# Number of dimensions 3 #INAME 1 1H #INAME 2 1H #INAME 3 13C 1 4.491 4.482 55.974 1 U 2.294e+05 0.00e+00 m 0 4 4 3 0 2 4.491 2.097 55.974 1 U 2.952e+03 0.00e+00 m 0 4 6 3 0 3 4.491 1.995 55.974 1 U 2.221e+03 0.00e+00 m 0 4 7 3 0 4 4.491 2.594 55.974 1 U 1.245e+03 0.00e+00 m 0 4 10 3 0 5 4.491 2.542 55.974 1 U 1.957e+03 0.00e+00 m 0 4 11 3 0 6 2.106 4.482 32.803 1 U 8.490e+02 0.00e+00 m 0 6 4 5 0 7 2.106 2.097 32.803 1 U 1.063e+05 0.00e+00 m 0 6 6 5 0 8 2.106 1.995 32.803 1 U 9.384e+04 0.00e+00 m 0 6 7 5 0 9 2.106 2.594 32.803 1 U 5.616e+03 0.00e+00 m 0 6 10 5 0 10 2.106 2.542 32.803 1 U 8.305e+03 0.00e+00 m 0 6 11 5 0 11 2.004 4.482 32.803 1 U 7.720e+02 0.00e+00 m 0 7 4 5 0 12 2.004 2.097 32.803 1 U 1.014e+05 0.00e+00 m 0 7 6 5 0 13 2.004 1.995 32.803 1 U 1.085e+05 0.00e+00 m 0 7 7 5 0 14 2.004 2.594 32.803 1 U 4.766e+03 0.00e+00 m 0 7 10 5 0 15 2.004 2.542 32.803 1 U 5.511e+03 0.00e+00 m 0 7 11 5 0 16 2.603 4.482 32.462 1 U 5.630e+02 0.00e+00 m 0 10 4 9 0 17 2.603 2.097 32.462 2 U 1.316e+04 0.00e+00 m 0 142 139 140 0 18 2.603 1.995 32.462 1 U 9.994e+03 0.00e+00 m 0 10 7 9 0 19 2.603 2.594 32.462 1 U 1.345e+05 0.00e+00 m 0 10 10 9 0 20 2.603 2.542 32.462 1 U 1.582e+05 0.00e+00 m 0 10 11 9 0 21 2.551 4.482 32.462 1 U 6.280e+02 0.00e+00 m 0 11 4 9 0 22 2.551 2.097 32.462 1 U 1.046e+04 0.00e+00 m 0 11 6 9 0 23 2.551 1.995 32.462 1 U 8.487e+03 0.00e+00 m 0 11 7 9 0 24 2.551 2.594 32.462 1 U 1.274e+05 0.00e+00 m 0 11 10 9 0 25 2.551 2.542 32.462 1 U 1.256e+05 0.00e+00 m 0 11 11 9 0 26 4.310 4.301 52.927 1 U 1.815e+05 0.00e+00 m 0 22 22 21 0 27 4.310 1.377 52.927 1 U 8.907e+03 0.00e+00 m 0 22 23 21 0 28 1.386 4.301 60.732 1 U -7.669e+03 0.00e+00 m 0 23 22 24 0 29 1.386 1.377 60.732 1 U -6.756e+05 0.00e+00 m 0 23 23 24 0 30 4.648 4.639 54.704 1 U 1.391e+05 0.00e+00 m 0 32 32 31 0 31 4.648 2.684 54.704 1 U 7.782e+03 0.00e+00 m 0 32 36 31 0 32 2.693 4.639 41.692 1 U 2.988e+03 0.00e+00 m 0 36 32 33 0 33 2.693 2.684 41.692 1 U 1.112e+05 0.00e+00 m 0 36 36 33 0 34 4.335 4.326 61.613 1 U 1.376e+05 0.00e+00 m 0 42 42 41 0 35 4.335 4.321 61.613 1 U 1.376e+05 0.00e+00 m 0 42 42 41 0 36 4.335 1.174 61.613 1 U 7.976e+03 0.00e+00 m 0 42 45 41 0 37 4.330 4.326 28.595 1 U -1.503e+05 0.00e+00 m 0 44 44 43 0 38 4.330 4.321 28.595 1 U -1.503e+05 0.00e+00 m 0 44 44 43 0 39 4.330 1.174 28.595 1 U -1.552e+04 0.00e+00 m 0 44 45 43 0 40 1.183 4.326 63.231 1 U -2.429e+04 0.00e+00 m 0 45 44 47 0 41 1.183 4.321 63.231 1 U -2.429e+04 0.00e+00 m 0 45 44 47 0 42 1.183 1.174 63.231 1 U -8.751e+05 0.00e+00 m 0 45 45 47 0 43 3.918 3.909 45.500 1 U 6.026e+04 0.00e+00 m 0 56 56 54 0 44 4.437 4.428 57.175 1 U 3.190e+04 0.00e+00 m 0 62 62 61 0 45 4.437 1.913 57.175 1 U 5.937e+03 0.00e+00 m 0 62 66 61 0 46 4.437 2.187 57.175 1 U 3.777e+03 0.00e+00 m 0 62 70 61 0 47 1.922 4.428 30.934 1 U 3.590e+03 0.00e+00 m 0 66 62 63 0 48 1.922 1.913 30.934 1 U 8.882e+04 0.00e+00 m 0 66 66 63 0 49 1.922 2.187 30.934 1 U 1.181e+04 0.00e+00 m 0 66 70 63 0 50 2.196 4.428 36.688 1 U 4.391e+03 0.00e+00 m 0 70 62 67 0 51 2.196 1.913 36.688 1 U 1.691e+04 0.00e+00 m 0 70 66 67 0 52 2.196 2.187 36.688 1 U 1.409e+05 0.00e+00 m 0 70 70 67 0 53 4.486 4.477 60.585 1 U 1.613e+04 0.00e+00 m 0 76 76 75 0 54 4.486 1.873 60.585 1 U 3.669e+03 0.00e+00 m 0 76 78 75 0 55 4.486 0.294 60.585 1 U 3.618e+03 0.00e+00 m 0 76 79 75 0 56 4.486 0.491 60.585 1 U 9.740e+02 0.00e+00 m 0 76 80 75 0 57 1.882 4.477 34.225 1 U 3.024e+03 0.00e+00 m 0 78 76 77 0 58 1.882 1.873 34.225 1 U 2.548e+04 0.00e+00 m 0 78 78 77 0 59 1.882 0.294 34.225 1 U 5.768e+03 0.00e+00 m 0 78 79 77 0 60 1.882 0.491 34.225 1 U 4.897e+03 0.00e+00 m 0 78 80 77 0 61 0.303 4.477 63.555 1 U -6.443e+03 0.00e+00 m 0 79 76 81 0 62 0.303 1.873 63.555 1 U -9.180e+03 0.00e+00 m 0 79 78 81 0 63 0.303 0.294 63.555 1 U -1.900e+05 0.00e+00 m 0 79 79 81 0 64 0.303 0.491 63.555 1 U -1.595e+04 0.00e+00 m 0 79 80 81 0 65 0.500 4.477 60.965 1 U -2.542e+03 0.00e+00 m 0 80 76 85 0 66 0.500 1.873 60.965 1 U -5.889e+03 0.00e+00 m 0 80 78 85 0 67 0.500 0.294 60.965 1 U -1.285e+04 0.00e+00 m 0 80 79 85 0 68 0.500 0.491 60.965 1 U -9.294e+04 0.00e+00 m 0 80 80 85 0 69 6.216 6.207 54.043 1 U 6.516e+03 0.00e+00 m 0 94 94 93 0 70 6.216 2.384 54.043 1 U 7.620e+02 0.00e+00 m 0 94 96 93 0 71 6.216 2.238 54.043 1 U 1.327e+03 0.00e+00 m 0 94 97 93 0 72 6.216 2.134 54.043 1 U 3.908e+03 0.00e+00 m 0 94 102 93 0 73 2.393 6.207 32.920 1 U 9.770e+02 0.00e+00 m 0 96 94 95 0 74 2.393 2.384 32.920 1 U 2.304e+04 0.00e+00 m 0 96 96 95 0 75 2.393 2.238 32.920 1 U 1.582e+04 0.00e+00 m 0 96 97 95 0 76 2.393 2.134 32.920 1 U 8.430e+03 0.00e+00 m 0 96 102 95 0 77 2.247 6.207 32.920 1 U 9.070e+02 0.00e+00 m 0 97 94 95 0 78 2.247 2.384 32.920 1 U 1.176e+04 0.00e+00 m 0 97 96 95 0 79 2.247 2.238 32.920 1 U 2.073e+04 0.00e+00 m 0 97 97 95 0 80 2.247 2.134 32.920 1 U 8.623e+03 0.00e+00 m 0 97 102 95 0 81 2.143 6.207 34.422 1 U 1.826e+03 0.00e+00 m 0 102 94 99 0 82 2.143 2.384 34.422 1 U 5.254e+03 0.00e+00 m 0 102 96 99 0 83 2.143 2.238 34.422 1 U 5.174e+03 0.00e+00 m 0 102 97 99 0 84 2.143 2.134 34.422 1 U 1.691e+04 0.00e+00 m 0 102 102 99 0 85 5.018 5.010 57.405 1 U 5.841e+03 0.00e+00 m 0 112 112 111 0 86 5.018 3.081 57.405 1 U 2.383e+03 0.00e+00 m 0 112 114 111 0 87 5.018 2.936 57.405 1 U 1.339e+03 0.00e+00 m 0 112 115 111 0 88 3.090 5.010 41.543 1 U 8.730e+02 0.00e+00 m 0 114 112 113 0 89 3.090 3.081 41.543 1 U 4.260e+03 0.00e+00 m 0 114 114 113 0 90 3.090 2.936 41.543 1 U 3.169e+03 0.00e+00 m 0 114 115 113 0 91 2.945 5.010 41.543 1 U 1.229e+03 0.00e+00 m 0 115 112 113 0 92 2.945 3.081 41.543 1 U 3.333e+03 0.00e+00 m 0 115 114 113 0 93 2.945 2.936 41.543 1 U 2.282e+04 0.00e+00 m 0 115 115 113 0 94 5.829 5.820 53.841 1 U 8.067e+03 0.00e+00 m 0 135 135 134 0 95 5.829 2.113 53.841 1 U 3.462e+03 0.00e+00 m 0 135 139 134 0 96 5.829 2.583 53.841 1 U 1.610e+03 0.00e+00 m 0 135 142 134 0 97 2.122 5.820 35.950 1 U 2.403e+03 0.00e+00 m 0 139 135 136 0 98 2.122 2.113 35.950 1 U 3.004e+04 0.00e+00 m 0 139 139 136 0 99 2.122 2.583 35.950 1 U 3.959e+03 0.00e+00 m 0 139 142 136 0 100 2.592 5.820 32.480 1 U 1.536e+03 0.00e+00 m 0 142 135 140 0 101 2.592 2.113 32.480 1 U 9.794e+03 0.00e+00 m 0 142 139 140 0 102 2.592 2.583 32.480 1 U 1.542e+05 0.00e+00 m 0 142 142 140 0 103 5.137 5.128 53.844 1 U 1.261e+04 0.00e+00 m 0 153 153 152 0 104 5.137 2.062 53.844 1 U 2.490e+03 0.00e+00 m 0 153 155 152 0 105 5.137 1.841 53.844 1 U 1.271e+03 0.00e+00 m 0 153 156 152 0 106 5.137 1.652 53.844 1 U 2.451e+03 0.00e+00 m 0 153 165 152 0 107 5.137 2.979 53.844 1 U -7.290e+02 0.00e+00 m 0 153 169 152 0 108 2.071 5.128 37.335 1 U 1.219e+03 0.00e+00 m 0 155 153 154 0 109 2.071 2.062 37.335 1 U 1.248e+04 0.00e+00 m 0 155 155 154 0 110 2.071 1.841 37.335 1 U 9.316e+03 0.00e+00 m 0 155 156 154 0 111 2.071 1.652 37.335 1 U 5.335e+03 0.00e+00 m 0 155 165 154 0 112 2.071 2.979 37.335 1 U 7.810e+02 0.00e+00 m 0 155 169 154 0 113 1.849 5.128 37.335 1 U 1.688e+03 0.00e+00 m 0 156 153 154 0 114 1.849 2.062 37.335 1 U 1.025e+04 0.00e+00 m 0 156 155 154 0 115 1.849 1.841 37.335 1 U 2.140e+04 0.00e+00 m 0 156 156 154 0 117 1.849 2.979 37.335 1 U 6.880e+02 0.00e+00 m 0 156 169 154 0 118 2.988 5.128 42.191 1 U 4.730e+02 0.00e+00 m 0 169 153 166 0 119 2.988 2.062 42.191 1 U 3.088e+03 0.00e+00 m 0 169 155 166 0 120 2.988 1.841 42.191 2 U 6.363e+03 0.00e+00 m 0 1257 1245 1254 0 121 2.988 1.652 42.191 1 U 3.966e+04 0.00e+00 m 0 169 165 166 0 122 2.988 2.979 42.191 2 U 7.744e+05 0.00e+00 m 0 1257 1257 1254 0 123 3.885 4.279 51.254 1 U 3.520e+02 0.00e+00 m 0 190 179 177 0 124 3.885 1.643 51.254 1 U 3.108e+03 0.00e+00 m 0 190 183 177 0 125 3.885 2.039 51.254 1 U 3.840e+03 0.00e+00 m 0 190 187 177 0 126 3.885 3.876 51.254 1 U 1.618e+04 0.00e+00 m 0 190 190 177 0 127 4.279 4.279 62.813 1 U 1.463e+04 0.00e+00 m 0 179 179 178 0 128 4.279 1.643 62.813 1 U 1.570e+03 0.00e+00 m 0 179 183 178 0 129 4.279 2.039 62.813 1 U 2.944e+03 0.00e+00 m 0 179 187 178 0 130 4.279 3.876 62.813 1 U 5.460e+02 0.00e+00 m 0 179 190 178 0 131 1.652 4.279 32.300 1 U 1.401e+03 0.00e+00 m 0 183 179 180 0 132 1.652 1.643 32.300 1 U 8.339e+03 0.00e+00 m 0 183 183 180 0 133 1.652 2.039 32.300 1 U 8.703e+03 0.00e+00 m 0 183 187 180 0 134 1.652 3.876 32.300 1 U 1.307e+03 0.00e+00 m 0 183 190 180 0 135 2.039 4.279 27.300 1 U 1.928e+03 0.00e+00 m 0 187 179 184 0 136 2.039 1.643 27.300 1 U 4.840e+03 0.00e+00 m 0 187 183 184 0 137 2.039 2.039 27.300 1 U 5.296e+04 0.00e+00 m 0 187 187 184 0 138 2.039 3.876 27.300 1 U 4.902e+03 0.00e+00 m 0 187 190 184 0 139 4.238 4.229 59.347 1 U 5.688e+03 0.00e+00 m 0 195 195 194 0 140 4.238 3.129 59.347 1 U 6.190e+02 0.00e+00 m 0 195 197 194 0 141 4.238 2.553 59.347 1 U 8.420e+02 0.00e+00 m 0 195 198 194 0 142 3.138 4.229 39.769 1 U 6.250e+02 0.00e+00 m 0 197 195 196 0 143 3.138 3.129 39.769 1 U 7.442e+03 0.00e+00 m 0 197 197 196 0 144 3.138 2.553 39.769 1 U 2.096e+03 0.00e+00 m 0 197 198 196 0 145 2.562 4.229 39.769 1 U 1.131e+03 0.00e+00 m 0 198 195 196 0 146 2.562 3.129 39.769 1 U 2.498e+03 0.00e+00 m 0 198 197 196 0 147 2.562 2.553 39.769 1 U 6.130e+03 0.00e+00 m 0 198 198 196 0 148 4.352 4.343 58.868 1 U 1.171e+04 0.00e+00 m 0 218 218 217 0 149 4.352 1.729 58.868 1 U 1.222e+03 0.00e+00 m 0 218 220 217 0 150 4.352 0.944 58.868 1 U 2.634e+03 0.00e+00 m 0 218 221 217 0 151 4.352 1.317 58.868 1 U 1.456e+03 0.00e+00 m 0 218 227 217 0 152 4.352 1.092 58.868 1 U 5.410e+02 0.00e+00 m 0 218 228 217 0 153 4.352 0.815 58.868 1 U 1.854e+03 0.00e+00 m 0 218 230 217 0 154 1.738 4.343 38.954 1 U 7.880e+02 0.00e+00 m 0 220 218 219 0 155 1.738 1.729 38.954 1 U 9.521e+03 0.00e+00 m 0 220 220 219 0 156 1.738 0.944 38.954 1 U 3.410e+03 0.00e+00 m 0 220 221 219 0 157 1.738 1.317 38.954 1 U 2.300e+03 0.00e+00 m 0 220 2e+03 0.00e+00 m 0 106 103 0 21 7.324 3.141 1 U -3.270e+02 0.00e+00 m 0 107 103 0 22 8.520 3.136 1 U -2.570e+02 0.00e+00 m 0 99 103 0 # 23 8.677 3.147 1 U -2.710e+02 0.00e+00 m 0 53 57 0 # 24 8.535 4.448 1 U -9.140e+02 0.00e+00 m 0 90 64 0 # 25 8.535 2.859 1 U -3.330e+02 0.00e+00 m 0 90 95 0 # 26 8.537 4.845 1 U -5.290e+02 0.00e+00 m 0 90 92 0 # 27 8.868 4.451 1 U -2.830e+02 0.00e+00 m 0 62 64 0 HEADER Structure from MOLMOL COMPND frcrcf001 MODEL 1 ATOM 1 N PHE 1 -7.314 -3.469 -0.511 1.00 0.00 ATOM 2 H PHE 1 -6.858 -3.877 0.280 1.00 0.00 ATOM 3 CA PHE 1 -6.426 -2.841 -1.475 1.00 0.00 ATOM 4 HA PHE 1 -5.611 -3.540 -1.666 1.00 0.00 ATOM 5 CB PHE 1 -7.262 -2.534 -2.719 1.00 0.00 ATOM 6 1HB PHE 1 -6.604 -2.156 -3.502 1.00 0.00 ATOM 7 2HB PHE 1 -7.698 -3.462 -3.089 1.00 0.00 ATOM 8 QB PHE 1 -7.151 -2.809 -3.296 1.00 0.00 ATOM 9 QD PHE 1 -8.482 -1.431 -2.460 1.00 0.00 ATOM 10 QE PHE 1 -10.321 0.232 -2.070 1.00 0.00 ATOM 11 QR PHE 1 -9.765 -0.271 -2.188 1.00 0.00 ATOM 12 CG PHE 1 -8.383 -1.521 -2.481 1.00 0.00 ATOM 13 CD1 PHE 1 -9.448 -1.855 -1.705 1.00 0.00 ATOM 14 1HD PHE 1 -9.504 -2.845 -1.252 1.00 0.00 ATOM 15 CE1 PHE 1 -10.489 -0.914 -1.484 1.00 0.00 ATOM 16 1HE PHE 1 -11.343 -1.182 -0.862 1.00 0.00 ATOM 17 CZ PHE 1 -10.420 0.321 -2.049 1.00 0.00 ATOM 18 HZ PHE 1 -11.218 1.043 -1.879 1.00 0.00 ATOM 19 CE2 PHE 1 -9.354 0.655 -2.825 1.00 0.00 ATOM 20 2HE PHE 1 -9.299 1.646 -3.277 1.00 0.00 ATOM 21 CD2 PHE 1 -8.314 -0.285 -3.045 1.00 0.00 ATOM 22 2HD PHE 1 -7.460 -0.017 -3.668 1.00 0.00 ATOM 23 C PHE 1 -5.855 -1.534 -0.923 1.00 0.00 ATOM 24 O PHE 1 -6.369 -0.455 -1.216 1.00 0.00 ATOM 25 N ARG+ 2 -4.799 -1.672 -0.135 1.00 0.00 ATOM 26 H ARG+ 2 -4.387 -2.553 0.098 1.00 0.00 ATOM 27 CA ARG+ 2 -4.152 -0.515 0.460 1.00 0.00 ATOM 28 HA ARG+ 2 -4.783 0.329 0.184 1.00 0.00 ATOM 29 CB ARG+ 2 -4.079 -0.648 1.983 1.00 0.00 ATOM 30 1HB ARG+ 2 -4.530 -1.590 2.292 1.00 0.00 ATOM 31 2HB ARG+ 2 -3.036 -0.675 2.300 1.00 0.00 ATOM 32 QB ARG+ 2 -3.783 -1.133 2.296 1.00 0.00 ATOM 33 CG ARG+ 2 -4.796 0.517 2.669 1.00 0.00 ATOM 34 1HG ARG+ 2 -4.255 1.444 2.481 1.00 0.00 ATOM 35 2HG ARG+ 2 -5.792 0.637 2.243 1.00 0.00 ATOM 36 QG ARG+ 2 -5.023 1.040 2.362 1.00 0.00 ATOM 37 CD ARG+ 2 -4.906 0.280 4.177 1.00 0.00 ATOM 38 1HD ARG+ 2 -5.419 -0.662 4.369 1.00 0.00 ATOM 39 2HD ARG+ 2 -3.911 0.197 4.614 1.00 0.00 ATOM 40 QD ARG+ 2 -4.665 -0.233 4.492 1.00 0.00 ATOM 41 NE ARG+ 2 -5.645 1.395 4.811 1.00 0.00 ATOM 42 HE ARG+ 2 -5.678 2.270 4.328 1.00 0.00 ATOM 43 CZ ARG+ 2 -6.271 1.305 5.992 1.00 0.00 ATOM 44 NH1 ARG+ 2 -6.917 2.369 6.491 1.00 0.00 ATOM 45 1HH1 ARG+ 2 -7.384 2.302 7.372 1.00 0.00 ATOM 46 2HH1 ARG+ 2 -6.930 3.229 5.982 1.00 0.00 ATOM 47 QH1 ARG+ 2 -7.157 2.765 6.677 1.00 0.00 ATOM 48 NH2 ARG+ 2 -6.253 0.152 6.675 1.00 0.00 ATOM 49 1HH2 ARG+ 2 -6.721 0.085 7.556 1.00 0.00 ATOM 50 2HH2 ARG+ 2 -5.772 -0.641 6.302 1.00 0.00 ATOM 51 QH2 ARG+ 2 -6.246 -0.278 6.929 1.00 0.00 ATOM 52 C ARG+ 2 -2.737 -0.352 -0.099 1.00 0.00 ATOM 53 O ARG+ 2 -2.262 0.768 -0.277 1.00 0.00 ATOM 54 N CYSS 3 -2.104 -1.486 -0.361 1.00 0.00 ATOM 55 H CYSS 3 -2.498 -2.393 -0.213 1.00 0.00 ATOM 56 CA CYSS 3 -0.753 -1.483 -0.896 1.00 0.00 ATOM 57 HA CYSS 3 -0.463 -2.526 -1.018 1.00 0.00 ATOM 58 CB CYSS 3 -0.694 -0.828 -2.278 1.00 0.00 ATOM 59 1HB CYSS 3 -1.352 -1.375 -2.952 1.00 0.00 ATOM 60 2HB CYSS 3 -1.087 0.186 -2.201 1.00 0.00 ATOM 61 QB CYSS 3 -1.220 -0.595 -2.576 1.00 0.00 ATOM 62 SG CYSS 3 0.977 -0.754 -3.020 1.00 0.00 ATOM 63 C CYSS 3 0.160 -0.779 0.109 1.00 0.00 ATOM 64 O CYSS 3 0.077 0.436 0.284 1.00 0.00 ATOM 65 N ARG+ 4 1.011 -1.571 0.743 1.00 0.00 ATOM 66 H ARG+ 4 1.073 -2.559 0.595 1.00 0.00 ATOM 67 CA ARG+ 4 1.940 -1.039 1.726 1.00 0.00 ATOM 68 HA ARG+ 4 1.315 -0.753 2.573 1.00 0.00 ATOM 69 CB ARG+ 4 2.958 -2.098 2.153 1.00 0.00 ATOM 70 1HB ARG+ 4 3.795 -1.620 2.661 1.00 0.00 ATOM 71 2HB ARG+ 4 2.500 -2.782 2.867 1.00 0.00 ATOM 72 QB ARG+ 4 3.147 -2.201 2.764 1.00 0.00 ATOM 73 CG ARG+ 4 3.470 -2.884 0.944 1.00 0.00 ATOM 74 1HG ARG+ 4 2.994 -2.513 0.036 1.00 0.00 ATOM 75 2HG ARG+ 4 4.542 -2.724 0.829 1.00 0.00 ATOM 76 QG ARG+ 4 3.768 -2.619 0.433 1.00 0.00 ATOM 77 CD ARG+ 4 3.186 -4.379 1.101 1.00 0.00 ATOM 78 1HD ARG+ 4 2.901 -4.597 2.130 1.00 0.00 ATOM 79 2HD ARG+ 4 2.346 -4.667 0.470 1.00 0.00 ATOM 80 QD ARG+ 4 2.623 -4.632 1.300 1.00 0.00 ATOM 81 NE ARG+ 4 4.386 -5.164 0.733 1.00 0.00 ATOM 82 HE ARG+ 4 4.403 -5.600 -0.166 1.00 0.00 ATOM 83 CZ ARG+ 4 5.451 -5.326 1.530 1.00 0.00 ATOM 84 NH1 ARG+ 4 6.495 -6.055 1.112 1.00 0.00 ATOM 85 1HH1 ARG+ 4 7.290 -6.175 1.707 1.00 0.00 ATOM 86 2HH1 ARG+ 4 6.480 -6.478 0.207 1.00 0.00 ATOM 87 QH1 ARG+ 4 6.885 -6.327 0.957 1.00 0.00 ATOM 88 NH2 ARG+ 4 5.472 -4.759 2.744 1.00 0.00 ATOM 89 1HH2 ARG+ 4 6.268 -4.879 3.338 1.00 0.00 ATOM 90 2HH2 ARG+ 4 4.693 -4.215 3.055 1.00 0.00 ATOM 91 QH2 ARG+ 4 5.480 -4.547 3.197 1.00 0.00 ATOM 92 C ARG+ 4 2.681 0.171 1.155 1.00 0.00 ATOM 93 O ARG+ 4 3.155 1.023 1.905 1.00 0.00 ATOM 94 N DCYS 5 2.758 0.208 -0.167 1.00 0.00 ATOM 95 H DCYS 5 2.370 -0.489 -0.769 1.00 0.00 ATOM 96 CA DCYS 5 3.434 1.300 -0.847 1.00 0.00 ATOM 97 HA DCYS 5 3.306 2.184 -0.223 1.00 0.00 ATOM 98 CB DCYS 5 2.796 1.602 -2.204 1.00 0.00 ATOM 99 2HB DCYS 5 3.060 0.806 -2.900 1.00 0.00 ATOM 100 3HB DCYS 5 3.227 2.524 -2.595 1.00 0.00 ATOM 101 QB DCYS 5 3.144 1.665 -2.747 1.00 0.00 ATOM 102 SG DCYS 5 0.974 1.774 -2.174 1.00 0.00 ATOM 103 C DCYS 5 4.915 0.939 -0.981 1.00 0.00 ATOM 104 O DCYS 5 5.287 -0.227 -0.858 1.00 0.00 ATOM 105 N PHE 6 5.720 1.961 -1.231 1.00 0.00 ATOM 106 H PHE 6 5.410 2.906 -1.330 1.00 0.00 ATOM 107 CA PHE 6 7.152 1.766 -1.383 1.00 0.00 ATOM 108 HA PHE 6 7.373 0.743 -1.078 1.00 0.00 ATOM 109 CB PHE 6 7.488 2.044 -2.850 1.00 0.00 ATOM 110 1HB PHE 6 8.483 1.653 -3.064 1.00 0.00 ATOM 111 2HB PHE 6 6.788 1.497 -3.482 1.00 0.00 ATOM 112 QB PHE 6 7.636 1.575 -3.273 1.00 0.00 ATOM 113 QD PHE 6 7.441 3.656 -3.261 1.00 0.00 ATOM 114 QE PHE 6 7.371 6.087 -3.882 1.00 0.00 ATOM 115 QR PHE 6 7.392 5.352 -3.694 1.00 0.00 ATOM 116 CG PHE 6 7.445 3.526 -3.228 1.00 0.00 ATOM 117 CD1 PHE 6 8.530 4.316 -3.006 1.00 0.00 ATOM 118 1HD PHE 6 9.430 3.893 -2.559 1.00 0.00 ATOM 119 CE1 PHE 6 8.490 5.691 -3.357 1.00 0.00 ATOM 120 1HE PHE 6 9.359 6.324 -3.180 1.00 0.00 ATOM 121 CZ PHE 6 7.367 6.218 -3.915 1.00 0.00 ATOM 122 HZ PHE 6 7.336 7.274 -4.185 1.00 0.00 ATOM 123 CE2 PHE 6 6.282 5.428 -4.136 1.00 0.00 ATOM 124 2HE PHE 6 5.382 5.851 -4.583 1.00 0.00 ATOM 125 CD2 PHE 6 6.322 4.053 -3.785 1.00 0.00 ATOM 126 2HD PHE 6 5.453 3.420 -3.963 1.00 0.00 ATOM 127 C PHE 6 7.935 2.739 -0.500 1.00 0.00 ATOM 128 O PHE 6 7.357 3.656 0.083 1.00 0.00 ATOM 129 N CONH 7 9.237 2.507 -0.427 1.00 0.00 ATOM 130 1HN CONH 7 9.637 1.740 -0.929 1.00 0.00 ATOM 131 2HN CONH 7 9.820 3.098 0.130 1.00 0.00 TER ENDMDL MODEL 2 ATOM 1 N PHE 1 -6.327 -1.733 2.355 1.00 0.00 ATOM 2 H PHE 1 -6.460 -1.322 3.257 1.00 0.00 ATOM 3 CA PHE 1 -5.022 -1.497 1.760 1.00 0.00 ATOM 4 HA PHE 1 -4.906 -0.419 1.652 1.00 0.00 ATOM 5 CB PHE 1 -3.985 -2.125 2.692 1.00 0.00 ATOM 6 1HB PHE 1 -4.502 -2.700 3.460 1.00 0.00 ATOM 7 2HB PHE 1 -3.377 -2.828 2.123 1.00 0.00 ATOM 8 QB PHE 1 -3.940 -2.764 2.791 1.00 0.00 ATOM 9 QD PHE 1 -2.981 -1.020 3.430 1.00 0.00 ATOM 10 QE PHE 1 -1.468 0.646 4.542 1.00 0.00 ATOM 11 QR PHE 1 -1.926 0.142 4.206 1.00 0.00 ATOM 12 CG PHE 1 -3.063 -1.109 3.370 1.00 0.00 ATOM 13 CD1 PHE 1 -3.443 -0.515 4.533 1.00 0.00 ATOM 14 1HD PHE 1 -4.406 -0.762 4.981 1.00 0.00 ATOM 15 CE1 PHE 1 -2.588 0.428 5.162 1.00 0.00 ATOM 16 1HE PHE 1 -2.893 0.904 6.093 1.00 0.00 ATOM 17 CZ PHE 1 -1.387 0.736 4.602 1.00 0.00 ATOM 18 HZ PHE 1 -0.730 1.459 5.085 1.00 0.00 ATOM 19 CE2 PHE 1 -1.006 0.141 3.439 1.00 0.00 ATOM 20 2HE PHE 1 -0.044 0.388 2.991 1.00 0.00 ATOM 21 CD2 PHE 1 -1.862 -0.801 2.810 1.00 0.00 ATOM 22 2HD PHE 1 -1.557 -1.278 1.879 1.00 0.00 ATOM 23 C PHE 1 -4.920 -2.159 0.384 1.00 0.00 ATOM 24 O PHE 1 -5.066 -3.374 0.263 1.00 0.00 ATOM 25 N ARG+ 2 -4.671 -1.330 -0.619 1.00 0.00 ATOM 26 H ARG+ 2 -4.555 -0.342 -0.513 1.00 0.00 ATOM 27 CA ARG+ 2 -4.548 -1.819 -1.982 1.00 0.00 ATOM 28 HA ARG+ 2 -5.116 -2.749 -1.996 1.00 0.00 ATOM 29 CB ARG+ 2 -5.138 -0.821 -2.981 1.00 0.00 ATOM 30 1HB ARG+ 2 -5.967 -0.285 -2.518 1.00 0.00 ATOM 31 2HB ARG+ 2 -4.386 -0.078 -3.245 1.00 0.00 ATOM 32 QB ARG+ 2 -5.177 -0.182 -2.882 1.00 0.00 ATOM 33 CG ARG+ 2 -5.626 -1.534 -4.244 1.00 0.00 ATOM 34 1HG ARG+ 2 -4.771 -1.837 -4.848 1.00 0.00 ATOM 35 2HG ARG+ 2 -6.161 -2.443 -3.969 1.00 0.00 ATOM 36 QG ARG+ 2 -5.466 -2.140 -4.409 1.00 0.00 ATOM 37 CD ARG+ 2 -6.542 -0.626 -5.067 1.00 0.00 ATOM 38 1HD ARG+ 2 -7.077 -1.214 -5.811 1.00 0.00 ATOM 39 2HD ARG+ 2 -7.293 -0.171 -4.420 1.00 0.00 ATOM 40 QD ARG+ 2 -7.185 -0.692 -5.116 1.00 0.00 ATOM 41 NE ARG+ 2 -5.744 0.428 -5.733 1.00 0.00 ATOM 42 HE ARG+ 2 -5.790 1.356 -5.362 1.00 0.00 ATOM 43 CZ ARG+ 2 -4.965 0.217 -6.802 1.00 0.00 ATOM 44 NH1 ARG+ 2 -4.277 1.232 -7.341 1.00 0.00 ATOM 45 1HH1 ARG+ 2 -3.695 1.075 -8.139 1.00 0.00 ATOM 46 2HH1 ARG+ 2 -4.345 2.148 -6.945 1.00 0.00 ATOM 47 QH1 ARG+ 2 -4.020 1.612 -7.542 1.00 0.00 ATOM 48 NH2 ARG+ 2 -4.873 -1.011 -7.332 1.00 0.00 ATOM 49 1HH2 ARG+ 2 -4.291 -1.168 -8.130 1.00 0.00 ATOM 50 2HH2 ARG+ 2 -5.386 -1.769 -6.930 1.00 0.00 ATOM 51 QH2 ARG+ 2 -4.839 -1.468 -7.530 1.00 0.00 ATOM 52 C ARG+ 2 -3.078 -2.066 -2.326 1.00 0.00 ATOM 53 O ARG+ 2 -2.759 -2.987 -3.076 1.00 0.00 ATOM 54 N CYSS 3 -2.222 -1.226 -1.762 1.00 0.00 ATOM 55 H CYSS 3 -2.490 -0.480 -1.152 1.00 0.00 ATOM 56 CA CYSS 3 -0.793 -1.342 -2.000 1.00 0.00 ATOM 57 HA CYSS 3 -0.583 -2.403 -2.134 1.00 0.00 ATOM 58 CB CYSS 3 -0.375 -0.628 -3.287 1.00 0.00 ATOM 59 1HB CYSS 3 -0.784 -1.173 -4.137 1.00 0.00 ATOM 60 2HB CYSS 3 -0.824 0.365 -3.297 1.00 0.00 ATOM 61 QB CYSS 3 -0.804 -0.404 -3.717 1.00 0.00 ATOM 62 SG CYSS 3 1.433 -0.456 -3.515 1.00 0.00 ATOM 63 C CYSS 3 -0.057 -0.792 -0.776 1.00 0.00 ATOM 64 O CYSS 3 -0.186 0.386 -0.447 1.00 0.00 ATOM 65 N ARG+ 4 0.700 -1.672 -0.137 1.00 0.00 ATOM 66 H ARG+ 4 0.800 -2.628 -0.411 1.00 0.00 ATOM 67 CA ARG+ 4 1.458 -1.289 1.043 1.00 0.00 ATOM 68 HA ARG+ 4 0.710 -1.167 1.826 1.00 0.00 ATOM 69 CB ARG+ 4 2.460 -2.378 1.430 1.00 0.00 ATOM 70 1HB ARG+ 4 2.112 -3.344 1.066 1.00 0.00 ATOM 71 2HB ARG+ 4 3.419 -2.183 0.950 1.00 0.00 ATOM 72 QB ARG+ 4 2.766 -2.764 1.008 1.00 0.00 ATOM 73 CG ARG+ 4 2.647 -2.436 2.948 1.00 0.00 ATOM 74 1HG ARG+ 4 1.851 -1.875 3.438 1.00 0.00 ATOM 75 2HG ARG+ 4 2.566 -3.468 3.289 1.00 0.00 ATOM 76 QG ARG+ 4 2.209 -2.672 3.363 1.00 0.00 ATOM 77 CD ARG+ 4 4.006 -1.864 3.355 1.00 0.00 ATOM 78 1HD ARG+ 4 4.698 -2.675 3.582 1.00 0.00 ATOM 79 2HD ARG+ 4 4.436 -1.300 2.527 1.00 0.00 ATOM 80 QD ARG+ 4 4.567 -1.988 3.054 1.00 0.00 ATOM 81 NE ARG+ 4 3.853 -0.987 4.537 1.00 0.00 ATOM 82 HE ARG+ 4 4.094 -0.021 4.439 1.00 0.00 ATOM 83 CZ ARG+ 4 3.411 -1.405 5.731 1.00 0.00 ATOM 84 NH1 ARG+ 4 3.303 -0.539 6.747 1.00 0.00 ATOM 85 1HH1 ARG+ 4 2.973 -0.851 7.638 1.00 0.00 ATOM 86 2HH1 ARG+ 4 3.553 0.421 6.615 1.00 0.00 ATOM 87 QH1 ARG+ 4 3.263 -0.215 7.126 1.00 0.00 ATOM 88 NH2 ARG+ 4 3.076 -2.691 5.909 1.00 0.00 ATOM 89 1HH2 ARG+ 4 2.747 -3.003 6.800 1.00 0.00 ATOM 90 2HH2 ARG+ 4 3.157 -3.338 5.150 1.00 0.00 ATOM 91 QH2 ARG+ 4 2.952 -3.170 5.975 1.00 0.00 ATOM 92 C ARG+ 4 2.209 0.019 0.790 1.00 0.00 ATOM 93 O ARG+ 4 2.376 0.829 1.700 1.00 0.00 ATOM 94 N DCYS 5 2.642 0.186 -0.452 1.00 0.00 ATOM 95 H DCYS 5 2.502 -0.478 -1.186 1.00 0.00 ATOM 96 CA DCYS 5 3.371 1.382 -0.836 1.00 0.00 ATOM 97 HA DCYS 5 3.136 2.144 -0.093 1.00 0.00 ATOM 98 CB DCYS 5 2.911 1.913 -2.195 1.00 0.00 ATOM 99 2HB DCYS 5 3.350 1.295 -2.978 1.00 0.00 ATOM 100 3HB DCYS 5 3.304 2.922 -2.327 1.00 0.00 ATOM 101 QB DCYS 5 3.327 2.108 -2.653 1.00 0.00 ATOM 102 SG DCYS 5 1.097 1.955 -2.429 1.00 0.00 ATOM 103 C DCYS 5 4.866 1.057 -0.826 1.00 0.00 ATOM 104 O DCYS 5 5.251 -0.111 -0.824 1.00 0.00 ATOM 105 N PHE 6 5.669 2.112 -0.821 1.00 0.00 ATOM 106 H PHE 6 5.347 3.059 -0.822 1.00 0.00 ATOM 107 CA PHE 6 7.113 1.953 -0.811 1.00 0.00 ATOM 108 HA PHE 6 7.322 0.906 -0.593 1.00 0.00 ATOM 109 CB PHE 6 7.620 2.395 -2.186 1.00 0.00 ATOM 110 1HB PHE 6 6.765 2.556 -2.843 1.00 0.00 ATOM 111 2HB PHE 6 8.128 3.354 -2.083 1.00 0.00 ATOM 112 QB PHE 6 7.447 2.955 -2.463 1.00 0.00 ATOM 113 QD PHE 6 8.657 1.309 -2.906 1.00 0.00 ATOM 114 QE PHE 6 10.220 -0.327 -3.991 1.00 0.00 ATOM 115 QR PHE 6 9.748 0.168 -3.663 1.00 0.00 ATOM 116 CG PHE 6 8.573 1.397 -2.847 1.00 0.00 ATOM 117 CD1 PHE 6 9.911 1.479 -2.616 1.00 0.00 ATOM 118 1HD PHE 6 10.304 2.255 -1.959 1.00 0.00 ATOM 119 CE1 PHE 6 10.795 0.553 -3.230 1.00 0.00 ATOM 120 1HE PHE 6 11.867 0.618 -3.045 1.00 0.00 ATOM 121 CZ PHE 6 10.304 -0.415 -4.050 1.00 0.00 ATOM 122 HZ PHE 6 10.983 -1.126 -4.521 1.00 0.00 ATOM 123 CE2 PHE 6 8.967 -0.497 -4.281 1.00 0.00 ATOM 124 2HE PHE 6 8.573 -1.273 -4.938 1.00 0.00 ATOM 125 CD2 PHE 6 8.082 0.429 -3.667 1.00 0.00 ATOM 126 2HD PHE 6 7.010 0.364 -3.852 1.00 0.00 ATOM 127 C PHE 6 7.754 2.834 0.263 1.00 0.00 ATOM 128 O PHE 6 7.421 4.011 0.386 1.00 0.00 ATOM 129 N CONH 7 8.663 2.228 1.014 1.00 0.00 ATOM 130 1HN CONH 7 8.882 1.266 0.855 1.00 0.00 ATOM 131 2HN CONH 7 9.129 2.734 1.740 1.00 0.00 TER ENDMDL MODEL 3 ATOM 1 N PHE 1 -5.071 -4.635 0.280 1.00 0.00 ATOM 2 H PHE 1 -4.699 -5.288 -0.380 1.00 0.00 ATOM 3 CA PHE 1 -4.218 -3.492 0.559 1.00 0.00 ATOM 4 HA PHE 1 -4.556 -3.058 1.500 1.00 0.00 ATOM 5 CB PHE 1 -2.780 -4.009 0.616 1.00 0.00 ATOM 6 1HB PHE 1 -2.702 -4.905 -0.001 1.00 0.00 ATOM 7 2HB PHE 1 -2.118 -3.262 0.177 1.00 0.00 ATOM 8 QB PHE 1 -2.410 -4.083 0.088 1.00 0.00 ATOM 9 QD PHE 1 -2.248 -4.364 2.153 1.00 0.00 ATOM 10 QE PHE 1 -1.447 -4.900 4.471 1.00 0.00 ATOM 11 QR PHE 1 -1.689 -4.738 3.770 1.00 0.00 ATOM 12 CG PHE 1 -2.291 -4.336 2.028 1.00 0.00 ATOM 13 CD1 PHE 1 -1.493 -3.457 2.692 1.00 0.00 ATOM 14 1HD PHE 1 -1.202 -2.520 2.218 1.00 0.00 ATOM 15 CE1 PHE 1 -1.040 -3.760 4.003 1.00 0.00 ATOM 16 1HE PHE 1 -0.401 -3.055 4.535 1.00 0.00 ATOM 17 CZ PHE 1 -1.404 -4.929 4.595 1.00 0.00 ATOM 18 HZ PHE 1 -1.056 -5.161 5.602 1.00 0.00 ATOM 19 CE2 PHE 1 -2.202 -5.808 3.932 1.00 0.00 ATOM 20 2HE PHE 1 -2.494 -6.745 4.406 1.00 0.00 ATOM 21 CD2 PHE 1 -2.655 -5.505 2.620 1.00 0.00 ATOM 22 2HD PHE 1 -3.295 -6.209 2.088 1.00 0.00 ATOM 23 C PHE 1 -4.327 -2.444 -0.551 1.00 0.00 ATOM 24 O PHE 1 -4.215 -2.771 -1.732 1.00 0.00 ATOM 25 N ARG+ 2 -4.545 -1.206 -0.133 1.00 0.00 ATOM 26 H ARG+ 2 -4.635 -0.948 0.829 1.00 0.00 ATOM 27 CA ARG+ 2 -4.670 -0.108 -1.077 1.00 0.00 ATOM 28 HA ARG+ 2 -5.354 -0.476 -1.842 1.00 0.00 ATOM 29 CB ARG+ 2 -5.250 1.136 -0.401 1.00 0.00 ATOM 30 1HB ARG+ 2 -5.431 1.909 -1.148 1.00 0.00 ATOM 31 2HB ARG+ 2 -6.214 0.894 0.047 1.00 0.00 ATOM 32 QB ARG+ 2 -5.823 1.402 -0.550 1.00 0.00 ATOM 33 CG ARG+ 2 -4.301 1.669 0.674 1.00 0.00 ATOM 34 1HG ARG+ 2 -3.711 0.848 1.083 1.00 0.00 ATOM 35 2HG ARG+ 2 -3.600 2.374 0.228 1.00 0.00 ATOM 36 QG ARG+ 2 -3.656 1.611 0.655 1.00 0.00 ATOM 37 CD ARG+ 2 -5.077 2.356 1.800 1.00 0.00 ATOM 38 1HD ARG+ 2 -6.020 2.747 1.416 1.00 0.00 ATOM 39 2HD ARG+ 2 -5.325 1.632 2.576 1.00 0.00 ATOM 40 QD ARG+ 2 -5.672 2.190 1.996 1.00 0.00 ATOM 41 NE ARG+ 2 -4.270 3.455 2.374 1.00 0.00 ATOM 42 HE ARG+ 2 -4.013 3.394 3.338 1.00 0.00 ATOM 43 CZ ARG+ 2 -3.861 4.528 1.682 1.00 0.00 ATOM 44 NH1 ARG+ 2 -3.132 5.476 2.285 1.00 0.00 ATOM 45 1HH1 ARG+ 2 -2.827 6.276 1.769 1.00 0.00 ATOM 46 2HH1 ARG+ 2 -2.892 5.384 3.252 1.00 0.00 ATOM 47 QH1 ARG+ 2 -2.859 5.830 2.510 1.00 0.00 ATOM 48 NH2 ARG+ 2 -4.182 4.651 0.387 1.00 0.00 ATOM 49 1HH2 ARG+ 2 -3.877 5.452 -0.130 1.00 0.00 ATOM 50 2HH2 ARG+ 2 -4.726 3.944 -0.063 1.00 0.00 ATOM 51 QH2 ARG+ 2 -4.301 4.698 -0.097 1.00 0.00 ATOM 52 C ARG+ 2 -3.305 0.235 -1.676 1.00 0.00 ATOM 53 O ARG+ 2 -3.212 0.608 -2.844 1.00 0.00 ATOM 54 N CYSS 3 -2.280 0.098 -0.848 1.00 0.00 ATOM 55 H CYSS 3 -2.364 -0.206 0.101 1.00 0.00 ATOM 56 CA CYSS 3 -0.924 0.389 -1.282 1.00 0.00 ATOM 57 HA CYSS 3 -0.754 -0.190 -2.190 1.00 0.00 ATOM 58 CB CYSS 3 -0.750 1.865 -1.642 1.00 0.00 ATOM 59 1HB CYSS 3 -1.313 2.071 -2.553 1.00 0.00 ATOM 60 2HB CYSS 3 -1.190 2.473 -0.851 1.00 0.00 ATOM 61 QB CYSS 3 -1.251 2.272 -1.702 1.00 0.00 ATOM 62 SG CYSS 3 0.984 2.395 -1.893 1.00 0.00 ATOM 63 C CYSS 3 0.038 -0.045 -0.174 1.00 0.00 ATOM 64 O CYSS 3 0.008 0.501 0.928 1.00 0.00 ATOM 65 N ARG+ 4 0.869 -1.022 -0.505 1.00 0.00 ATOM 66 H ARG+ 4 0.887 -1.461 -1.404 1.00 0.00 ATOM 67 CA ARG+ 4 1.839 -1.536 0.448 1.00 0.00 ATOM 68 HA ARG+ 4 1.254 -2.137 1.144 1.00 0.00 ATOM 69 CB ARG+ 4 2.890 -2.403 -0.248 1.00 0.00 ATOM 70 1HB ARG+ 4 2.694 -2.427 -1.320 1.00 0.00 ATOM 71 2HB ARG+ 4 3.877 -1.961 -0.114 1.00 0.00 ATOM 72 QB ARG+ 4 3.285 -2.194 -0.717 1.00 0.00 ATOM 73 CG ARG+ 4 2.882 -3.827 0.310 1.00 0.00 ATOM 74 1HG ARG+ 4 1.952 -4.005 0.851 1.00 0.00 ATOM 75 2HG ARG+ 4 2.915 -4.544 -0.511 1.00 0.00 ATOM 76 QG ARG+ 4 2.434 -4.274 0.170 1.00 0.00 ATOM 77 CD ARG+ 4 4.073 -4.057 1.243 1.00 0.00 ATOM 78 1HD ARG+ 4 4.744 -3.199 1.207 1.00 0.00 ATOM 79 2HD ARG+ 4 3.727 -4.149 2.272 1.00 0.00 ATOM 80 QD ARG+ 4 4.236 -3.674 1.740 1.00 0.00 ATOM 81 NE ARG+ 4 4.799 -5.283 0.843 1.00 0.00 ATOM 82 HE ARG+ 4 5.625 -5.179 0.289 1.00 0.00 ATOM 83 CZ ARG+ 4 4.420 -6.524 1.178 1.00 0.00 ATOM 84 NH1 ARG+ 4 5.140 -7.578 0.771 1.00 0.00 ATOM 85 1HH1 ARG+ 4 4.857 -8.504 1.020 1.00 0.00 ATOM 86 2HH1 ARG+ 4 5.961 -7.438 0.217 1.00 0.00 ATOM 87 QH1 ARG+ 4 5.409 -7.971 0.619 1.00 0.00 ATOM 88 NH2 ARG+ 4 3.320 -6.711 1.920 1.00 0.00 ATOM 89 1HH2 ARG+ 4 3.037 -7.637 2.170 1.00 0.00 ATOM 90 2HH2 ARG+ 4 2.782 -5.924 2.224 1.00 0.00 ATOM 91 QH2 ARG+ 4 2.909 -6.781 2.197 1.00 0.00 ATOM 92 C ARG+ 4 2.537 -0.381 1.169 1.00 0.00 ATOM 93 O ARG+ 4 2.893 -0.501 2.340 1.00 0.00 ATOM 94 N DCYS 5 2.711 0.711 0.440 1.00 0.00 ATOM 95 H DCYS 5 2.418 0.801 -0.512 1.00 0.00 ATOM 96 CA DCYS 5 3.360 1.887 0.996 1.00 0.00 ATOM 97 HA DCYS 5 3.250 1.823 2.078 1.00 0.00 ATOM 98 CB DCYS 5 2.674 3.178 0.544 1.00 0.00 ATOM 99 2HB DCYS 5 2.958 3.381 -0.489 1.00 0.00 ATOM 100 3HB DCYS 5 3.053 4.004 1.147 1.00 0.00 ATOM 101 QB DCYS 5 3.005 3.692 0.329 1.00 0.00 ATOM 102 SG DCYS 5 0.848 3.158 0.658 1.00 0.00 ATOM 103 C DCYS 5 4.836 1.854 0.596 1.00 0.00 ATOM 104 O DCYS 5 5.710 1.701 1.447 1.00 0.00 ATOM 105 N PHE 6 5.069 2.002 -0.700 1.00 0.00 ATOM 106 H PHE 6 4.352 2.126 -1.386 1.00 0.00 ATOM 107 CA PHE 6 6.424 1.991 -1.223 1.00 0.00 ATOM 108 HA PHE 6 6.352 1.886 -2.306 1.00 0.00 ATOM 109 CB PHE 6 7.082 3.302 -0.788 1.00 0.00 ATOM 110 1HB PHE 6 6.343 3.912 -0.268 1.00 0.00 ATOM 111 2HB PHE 6 7.872 3.079 -0.071 1.00 0.00 ATOM 112 QB PHE 6 7.108 3.496 -0.169 1.00 0.00 ATOM 113 QD PHE 6 7.726 4.187 -2.043 1.00 0.00 ATOM 114 QE PHE 6 8.697 5.520 -3.935 1.00 0.00 ATOM 115 QR PHE 6 8.403 5.117 -3.363 1.00 0.00 ATOM 116 CG PHE 6 7.674 4.115 -1.941 1.00 0.00 ATOM 117 CD1 PHE 6 6.861 4.599 -2.918 1.00 0.00 ATOM 118 1HD PHE 6 5.789 4.409 -2.880 1.00 0.00 ATOM 119 CE1 PHE 6 7.411 5.354 -3.989 1.00 0.00 ATOM 120 1HE PHE 6 6.760 5.742 -4.772 1.00 0.00 ATOM 121 CZ PHE 6 8.749 5.592 -4.037 1.00 0.00 ATOM 122 HZ PHE 6 9.171 6.170 -4.858 1.00 0.00 ATOM 123 CE2 PHE 6 9.561 5.107 -3.059 1.00 0.00 ATOM 124 2HE PHE 6 10.634 5.298 -3.097 1.00 0.00 ATOM 125 CD2 PHE 6 9.012 4.353 -1.989 1.00 0.00 ATOM 126 2HD PHE 6 9.663 3.965 -1.205 1.00 0.00 ATOM 127 C PHE 6 7.223 0.819 -0.652 1.00 0.00 ATOM 128 O PHE 6 7.794 0.922 0.433 1.00 0.00 ATOM 129 N CONH 7 7.239 -0.270 -1.407 1.00 0.00 ATOM 130 1HN CONH 7 6.750 -0.280 -2.279 1.00 0.00 ATOM 131 2HN CONH 7 7.739 -1.081 -1.105 1.00 0.00 TER ENDMDL MODEL 4 ATOM 1 N PHE 1 -6.206 -1.387 1.820 1.00 0.00 ATOM 2 H PHE 1 -6.102 -1.554 2.801 1.00 0.00 ATOM 3 CA PHE 1 -5.011 -0.908 1.148 1.00 0.00 ATOM 4 HA PHE 1 -5.250 0.065 0.717 1.00 0.00 ATOM 5 CB PHE 1 -3.901 -0.845 2.199 1.00 0.00 ATOM 6 1HB PHE 1 -3.160 -0.109 1.887 1.00 0.00 ATOM 7 2HB PHE 1 -4.325 -0.491 3.139 1.00 0.00 ATOM 8 QB PHE 1 -3.742 -0.300 2.513 1.00 0.00 ATOM 9 QD PHE 1 -3.137 -2.300 2.465 1.00 0.00 ATOM 10 QE PHE 1 -1.985 -4.494 2.866 1.00 0.00 ATOM 11 QR PHE 1 -2.334 -3.830 2.745 1.00 0.00 ATOM 12 CG PHE 1 -3.199 -2.182 2.443 1.00 0.00 ATOM 13 CD1 PHE 1 -3.921 -3.268 2.829 1.00 0.00 ATOM 14 1HD PHE 1 -4.999 -3.186 2.964 1.00 0.00 ATOM 15 CE1 PHE 1 -3.269 -4.509 3.056 1.00 0.00 ATOM 16 1HE PHE 1 -3.847 -5.380 3.365 1.00 0.00 ATOM 17 CZ PHE 1 -1.923 -4.612 2.888 1.00 0.00 ATOM 18 HZ PHE 1 -1.423 -5.564 3.062 1.00 0.00 ATOM 19 CE2 PHE 1 -1.202 -3.525 2.502 1.00 0.00 ATOM 20 2HE PHE 1 -0.123 -3.607 2.368 1.00 0.00 ATOM 21 CD2 PHE 1 -1.853 -2.284 2.275 1.00 0.00 ATOM 22 2HD PHE 1 -1.275 -1.413 1.966 1.00 0.00 ATOM 23 C PHE 1 -4.587 -1.866 0.033 1.00 0.00 ATOM 24 O PHE 1 -4.423 -3.062 0.267 1.00 0.00 ATOM 25 N ARG+ 2 -4.422 -1.304 -1.156 1.00 0.00 ATOM 26 H ARG+ 2 -4.558 -0.330 -1.338 1.00 0.00 ATOM 27 CA ARG+ 2 -4.021 -2.094 -2.308 1.00 0.00 ATOM 28 HA ARG+ 2 -4.208 -3.127 -2.016 1.00 0.00 ATOM 29 CB ARG+ 2 -4.852 -1.732 -3.540 1.00 0.00 ATOM 30 1HB ARG+ 2 -4.585 -2.387 -4.369 1.00 0.00 ATOM 31 2HB ARG+ 2 -5.909 -1.896 -3.332 1.00 0.00 ATOM 32 QB ARG+ 2 -5.247 -2.142 -3.850 1.00 0.00 ATOM 33 CG ARG+ 2 -4.627 -0.273 -3.944 1.00 0.00 ATOM 34 1HG ARG+ 2 -5.541 0.298 -3.779 1.00 0.00 ATOM 35 2HG ARG+ 2 -3.856 0.168 -3.312 1.00 0.00 ATOM 36 QG ARG+ 2 -4.699 0.233 -3.545 1.00 0.00 ATOM 37 CD ARG+ 2 -4.212 -0.168 -5.413 1.00 0.00 ATOM 38 1HD ARG+ 2 -3.654 -1.057 -5.706 1.00 0.00 ATOM 39 2HD ARG+ 2 -5.098 -0.125 -6.047 1.00 0.00 ATOM 40 QD ARG+ 2 -4.376 -0.591 -5.876 1.00 0.00 ATOM 41 NE ARG+ 2 -3.383 1.040 -5.620 1.00 0.00 ATOM 42 HE ARG+ 2 -2.389 0.938 -5.581 1.00 0.00 ATOM 43 CZ ARG+ 2 -3.881 2.261 -5.856 1.00 0.00 ATOM 44 NH1 ARG+ 2 -3.053 3.300 -6.031 1.00 0.00 ATOM 45 1HH1 ARG+ 2 -3.424 4.212 -6.208 1.00 0.00 ATOM 46 2HH1 ARG+ 2 -2.063 3.164 -5.986 1.00 0.00 ATOM 47 QH1 ARG+ 2 -2.744 3.688 -6.097 1.00 0.00 ATOM 48 NH2 ARG+ 2 -5.207 2.444 -5.917 1.00 0.00 ATOM 49 1HH2 ARG+ 2 -5.579 3.356 -6.093 1.00 0.00 ATOM 50 2HH2 ARG+ 2 -5.825 1.669 -5.786 1.00 0.00 ATOM 51 QH2 ARG+ 2 -5.702 2.512 -5.939 1.00 0.00 ATOM 52 C ARG+ 2 -2.539 -1.868 -2.616 1.00 0.00 ATOM 53 O ARG+ 2 -2.092 -2.103 -3.737 1.00 0.00 ATOM 54 N CYSS 3 -1.819 -1.415 -1.600 1.00 0.00 ATOM 55 H CYSS 3 -2.191 -1.226 -0.691 1.00 0.00 ATOM 56 CA CYSS 3 -0.397 -1.155 -1.748 1.00 0.00 ATOM 57 HA CYSS 3 0.041 -2.052 -2.184 1.00 0.00 ATOM 58 CB CYSS 3 -0.131 -0.001 -2.717 1.00 0.00 ATOM 59 1HB CYSS 3 -0.472 -0.293 -3.710 1.00 0.00 ATOM 60 2HB CYSS 3 -0.732 0.856 -2.413 1.00 0.00 ATOM 61 QB CYSS 3 -0.602 0.282 -3.062 1.00 0.00 ATOM 62 SG CYSS 3 1.620 0.520 -2.827 1.00 0.00 ATOM 63 C CYSS 3 0.188 -0.882 -0.361 1.00 0.00 ATOM 64 O CYSS 3 -0.143 0.119 0.270 1.00 0.00 ATOM 65 N ARG+ 4 1.049 -1.792 0.071 1.00 0.00 ATOM 66 H ARG+ 4 1.314 -2.604 -0.449 1.00 0.00 ATOM 67 CA ARG+ 4 1.684 -1.662 1.372 1.00 0.00 ATOM 68 HA ARG+ 4 0.893 -1.875 2.091 1.00 0.00 ATOM 69 CB ARG+ 4 2.828 -2.667 1.529 1.00 0.00 ATOM 70 1HB ARG+ 4 2.583 -3.588 1.000 1.00 0.00 ATOM 71 2HB ARG+ 4 3.733 -2.267 1.072 1.00 0.00 ATOM 72 QB ARG+ 4 3.158 -2.928 1.036 1.00 0.00 ATOM 73 CG ARG+ 4 3.088 -2.974 3.005 1.00 0.00 ATOM 74 1HG ARG+ 4 2.411 -2.389 3.627 1.00 0.00 ATOM 75 2HG ARG+ 4 2.877 -4.024 3.205 1.00 0.00 ATOM 76 QG ARG+ 4 2.644 -3.207 3.416 1.00 0.00 ATOM 77 CD ARG+ 4 4.537 -2.659 3.383 1.00 0.00 ATOM 78 1HD ARG+ 4 5.174 -3.515 3.162 1.00 0.00 ATOM 79 2HD ARG+ 4 4.905 -1.825 2.785 1.00 0.00 ATOM 80 QD ARG+ 4 5.039 -2.670 2.973 1.00 0.00 ATOM 81 NE ARG+ 4 4.623 -2.324 4.822 1.00 0.00 ATOM 82 HE ARG+ 4 3.838 -2.540 5.402 1.00 0.00 ATOM 83 CZ ARG+ 4 5.688 -1.749 5.397 1.00 0.00 ATOM 84 NH1 ARG+ 4 5.678 -1.481 6.710 1.00 0.00 ATOM 85 1HH1 ARG+ 4 6.473 -1.052 7.139 1.00 0.00 ATOM 86 2HH1 ARG+ 4 4.876 -1.711 7.261 1.00 0.00 ATOM 87 QH1 ARG+ 4 5.674 -1.382 7.200 1.00 0.00 ATOM 88 NH2 ARG+ 4 6.764 -1.441 4.659 1.00 0.00 ATOM 89 1HH2 ARG+ 4 7.559 -1.012 5.088 1.00 0.00 ATOM 90 2HH2 ARG+ 4 6.771 -1.641 3.679 1.00 0.00 ATOM 91 QH2 ARG+ 4 7.165 -1.326 4.384 1.00 0.00 ATOM 92 C ARG+ 4 2.230 -0.245 1.557 1.00 0.00 ATOM 93 O ARG+ 4 2.303 0.255 2.679 1.00 0.00 ATOM 94 N DCYS 5 2.601 0.363 0.439 1.0