ATOM 1 N TYR A 1 0.311 2.651 6.764 1.00 74.12 N1+ ATOM 2 CA TYR A 1 -0.097 2.866 8.148 1.00 41.23 C ATOM 3 C TYR A 1 -1.029 1.755 8.621 1.00 11.31 C ATOM 4 O TYR A 1 -0.915 1.271 9.747 1.00 4.11 O ATOM 5 CB TYR A 1 -0.787 4.224 8.292 1.00 21.20 C ATOM 6 CG TYR A 1 -1.751 4.536 7.170 1.00 71.12 C ATOM 7 CD1 TYR A 1 -1.306 5.112 5.986 1.00 1.14 C ATOM 8 CD2 TYR A 1 -3.105 4.253 7.292 1.00 70.14 C ATOM 9 CE1 TYR A 1 -2.183 5.400 4.958 1.00 35.34 C ATOM 10 CE2 TYR A 1 -3.990 4.535 6.269 1.00 42.03 C ATOM 11 CZ TYR A 1 -3.524 5.109 5.104 1.00 43.44 C ATOM 12 OH TYR A 1 -4.400 5.392 4.081 1.00 14.02 O ATOM 13 H1 TYR A 1 0.731 3.386 6.270 1.00 75.21 H ATOM 14 HA TYR A 1 0.793 2.859 8.761 1.00 51.54 H ATOM 15 HB3 TYR A 1 -0.037 5.001 8.313 1.00 52.35 H ATOM 16 HD1 TYR A 1 -0.256 5.338 5.876 1.00 63.04 H ATOM 17 HD2 TYR A 1 -3.468 3.803 8.205 1.00 12.42 H ATOM 18 HE1 TYR A 1 -1.818 5.848 4.046 1.00 2.02 H ATOM 19 HE2 TYR A 1 -5.039 4.308 6.382 1.00 54.04 H ATOM 20 HH TYR A 1 -4.499 6.344 3.999 1.00 24.52 H ATOM 21 N ARG A 2 -1.951 1.356 7.751 1.00 70.03 N ATOM 22 CA ARG A 2 -2.905 0.302 8.078 1.00 4.44 C ATOM 23 C ARG A 2 -3.314 -0.468 6.827 1.00 52.32 C ATOM 24 O ARG A 2 -3.343 -1.698 6.826 1.00 22.45 O ATOM 25 CB ARG A 2 -4.143 0.898 8.752 1.00 62.42 C ATOM 26 CG ARG A 2 -4.958 -0.120 9.534 1.00 5.22 C ATOM 27 CD ARG A 2 -5.928 -0.868 8.634 1.00 40.21 C ATOM 28 NE ARG A 2 -7.016 -1.480 9.390 1.00 70.24 N ATOM 29 CZ ARG A 2 -8.055 -0.801 9.862 1.00 32.42 C ATOM 30 NH1 ARG A 2 -8.147 0.506 9.658 1.00 61.23 N ATOM 31 NH2 ARG A 2 -9.007 -1.429 10.542 1.00 43.13 N ATOM 32 H ARG A 2 -1.992 1.780 6.868 1.00 34.23 H ATOM 33 HA ARG A 2 -2.424 -0.378 8.765 1.00 34.11 H ATOM 34 HB3 ARG A 2 -4.778 1.329 7.994 1.00 44.41 H ATOM 35 HG3 ARG A 2 -5.517 0.395 10.302 1.00 50.11 H ATOM 36 HD3 ARG A 2 -5.386 -1.641 8.109 1.00 40.22 H ATOM 37 HE ARG A 2 -6.970 -2.445 9.553 1.00 63.42 H ATOM 38 HH11 ARG A 2 -7.432 0.981 9.145 1.00 20.12 H ATOM 39 HH12 ARG A 2 -8.931 1.014 10.014 1.00 43.02 H ATOM 40 HH21 ARG A 2 -8.941 -2.415 10.698 1.00 12.35 H ATOM 41 HH22 ARG A 2 -9.788 -0.918 10.898 1.00 42.31 H ATOM 42 N GLN A 3 -3.631 0.264 5.764 1.00 11.24 N ATOM 43 CA GLN A 3 -4.040 -0.351 4.507 1.00 53.40 C ATOM 44 C GLN A 3 -3.025 -1.395 4.056 1.00 40.00 C ATOM 45 O GLN A 3 -3.375 -2.549 3.809 1.00 71.43 O ATOM 46 CB GLN A 3 -4.208 0.716 3.424 1.00 42.13 C ATOM 47 CG GLN A 3 -5.507 1.497 3.535 1.00 54.15 C ATOM 48 CD GLN A 3 -6.707 0.706 3.051 1.00 23.45 C ATOM 49 OE1 GLN A 3 -6.609 -0.493 2.790 1.00 72.22 O ATOM 50 NE2 GLN A 3 -7.847 1.375 2.931 1.00 74.53 N ATOM 51 H GLN A 3 -3.589 1.241 5.827 1.00 73.21 H ATOM 52 HA GLN A 3 -4.990 -0.837 4.671 1.00 70.25 H ATOM 53 HB3 GLN A 3 -4.183 0.236 2.456 1.00 2.25 H ATOM 54 HG3 GLN A 3 -5.424 2.395 2.940 1.00 71.01 H ATOM 55 HE21 GLN A 3 -7.851 2.329 3.156 1.00 31.43 H ATOM 56 HE22 GLN A 3 -8.639 0.887 2.621 1.00 2.11 H ATOM 57 N SER A 4 -1.766 -0.983 3.952 1.00 64.02 N ATOM 58 CA SER A 4 -0.700 -1.882 3.527 1.00 63.14 C ATOM 59 C SER A 4 0.670 -1.293 3.851 1.00 31.30 C ATOM 60 O SER A 4 0.822 -0.078 3.969 1.00 24.30 O ATOM 61 CB SER A 4 -0.806 -2.159 2.026 1.00 62.43 C ATOM 62 OG SER A 4 -0.089 -3.329 1.670 1.00 24.14 O ATOM 63 H SER A 4 -1.549 -0.050 4.163 1.00 71.23 H ATOM 64 HA SER A 4 -0.815 -2.811 4.064 1.00 74.10 H ATOM 65 HB3 SER A 4 -0.398 -1.322 1.478 1.00 53.31 H ATOM 66 HG SER A 4 -0.701 -4.062 1.569 1.00 4.05 H ATOM 67 N MET A 5 1.663 -2.165 3.993 1.00 12.00 N ATOM 68 CA MET A 5 3.020 -1.732 4.303 1.00 4.31 C ATOM 69 C MET A 5 4.031 -2.818 3.949 1.00 24.40 C ATOM 70 O MET A 5 3.718 -4.007 3.987 1.00 55.20 O ATOM 71 CB MET A 5 3.138 -1.372 5.785 1.00 4.00 C ATOM 72 CG MET A 5 4.334 -0.489 6.103 1.00 13.32 C ATOM 73 SD MET A 5 4.662 -0.374 7.872 1.00 72.41 S ATOM 74 CE MET A 5 6.441 -0.168 7.874 1.00 22.24 C ATOM 75 H MET A 5 1.480 -3.122 3.886 1.00 33.13 H ATOM 76 HA MET A 5 3.232 -0.854 3.711 1.00 73.22 H ATOM 77 HB3 MET A 5 3.229 -2.282 6.359 1.00 74.33 H ATOM 78 HG3 MET A 5 4.142 0.503 5.721 1.00 72.13 H ATOM 79 HE1 MET A 5 6.682 0.883 7.815 1.00 51.14 H ATOM 80 HE2 MET A 5 6.851 -0.580 8.784 1.00 74.22 H ATOM 81 HE3 MET A 5 6.863 -0.682 7.023 1.00 22.53 H ATOM 82 N ASN A 6 5.246 -2.401 3.607 1.00 71.15 N ATOM 83 CA ASN A 6 6.303 -3.339 3.246 1.00 50.45 C ATOM 84 C ASN A 6 7.651 -2.632 3.159 1.00 64.01 C ATOM 85 O ASN A 6 7.718 -1.427 2.919 1.00 10.13 O ATOM 86 CB ASN A 6 5.981 -4.013 1.910 1.00 21.22 C ATOM 87 CG ASN A 6 5.860 -3.016 0.773 1.00 21.22 C ATOM 88 OD1 ASN A 6 4.757 -2.679 0.343 1.00 44.22 O ATOM 89 ND2 ASN A 6 6.998 -2.540 0.282 1.00 3.52 N ATOM 90 H ASN A 6 5.436 -1.439 3.596 1.00 61.14 H ATOM 91 HA ASN A 6 6.354 -4.093 4.017 1.00 41.33 H ATOM 92 HB3 ASN A 6 5.046 -4.546 1.999 1.00 54.32 H ATOM 93 HD21 ASN A 6 7.840 -2.854 0.674 1.00 2.15 H ATOM 94 HD22 ASN A 6 6.950 -1.893 -0.453 1.00 72.52 H ATOM 95 N ASN A 7 8.725 -3.390 3.354 1.00 43.12 N ATOM 96 CA ASN A 7 10.073 -2.836 3.298 1.00 41.05 C ATOM 97 C ASN A 7 11.016 -3.775 2.550 1.00 43.23 C ATOM 98 O ASN A 7 12.175 -3.942 2.931 1.00 35.45 O ATOM 99 CB ASN A 7 10.602 -2.583 4.710 1.00 31.23 C ATOM 100 CG ASN A 7 10.335 -3.747 5.645 1.00 15.43 C ATOM 101 OD1 ASN A 7 11.189 -4.610 5.841 1.00 44.32 O ATOM 102 ND2 ASN A 7 9.142 -3.773 6.229 1.00 21.52 N ATOM 103 H ASN A 7 8.609 -4.345 3.540 1.00 32.22 H ATOM 104 HA ASN A 7 10.023 -1.897 2.767 1.00 64.52 H ATOM 105 HB3 ASN A 7 10.126 -1.702 5.114 1.00 70.21 H ATOM 106 HD21 ASN A 7 8.510 -3.052 6.026 1.00 11.14 H ATOM 107 HD22 ASN A 7 8.942 -4.514 6.839 1.00 0.41 H ATOM 108 N PHE A 8 10.512 -4.385 1.482 1.00 14.32 N ATOM 109 CA PHE A 8 11.308 -5.306 0.681 1.00 41.23 C ATOM 110 C PHE A 8 10.669 -5.531 -0.687 1.00 10.02 C ATOM 111 O PHE A 8 9.649 -4.923 -1.012 1.00 45.25 O ATOM 112 CB PHE A 8 11.466 -6.643 1.408 1.00 73.33 C ATOM 113 CG PHE A 8 10.218 -7.092 2.114 1.00 1.12 C ATOM 114 CD1 PHE A 8 9.036 -7.268 1.413 1.00 73.52 C ATOM 115 CD2 PHE A 8 10.228 -7.338 3.477 1.00 73.34 C ATOM 116 CE1 PHE A 8 7.886 -7.680 2.060 1.00 61.40 C ATOM 117 CE2 PHE A 8 9.081 -7.751 4.130 1.00 55.01 C ATOM 118 CZ PHE A 8 7.908 -7.923 3.420 1.00 23.02 C ATOM 119 H PHE A 8 9.581 -4.210 1.227 1.00 31.21 H ATOM 120 HA PHE A 8 12.283 -4.866 0.541 1.00 50.21 H ATOM 121 HB3 PHE A 8 12.250 -6.555 2.144 1.00 3.54 H ATOM 122 HD1 PHE A 8 9.016 -7.081 0.350 1.00 14.42 H ATOM 123 HD2 PHE A 8 11.144 -7.204 4.033 1.00 4.45 H ATOM 124 HE1 PHE A 8 6.971 -7.815 1.503 1.00 55.33 H ATOM 125 HE2 PHE A 8 9.102 -7.940 5.192 1.00 21.23 H ATOM 126 HZ PHE A 8 7.011 -8.245 3.927 1.00 22.11 H ATOM 127 N GLN A 9 11.276 -6.406 -1.481 1.00 64.32 N ATOM 128 CA GLN A 9 10.767 -6.709 -2.813 1.00 24.13 C ATOM 129 C GLN A 9 9.322 -7.190 -2.747 1.00 53.11 C ATOM 130 O GLN A 9 8.468 -6.728 -3.504 1.00 45.13 O ATOM 131 CB GLN A 9 11.639 -7.771 -3.486 1.00 31.11 C ATOM 132 CG GLN A 9 11.829 -9.024 -2.645 1.00 45.24 C ATOM 133 CD GLN A 9 12.879 -9.956 -3.217 1.00 5.14 C ATOM 134 OE1 GLN A 9 13.986 -10.062 -2.689 1.00 10.44 O ATOM 135 NE2 GLN A 9 12.536 -10.640 -4.302 1.00 42.01 N ATOM 136 H GLN A 9 12.086 -6.858 -1.164 1.00 54.31 H ATOM 137 HA GLN A 9 10.806 -5.803 -3.397 1.00 55.24 H ATOM 138 HB3 GLN A 9 12.612 -7.347 -3.685 1.00 22.33 H ATOM 139 HG3 GLN A 9 10.889 -9.553 -2.594 1.00 1.04 H ATOM 140 HE21 GLN A 9 11.637 -10.505 -4.669 1.00 43.01 H ATOM 141 HE22 GLN A 9 13.196 -11.250 -4.693 1.00 12.34 H ATOM 142 N GLY A 10 9.052 -8.120 -1.835 1.00 2.52 N ATOM 143 CA GLY A 10 7.708 -8.647 -1.688 1.00 21.21 C ATOM 144 C GLY A 10 7.699 -10.077 -1.185 1.00 33.22 C ATOM 145 O GLY A 10 6.893 -10.895 -1.631 1.00 10.14 O ATOM 146 H GLY A 10 9.773 -8.450 -1.259 1.00 74.12 H ATOM 147 HA2 GLY A 10 7.165 -8.027 -0.991 1.00 71.05 H ATOM 148 HA3 GLY A 10 7.213 -8.612 -2.647 1.00 44.13 H ATOM 149 N LEU A 11 8.596 -10.381 -0.254 1.00 2.10 N ATOM 150 CA LEU A 11 8.690 -11.722 0.311 1.00 51.15 C ATOM 151 C LEU A 11 7.420 -12.081 1.076 1.00 32.52 C ATOM 152 O LEU A 11 6.777 -13.092 0.793 1.00 25.41 O ATOM 153 CB LEU A 11 9.903 -11.825 1.236 1.00 11.22 C ATOM 154 CG LEU A 11 10.158 -10.622 2.146 1.00 73.04 C ATOM 155 CD1 LEU A 11 10.071 -11.030 3.607 1.00 23.52 C ATOM 156 CD2 LEU A 11 11.513 -10.000 1.842 1.00 61.23 C ATOM 157 H LEU A 11 9.212 -9.687 0.062 1.00 15.14 H ATOM 158 HA LEU A 11 8.811 -12.417 -0.507 1.00 64.22 H ATOM 159 HB3 LEU A 11 10.779 -11.965 0.618 1.00 22.13 H ATOM 160 HG LEU A 11 9.397 -9.874 1.963 1.00 60.01 H ATOM 161 HD11 LEU A 11 9.086 -10.808 3.987 1.00 13.20 H ATOM 162 HD12 LEU A 11 10.809 -10.484 4.178 1.00 61.41 H ATOM 163 HD13 LEU A 11 10.262 -12.090 3.696 1.00 34.54 H ATOM 164 HD21 LEU A 11 11.740 -9.251 2.585 1.00 31.34 H ATOM 165 HD22 LEU A 11 11.487 -9.542 0.864 1.00 22.34 H ATOM 166 HD23 LEU A 11 12.272 -10.768 1.860 1.00 64.15 H ATOM 167 N ARG A 12 7.064 -11.244 2.046 1.00 42.23 N ATOM 168 CA ARG A 12 5.870 -11.472 2.851 1.00 22.41 C ATOM 169 C ARG A 12 4.703 -10.629 2.345 1.00 4.00 C ATOM 170 O ARG A 12 3.790 -10.298 3.102 1.00 42.55 O ATOM 171 CB ARG A 12 6.151 -11.146 4.320 1.00 52.13 C ATOM 172 CG ARG A 12 7.094 -12.129 4.993 1.00 52.30 C ATOM 173 CD ARG A 12 7.764 -11.513 6.210 1.00 20.14 C ATOM 174 NE ARG A 12 7.729 -12.405 7.366 1.00 75.05 N ATOM 175 CZ ARG A 12 6.618 -12.698 8.035 1.00 45.35 C ATOM 176 NH1 ARG A 12 5.460 -12.171 7.665 1.00 31.32 N ATOM 177 NH2 ARG A 12 6.667 -13.519 9.076 1.00 52.22 N ATOM 178 H ARG A 12 7.618 -10.455 2.224 1.00 53.41 H ATOM 179 HA ARG A 12 5.608 -12.517 2.767 1.00 14.43 H ATOM 180 HB3 ARG A 12 5.216 -11.148 4.860 1.00 25.31 H ATOM 181 HG3 ARG A 12 7.854 -12.426 4.285 1.00 33.42 H ATOM 182 HD3 ARG A 12 7.252 -10.595 6.460 1.00 61.22 H ATOM 183 HE ARG A 12 8.574 -12.805 7.656 1.00 63.34 H ATOM 184 HH11 ARG A 12 5.420 -11.553 6.880 1.00 2.52 H ATOM 185 HH12 ARG A 12 4.626 -12.394 8.169 1.00 14.35 H ATOM 186 HH21 ARG A 12 7.539 -13.919 9.357 1.00 32.13 H ATOM 187 HH22 ARG A 12 5.831 -13.738 9.579 1.00 64.35 H ATOM 188 N SER A 13 4.741 -10.286 1.061 1.00 64.43 N ATOM 189 CA SER A 13 3.689 -9.479 0.455 1.00 45.23 C ATOM 190 C SER A 13 2.652 -10.363 -0.229 1.00 71.12 C ATOM 191 O SER A 13 2.085 -9.993 -1.259 1.00 22.53 O ATOM 192 CB SER A 13 4.288 -8.499 -0.556 1.00 71.05 C ATOM 193 OG SER A 13 3.587 -7.268 -0.551 1.00 3.13 O ATOM 194 H SER A 13 5.496 -10.582 0.510 1.00 42.34 H ATOM 195 HA SER A 13 3.205 -8.919 1.241 1.00 24.44 H ATOM 196 HB3 SER A 13 4.230 -8.929 -1.547 1.00 13.34 H ATOM 197 HG SER A 13 4.216 -6.542 -0.522 1.00 34.12 H ATOM 198 N PHE A 14 2.407 -11.534 0.350 1.00 51.45 N ATOM 199 CA PHE A 14 1.438 -12.473 -0.203 1.00 42.01 C ATOM 200 C PHE A 14 1.351 -13.732 0.654 1.00 52.22 C ATOM 201 O PHE A 14 2.329 -14.141 1.278 1.00 53.11 O ATOM 202 CB PHE A 14 1.819 -12.844 -1.639 1.00 34.34 C ATOM 203 CG PHE A 14 0.951 -13.920 -2.229 1.00 10.45 C ATOM 204 CD1 PHE A 14 1.072 -15.234 -1.808 1.00 24.04 C ATOM 205 CD2 PHE A 14 0.015 -13.615 -3.204 1.00 64.42 C ATOM 206 CE1 PHE A 14 0.277 -16.226 -2.351 1.00 21.13 C ATOM 207 CE2 PHE A 14 -0.784 -14.603 -3.749 1.00 62.32 C ATOM 208 CZ PHE A 14 -0.653 -15.910 -3.322 1.00 21.22 C ATOM 209 H PHE A 14 2.890 -11.772 1.169 1.00 71.40 H ATOM 210 HA PHE A 14 0.474 -11.989 -0.210 1.00 11.35 H ATOM 211 HB3 PHE A 14 2.839 -13.194 -1.654 1.00 1.45 H ATOM 212 HD1 PHE A 14 1.799 -15.484 -1.048 1.00 11.24 H ATOM 213 HD2 PHE A 14 -0.087 -12.593 -3.540 1.00 34.31 H ATOM 214 HE1 PHE A 14 0.380 -17.246 -2.013 1.00 63.02 H ATOM 215 HE2 PHE A 14 -1.510 -14.352 -4.508 1.00 43.04 H ATOM 216 HZ PHE A 14 -1.276 -16.682 -3.747 1.00 31.34 H ATOM 217 N GLY A 15 0.170 -14.343 0.679 1.00 55.32 N ATOM 218 CA GLY A 15 -0.025 -15.549 1.462 1.00 31.41 C ATOM 219 C GLY A 15 -1.346 -16.229 1.161 1.00 64.53 C ATOM 220 O GLY A 15 -1.452 -17.454 1.232 1.00 41.15 O ATOM 221 H GLY A 15 -0.575 -13.971 0.161 1.00 72.52 H ATOM 222 HA2 GLY A 15 0.780 -16.237 1.251 1.00 50.54 H ATOM 223 HA3 GLY A 15 0.003 -15.292 2.511 1.00 14.43 H ATOM 224 N CYS A 16 -2.356 -15.434 0.827 1.00 52.35 N ATOM 225 CA CYS A 16 -3.677 -15.965 0.516 1.00 54.15 C ATOM 226 C CYS A 16 -4.048 -15.685 -0.938 1.00 60.42 C ATOM 227 O CYS A 16 -3.842 -14.581 -1.440 1.00 53.32 O ATOM 228 CB CYS A 16 -4.727 -15.356 1.446 1.00 32.32 C ATOM 229 SG CYS A 16 -4.926 -13.555 1.266 1.00 61.12 S ATOM 230 H CYS A 16 -2.209 -14.465 0.787 1.00 33.02 H ATOM 231 HA CYS A 16 -3.650 -17.034 0.668 1.00 52.43 H ATOM 232 HB3 CYS A 16 -4.448 -15.557 2.470 1.00 12.33 H ATOM 233 N ARG A 17 -4.595 -16.695 -1.609 1.00 24.21 N ATOM 234 CA ARG A 17 -4.993 -16.558 -3.005 1.00 23.54 C ATOM 235 C ARG A 17 -5.974 -15.403 -3.179 1.00 70.12 C ATOM 236 O ARG A 17 -5.819 -14.573 -4.074 1.00 2.41 O ATOM 237 CB ARG A 17 -5.624 -17.859 -3.506 1.00 44.50 C ATOM 238 CG ARG A 17 -5.142 -18.276 -4.886 1.00 35.43 C ATOM 239 CD ARG A 17 -5.425 -17.203 -5.924 1.00 14.22 C ATOM 240 NE ARG A 17 -5.732 -17.774 -7.233 1.00 12.12 N ATOM 241 CZ ARG A 17 -4.806 -18.199 -8.085 1.00 24.13 C ATOM 242 NH1 ARG A 17 -3.521 -18.119 -7.765 1.00 41.35 N ATOM 243 NH2 ARG A 17 -5.163 -18.707 -9.257 1.00 60.21 N ATOM 244 H ARG A 17 -4.733 -17.552 -1.154 1.00 5.05 H ATOM 245 HA ARG A 17 -4.106 -16.352 -3.584 1.00 61.01 H ATOM 246 HB3 ARG A 17 -6.695 -17.732 -3.546 1.00 55.43 H ATOM 247 HG3 ARG A 17 -5.648 -19.185 -5.173 1.00 71.54 H ATOM 248 HD3 ARG A 17 -4.556 -16.568 -6.012 1.00 51.54 H ATOM 249 HE ARG A 17 -6.675 -17.842 -7.488 1.00 63.05 H ATOM 250 HH11 ARG A 17 -3.249 -17.737 -6.883 1.00 64.32 H ATOM 251 HH12 ARG A 17 -2.825 -18.441 -8.409 1.00 12.44 H ATOM 252 HH21 ARG A 17 -6.131 -18.769 -9.500 1.00 3.20 H ATOM 253 HH22 ARG A 17 -4.465 -19.027 -9.897 1.00 4.33 H ATOM 254 N PHE A 18 -6.986 -15.357 -2.319 1.00 70.01 N ATOM 255 CA PHE A 18 -7.993 -14.306 -2.379 1.00 11.21 C ATOM 256 C PHE A 18 -8.566 -14.021 -0.993 1.00 13.32 C ATOM 257 O PHE A 18 -8.602 -14.899 -0.131 1.00 45.41 O ATOM 258 CB PHE A 18 -9.120 -14.702 -3.336 1.00 24.13 C ATOM 259 CG PHE A 18 -8.847 -14.334 -4.766 1.00 61.24 C ATOM 260 CD1 PHE A 18 -8.507 -13.036 -5.109 1.00 30.11 C ATOM 261 CD2 PHE A 18 -8.932 -15.287 -5.768 1.00 64.54 C ATOM 262 CE1 PHE A 18 -8.256 -12.694 -6.425 1.00 52.10 C ATOM 263 CE2 PHE A 18 -8.681 -14.952 -7.085 1.00 62.24 C ATOM 264 CZ PHE A 18 -8.343 -13.654 -7.415 1.00 35.13 C ATOM 265 H PHE A 18 -7.056 -16.049 -1.627 1.00 32.25 H ATOM 266 HA PHE A 18 -7.516 -13.411 -2.749 1.00 74.52 H ATOM 267 HB3 PHE A 18 -10.031 -14.208 -3.033 1.00 64.50 H ATOM 268 HD1 PHE A 18 -8.438 -12.284 -4.335 1.00 12.41 H ATOM 269 HD2 PHE A 18 -9.196 -16.303 -5.514 1.00 23.21 H ATOM 270 HE1 PHE A 18 -7.993 -11.678 -6.679 1.00 24.52 H ATOM 271 HE2 PHE A 18 -8.750 -15.705 -7.858 1.00 2.32 H ATOM 272 HZ PHE A 18 -8.146 -13.390 -8.443 1.00 14.30 H ATOM 273 N GLY A 19 -9.012 -12.786 -0.787 1.00 35.25 N ATOM 274 CA GLY A 19 -9.577 -12.406 0.496 1.00 23.22 C ATOM 275 C GLY A 19 -9.254 -10.973 0.870 1.00 45.03 C ATOM 276 O GLY A 19 -9.849 -10.035 0.338 1.00 41.22 O ATOM 277 H GLY A 19 -8.959 -12.127 -1.509 1.00 51.14 H ATOM 278 HA2 GLY A 19 -10.649 -12.524 0.455 1.00 51.51 H ATOM 279 HA3 GLY A 19 -9.182 -13.062 1.258 1.00 13.13 H ATOM 280 N THR A 20 -8.309 -10.801 1.790 1.00 10.31 N ATOM 281 CA THR A 20 -7.911 -9.472 2.237 1.00 44.43 C ATOM 282 C THR A 20 -6.423 -9.234 1.996 1.00 35.12 C ATOM 283 O THR A 20 -5.919 -8.132 2.209 1.00 25.24 O ATOM 284 CB THR A 20 -8.216 -9.267 3.732 1.00 13.03 C ATOM 285 OG1 THR A 20 -7.582 -8.073 4.203 1.00 51.32 O ATOM 286 CG2 THR A 20 -7.738 -10.457 4.550 1.00 71.52 C ATOM 287 H THR A 20 -7.871 -11.587 2.176 1.00 31.32 H ATOM 288 HA THR A 20 -8.477 -8.746 1.672 1.00 63.42 H ATOM 289 HB THR A 20 -9.286 -9.170 3.855 1.00 23.10 H ATOM 290 HG1 THR A 20 -8.067 -7.729 4.957 1.00 50.31 H ATOM 291 HG21 THR A 20 -7.151 -11.112 3.924 1.00 3.13 H ATOM 292 HG22 THR A 20 -8.592 -10.996 4.933 1.00 72.54 H ATOM 293 HG23 THR A 20 -7.134 -10.108 5.374 1.00 21.51 H ATOM 294 N CYS A 21 -5.728 -10.275 1.551 1.00 25.32 N ATOM 295 CA CYS A 21 -4.298 -10.180 1.281 1.00 30.13 C ATOM 296 C CYS A 21 -3.968 -10.731 -0.103 1.00 14.12 C ATOM 297 O CYS A 21 -3.087 -11.578 -0.254 1.00 23.35 O ATOM 298 CB CYS A 21 -3.505 -10.939 2.346 1.00 22.25 C ATOM 299 SG CYS A 21 -4.200 -12.569 2.770 1.00 1.23 S ATOM 300 H CYS A 21 -6.187 -11.128 1.400 1.00 24.34 H ATOM 301 HA CYS A 21 -4.023 -9.137 1.314 1.00 24.35 H ATOM 302 HB3 CYS A 21 -3.474 -10.349 3.251 1.00 41.53 H ATOM 303 N THR A 22 -4.682 -10.244 -1.113 1.00 51.35 N ATOM 304 CA THR A 22 -4.466 -10.688 -2.486 1.00 14.24 C ATOM 305 C THR A 22 -4.024 -9.531 -3.374 1.00 11.24 C ATOM 306 O THR A 22 -3.956 -8.384 -2.930 1.00 41.21 O ATOM 307 CB THR A 22 -5.741 -11.318 -3.079 1.00 2.20 C ATOM 308 OG1 THR A 22 -5.428 -11.996 -4.300 1.00 63.04 O ATOM 309 CG2 THR A 22 -6.798 -10.255 -3.339 1.00 30.21 C ATOM 310 H THR A 22 -5.370 -9.571 -0.931 1.00 13.23 H ATOM 311 HA THR A 22 -3.690 -11.438 -2.475 1.00 30.20 H ATOM 312 HB THR A 22 -6.135 -12.031 -2.369 1.00 62.42 H ATOM 313 HG1 THR A 22 -5.606 -11.416 -5.044 1.00 21.41 H ATOM 314 HG21 THR A 22 -6.456 -9.306 -2.955 1.00 74.11 H ATOM 315 HG22 THR A 22 -7.717 -10.533 -2.845 1.00 74.43 H ATOM 316 HG23 THR A 22 -6.971 -10.174 -4.402 1.00 10.45 H ATOM 317 N VAL A 23 -3.723 -9.839 -4.632 1.00 10.52 N ATOM 318 CA VAL A 23 -3.289 -8.823 -5.584 1.00 25.50 C ATOM 319 C VAL A 23 -4.242 -7.634 -5.593 1.00 11.33 C ATOM 320 O VAL A 23 -3.830 -6.498 -5.826 1.00 52.21 O ATOM 321 CB VAL A 23 -3.188 -9.398 -7.010 1.00 34.02 C ATOM 322 CG1 VAL A 23 -2.298 -10.631 -7.027 1.00 63.13 C ATOM 323 CG2 VAL A 23 -4.572 -9.721 -7.552 1.00 31.14 C ATOM 324 H VAL A 23 -3.797 -10.770 -4.927 1.00 10.30 H ATOM 325 HA VAL A 23 -2.307 -8.484 -5.286 1.00 15.43 H ATOM 326 HB VAL A 23 -2.740 -8.649 -7.647 1.00 53.13 H ATOM 327 HG11 VAL A 23 -2.758 -11.414 -6.443 1.00 52.04 H ATOM 328 HG12 VAL A 23 -2.169 -10.967 -8.046 1.00 24.34 H ATOM 329 HG13 VAL A 23 -1.335 -10.385 -6.604 1.00 32.23 H ATOM 330 HG21 VAL A 23 -4.478 -10.288 -8.466 1.00 2.33 H ATOM 331 HG22 VAL A 23 -5.118 -10.301 -6.822 1.00 42.02 H ATOM 332 HG23 VAL A 23 -5.105 -8.802 -7.752 1.00 24.22 H ATOM 333 N GLN A 24 -5.518 -7.904 -5.337 1.00 0.25 N ATOM 334 CA GLN A 24 -6.531 -6.854 -5.316 1.00 73.50 C ATOM 335 C GLN A 24 -6.346 -5.943 -4.107 1.00 45.13 C ATOM 336 O GLN A 24 -6.534 -4.730 -4.196 1.00 24.32 O ATOM 337 CB GLN A 24 -7.932 -7.469 -5.296 1.00 42.43 C ATOM 338 CG GLN A 24 -8.602 -7.500 -6.661 1.00 30.35 C ATOM 339 CD GLN A 24 -9.729 -8.510 -6.734 1.00 55.44 C ATOM 340 OE1 GLN A 24 -10.845 -8.184 -7.142 1.00 44.15 O ATOM 341 NE2 GLN A 24 -9.444 -9.746 -6.339 1.00 43.44 N ATOM 342 H GLN A 24 -5.785 -8.829 -5.159 1.00 4.22 H ATOM 343 HA GLN A 24 -6.418 -6.267 -6.214 1.00 42.41 H ATOM 344 HB3 GLN A 24 -8.554 -6.895 -4.627 1.00 30.12 H ATOM 345 HG3 GLN A 24 -7.861 -7.753 -7.405 1.00 2.05 H ATOM 346 HE21 GLN A 24 -8.534 -9.932 -6.026 1.00 34.21 H ATOM 347 HE22 GLN A 24 -10.154 -10.418 -6.376 1.00 60.40 H ATOM 348 N LYS A 25 -5.976 -6.536 -2.977 1.00 32.40 N ATOM 349 CA LYS A 25 -5.765 -5.779 -1.748 1.00 41.24 C ATOM 350 C LYS A 25 -4.361 -5.183 -1.713 1.00 25.34 C ATOM 351 O LYS A 25 -4.092 -4.249 -0.956 1.00 43.44 O ATOM 352 CB LYS A 25 -5.981 -6.676 -0.528 1.00 43.22 C ATOM 353 CG LYS A 25 -7.443 -6.859 -0.160 1.00 21.43 C ATOM 354 CD LYS A 25 -8.098 -7.944 -1.001 1.00 12.45 C ATOM 355 CE LYS A 25 -9.561 -7.628 -1.273 1.00 70.34 C ATOM 356 NZ LYS A 25 -10.300 -7.298 -0.023 1.00 71.22 N1+ ATOM 357 H LYS A 25 -5.842 -7.508 -2.968 1.00 54.31 H ATOM 358 HA LYS A 25 -6.485 -4.975 -1.726 1.00 1.43 H ATOM 359 HB3 LYS A 25 -5.470 -6.241 0.319 1.00 10.43 H ATOM 360 HG3 LYS A 25 -7.965 -5.927 -0.321 1.00 74.50 H ATOM 361 HD3 LYS A 25 -8.033 -8.884 -0.473 1.00 1.23 H ATOM 362 HE3 LYS A 25 -10.020 -8.489 -1.736 1.00 70.43 H ATOM 363 HZ1 LYS A 25 -10.140 -8.036 0.692 1.00 63.54 H ATOM 364 HZ2 LYS A 25 -11.320 -7.236 -0.217 1.00 24.01 H ATOM 365 HZ3 LYS A 25 -9.973 -6.387 0.356 1.00 41.24 H ATOM 366 N LEU A 26 -3.471 -5.728 -2.534 1.00 22.22 N ATOM 367 CA LEU A 26 -2.094 -5.249 -2.597 1.00 12.44 C ATOM 368 C LEU A 26 -1.956 -4.121 -3.614 1.00 23.04 C ATOM 369 O LEU A 26 -1.331 -3.097 -3.340 1.00 21.45 O ATOM 370 CB LEU A 26 -1.150 -6.397 -2.960 1.00 45.51 C ATOM 371 CG LEU A 26 0.222 -5.991 -3.501 1.00 71.20 C ATOM 372 CD1 LEU A 26 1.034 -5.287 -2.424 1.00 52.00 C ATOM 373 CD2 LEU A 26 0.969 -7.209 -4.023 1.00 63.23 C ATOM 374 H LEU A 26 -3.744 -6.470 -3.112 1.00 50.22 H ATOM 375 HA LEU A 26 -1.830 -4.871 -1.621 1.00 31.44 H ATOM 376 HB3 LEU A 26 -1.638 -6.999 -3.712 1.00 71.43 H ATOM 377 HG LEU A 26 0.089 -5.301 -4.322 1.00 62.24 H ATOM 378 HD11 LEU A 26 1.350 -6.007 -1.684 1.00 13.41 H ATOM 379 HD12 LEU A 26 0.425 -4.530 -1.953 1.00 33.22 H ATOM 380 HD13 LEU A 26 1.901 -4.825 -2.872 1.00 41.04 H ATOM 381 HD21 LEU A 26 1.626 -6.911 -4.827 1.00 11.01 H ATOM 382 HD22 LEU A 26 0.260 -7.937 -4.389 1.00 51.21 H ATOM 383 HD23 LEU A 26 1.552 -7.644 -3.225 1.00 70.41 H ATOM 384 N ALA A 27 -2.546 -4.315 -4.789 1.00 4.02 N ATOM 385 CA ALA A 27 -2.492 -3.312 -5.845 1.00 62.45 C ATOM 386 C ALA A 27 -3.075 -1.985 -5.373 1.00 73.40 C ATOM 387 O ALA A 27 -2.807 -0.934 -5.957 1.00 74.54 O ATOM 388 CB ALA A 27 -3.232 -3.806 -7.081 1.00 24.53 C ATOM 389 H ALA A 27 -3.029 -5.152 -4.948 1.00 52.55 H ATOM 390 HA ALA A 27 -1.455 -3.163 -6.112 1.00 71.15 H ATOM 391 HB1 ALA A 27 -3.474 -2.966 -7.714 1.00 14.42 H ATOM 392 HB2 ALA A 27 -2.604 -4.497 -7.623 1.00 73.51 H ATOM 393 HB3 ALA A 27 -4.141 -4.304 -6.779 1.00 31.02 H ATOM 394 N HIS A 28 -3.875 -2.040 -4.313 1.00 11.23 N ATOM 395 CA HIS A 28 -4.496 -0.840 -3.761 1.00 72.54 C ATOM 396 C HIS A 28 -3.451 0.237 -3.487 1.00 61.13 C ATOM 397 O HIS A 28 -3.754 1.429 -3.511 1.00 73.00 O ATOM 398 CB HIS A 28 -5.249 -1.177 -2.474 1.00 53.32 C ATOM 399 CG HIS A 28 -6.681 -1.556 -2.699 1.00 53.31 C ATOM 400 ND1 HIS A 28 -7.600 -1.668 -1.677 1.00 23.43 N ATOM 401 CD2 HIS A 28 -7.352 -1.846 -3.839 1.00 3.14 C ATOM 402 CE1 HIS A 28 -8.772 -2.014 -2.177 1.00 63.41 C ATOM 403 NE2 HIS A 28 -8.649 -2.127 -3.487 1.00 53.02 N ATOM 404 H HIS A 28 -4.051 -2.906 -3.890 1.00 42.44 H ATOM 405 HA HIS A 28 -5.198 -0.465 -4.491 1.00 32.31 H ATOM 406 HB3 HIS A 28 -5.232 -0.318 -1.819 1.00 2.53 H ATOM 407 HD1 HIS A 28 -7.418 -1.520 -0.725 1.00 24.43 H ATOM 408 HD2 HIS A 28 -6.943 -1.854 -4.839 1.00 31.43 H ATOM 409 HE1 HIS A 28 -9.678 -2.176 -1.612 1.00 11.40 H ATOM 410 N GLN A 29 -2.221 -0.193 -3.225 1.00 63.44 N ATOM 411 CA GLN A 29 -1.132 0.735 -2.945 1.00 42.25 C ATOM 412 C GLN A 29 -0.242 0.916 -4.170 1.00 42.12 C ATOM 413 O GLN A 29 0.493 1.899 -4.276 1.00 22.01 O ATOM 414 CB GLN A 29 -0.299 0.235 -1.763 1.00 40.34 C ATOM 415 CG GLN A 29 0.321 -1.134 -1.993 1.00 2.14 C ATOM 416 CD GLN A 29 1.641 -1.306 -1.267 1.00 44.33 C ATOM 417 OE1 GLN A 29 2.660 -0.741 -1.666 1.00 41.21 O ATOM 418 NE2 GLN A 29 1.630 -2.089 -0.195 1.00 73.22 N ATOM 419 H GLN A 29 -2.042 -1.156 -3.221 1.00 4.43 H ATOM 420 HA GLN A 29 -1.567 1.688 -2.689 1.00 12.54 H ATOM 421 HB3 GLN A 29 -0.932 0.177 -0.892 1.00 33.44 H ATOM 422 HG3 GLN A 29 0.490 -1.266 -3.052 1.00 15.10 H ATOM 423 HE21 GLN A 29 0.781 -2.508 0.063 1.00 2.31 H ATOM 424 HE22 GLN A 29 2.469 -2.219 0.292 1.00 5.33 H ATOM 425 N ILE A 30 -0.311 -0.038 -5.092 1.00 53.12 N ATOM 426 CA ILE A 30 0.487 0.017 -6.310 1.00 63.34 C ATOM 427 C ILE A 30 0.281 1.337 -7.045 1.00 12.25 C ATOM 428 O ILE A 30 1.197 1.855 -7.683 1.00 23.54 O ATOM 429 CB ILE A 30 0.146 -1.145 -7.261 1.00 32.12 C ATOM 430 CG1 ILE A 30 1.012 -2.366 -6.943 1.00 11.02 C ATOM 431 CG2 ILE A 30 0.334 -0.718 -8.709 1.00 43.00 C ATOM 432 CD1 ILE A 30 1.134 -2.651 -5.462 1.00 14.43 C ATOM 433 H ILE A 30 -0.916 -0.796 -4.951 1.00 32.12 H ATOM 434 HA ILE A 30 1.528 -0.068 -6.030 1.00 30.22 H ATOM 435 HB ILE A 30 -0.893 -1.403 -7.120 1.00 61.23 H ATOM 436 HG13 ILE A 30 2.007 -2.203 -7.333 1.00 55.14 H ATOM 437 HG21 ILE A 30 -0.461 -0.045 -8.993 1.00 24.45 H ATOM 438 HG22 ILE A 30 1.284 -0.216 -8.814 1.00 62.21 H ATOM 439 HG23 ILE A 30 0.314 -1.588 -9.347 1.00 71.32 H ATOM 440 HD11 ILE A 30 1.648 -3.589 -5.318 1.00 23.23 H ATOM 441 HD12 ILE A 30 1.693 -1.857 -4.987 1.00 72.53 H ATOM 442 HD13 ILE A 30 0.148 -2.708 -5.024 1.00 62.24 H ATOM 443 N TYR A 31 -0.929 1.879 -6.948 1.00 63.32 N ATOM 444 CA TYR A 31 -1.256 3.139 -7.603 1.00 61.25 C ATOM 445 C TYR A 31 -1.361 4.271 -6.586 1.00 70.50 C ATOM 446 O TYR A 31 -1.930 5.324 -6.869 1.00 44.33 O ATOM 447 CB TYR A 31 -2.571 3.009 -8.375 1.00 5.31 C ATOM 448 CG TYR A 31 -3.718 2.495 -7.535 1.00 42.44 C ATOM 449 CD1 TYR A 31 -4.426 3.345 -6.696 1.00 21.12 C ATOM 450 CD2 TYR A 31 -4.093 1.158 -7.582 1.00 61.43 C ATOM 451 CE1 TYR A 31 -5.475 2.880 -5.926 1.00 21.40 C ATOM 452 CE2 TYR A 31 -5.141 0.684 -6.817 1.00 71.41 C ATOM 453 CZ TYR A 31 -5.829 1.548 -5.991 1.00 60.43 C ATOM 454 OH TYR A 31 -6.872 1.079 -5.227 1.00 33.45 O ATOM 455 H TYR A 31 -1.618 1.418 -6.425 1.00 13.33 H ATOM 456 HA TYR A 31 -0.462 3.367 -8.298 1.00 55.34 H ATOM 457 HB3 TYR A 31 -2.430 2.326 -9.200 1.00 3.44 H ATOM 458 HD1 TYR A 31 -4.147 4.387 -6.647 1.00 5.24 H ATOM 459 HD2 TYR A 31 -3.552 0.483 -8.230 1.00 21.25 H ATOM 460 HE1 TYR A 31 -6.014 3.556 -5.280 1.00 22.35 H ATOM 461 HE2 TYR A 31 -5.418 -0.359 -6.867 1.00 62.23 H ATOM 462 HH TYR A 31 -7.010 1.665 -4.480 1.00 35.53 H ATOM 463 N GLN A 32 -0.805 4.045 -5.400 1.00 35.42 N ATOM 464 CA GLN A 32 -0.836 5.045 -4.339 1.00 32.33 C ATOM 465 C GLN A 32 0.480 5.814 -4.279 1.00 31.43 C ATOM 466 O GLN A 32 0.512 6.979 -3.883 1.00 1.05 O ATOM 467 CB GLN A 32 -1.114 4.380 -2.989 1.00 4.11 C ATOM 468 CG GLN A 32 -2.593 4.168 -2.709 1.00 3.25 C ATOM 469 CD GLN A 32 -2.840 3.419 -1.414 1.00 64.14 C ATOM 470 OE1 GLN A 32 -1.913 3.162 -0.646 1.00 71.12 O ATOM 471 NE2 GLN A 32 -4.096 3.064 -1.166 1.00 5.32 N ATOM 472 H GLN A 32 -0.367 3.185 -5.233 1.00 52.12 H ATOM 473 HA GLN A 32 -1.634 5.738 -4.560 1.00 31.20 H ATOM 474 HB3 GLN A 32 -0.707 5.001 -2.205 1.00 24.50 H ATOM 475 HG3 GLN A 32 -3.023 3.604 -3.523 1.00 74.34 H ATOM 476 HE21 GLN A 32 -4.782 3.302 -1.824 1.00 41.34 H ATOM 477 HE22 GLN A 32 -4.284 2.578 -0.337 1.00 2.32 H ATOM 478 N PHE A 33 1.563 5.154 -4.673 1.00 4.22 N ATOM 479 CA PHE A 33 2.883 5.775 -4.662 1.00 51.31 C ATOM 480 C PHE A 33 3.198 6.406 -6.016 1.00 30.43 C ATOM 481 O PHE A 33 4.125 7.206 -6.141 1.00 4.14 O ATOM 482 CB PHE A 33 3.954 4.742 -4.307 1.00 2.34 C ATOM 483 CG PHE A 33 4.230 3.760 -5.409 1.00 71.11 C ATOM 484 CD1 PHE A 33 5.151 4.054 -6.402 1.00 54.41 C ATOM 485 CD2 PHE A 33 3.568 2.544 -5.452 1.00 72.35 C ATOM 486 CE1 PHE A 33 5.405 3.153 -7.418 1.00 41.25 C ATOM 487 CE2 PHE A 33 3.820 1.638 -6.467 1.00 35.53 C ATOM 488 CZ PHE A 33 4.740 1.942 -7.450 1.00 12.20 C ATOM 489 H PHE A 33 1.475 4.227 -4.978 1.00 35.32 H ATOM 490 HA PHE A 33 2.878 6.549 -3.911 1.00 1.04 H ATOM 491 HB3 PHE A 33 3.633 4.187 -3.438 1.00 31.12 H ATOM 492 HD1 PHE A 33 5.672 4.999 -6.378 1.00 42.40 H ATOM 493 HD2 PHE A 33 2.848 2.304 -4.683 1.00 51.31 H ATOM 494 HE1 PHE A 33 6.126 3.393 -8.186 1.00 34.33 H ATOM 495 HE2 PHE A 33 3.297 0.693 -6.488 1.00 25.35 H ATOM 496 HZ PHE A 33 4.937 1.237 -8.243 1.00 73.44 H ATOM 497 N THR A 34 2.420 6.037 -7.029 1.00 3.34 N ATOM 498 CA THR A 34 2.616 6.564 -8.374 1.00 22.42 C ATOM 499 C THR A 34 1.367 7.281 -8.870 1.00 53.52 C ATOM 500 O THR A 34 1.451 8.356 -9.466 1.00 0.15 O ATOM 501 CB THR A 34 2.981 5.445 -9.368 1.00 2.34 C ATOM 502 OG1 THR A 34 2.883 5.932 -10.710 1.00 61.14 O ATOM 503 CG2 THR A 34 2.066 4.243 -9.190 1.00 2.22 C ATOM 504 H THR A 34 1.698 5.395 -6.867 1.00 41.10 H ATOM 505 HA THR A 34 3.434 7.268 -8.340 1.00 25.14 H ATOM 506 HB THR A 34 3.999 5.135 -9.178 1.00 0.00 H ATOM 507 HG1 THR A 34 1.978 5.844 -11.017 1.00 14.11 H ATOM 508 HG21 THR A 34 2.376 3.453 -9.857 1.00 3.42 H ATOM 509 HG22 THR A 34 1.050 4.528 -9.417 1.00 73.15 H ATOM 510 HG23 THR A 34 2.123 3.895 -8.169 1.00 11.43 H ATOM 511 N ASP A 35 0.208 6.681 -8.623 1.00 14.34 N ATOM 512 CA ASP A 35 -1.061 7.264 -9.044 1.00 15.43 C ATOM 513 C ASP A 35 -1.073 7.510 -10.550 1.00 75.23 C ATOM 514 O ASP A 35 -1.202 8.647 -11.003 1.00 41.32 O ATOM 515 CB ASP A 35 -1.316 8.575 -8.299 1.00 50.14 C ATOM 516 CG ASP A 35 -2.651 9.196 -8.661 1.00 73.10 C ATOM 517 OD1 ASP A 35 -3.580 8.441 -9.015 1.00 34.35 O ATOM 518 OD2 ASP A 35 -2.767 10.438 -8.592 1.00 41.21 O ATOM 519 H ASP A 35 0.205 5.825 -8.145 1.00 14.25 H ATOM 520 HA ASP A 35 -1.845 6.564 -8.800 1.00 74.31 H ATOM 521 HB3 ASP A 35 -0.534 9.279 -8.543 1.00 72.54 H ATOM 522 N LYS A 36 -0.937 6.435 -11.320 1.00 42.52 N ATOM 523 CA LYS A 36 -0.932 6.533 -12.775 1.00 62.15 C ATOM 524 C LYS A 36 -2.262 7.076 -13.288 1.00 43.32 C ATOM 525 O LYS A 36 -2.294 7.907 -14.196 1.00 50.31 O ATOM 526 CB LYS A 36 -0.655 5.163 -13.397 1.00 25.40 C ATOM 527 CG LYS A 36 0.824 4.845 -13.537 1.00 4.55 C ATOM 528 CD LYS A 36 1.127 3.410 -13.143 1.00 34.42 C ATOM 529 CE LYS A 36 1.327 2.526 -14.364 1.00 52.24 C ATOM 530 NZ LYS A 36 2.708 2.638 -14.909 1.00 41.03 N1+ ATOM 531 H LYS A 36 -0.838 5.555 -10.900 1.00 21.25 H ATOM 532 HA LYS A 36 -0.145 7.213 -13.059 1.00 4.40 H ATOM 533 HB3 LYS A 36 -1.102 5.129 -14.380 1.00 52.23 H ATOM 534 HG3 LYS A 36 1.387 5.511 -12.898 1.00 3.35 H ATOM 535 HD3 LYS A 36 0.301 3.024 -12.561 1.00 2.03 H ATOM 536 HE3 LYS A 36 0.622 2.824 -15.127 1.00 1.54 H ATOM 537 HZ1 LYS A 36 3.379 2.846 -14.142 1.00 60.23 H ATOM 538 HZ2 LYS A 36 2.754 3.404 -15.612 1.00 13.33 H ATOM 539 HZ3 LYS A 36 2.985 1.746 -15.367 1.00 3.22 H ATOM 540 N ASP A 37 -3.355 6.603 -12.702 1.00 34.24 N ATOM 541 CA ASP A 37 -4.687 7.044 -13.098 1.00 71.10 C ATOM 542 C ASP A 37 -4.782 8.567 -13.087 1.00 71.10 C ATOM 543 O ASP A 37 -3.901 9.250 -12.565 1.00 11.51 O ATOM 544 CB ASP A 37 -5.744 6.449 -12.165 1.00 45.20 C ATOM 545 CG ASP A 37 -6.018 4.987 -12.459 1.00 4.44 C ATOM 546 OD1 ASP A 37 -6.658 4.699 -13.493 1.00 4.23 O ATOM 547 OD2 ASP A 37 -5.592 4.130 -11.656 1.00 14.41 O ATOM 548 H ASP A 37 -3.264 5.942 -11.983 1.00 22.13 H ATOM 549 HA ASP A 37 -4.868 6.691 -14.102 1.00 43.32 H ATOM 550 HB3 ASP A 37 -6.665 7.000 -12.277 1.00 40.01 H ATOM 551 N LYS A 38 -5.856 9.092 -13.668 1.00 24.30 N ATOM 552 CA LYS A 38 -6.066 10.534 -13.726 1.00 64.22 C ATOM 553 C LYS A 38 -5.984 11.152 -12.334 1.00 42.23 C ATOM 554 O LYS A 38 -4.985 11.779 -11.982 1.00 22.32 O ATOM 555 CB LYS A 38 -7.426 10.845 -14.355 1.00 3.10 C ATOM 556 CG LYS A 38 -7.756 12.328 -14.386 1.00 23.13 C ATOM 557 CD LYS A 38 -6.906 13.067 -15.406 1.00 1.23 C ATOM 558 CE LYS A 38 -7.766 13.796 -16.426 1.00 52.15 C ATOM 559 NZ LYS A 38 -6.957 14.693 -17.297 1.00 20.41 N1+ ATOM 560 H LYS A 38 -6.523 8.495 -14.067 1.00 32.32 H ATOM 561 HA LYS A 38 -5.288 10.958 -14.342 1.00 53.03 H ATOM 562 HB3 LYS A 38 -8.195 10.339 -13.790 1.00 73.23 H ATOM 563 HG3 LYS A 38 -7.574 12.748 -13.407 1.00 42.01 H ATOM 564 HD3 LYS A 38 -6.277 12.354 -15.922 1.00 11.33 H ATOM 565 HE3 LYS A 38 -8.502 14.386 -15.901 1.00 30.10 H ATOM 566 HZ1 LYS A 38 -7.226 15.684 -17.136 1.00 15.04 H ATOM 567 HZ2 LYS A 38 -7.117 14.460 -18.297 1.00 64.12 H ATOM 568 HZ3 LYS A 38 -5.946 14.580 -17.083 1.00 3.22 H ATOM 569 N ASP A 39 -7.039 10.970 -11.548 1.00 20.03 N ATOM 570 CA ASP A 39 -7.085 11.508 -10.193 1.00 42.12 C ATOM 571 C ASP A 39 -6.846 13.015 -10.199 1.00 44.12 C ATOM 572 O ASP A 39 -6.025 13.526 -9.438 1.00 72.20 O ATOM 573 CB ASP A 39 -6.042 10.818 -9.312 1.00 72.12 C ATOM 574 CG ASP A 39 -6.353 10.952 -7.834 1.00 14.21 C ATOM 575 OD1 ASP A 39 -7.460 10.545 -7.421 1.00 51.45 O ATOM 576 OD2 ASP A 39 -5.490 11.464 -7.091 1.00 34.20 O ATOM 577 H ASP A 39 -7.805 10.461 -11.887 1.00 21.33 H ATOM 578 HA ASP A 39 -8.067 11.314 -9.792 1.00 53.21 H ATOM 579 HB3 ASP A 39 -5.074 11.257 -9.500 1.00 30.25 H ATOM 580 N ASN A 40 -7.568 13.720 -11.063 1.00 42.53 N ATOM 581 CA ASN A 40 -7.434 15.169 -11.169 1.00 43.23 C ATOM 582 C ASN A 40 -5.970 15.569 -11.331 1.00 32.20 C ATOM 583 O ASN A 40 -5.490 16.487 -10.666 1.00 32.55 O ATOM 584 CB ASN A 40 -8.027 15.849 -9.933 1.00 53.05 C ATOM 585 CG ASN A 40 -9.543 15.863 -9.953 1.00 71.53 C ATOM 586 OD1 ASN A 40 -10.177 14.946 -10.477 1.00 32.42 O ATOM 587 ND2 ASN A 40 -10.132 16.906 -9.381 1.00 74.12 N ATOM 588 H ASN A 40 -8.206 13.256 -11.644 1.00 41.12 H ATOM 589 HA ASN A 40 -7.981 15.489 -12.043 1.00 43.32 H ATOM 590 HB3 ASN A 40 -7.676 16.868 -9.888 1.00 34.45 H ATOM 591 HD21 ASN A 40 -9.564 17.599 -8.984 1.00 70.41 H ATOM 592 HD22 ASN A 40 -11.112 16.940 -9.379 1.00 70.13 H ATOM 593 N VAL A 41 -5.267 14.874 -12.219 1.00 21.23 N ATOM 594 CA VAL A 41 -3.858 15.157 -12.469 1.00 52.12 C ATOM 595 C VAL A 41 -3.696 16.288 -13.479 1.00 13.33 C ATOM 596 O VAL A 41 -4.479 16.408 -14.422 1.00 5.23 O ATOM 597 CB VAL A 41 -3.119 13.910 -12.989 1.00 70.32 C ATOM 598 CG1 VAL A 41 -3.802 13.363 -14.232 1.00 71.24 C ATOM 599 CG2 VAL A 41 -1.660 14.235 -13.271 1.00 52.55 C ATOM 600 H VAL A 41 -5.705 14.154 -12.718 1.00 74.42 H ATOM 601 HA VAL A 41 -3.407 15.455 -11.534 1.00 62.30 H ATOM 602 HB VAL A 41 -3.154 13.150 -12.222 1.00 72.31 H ATOM 603 HG11 VAL A 41 -3.970 14.167 -14.934 1.00 23.21 H ATOM 604 HG12 VAL A 41 -3.175 12.611 -14.688 1.00 13.12 H ATOM 605 HG13 VAL A 41 -4.750 12.924 -13.958 1.00 72.23 H ATOM 606 HG21 VAL A 41 -1.229 14.731 -12.414 1.00 44.32 H ATOM 607 HG22 VAL A 41 -1.120 13.323 -13.470 1.00 73.54 H ATOM 608 HG23 VAL A 41 -1.596 14.885 -14.132 1.00 43.24 H ATOM 609 N ALA A 42 -2.677 17.114 -13.275 1.00 5.14 N ATOM 610 CA ALA A 42 -2.410 18.235 -14.168 1.00 1.22 C ATOM 611 C ALA A 42 -1.801 17.756 -15.481 1.00 45.05 C ATOM 612 O ALA A 42 -1.262 16.653 -15.578 1.00 51.33 O ATOM 613 CB ALA A 42 -1.489 19.241 -13.494 1.00 34.01 C ATOM 614 H ALA A 42 -2.088 16.967 -12.505 1.00 20.40 H ATOM 615 HA ALA A 42 -3.349 18.726 -14.377 1.00 14.13 H ATOM 616 HB1 ALA A 42 -0.622 19.407 -14.115 1.00 51.44 H ATOM 617 HB2 ALA A 42 -2.017 20.174 -13.353 1.00 62.55 H ATOM 618 HB3 ALA A 42 -1.177 18.856 -12.534 1.00 72.13 H ATOM 619 N PRO A 43 -1.889 18.603 -16.519 1.00 25.22 N ATOM 620 CA PRO A 43 -1.351 18.287 -17.846 1.00 3.23 C ATOM 621 C PRO A 43 0.174 18.266 -17.864 1.00 11.23 C ATOM 622 O PRO A 43 0.784 17.389 -18.474 1.00 1.21 O ATOM 623 CB PRO A 43 -1.881 19.424 -18.722 1.00 43.33 C ATOM 624 CG PRO A 43 -2.105 20.557 -17.780 1.00 70.22 C ATOM 625 CD PRO A 43 -2.517 19.933 -16.475 1.00 42.40 C ATOM 626 HA PRO A 43 -1.727 17.343 -18.211 1.00 74.13 H ATOM 627 HB3 PRO A 43 -2.801 19.119 -19.197 1.00 73.12 H ATOM 628 HG3 PRO A 43 -2.891 21.195 -18.154 1.00 62.03 H ATOM 629 HD3 PRO A 43 -3.593 19.849 -16.420 1.00 5.31 H ATOM 630 N ARG A 44 0.782 19.238 -17.192 1.00 23.24 N ATOM 631 CA ARG A 44 2.236 19.331 -17.132 1.00 53.14 C ATOM 632 C ARG A 44 2.845 18.024 -16.634 1.00 71.03 C ATOM 633 O ARG A 44 3.951 17.654 -17.026 1.00 32.22 O ATOM 634 CB ARG A 44 2.657 20.484 -16.218 1.00 62.51 C ATOM 635 CG ARG A 44 3.816 21.301 -16.764 1.00 35.14 C ATOM 636 CD ARG A 44 4.781 21.704 -15.660 1.00 2.32 C ATOM 637 NE ARG A 44 4.557 23.076 -15.211 1.00 23.14 N ATOM 638 CZ ARG A 44 5.403 23.741 -14.430 1.00 72.01 C ATOM 639 NH1 ARG A 44 6.522 23.163 -14.017 1.00 1.02 N ATOM 640 NH2 ARG A 44 5.128 24.986 -14.063 1.00 3.44 N ATOM 641 H ARG A 44 0.240 19.909 -16.725 1.00 64.12 H ATOM 642 HA ARG A 44 2.597 19.526 -18.131 1.00 31.21 H ATOM 643 HB3 ARG A 44 2.950 20.079 -15.260 1.00 61.14 H ATOM 644 HG3 ARG A 44 3.425 22.193 -17.232 1.00 24.44 H ATOM 645 HD3 ARG A 44 5.791 21.618 -16.035 1.00 12.53 H ATOM 646 HE ARG A 44 3.736 23.521 -15.505 1.00 14.55 H ATOM 647 HH11 ARG A 44 6.732 22.226 -14.292 1.00 74.31 H ATOM 648 HH12 ARG A 44 7.157 23.667 -13.430 1.00 35.21 H ATOM 649 HH21 ARG A 44 4.286 25.425 -14.374 1.00 71.32 H ATOM 650 HH22 ARG A 44 5.765 25.485 -13.477 1.00 11.45 H ATOM 651 N SER A 45 2.113 17.329 -15.768 1.00 2.02 N ATOM 652 CA SER A 45 2.583 16.065 -15.213 1.00 31.50 C ATOM 653 C SER A 45 1.824 14.889 -15.821 1.00 55.32 C ATOM 654 O SER A 45 1.197 14.104 -15.109 1.00 24.31 O ATOM 655 CB SER A 45 2.420 16.060 -13.692 1.00 61.12 C ATOM 656 OG SER A 45 3.518 16.695 -13.059 1.00 44.25 O ATOM 657 H SER A 45 1.239 17.677 -15.494 1.00 61.33 H ATOM 658 HA SER A 45 3.631 15.965 -15.455 1.00 40.02 H ATOM 659 HB3 SER A 45 2.360 15.039 -13.342 1.00 43.53 H ATOM 660 HG SER A 45 3.288 17.604 -12.857 1.00 0.34 H ATOM 661 N LYS A 46 1.885 14.774 -17.144 1.00 12.34 N ATOM 662 CA LYS A 46 1.205 13.695 -17.850 1.00 10.24 C ATOM 663 C LYS A 46 2.211 12.766 -18.522 1.00 1.44 C ATOM 664 O LYS A 46 2.291 12.707 -19.749 1.00 71.51 O ATOM 665 CB LYS A 46 0.246 14.267 -18.896 1.00 51.20 C ATOM 666 CG LYS A 46 -0.589 13.211 -19.599 1.00 35.20 C ATOM 667 CD LYS A 46 -1.903 12.966 -18.875 1.00 52.11 C ATOM 668 CE LYS A 46 -3.000 12.542 -19.840 1.00 42.02 C ATOM 669 NZ LYS A 46 -3.788 13.706 -20.330 1.00 43.53 N1+ ATOM 670 H LYS A 46 2.401 15.432 -17.657 1.00 75.12 H ATOM 671 HA LYS A 46 0.639 13.129 -17.126 1.00 1.32 H ATOM 672 HB3 LYS A 46 0.821 14.797 -19.642 1.00 52.22 H ATOM 673 HG3 LYS A 46 -0.030 12.287 -19.632 1.00 23.32 H ATOM 674 HD3 LYS A 46 -2.205 13.877 -18.379 1.00 2.12 H ATOM 675 HE3 LYS A 46 -3.662 11.858 -19.332 1.00 35.42 H ATOM 676 HZ1 LYS A 46 -4.267 14.174 -19.534 1.00 72.14 H ATOM 677 HZ2 LYS A 46 -4.505 13.390 -21.014 1.00 64.02 H ATOM 678 HZ3 LYS A 46 -3.160 14.393 -20.796 1.00 20.34 H ATOM 679 N ILE A 47 2.975 12.044 -17.710 1.00 60.33 N ATOM 680 CA ILE A 47 3.974 11.115 -18.227 1.00 13.20 C ATOM 681 C ILE A 47 3.999 9.826 -17.414 1.00 41.10 C ATOM 682 O ILE A 47 3.501 9.779 -16.290 1.00 30.03 O ATOM 683 CB ILE A 47 5.381 11.742 -18.220 1.00 1.14 C ATOM 684 CG1 ILE A 47 5.303 13.230 -18.564 1.00 54.40 C ATOM 685 CG2 ILE A 47 6.290 11.013 -19.198 1.00 1.02 C ATOM 686 CD1 ILE A 47 6.642 13.932 -18.518 1.00 52.42 C ATOM 687 H ILE A 47 2.865 12.135 -16.741 1.00 51.14 H ATOM 688 HA ILE A 47 3.712 10.880 -19.249 1.00 24.23 H ATOM 689 HB ILE A 47 5.795 11.631 -17.229 1.00 61.32 H ATOM 690 HG13 ILE A 47 4.645 13.721 -17.861 1.00 23.25 H ATOM 691 HG21 ILE A 47 6.835 11.734 -19.789 1.00 14.41 H ATOM 692 HG22 ILE A 47 6.988 10.398 -18.650 1.00 1.31 H ATOM 693 HG23 ILE A 47 5.694 10.391 -19.848 1.00 63.30 H ATOM 694 HD11 ILE A 47 7.317 13.378 -17.883 1.00 32.12 H ATOM 695 HD12 ILE A 47 7.054 13.989 -19.515 1.00 54.43 H ATOM 696 HD13 ILE A 47 6.513 14.929 -18.124 1.00 11.32 H ATOM 697 N SER A 48 4.585 8.781 -17.990 1.00 41.24 N ATOM 698 CA SER A 48 4.674 7.489 -17.321 1.00 33.12 C ATOM 699 C SER A 48 5.914 6.726 -17.775 1.00 24.41 C ATOM 700 O SER A 48 5.835 5.753 -18.527 1.00 0.22 O ATOM 701 CB SER A 48 3.420 6.658 -17.599 1.00 53.41 C ATOM 702 OG SER A 48 2.419 6.903 -16.626 1.00 13.31 O ATOM 703 H SER A 48 4.963 8.882 -18.889 1.00 71.53 H ATOM 704 HA SER A 48 4.747 7.671 -16.259 1.00 31.51 H ATOM 705 HB3 SER A 48 3.674 5.609 -17.580 1.00 61.31 H ATOM 706 HG SER A 48 2.642 6.442 -15.814 1.00 11.50 H ATOM 707 N PRO A 49 7.089 7.176 -17.310 1.00 60.51 N ATOM 708 CA PRO A 49 8.369 6.549 -17.655 1.00 2.35 C ATOM 709 C PRO A 49 8.532 5.174 -17.017 1.00 34.02 C ATOM 710 O PRO A 49 9.374 4.382 -17.438 1.00 61.12 O ATOM 711 CB PRO A 49 9.404 7.527 -17.090 1.00 62.42 C ATOM 712 CG PRO A 49 8.696 8.232 -15.986 1.00 2.22 C ATOM 713 CD PRO A 49 7.258 8.329 -16.410 1.00 53.22 C ATOM 714 HA PRO A 49 8.495 6.467 -18.724 1.00 11.24 H ATOM 715 HB3 PRO A 49 9.714 8.214 -17.863 1.00 70.25 H ATOM 716 HG3 PRO A 49 9.115 9.219 -15.853 1.00 21.42 H ATOM 717 HD3 PRO A 49 7.081 9.256 -16.936 1.00 62.14 H ATOM 718 N GLN A 50 7.721 4.897 -16.002 1.00 13.43 N ATOM 719 CA GLN A 50 7.776 3.616 -15.308 1.00 22.05 C ATOM 720 C GLN A 50 9.150 3.395 -14.683 1.00 63.33 C ATOM 721 O GLN A 50 10.006 2.730 -15.265 1.00 62.41 O ATOM 722 CB GLN A 50 7.450 2.475 -16.272 1.00 30.55 C ATOM 723 CG GLN A 50 6.103 2.625 -16.959 1.00 34.03 C ATOM 724 CD GLN A 50 6.135 2.188 -18.409 1.00 52.04 C ATOM 725 OE1 GLN A 50 5.764 1.061 -18.739 1.00 23.20 O ATOM 726 NE2 GLN A 50 6.579 3.080 -19.287 1.00 65.55 N ATOM 727 H GLN A 50 7.070 5.570 -15.713 1.00 34.54 H ATOM 728 HA GLN A 50 7.037 3.634 -14.521 1.00 20.02 H ATOM 729 HB3 GLN A 50 7.449 1.545 -15.723 1.00 35.14 H ATOM 730 HG3 GLN A 50 5.805 3.662 -16.917 1.00 22.13 H ATOM 731 HE21 GLN A 50 6.859 3.958 -18.952 1.00 21.30 H ATOM 732 HE22 GLN A 50 6.612 2.823 -20.232 1.00 22.34 H ATOM 733 N GLY A 51 9.354 3.958 -13.496 1.00 74.11 N ATOM 734 CA GLY A 51 10.627 3.810 -12.814 1.00 14.14 C ATOM 735 C GLY A 51 11.032 2.359 -12.652 1.00 60.41 C ATOM 736 O GLY A 51 10.512 1.654 -11.786 1.00 14.41 O ATOM 737 H GLY A 51 8.635 4.477 -13.081 1.00 31.23 H ATOM 738 HA2 GLY A 51 11.388 4.325 -13.380 1.00 43.42 H ATOM 739 HA3 GLY A 51 10.552 4.262 -11.836 1.00 41.01 H ATOM 740 N TYR A 52 11.963 1.909 -13.486 1.00 22.25 N ATOM 741 CA TYR A 52 12.436 0.532 -13.433 1.00 74.45 C ATOM 742 C TYR A 52 13.558 0.378 -12.412 1.00 12.31 C ATOM 743 O TYR A 52 14.172 1.376 -12.036 1.00 64.21 O ATOM 744 CB TYR A 52 12.921 0.084 -14.813 1.00 4.10 C ATOM 745 CG TYR A 52 11.985 0.463 -15.938 1.00 74.51 C ATOM 746 CD1 TYR A 52 10.760 -0.175 -16.093 1.00 24.41 C ATOM 747 CD2 TYR A 52 12.324 1.459 -16.844 1.00 10.21 C ATOM 748 CE1 TYR A 52 9.902 0.167 -17.120 1.00 15.11 C ATOM 749 CE2 TYR A 52 11.471 1.810 -17.873 1.00 63.30 C ATOM 750 CZ TYR A 52 10.262 1.161 -18.007 1.00 72.35 C ATOM 751 OH TYR A 52 9.409 1.505 -19.030 1.00 53.34 O ATOM 752 H TYR A 52 12.341 2.519 -14.154 1.00 51.05 H ATOM 753 HA TYR A 52 11.606 -0.093 -13.136 1.00 14.44 H ATOM 754 HB3 TYR A 52 13.029 -0.992 -14.818 1.00 2.44 H ATOM 755 HD1 TYR A 52 10.481 -0.952 -15.396 1.00 22.41 H ATOM 756 HD2 TYR A 52 13.272 1.966 -16.737 1.00 65.11 H ATOM 757 HE1 TYR A 52 8.955 -0.341 -17.225 1.00 15.44 H ATOM 758 HE2 TYR A 52 11.752 2.587 -18.568 1.00 13.21 H ATOM 759 HH TYR A 52 9.773 1.204 -19.865 1.00 42.15 H HETATM 760 N NH2 A 53 13.799 -0.855 -11.990 1.00 20.02 N HETATM 761 HN1 NH2 A 53 13.257 -1.618 -12.340 1.00 51.54 H HETATM 762 HN2 NH2 A 53 14.522 -1.021 -11.320 1.00 62.21 H TER 763 NH2 A 53