USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 496 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 SER OG : rot 55:sc= 0.351 USER MOD Set 1.2: A 67 ASN : amide:sc= -9.42! C(o=-9.1!,f=-11!) USER MOD Set 2.1: A 1 MET N :NH3+ -123:sc= 0.794 (180deg=-0.0411!) USER MOD Set 2.2: A 2 GLN : amide:sc= -4.88! C(o=-4.1!,f=-8.3!) USER MOD Single : A 1 MET CE :methyl 169:sc= -1.87 (180deg=-2.46) USER MOD Single : A 4 LYS NZ :NH3+ 152:sc= -1.6 (180deg=-3.32!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0651 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -55:sc= 1.19 USER MOD Single : A 13 ASN : amide:sc= -0.912 K(o=-0.91,f=-3.7!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -4.37! USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.00293) USER MOD Single : A 22 ASN : amide:sc= -4.16! C(o=-4.2!,f=-3.4!) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= -4.41! (180deg=-5.59!) USER MOD Single : A 28 SER OG : rot -170:sc= -1.87! USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 38 LYS NZ :NH3+ -145:sc= -0.267 (180deg=-1.81!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -57:sc= -0.38! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 73:sc= 1.09 USER MOD Single : A 63 THR OG1 : rot 68:sc= 0.989 USER MOD Single : A 65 ASN : amide:sc= -4.64! C(o=-4.6!,f=-5.2!) USER MOD Single : A 68 HIS : no HE2:sc= -6.01! C(o=-6!,f=-9.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.931 11.801 -0.826 1.00 0.00 N ATOM 2 CA MET A 1 10.885 10.962 -0.174 1.00 0.00 C ATOM 3 C MET A 1 11.095 9.499 -0.540 1.00 0.00 C ATOM 4 O MET A 1 11.729 9.172 -1.523 1.00 0.00 O ATOM 5 CB MET A 1 9.498 11.378 -0.662 1.00 0.00 C ATOM 6 CG MET A 1 9.439 11.220 -2.176 1.00 0.00 C ATOM 7 SD MET A 1 10.247 12.634 -2.968 1.00 0.00 S ATOM 8 CE MET A 1 10.920 11.747 -4.393 1.00 0.00 C ATOM 0 H1 MET A 1 12.447 12.339 -0.100 1.00 0.00 H new ATOM 0 H2 MET A 1 12.596 11.189 -1.341 1.00 0.00 H new ATOM 0 H3 MET A 1 11.481 12.461 -1.492 1.00 0.00 H new ATOM 0 HA MET A 1 10.959 11.098 0.905 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.732 10.763 -0.189 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.295 12.412 -0.383 1.00 0.00 H new ATOM 0 HG2 MET A 1 9.930 10.294 -2.474 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.402 11.151 -2.504 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.297 12.464 -5.123 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.734 11.099 -4.067 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.136 11.143 -4.849 1.00 0.00 H new ATOM 20 N GLN A 2 10.531 8.623 0.233 1.00 0.00 N ATOM 21 CA GLN A 2 10.641 7.178 -0.044 1.00 0.00 C ATOM 22 C GLN A 2 9.429 6.504 0.586 1.00 0.00 C ATOM 23 O GLN A 2 9.120 6.729 1.739 1.00 0.00 O ATOM 24 CB GLN A 2 11.922 6.607 0.578 1.00 0.00 C ATOM 25 CG GLN A 2 13.144 7.363 0.055 1.00 0.00 C ATOM 26 CD GLN A 2 13.352 8.632 0.883 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.023 8.670 2.052 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.890 9.682 0.323 1.00 0.00 N ATOM 0 H GLN A 2 9.987 8.857 1.063 1.00 0.00 H new ATOM 0 HA GLN A 2 10.679 7.002 -1.119 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.874 6.685 1.664 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.011 5.547 0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.029 6.729 0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.004 7.620 -0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.167 9.651 -0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 2 14.034 10.533 0.867 1.00 0.00 H new ATOM 37 N CYS A 3 8.733 5.690 -0.145 1.00 0.00 N ATOM 38 CA CYS A 3 7.550 5.024 0.448 1.00 0.00 C ATOM 39 C CYS A 3 7.473 3.586 -0.084 1.00 0.00 C ATOM 40 O CYS A 3 7.644 3.347 -1.264 1.00 0.00 O ATOM 41 CB CYS A 3 6.262 5.817 0.106 1.00 0.00 C ATOM 42 SG CYS A 3 5.417 5.090 -1.323 1.00 0.00 S ATOM 0 H CYS A 3 8.929 5.458 -1.119 1.00 0.00 H new ATOM 0 HA CYS A 3 7.642 4.997 1.534 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.593 5.821 0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 3 6.515 6.856 -0.106 1.00 0.00 H new ATOM 47 N LYS A 4 7.205 2.630 0.760 1.00 0.00 N ATOM 48 CA LYS A 4 7.108 1.228 0.269 1.00 0.00 C ATOM 49 C LYS A 4 5.739 1.028 -0.378 1.00 0.00 C ATOM 50 O LYS A 4 4.716 1.178 0.259 1.00 0.00 O ATOM 51 CB LYS A 4 7.275 0.256 1.437 1.00 0.00 C ATOM 52 CG LYS A 4 8.715 -0.254 1.474 1.00 0.00 C ATOM 53 CD LYS A 4 8.805 -1.585 0.727 1.00 0.00 C ATOM 54 CE LYS A 4 9.283 -1.333 -0.703 1.00 0.00 C ATOM 55 NZ LYS A 4 8.103 -1.171 -1.599 1.00 0.00 N ATOM 0 H LYS A 4 7.050 2.757 1.760 1.00 0.00 H new ATOM 0 HA LYS A 4 7.894 1.037 -0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.030 0.753 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.584 -0.580 1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.383 0.477 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.040 -0.382 2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.494 -2.256 1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.831 -2.075 0.716 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.905 -0.439 -0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.900 -2.164 -1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.358 -0.562 -2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.805 -2.103 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.322 -0.735 -1.069 1.00 0.00 H new ATOM 69 N THR A 5 5.707 0.704 -1.641 1.00 0.00 N ATOM 70 CA THR A 5 4.398 0.512 -2.328 1.00 0.00 C ATOM 71 C THR A 5 3.879 -0.909 -2.092 1.00 0.00 C ATOM 72 O THR A 5 3.458 -1.584 -3.012 1.00 0.00 O ATOM 73 CB THR A 5 4.570 0.753 -3.829 1.00 0.00 C ATOM 74 OG1 THR A 5 5.843 0.276 -4.242 1.00 0.00 O ATOM 75 CG2 THR A 5 4.465 2.251 -4.123 1.00 0.00 C ATOM 0 H THR A 5 6.530 0.564 -2.227 1.00 0.00 H new ATOM 0 HA THR A 5 3.677 1.222 -1.923 1.00 0.00 H new ATOM 0 HB THR A 5 3.789 0.222 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.953 0.429 -5.204 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.588 2.421 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.488 2.616 -3.807 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.245 2.784 -3.579 1.00 0.00 H new ATOM 83 N CYS A 6 3.903 -1.368 -0.867 1.00 0.00 N ATOM 84 CA CYS A 6 3.402 -2.743 -0.561 1.00 0.00 C ATOM 85 C CYS A 6 3.069 -2.818 0.930 1.00 0.00 C ATOM 86 O CYS A 6 3.851 -2.416 1.766 1.00 0.00 O ATOM 87 CB CYS A 6 4.461 -3.811 -0.891 1.00 0.00 C ATOM 88 SG CYS A 6 5.851 -3.091 -1.810 1.00 0.00 S ATOM 0 H CYS A 6 4.250 -0.847 -0.061 1.00 0.00 H new ATOM 0 HA CYS A 6 2.519 -2.937 -1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.826 -4.263 0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.007 -4.609 -1.479 1.00 0.00 H new ATOM 93 N SER A 7 1.920 -3.333 1.275 1.00 0.00 N ATOM 94 CA SER A 7 1.554 -3.432 2.719 1.00 0.00 C ATOM 95 C SER A 7 2.134 -4.725 3.295 1.00 0.00 C ATOM 96 O SER A 7 1.473 -5.457 4.005 1.00 0.00 O ATOM 97 CB SER A 7 0.031 -3.445 2.863 1.00 0.00 C ATOM 98 OG SER A 7 -0.314 -3.222 4.224 1.00 0.00 O ATOM 0 H SER A 7 1.221 -3.688 0.623 1.00 0.00 H new ATOM 0 HA SER A 7 1.958 -2.576 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 7 -0.412 -2.674 2.233 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.370 -4.401 2.526 1.00 0.00 H new ATOM 0 HG SER A 7 0.098 -2.388 4.534 1.00 0.00 H new ATOM 104 N PHE A 8 3.369 -5.012 2.983 1.00 0.00 N ATOM 105 CA PHE A 8 4.010 -6.255 3.488 1.00 0.00 C ATOM 106 C PHE A 8 3.495 -7.452 2.704 1.00 0.00 C ATOM 107 O PHE A 8 3.913 -8.574 2.914 1.00 0.00 O ATOM 108 CB PHE A 8 3.696 -6.442 4.963 1.00 0.00 C ATOM 109 CG PHE A 8 4.899 -7.032 5.668 1.00 0.00 C ATOM 110 CD1 PHE A 8 5.824 -7.808 4.954 1.00 0.00 C ATOM 111 CD2 PHE A 8 5.085 -6.808 7.036 1.00 0.00 C ATOM 112 CE1 PHE A 8 6.931 -8.358 5.612 1.00 0.00 C ATOM 113 CE2 PHE A 8 6.192 -7.356 7.693 1.00 0.00 C ATOM 114 CZ PHE A 8 7.114 -8.132 6.981 1.00 0.00 C ATOM 0 H PHE A 8 3.965 -4.431 2.394 1.00 0.00 H new ATOM 0 HA PHE A 8 5.089 -6.173 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.431 -5.485 5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.834 -7.099 5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 8 5.683 -7.981 3.897 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.373 -6.211 7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.643 -8.956 5.063 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.335 -7.180 8.749 1.00 0.00 H new ATOM 0 HZ PHE A 8 7.967 -8.557 7.489 1.00 0.00 H new ATOM 124 N TYR A 9 2.610 -7.222 1.781 1.00 0.00 N ATOM 125 CA TYR A 9 2.094 -8.341 0.965 1.00 0.00 C ATOM 126 C TYR A 9 3.249 -8.886 0.127 1.00 0.00 C ATOM 127 O TYR A 9 3.133 -9.913 -0.510 1.00 0.00 O ATOM 128 CB TYR A 9 0.965 -7.821 0.063 1.00 0.00 C ATOM 129 CG TYR A 9 0.812 -8.703 -1.154 1.00 0.00 C ATOM 130 CD1 TYR A 9 0.548 -10.068 -1.002 1.00 0.00 C ATOM 131 CD2 TYR A 9 0.937 -8.150 -2.434 1.00 0.00 C ATOM 132 CE1 TYR A 9 0.407 -10.881 -2.131 1.00 0.00 C ATOM 133 CE2 TYR A 9 0.796 -8.963 -3.563 1.00 0.00 C ATOM 134 CZ TYR A 9 0.531 -10.329 -3.412 1.00 0.00 C ATOM 135 OH TYR A 9 0.393 -11.131 -4.527 1.00 0.00 O ATOM 0 H TYR A 9 2.223 -6.305 1.558 1.00 0.00 H new ATOM 0 HA TYR A 9 1.695 -9.137 1.594 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.029 -7.795 0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.180 -6.798 -0.246 1.00 0.00 H new ATOM 0 HD1 TYR A 9 0.453 -10.494 -0.014 1.00 0.00 H new ATOM 0 HD2 TYR A 9 1.142 -7.096 -2.549 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.202 -11.935 -2.015 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.892 -8.537 -4.551 1.00 0.00 H new ATOM 0 HH TYR A 9 0.507 -10.589 -5.336 1.00 0.00 H new ATOM 145 N THR A 10 4.367 -8.202 0.114 1.00 0.00 N ATOM 146 CA THR A 10 5.511 -8.696 -0.700 1.00 0.00 C ATOM 147 C THR A 10 6.693 -7.725 -0.621 1.00 0.00 C ATOM 148 O THR A 10 7.453 -7.605 -1.561 1.00 0.00 O ATOM 149 CB THR A 10 5.063 -8.782 -2.152 1.00 0.00 C ATOM 150 OG1 THR A 10 6.135 -9.261 -2.954 1.00 0.00 O ATOM 151 CG2 THR A 10 4.657 -7.383 -2.608 1.00 0.00 C ATOM 0 H THR A 10 4.532 -7.335 0.626 1.00 0.00 H new ATOM 0 HA THR A 10 5.823 -9.669 -0.320 1.00 0.00 H new ATOM 0 HB THR A 10 4.221 -9.467 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.920 -8.689 -2.826 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.332 -7.419 -3.648 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.840 -7.020 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.509 -6.709 -2.518 1.00 0.00 H new ATOM 159 N CYS A 11 6.859 -7.011 0.458 1.00 0.00 N ATOM 160 CA CYS A 11 8.000 -6.053 0.505 1.00 0.00 C ATOM 161 C CYS A 11 8.698 -6.086 1.867 1.00 0.00 C ATOM 162 O CYS A 11 8.357 -5.339 2.760 1.00 0.00 O ATOM 163 CB CYS A 11 7.483 -4.643 0.214 1.00 0.00 C ATOM 164 SG CYS A 11 7.350 -4.422 -1.577 1.00 0.00 S ATOM 0 H CYS A 11 6.270 -7.046 1.290 1.00 0.00 H new ATOM 0 HA CYS A 11 8.731 -6.344 -0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.511 -4.494 0.685 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.159 -3.900 0.636 1.00 0.00 H new ATOM 169 N PRO A 12 9.682 -6.944 1.967 1.00 0.00 N ATOM 170 CA PRO A 12 10.488 -7.092 3.190 1.00 0.00 C ATOM 171 C PRO A 12 11.563 -6.000 3.230 1.00 0.00 C ATOM 172 O PRO A 12 12.221 -5.796 4.232 1.00 0.00 O ATOM 173 CB PRO A 12 11.135 -8.469 3.027 1.00 0.00 C ATOM 174 CG PRO A 12 11.139 -8.770 1.508 1.00 0.00 C ATOM 175 CD PRO A 12 10.073 -7.855 0.873 1.00 0.00 C ATOM 0 HA PRO A 12 9.907 -7.004 4.108 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.149 -8.472 3.427 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.575 -9.229 3.573 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.122 -8.576 1.078 1.00 0.00 H new ATOM 0 HG3 PRO A 12 10.910 -9.819 1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.475 -7.306 0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.221 -8.429 0.509 1.00 0.00 H new ATOM 183 N ASN A 13 11.753 -5.309 2.135 1.00 0.00 N ATOM 184 CA ASN A 13 12.793 -4.240 2.088 1.00 0.00 C ATOM 185 C ASN A 13 12.127 -2.861 1.967 1.00 0.00 C ATOM 186 O ASN A 13 11.098 -2.608 2.560 1.00 0.00 O ATOM 187 CB ASN A 13 13.704 -4.484 0.883 1.00 0.00 C ATOM 188 CG ASN A 13 15.090 -3.900 1.159 1.00 0.00 C ATOM 189 OD1 ASN A 13 15.398 -3.539 2.277 1.00 0.00 O ATOM 190 ND2 ASN A 13 15.946 -3.793 0.179 1.00 0.00 N ATOM 0 H ASN A 13 11.230 -5.440 1.269 1.00 0.00 H new ATOM 0 HA ASN A 13 13.381 -4.264 3.005 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.782 -5.553 0.684 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.276 -4.025 -0.008 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.874 -3.406 0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.687 -4.096 -0.760 1.00 0.00 H new ATOM 197 N SER A 14 12.714 -1.961 1.216 1.00 0.00 N ATOM 198 CA SER A 14 12.117 -0.598 1.078 1.00 0.00 C ATOM 199 C SER A 14 12.183 -0.138 -0.384 1.00 0.00 C ATOM 200 O SER A 14 12.783 -0.783 -1.221 1.00 0.00 O ATOM 201 CB SER A 14 12.907 0.381 1.944 1.00 0.00 C ATOM 202 OG SER A 14 14.254 -0.061 2.039 1.00 0.00 O ATOM 0 H SER A 14 13.578 -2.111 0.695 1.00 0.00 H new ATOM 0 HA SER A 14 11.075 -0.629 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.869 1.380 1.511 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.463 0.447 2.937 1.00 0.00 H new ATOM 0 HG SER A 14 14.766 0.565 2.593 1.00 0.00 H new ATOM 208 N GLU A 15 11.571 0.979 -0.697 1.00 0.00 N ATOM 209 CA GLU A 15 11.605 1.478 -2.102 1.00 0.00 C ATOM 210 C GLU A 15 11.277 2.979 -2.149 1.00 0.00 C ATOM 211 O GLU A 15 10.172 3.399 -1.859 1.00 0.00 O ATOM 212 CB GLU A 15 10.581 0.710 -2.941 1.00 0.00 C ATOM 213 CG GLU A 15 10.887 0.911 -4.426 1.00 0.00 C ATOM 214 CD GLU A 15 10.110 -0.116 -5.252 1.00 0.00 C ATOM 215 OE1 GLU A 15 8.927 -0.278 -4.997 1.00 0.00 O ATOM 216 OE2 GLU A 15 10.710 -0.725 -6.122 1.00 0.00 O ATOM 0 H GLU A 15 11.052 1.563 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 15 12.606 1.323 -2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.613 -0.351 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.574 1.060 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.613 1.921 -4.731 1.00 0.00 H new ATOM 0 HG3 GLU A 15 11.957 0.803 -4.605 1.00 0.00 H new ATOM 223 N THR A 16 12.235 3.785 -2.524 1.00 0.00 N ATOM 224 CA THR A 16 12.004 5.257 -2.613 1.00 0.00 C ATOM 225 C THR A 16 10.878 5.536 -3.624 1.00 0.00 C ATOM 226 O THR A 16 10.503 4.676 -4.395 1.00 0.00 O ATOM 227 CB THR A 16 13.307 5.934 -3.072 1.00 0.00 C ATOM 228 OG1 THR A 16 14.160 6.119 -1.951 1.00 0.00 O ATOM 229 CG2 THR A 16 13.008 7.294 -3.709 1.00 0.00 C ATOM 0 H THR A 16 13.177 3.483 -2.775 1.00 0.00 H new ATOM 0 HA THR A 16 11.711 5.653 -1.641 1.00 0.00 H new ATOM 0 HB THR A 16 13.793 5.297 -3.811 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.992 6.549 -2.240 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.941 7.759 -4.028 1.00 0.00 H new ATOM 0 HG22 THR A 16 12.357 7.156 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 16 12.513 7.936 -2.980 1.00 0.00 H new ATOM 237 N CYS A 17 10.338 6.731 -3.627 1.00 0.00 N ATOM 238 CA CYS A 17 9.241 7.047 -4.592 1.00 0.00 C ATOM 239 C CYS A 17 9.825 7.669 -5.865 1.00 0.00 C ATOM 240 O CYS A 17 10.952 8.123 -5.875 1.00 0.00 O ATOM 241 CB CYS A 17 8.251 8.029 -3.958 1.00 0.00 C ATOM 242 SG CYS A 17 6.903 7.119 -3.187 1.00 0.00 S ATOM 0 H CYS A 17 10.608 7.495 -3.008 1.00 0.00 H new ATOM 0 HA CYS A 17 8.722 6.122 -4.845 1.00 0.00 H new ATOM 0 HB2 CYS A 17 8.759 8.644 -3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.858 8.706 -4.717 1.00 0.00 H new ATOM 247 N PRO A 18 9.031 7.657 -6.908 1.00 0.00 N ATOM 248 CA PRO A 18 9.422 8.196 -8.224 1.00 0.00 C ATOM 249 C PRO A 18 9.284 9.724 -8.269 1.00 0.00 C ATOM 250 O PRO A 18 8.608 10.324 -7.457 1.00 0.00 O ATOM 251 CB PRO A 18 8.414 7.554 -9.181 1.00 0.00 C ATOM 252 CG PRO A 18 7.181 7.170 -8.328 1.00 0.00 C ATOM 253 CD PRO A 18 7.663 7.094 -6.869 1.00 0.00 C ATOM 0 HA PRO A 18 10.462 7.980 -8.468 1.00 0.00 H new ATOM 0 HB2 PRO A 18 8.136 8.248 -9.974 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.842 6.675 -9.662 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.389 7.911 -8.436 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.769 6.214 -8.650 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.015 7.667 -6.205 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.665 6.067 -6.503 1.00 0.00 H new ATOM 261 N ASP A 19 9.905 10.343 -9.241 1.00 0.00 N ATOM 262 CA ASP A 19 9.812 11.827 -9.391 1.00 0.00 C ATOM 263 C ASP A 19 9.794 12.515 -8.025 1.00 0.00 C ATOM 264 O ASP A 19 10.242 11.972 -7.035 1.00 0.00 O ATOM 265 CB ASP A 19 8.526 12.170 -10.144 1.00 0.00 C ATOM 266 CG ASP A 19 8.797 13.309 -11.128 1.00 0.00 C ATOM 267 OD1 ASP A 19 9.883 13.863 -11.074 1.00 0.00 O ATOM 268 OD2 ASP A 19 7.916 13.607 -11.918 1.00 0.00 O ATOM 0 H ASP A 19 10.479 9.878 -9.945 1.00 0.00 H new ATOM 0 HA ASP A 19 10.683 12.179 -9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.161 11.293 -10.679 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.747 12.462 -9.440 1.00 0.00 H new ATOM 273 N GLY A 20 9.275 13.714 -7.976 1.00 0.00 N ATOM 274 CA GLY A 20 9.211 14.463 -6.688 1.00 0.00 C ATOM 275 C GLY A 20 7.957 14.042 -5.921 1.00 0.00 C ATOM 276 O GLY A 20 7.108 14.850 -5.605 1.00 0.00 O ATOM 0 H GLY A 20 8.890 14.209 -8.780 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.101 14.261 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.192 15.536 -6.879 1.00 0.00 H new ATOM 280 N LYS A 21 7.839 12.781 -5.617 1.00 0.00 N ATOM 281 CA LYS A 21 6.651 12.297 -4.873 1.00 0.00 C ATOM 282 C LYS A 21 6.832 12.615 -3.392 1.00 0.00 C ATOM 283 O LYS A 21 7.641 13.442 -3.032 1.00 0.00 O ATOM 284 CB LYS A 21 6.537 10.791 -5.048 1.00 0.00 C ATOM 285 CG LYS A 21 5.341 10.454 -5.943 1.00 0.00 C ATOM 286 CD LYS A 21 4.088 11.183 -5.452 1.00 0.00 C ATOM 287 CE LYS A 21 3.513 12.025 -6.593 1.00 0.00 C ATOM 288 NZ LYS A 21 2.838 13.231 -6.033 1.00 0.00 N ATOM 0 H LYS A 21 8.521 12.061 -5.855 1.00 0.00 H new ATOM 0 HA LYS A 21 5.751 12.783 -5.250 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.453 10.398 -5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.420 10.312 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.556 10.740 -6.972 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.168 9.378 -5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.346 10.463 -5.107 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.333 11.820 -4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.309 12.325 -7.274 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.803 11.435 -7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.278 13.692 -6.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.211 12.947 -5.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.554 13.896 -5.677 1.00 0.00 H new ATOM 302 N ASN A 22 6.099 11.969 -2.523 1.00 0.00 N ATOM 303 CA ASN A 22 6.279 12.276 -1.071 1.00 0.00 C ATOM 304 C ASN A 22 5.513 11.307 -0.149 1.00 0.00 C ATOM 305 O ASN A 22 5.629 11.404 1.056 1.00 0.00 O ATOM 306 CB ASN A 22 5.791 13.700 -0.800 1.00 0.00 C ATOM 307 CG ASN A 22 6.973 14.671 -0.881 1.00 0.00 C ATOM 308 OD1 ASN A 22 7.819 14.690 -0.009 1.00 0.00 O ATOM 309 ND2 ASN A 22 7.069 15.483 -1.900 1.00 0.00 N ATOM 0 H ASN A 22 5.401 11.260 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 22 7.340 12.166 -0.849 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.028 13.978 -1.527 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.328 13.756 0.185 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.853 16.132 -1.963 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.360 15.468 -2.633 1.00 0.00 H new ATOM 316 N ILE A 23 4.720 10.391 -0.652 1.00 0.00 N ATOM 317 CA ILE A 23 3.988 9.502 0.300 1.00 0.00 C ATOM 318 C ILE A 23 3.604 8.171 -0.351 1.00 0.00 C ATOM 319 O ILE A 23 3.660 7.999 -1.545 1.00 0.00 O ATOM 320 CB ILE A 23 2.710 10.236 0.750 1.00 0.00 C ATOM 321 CG1 ILE A 23 2.982 10.958 2.074 1.00 0.00 C ATOM 322 CG2 ILE A 23 1.535 9.251 0.921 1.00 0.00 C ATOM 323 CD1 ILE A 23 1.679 11.095 2.860 1.00 0.00 C ATOM 0 H ILE A 23 4.552 10.224 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 23 4.637 9.280 1.147 1.00 0.00 H new ATOM 0 HB ILE A 23 2.434 10.959 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.715 10.402 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.408 11.943 1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.646 9.796 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.335 8.754 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.792 8.505 1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.874 11.609 3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.960 11.669 2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.272 10.105 3.065 1.00 0.00 H new ATOM 335 N CYS A 24 3.144 7.249 0.452 1.00 0.00 N ATOM 336 CA CYS A 24 2.674 5.951 -0.083 1.00 0.00 C ATOM 337 C CYS A 24 1.164 5.898 0.064 1.00 0.00 C ATOM 338 O CYS A 24 0.581 6.621 0.849 1.00 0.00 O ATOM 339 CB CYS A 24 3.274 4.801 0.707 1.00 0.00 C ATOM 340 SG CYS A 24 4.195 3.760 -0.442 1.00 0.00 S ATOM 0 H CYS A 24 3.076 7.347 1.465 1.00 0.00 H new ATOM 0 HA CYS A 24 2.975 5.861 -1.127 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.931 5.178 1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.490 4.225 1.198 1.00 0.00 H new ATOM 345 N VAL A 25 0.522 5.047 -0.669 1.00 0.00 N ATOM 346 CA VAL A 25 -0.948 4.948 -0.555 1.00 0.00 C ATOM 347 C VAL A 25 -1.368 3.525 -0.881 1.00 0.00 C ATOM 348 O VAL A 25 -1.068 3.007 -1.939 1.00 0.00 O ATOM 349 CB VAL A 25 -1.604 5.926 -1.524 1.00 0.00 C ATOM 350 CG1 VAL A 25 -0.898 7.281 -1.428 1.00 0.00 C ATOM 351 CG2 VAL A 25 -1.495 5.393 -2.956 1.00 0.00 C ATOM 0 H VAL A 25 0.952 4.414 -1.344 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.263 5.198 0.458 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.657 6.040 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.364 7.984 -2.119 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.981 7.663 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.154 7.162 -1.686 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.966 6.096 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.444 5.275 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.997 4.428 -3.024 1.00 0.00 H new ATOM 361 N LYS A 26 -2.048 2.882 0.021 1.00 0.00 N ATOM 362 CA LYS A 26 -2.471 1.489 -0.236 1.00 0.00 C ATOM 363 C LYS A 26 -3.934 1.311 0.159 1.00 0.00 C ATOM 364 O LYS A 26 -4.471 2.048 0.963 1.00 0.00 O ATOM 365 CB LYS A 26 -1.602 0.534 0.589 1.00 0.00 C ATOM 366 CG LYS A 26 -0.129 0.885 0.393 1.00 0.00 C ATOM 367 CD LYS A 26 0.690 0.273 1.531 1.00 0.00 C ATOM 368 CE LYS A 26 2.178 0.367 1.197 1.00 0.00 C ATOM 369 NZ LYS A 26 2.732 1.627 1.765 1.00 0.00 N ATOM 0 H LYS A 26 -2.328 3.264 0.925 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.356 1.268 -1.297 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.866 0.605 1.644 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.785 -0.496 0.283 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.222 0.508 -0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.000 1.967 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.482 0.796 2.465 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.405 -0.769 1.679 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.709 -0.493 1.605 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.322 0.348 0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.764 1.540 1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.509 2.421 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.311 1.801 2.700 1.00 0.00 H new ATOM 383 N ARG A 27 -4.572 0.326 -0.396 1.00 0.00 N ATOM 384 CA ARG A 27 -5.996 0.065 -0.060 1.00 0.00 C ATOM 385 C ARG A 27 -6.092 -1.369 0.462 1.00 0.00 C ATOM 386 O ARG A 27 -5.153 -2.130 0.345 1.00 0.00 O ATOM 387 CB ARG A 27 -6.853 0.243 -1.313 1.00 0.00 C ATOM 388 CG ARG A 27 -6.913 1.729 -1.676 1.00 0.00 C ATOM 389 CD ARG A 27 -5.660 2.112 -2.464 1.00 0.00 C ATOM 390 NE ARG A 27 -6.041 2.986 -3.610 1.00 0.00 N ATOM 391 CZ ARG A 27 -5.255 3.080 -4.648 1.00 0.00 C ATOM 392 NH1 ARG A 27 -4.032 2.628 -4.583 1.00 0.00 N ATOM 393 NH2 ARG A 27 -5.690 3.627 -5.750 1.00 0.00 N ATOM 0 H ARG A 27 -4.165 -0.317 -1.075 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.356 0.760 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.432 -0.329 -2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.858 -0.142 -1.138 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.805 1.934 -2.268 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.985 2.333 -0.771 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.954 2.631 -1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.158 1.215 -2.828 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.915 3.510 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.691 2.202 -3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.417 2.701 -5.394 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.645 3.982 -5.801 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.075 3.700 -6.560 1.00 0.00 H new ATOM 407 N SER A 28 -7.188 -1.755 1.055 1.00 0.00 N ATOM 408 CA SER A 28 -7.262 -3.145 1.581 1.00 0.00 C ATOM 409 C SER A 28 -8.714 -3.554 1.799 1.00 0.00 C ATOM 410 O SER A 28 -9.444 -2.877 2.507 1.00 0.00 O ATOM 411 CB SER A 28 -6.505 -3.214 2.909 1.00 0.00 C ATOM 412 OG SER A 28 -7.377 -3.660 3.943 1.00 0.00 O ATOM 0 H SER A 28 -8.019 -1.181 1.196 1.00 0.00 H new ATOM 0 HA SER A 28 -6.813 -3.827 0.859 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.657 -3.893 2.819 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.103 -2.232 3.159 1.00 0.00 H new ATOM 0 HG SER A 28 -6.937 -3.552 4.812 1.00 0.00 H new ATOM 418 N TRP A 29 -9.112 -4.665 1.190 1.00 0.00 N ATOM 419 CA TRP A 29 -10.509 -5.193 1.334 1.00 0.00 C ATOM 420 C TRP A 29 -10.482 -6.708 1.400 1.00 0.00 C ATOM 421 O TRP A 29 -9.580 -7.357 0.909 1.00 0.00 O ATOM 422 CB TRP A 29 -11.398 -4.792 0.139 1.00 0.00 C ATOM 423 CG TRP A 29 -10.693 -5.103 -1.131 1.00 0.00 C ATOM 424 CD1 TRP A 29 -10.996 -6.084 -2.011 1.00 0.00 C ATOM 425 CD2 TRP A 29 -9.562 -4.407 -1.665 1.00 0.00 C ATOM 426 NE1 TRP A 29 -10.095 -6.020 -3.065 1.00 0.00 N ATOM 427 CE2 TRP A 29 -9.183 -4.995 -2.888 1.00 0.00 C ATOM 428 CE3 TRP A 29 -8.841 -3.325 -1.188 1.00 0.00 C ATOM 429 CZ2 TRP A 29 -8.099 -4.506 -3.620 1.00 0.00 C ATOM 430 CZ3 TRP A 29 -7.757 -2.824 -1.901 1.00 0.00 C ATOM 431 CH2 TRP A 29 -7.377 -3.410 -3.120 1.00 0.00 C ATOM 0 H TRP A 29 -8.510 -5.230 0.591 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.921 -4.765 2.248 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.346 -5.328 0.182 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -11.631 -3.728 0.187 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -11.802 -6.796 -1.911 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.104 -6.649 -3.868 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.124 -2.865 -0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.820 -4.964 -4.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.204 -1.980 -1.515 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.534 -3.019 -3.670 1.00 0.00 H new ATOM 442 N THR A 30 -11.492 -7.271 1.987 1.00 0.00 N ATOM 443 CA THR A 30 -11.570 -8.741 2.074 1.00 0.00 C ATOM 444 C THR A 30 -12.260 -9.237 0.812 1.00 0.00 C ATOM 445 O THR A 30 -13.247 -8.676 0.377 1.00 0.00 O ATOM 446 CB THR A 30 -12.372 -9.154 3.308 1.00 0.00 C ATOM 447 OG1 THR A 30 -13.060 -8.025 3.828 1.00 0.00 O ATOM 448 CG2 THR A 30 -11.416 -9.705 4.363 1.00 0.00 C ATOM 0 H THR A 30 -12.271 -6.769 2.413 1.00 0.00 H new ATOM 0 HA THR A 30 -10.573 -9.173 2.161 1.00 0.00 H new ATOM 0 HB THR A 30 -13.098 -9.920 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.575 -8.291 4.618 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.981 -10.002 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.890 -10.571 3.961 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.693 -8.936 4.636 1.00 0.00 H new ATOM 456 N ALA A 31 -11.743 -10.252 0.196 1.00 0.00 N ATOM 457 CA ALA A 31 -12.377 -10.731 -1.058 1.00 0.00 C ATOM 458 C ALA A 31 -11.812 -12.100 -1.439 1.00 0.00 C ATOM 459 O ALA A 31 -11.314 -12.827 -0.603 1.00 0.00 O ATOM 460 CB ALA A 31 -12.077 -9.712 -2.159 1.00 0.00 C ATOM 0 H ALA A 31 -10.918 -10.769 0.500 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.454 -10.832 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.533 -10.041 -3.093 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.486 -8.742 -1.878 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.998 -9.627 -2.292 1.00 0.00 H new ATOM 466 N VAL A 32 -11.892 -12.463 -2.690 1.00 0.00 N ATOM 467 CA VAL A 32 -11.364 -13.790 -3.113 1.00 0.00 C ATOM 468 C VAL A 32 -9.880 -13.667 -3.461 1.00 0.00 C ATOM 469 O VAL A 32 -9.433 -12.669 -3.991 1.00 0.00 O ATOM 470 CB VAL A 32 -12.135 -14.287 -4.335 1.00 0.00 C ATOM 471 CG1 VAL A 32 -12.011 -13.269 -5.468 1.00 0.00 C ATOM 472 CG2 VAL A 32 -11.552 -15.629 -4.786 1.00 0.00 C ATOM 0 H VAL A 32 -12.299 -11.899 -3.436 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.486 -14.501 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.187 -14.412 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.561 -13.625 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -12.422 -12.313 -5.145 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.961 -13.142 -5.730 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.098 -15.989 -5.658 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.501 -15.501 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.641 -16.355 -3.977 1.00 0.00 H new ATOM 482 N ARG A 33 -9.115 -14.680 -3.161 1.00 0.00 N ATOM 483 CA ARG A 33 -7.657 -14.638 -3.463 1.00 0.00 C ATOM 484 C ARG A 33 -7.289 -15.850 -4.321 1.00 0.00 C ATOM 485 O ARG A 33 -8.142 -16.608 -4.737 1.00 0.00 O ATOM 486 CB ARG A 33 -6.845 -14.687 -2.161 1.00 0.00 C ATOM 487 CG ARG A 33 -7.439 -13.729 -1.120 1.00 0.00 C ATOM 488 CD ARG A 33 -8.781 -14.252 -0.582 1.00 0.00 C ATOM 489 NE ARG A 33 -8.835 -15.743 -0.643 1.00 0.00 N ATOM 490 CZ ARG A 33 -9.403 -16.409 0.324 1.00 0.00 C ATOM 491 NH1 ARG A 33 -10.292 -15.826 1.080 1.00 0.00 N ATOM 492 NH2 ARG A 33 -9.084 -17.658 0.534 1.00 0.00 N ATOM 0 H ARG A 33 -9.439 -15.539 -2.717 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.430 -13.714 -3.994 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.840 -15.703 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.808 -14.417 -2.362 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.738 -13.605 -0.295 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.582 -12.746 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.919 -13.921 0.447 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.600 -13.830 -1.165 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.430 -16.238 -1.437 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.542 -14.851 0.914 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.737 -16.345 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -8.390 -18.114 -0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -9.529 -18.178 1.291 1.00 0.00 H new ATOM 506 N GLY A 34 -6.025 -16.044 -4.579 1.00 0.00 N ATOM 507 CA GLY A 34 -5.608 -17.215 -5.399 1.00 0.00 C ATOM 508 C GLY A 34 -5.846 -18.495 -4.596 1.00 0.00 C ATOM 509 O GLY A 34 -6.511 -19.407 -5.044 1.00 0.00 O ATOM 0 H GLY A 34 -5.265 -15.444 -4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.174 -17.244 -6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.555 -17.130 -5.669 1.00 0.00 H new ATOM 513 N ASP A 35 -5.311 -18.564 -3.408 1.00 0.00 N ATOM 514 CA ASP A 35 -5.508 -19.780 -2.570 1.00 0.00 C ATOM 515 C ASP A 35 -5.233 -19.435 -1.105 1.00 0.00 C ATOM 516 O ASP A 35 -4.504 -20.127 -0.421 1.00 0.00 O ATOM 517 CB ASP A 35 -4.545 -20.878 -3.027 1.00 0.00 C ATOM 518 CG ASP A 35 -3.116 -20.333 -3.043 1.00 0.00 C ATOM 519 OD1 ASP A 35 -2.953 -19.158 -3.322 1.00 0.00 O ATOM 520 OD2 ASP A 35 -2.208 -21.103 -2.775 1.00 0.00 O ATOM 0 H ASP A 35 -4.746 -17.830 -2.981 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.534 -20.133 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.611 -21.735 -2.357 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.822 -21.228 -4.021 1.00 0.00 H new ATOM 525 N GLY A 36 -5.811 -18.372 -0.615 1.00 0.00 N ATOM 526 CA GLY A 36 -5.583 -17.987 0.805 1.00 0.00 C ATOM 527 C GLY A 36 -6.405 -16.736 1.135 1.00 0.00 C ATOM 528 O GLY A 36 -6.596 -15.883 0.293 1.00 0.00 O ATOM 0 H GLY A 36 -6.431 -17.754 -1.138 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.868 -18.806 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.524 -17.794 0.975 1.00 0.00 H new ATOM 532 N PRO A 37 -6.868 -16.669 2.359 1.00 0.00 N ATOM 533 CA PRO A 37 -7.678 -15.535 2.838 1.00 0.00 C ATOM 534 C PRO A 37 -6.781 -14.337 3.160 1.00 0.00 C ATOM 535 O PRO A 37 -5.826 -14.447 3.903 1.00 0.00 O ATOM 536 CB PRO A 37 -8.338 -16.080 4.108 1.00 0.00 C ATOM 537 CG PRO A 37 -7.453 -17.255 4.591 1.00 0.00 C ATOM 538 CD PRO A 37 -6.627 -17.714 3.374 1.00 0.00 C ATOM 0 HA PRO A 37 -8.402 -15.183 2.104 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.407 -15.306 4.872 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.354 -16.418 3.903 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.801 -16.939 5.405 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.067 -18.071 4.973 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.568 -17.795 3.619 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.948 -18.694 3.021 1.00 0.00 H new ATOM 546 N LYS A 38 -7.077 -13.193 2.603 1.00 0.00 N ATOM 547 CA LYS A 38 -6.236 -11.995 2.879 1.00 0.00 C ATOM 548 C LYS A 38 -6.891 -10.751 2.275 1.00 0.00 C ATOM 549 O LYS A 38 -7.659 -10.831 1.338 1.00 0.00 O ATOM 550 CB LYS A 38 -4.852 -12.192 2.257 1.00 0.00 C ATOM 551 CG LYS A 38 -3.810 -11.423 3.073 1.00 0.00 C ATOM 552 CD LYS A 38 -2.407 -11.882 2.675 1.00 0.00 C ATOM 553 CE LYS A 38 -1.616 -10.693 2.126 1.00 0.00 C ATOM 554 NZ LYS A 38 -2.437 -9.979 1.106 1.00 0.00 N ATOM 0 H LYS A 38 -7.862 -13.038 1.971 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.140 -11.864 3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.600 -13.252 2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.852 -11.841 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.916 -10.352 2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.970 -11.592 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.894 -12.306 3.538 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.470 -12.668 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.351 -10.013 2.936 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.683 -11.038 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.817 -9.615 0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.130 -10.637 0.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.937 -9.186 1.556 1.00 0.00 H new ATOM 568 N ARG A 39 -6.582 -9.600 2.805 1.00 0.00 N ATOM 569 CA ARG A 39 -7.168 -8.342 2.272 1.00 0.00 C ATOM 570 C ARG A 39 -6.416 -7.932 1.011 1.00 0.00 C ATOM 571 O ARG A 39 -5.328 -7.392 1.076 1.00 0.00 O ATOM 572 CB ARG A 39 -7.030 -7.239 3.322 1.00 0.00 C ATOM 573 CG ARG A 39 -8.406 -6.648 3.633 1.00 0.00 C ATOM 574 CD ARG A 39 -8.436 -6.175 5.086 1.00 0.00 C ATOM 575 NE ARG A 39 -9.703 -6.622 5.728 1.00 0.00 N ATOM 576 CZ ARG A 39 -10.012 -6.198 6.922 1.00 0.00 C ATOM 577 NH1 ARG A 39 -9.126 -6.241 7.879 1.00 0.00 N ATOM 578 NH2 ARG A 39 -11.206 -5.728 7.160 1.00 0.00 N ATOM 0 H ARG A 39 -5.943 -9.478 3.591 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.221 -8.497 2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.583 -7.642 4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.362 -6.458 2.958 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.616 -5.815 2.963 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.182 -7.395 3.466 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.580 -6.577 5.628 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.358 -5.089 5.128 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.328 -7.259 5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.192 -6.606 7.693 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.368 -5.909 8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.898 -5.692 6.412 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.447 -5.397 8.094 1.00 0.00 H new ATOM 592 N GLU A 40 -6.982 -8.173 -0.139 1.00 0.00 N ATOM 593 CA GLU A 40 -6.274 -7.776 -1.391 1.00 0.00 C ATOM 594 C GLU A 40 -6.024 -6.275 -1.319 1.00 0.00 C ATOM 595 O GLU A 40 -6.941 -5.476 -1.363 1.00 0.00 O ATOM 596 CB GLU A 40 -7.110 -8.102 -2.642 1.00 0.00 C ATOM 597 CG GLU A 40 -8.584 -8.303 -2.282 1.00 0.00 C ATOM 598 CD GLU A 40 -8.829 -9.771 -1.925 1.00 0.00 C ATOM 599 OE1 GLU A 40 -8.147 -10.617 -2.481 1.00 0.00 O ATOM 600 OE2 GLU A 40 -9.695 -10.025 -1.105 1.00 0.00 O ATOM 0 H GLU A 40 -7.890 -8.620 -0.267 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.340 -8.332 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.016 -7.293 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.722 -9.003 -3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.854 -7.664 -1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.217 -8.011 -3.120 1.00 0.00 H new ATOM 607 N ILE A 41 -4.791 -5.884 -1.166 1.00 0.00 N ATOM 608 CA ILE A 41 -4.483 -4.437 -1.044 1.00 0.00 C ATOM 609 C ILE A 41 -4.032 -3.857 -2.384 1.00 0.00 C ATOM 610 O ILE A 41 -4.078 -4.501 -3.414 1.00 0.00 O ATOM 611 CB ILE A 41 -3.370 -4.246 -0.014 1.00 0.00 C ATOM 612 CG1 ILE A 41 -2.138 -5.053 -0.438 1.00 0.00 C ATOM 613 CG2 ILE A 41 -3.850 -4.738 1.352 1.00 0.00 C ATOM 614 CD1 ILE A 41 -0.892 -4.479 0.241 1.00 0.00 C ATOM 0 H ILE A 41 -3.984 -6.506 -1.120 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.387 -3.916 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.111 -3.189 0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.264 -6.100 -0.164 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.023 -5.019 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.057 -4.602 2.087 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.728 -4.168 1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.108 -5.795 1.288 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.016 -5.053 -0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.763 -3.438 -0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.008 -4.537 1.323 1.00 0.00 H new ATOM 626 N ARG A 42 -3.591 -2.634 -2.353 1.00 0.00 N ATOM 627 CA ARG A 42 -3.117 -1.945 -3.582 1.00 0.00 C ATOM 628 C ARG A 42 -2.091 -0.902 -3.139 1.00 0.00 C ATOM 629 O ARG A 42 -1.978 -0.621 -1.965 1.00 0.00 O ATOM 630 CB ARG A 42 -4.308 -1.273 -4.270 1.00 0.00 C ATOM 631 CG ARG A 42 -3.828 -0.358 -5.393 1.00 0.00 C ATOM 632 CD ARG A 42 -3.116 -1.186 -6.464 1.00 0.00 C ATOM 633 NE ARG A 42 -4.052 -1.443 -7.594 1.00 0.00 N ATOM 634 CZ ARG A 42 -3.706 -2.254 -8.557 1.00 0.00 C ATOM 635 NH1 ARG A 42 -3.964 -3.529 -8.462 1.00 0.00 N ATOM 636 NH2 ARG A 42 -3.102 -1.787 -9.616 1.00 0.00 N ATOM 0 H ARG A 42 -3.538 -2.069 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 42 -2.666 -2.642 -4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -4.979 -2.032 -4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.879 -0.697 -3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.675 0.171 -5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.152 0.398 -4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.233 -0.656 -6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.772 -2.130 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.963 -0.985 -7.615 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.437 -3.893 -7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.693 -4.162 -9.215 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.901 -0.790 -9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.831 -2.419 -10.369 1.00 0.00 H new ATOM 650 N ARG A 43 -1.329 -0.338 -4.036 1.00 0.00 N ATOM 651 CA ARG A 43 -0.308 0.660 -3.589 1.00 0.00 C ATOM 652 C ARG A 43 -0.082 1.754 -4.640 1.00 0.00 C ATOM 653 O ARG A 43 -0.564 1.683 -5.754 1.00 0.00 O ATOM 654 CB ARG A 43 1.018 -0.060 -3.338 1.00 0.00 C ATOM 655 CG ARG A 43 0.762 -1.358 -2.573 1.00 0.00 C ATOM 656 CD ARG A 43 0.399 -2.472 -3.557 1.00 0.00 C ATOM 657 NE ARG A 43 1.384 -3.584 -3.431 1.00 0.00 N ATOM 658 CZ ARG A 43 1.853 -4.165 -4.500 1.00 0.00 C ATOM 659 NH1 ARG A 43 2.555 -3.479 -5.360 1.00 0.00 N ATOM 660 NH2 ARG A 43 1.624 -5.433 -4.708 1.00 0.00 N ATOM 0 H ARG A 43 -1.364 -0.518 -5.039 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.677 1.132 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.511 -0.276 -4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.690 0.583 -2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 43 1.649 -1.637 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.046 -1.216 -1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.607 -2.838 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.398 -2.086 -4.576 1.00 0.00 H new ATOM 0 HE ARG A 43 1.691 -3.891 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.737 -2.489 -5.196 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.922 -3.933 -6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.078 -5.970 -4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.991 -5.887 -5.544 1.00 0.00 H new ATOM 674 N GLU A 44 0.666 2.766 -4.272 1.00 0.00 N ATOM 675 CA GLU A 44 0.965 3.888 -5.213 1.00 0.00 C ATOM 676 C GLU A 44 1.647 5.026 -4.438 1.00 0.00 C ATOM 677 O GLU A 44 1.612 5.065 -3.224 1.00 0.00 O ATOM 678 CB GLU A 44 -0.336 4.398 -5.833 1.00 0.00 C ATOM 679 CG GLU A 44 -0.338 4.094 -7.333 1.00 0.00 C ATOM 680 CD GLU A 44 -1.538 3.206 -7.671 1.00 0.00 C ATOM 681 OE1 GLU A 44 -2.650 3.705 -7.625 1.00 0.00 O ATOM 682 OE2 GLU A 44 -1.324 2.042 -7.968 1.00 0.00 O ATOM 0 H GLU A 44 1.087 2.862 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 44 1.626 3.536 -6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.191 3.922 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.434 5.471 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.386 5.022 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.589 3.594 -7.615 1.00 0.00 H new ATOM 689 N CYS A 45 2.268 5.955 -5.121 1.00 0.00 N ATOM 690 CA CYS A 45 2.938 7.078 -4.396 1.00 0.00 C ATOM 691 C CYS A 45 2.182 8.387 -4.662 1.00 0.00 C ATOM 692 O CYS A 45 1.752 8.654 -5.767 1.00 0.00 O ATOM 693 CB CYS A 45 4.391 7.228 -4.865 1.00 0.00 C ATOM 694 SG CYS A 45 5.285 8.227 -3.662 1.00 0.00 S ATOM 0 H CYS A 45 2.340 5.985 -6.138 1.00 0.00 H new ATOM 0 HA CYS A 45 2.931 6.857 -3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.859 6.249 -4.965 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.424 7.699 -5.847 1.00 0.00 H new ATOM 699 N ALA A 46 2.005 9.200 -3.649 1.00 0.00 N ATOM 700 CA ALA A 46 1.268 10.485 -3.831 1.00 0.00 C ATOM 701 C ALA A 46 1.585 11.438 -2.681 1.00 0.00 C ATOM 702 O ALA A 46 2.587 11.315 -2.011 1.00 0.00 O ATOM 703 CB ALA A 46 -0.227 10.201 -3.799 1.00 0.00 C ATOM 0 H ALA A 46 2.341 9.026 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 46 1.565 10.933 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.777 11.133 -3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.484 9.511 -4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.492 9.756 -2.840 1.00 0.00 H new ATOM 709 N ALA A 47 0.695 12.361 -2.430 1.00 0.00 N ATOM 710 CA ALA A 47 0.879 13.306 -1.294 1.00 0.00 C ATOM 711 C ALA A 47 0.174 12.681 -0.092 1.00 0.00 C ATOM 712 O ALA A 47 0.592 12.810 1.041 1.00 0.00 O ATOM 713 CB ALA A 47 0.238 14.656 -1.627 1.00 0.00 C ATOM 0 H ALA A 47 -0.159 12.500 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 47 1.936 13.477 -1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.377 15.341 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.707 15.072 -2.519 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.828 14.518 -1.809 1.00 0.00 H new ATOM 719 N THR A 48 -0.881 11.963 -0.369 1.00 0.00 N ATOM 720 CA THR A 48 -1.642 11.249 0.693 1.00 0.00 C ATOM 721 C THR A 48 -2.168 9.974 0.088 1.00 0.00 C ATOM 722 O THR A 48 -1.860 9.622 -1.032 1.00 0.00 O ATOM 723 CB THR A 48 -2.874 12.037 1.150 1.00 0.00 C ATOM 724 OG1 THR A 48 -3.157 13.059 0.206 1.00 0.00 O ATOM 725 CG2 THR A 48 -2.610 12.657 2.523 1.00 0.00 C ATOM 0 H THR A 48 -1.255 11.840 -1.310 1.00 0.00 H new ATOM 0 HA THR A 48 -0.975 11.096 1.541 1.00 0.00 H new ATOM 0 HB THR A 48 -3.729 11.365 1.222 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.946 13.563 0.496 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.488 13.217 2.845 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.399 11.867 3.244 1.00 0.00 H new ATOM 0 HG23 THR A 48 -1.754 13.329 2.460 1.00 0.00 H new ATOM 733 N CYS A 49 -3.008 9.315 0.801 1.00 0.00 N ATOM 734 CA CYS A 49 -3.622 8.098 0.269 1.00 0.00 C ATOM 735 C CYS A 49 -4.984 8.530 -0.297 1.00 0.00 C ATOM 736 O CYS A 49 -5.545 9.511 0.151 1.00 0.00 O ATOM 737 CB CYS A 49 -3.746 7.088 1.412 1.00 0.00 C ATOM 738 SG CYS A 49 -4.644 7.844 2.787 1.00 0.00 S ATOM 0 H CYS A 49 -3.299 9.572 1.744 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.041 7.618 -0.518 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.269 6.196 1.068 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -2.756 6.770 1.740 1.00 0.00 H new ATOM 743 N PRO A 50 -5.459 7.828 -1.285 1.00 0.00 N ATOM 744 CA PRO A 50 -6.734 8.165 -1.958 1.00 0.00 C ATOM 745 C PRO A 50 -7.925 7.983 -1.018 1.00 0.00 C ATOM 746 O PRO A 50 -7.760 7.599 0.117 1.00 0.00 O ATOM 747 CB PRO A 50 -6.775 7.186 -3.142 1.00 0.00 C ATOM 748 CG PRO A 50 -5.819 6.030 -2.786 1.00 0.00 C ATOM 749 CD PRO A 50 -4.797 6.617 -1.802 1.00 0.00 C ATOM 0 HA PRO A 50 -6.792 9.206 -2.275 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.787 6.816 -3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -6.463 7.678 -4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.362 5.199 -2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.325 5.643 -3.677 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -4.565 5.915 -1.001 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.856 6.857 -2.298 1.00 0.00 H new ATOM 757 N PRO A 51 -9.099 8.259 -1.514 1.00 0.00 N ATOM 758 CA PRO A 51 -10.324 8.109 -0.718 1.00 0.00 C ATOM 759 C PRO A 51 -10.594 6.621 -0.560 1.00 0.00 C ATOM 760 O PRO A 51 -10.900 6.136 0.511 1.00 0.00 O ATOM 761 CB PRO A 51 -11.399 8.790 -1.565 1.00 0.00 C ATOM 762 CG PRO A 51 -10.859 8.788 -3.011 1.00 0.00 C ATOM 763 CD PRO A 51 -9.325 8.734 -2.896 1.00 0.00 C ATOM 0 HA PRO A 51 -10.277 8.543 0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.346 8.254 -1.500 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.584 9.807 -1.218 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.238 7.931 -3.567 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.178 9.682 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -8.891 8.055 -3.630 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.875 9.713 -3.063 1.00 0.00 H new ATOM 771 N SER A 52 -10.442 5.893 -1.631 1.00 0.00 N ATOM 772 CA SER A 52 -10.648 4.428 -1.573 1.00 0.00 C ATOM 773 C SER A 52 -10.229 3.795 -2.898 1.00 0.00 C ATOM 774 O SER A 52 -10.327 4.399 -3.948 1.00 0.00 O ATOM 775 CB SER A 52 -12.119 4.112 -1.321 1.00 0.00 C ATOM 776 OG SER A 52 -12.699 5.131 -0.519 1.00 0.00 O ATOM 0 H SER A 52 -10.182 6.257 -2.548 1.00 0.00 H new ATOM 0 HA SER A 52 -10.044 4.025 -0.760 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.652 4.035 -2.269 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.213 3.147 -0.823 1.00 0.00 H new ATOM 0 HG SER A 52 -12.195 5.216 0.317 1.00 0.00 H new ATOM 782 N LYS A 53 -9.791 2.568 -2.860 1.00 0.00 N ATOM 783 CA LYS A 53 -9.401 1.885 -4.126 1.00 0.00 C ATOM 784 C LYS A 53 -10.663 1.765 -4.962 1.00 0.00 C ATOM 785 O LYS A 53 -10.696 2.059 -6.140 1.00 0.00 O ATOM 786 CB LYS A 53 -8.870 0.486 -3.815 1.00 0.00 C ATOM 787 CG LYS A 53 -7.541 0.266 -4.539 1.00 0.00 C ATOM 788 CD LYS A 53 -7.778 0.265 -6.051 1.00 0.00 C ATOM 789 CE LYS A 53 -7.531 -1.140 -6.608 1.00 0.00 C ATOM 790 NZ LYS A 53 -7.680 -1.121 -8.090 1.00 0.00 N ATOM 0 H LYS A 53 -9.686 2.010 -2.012 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.625 2.443 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.733 0.369 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.594 -0.266 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.834 1.052 -4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.098 -0.680 -4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.798 0.580 -6.270 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.113 0.981 -6.534 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.531 -1.480 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.237 -1.846 -6.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.512 -2.075 -8.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.642 -0.814 -8.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.990 -0.460 -8.500 1.00 0.00 H new ATOM 804 N LEU A 54 -11.711 1.361 -4.317 1.00 0.00 N ATOM 805 CA LEU A 54 -13.029 1.228 -4.981 1.00 0.00 C ATOM 806 C LEU A 54 -14.047 1.860 -4.045 1.00 0.00 C ATOM 807 O LEU A 54 -14.897 2.633 -4.442 1.00 0.00 O ATOM 808 CB LEU A 54 -13.371 -0.253 -5.198 1.00 0.00 C ATOM 809 CG LEU A 54 -12.096 -1.103 -5.132 1.00 0.00 C ATOM 810 CD1 LEU A 54 -11.761 -1.418 -3.671 1.00 0.00 C ATOM 811 CD2 LEU A 54 -12.315 -2.409 -5.900 1.00 0.00 C ATOM 0 H LEU A 54 -11.710 1.110 -3.328 1.00 0.00 H new ATOM 0 HA LEU A 54 -13.026 1.714 -5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.079 -0.586 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -13.856 -0.385 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 54 -11.269 -0.551 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -10.855 -2.022 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.604 -0.488 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.586 -1.969 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.410 -3.014 -5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.143 -2.960 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.549 -2.184 -6.941 1.00 0.00 H new ATOM 823 N GLY A 55 -13.938 1.539 -2.788 1.00 0.00 N ATOM 824 CA GLY A 55 -14.855 2.107 -1.773 1.00 0.00 C ATOM 825 C GLY A 55 -14.500 1.511 -0.411 1.00 0.00 C ATOM 826 O GLY A 55 -15.362 1.283 0.416 1.00 0.00 O ATOM 0 H GLY A 55 -13.239 0.895 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.765 3.193 -1.746 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.890 1.879 -2.028 1.00 0.00 H new ATOM 830 N LEU A 56 -13.244 1.217 -0.177 1.00 0.00 N ATOM 831 CA LEU A 56 -12.880 0.593 1.126 1.00 0.00 C ATOM 832 C LEU A 56 -11.853 1.431 1.924 1.00 0.00 C ATOM 833 O LEU A 56 -12.049 2.615 2.111 1.00 0.00 O ATOM 834 CB LEU A 56 -12.356 -0.798 0.866 1.00 0.00 C ATOM 835 CG LEU A 56 -12.881 -1.752 1.942 1.00 0.00 C ATOM 836 CD1 LEU A 56 -11.851 -2.824 2.128 1.00 0.00 C ATOM 837 CD2 LEU A 56 -13.100 -1.039 3.287 1.00 0.00 C ATOM 0 H LEU A 56 -12.470 1.380 -0.821 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.775 0.548 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.670 -1.138 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -11.266 -0.794 0.869 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.842 -2.154 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.190 -3.526 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.703 -3.354 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.910 -2.373 2.443 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.473 -1.753 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -12.156 -0.621 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.827 -0.237 3.160 1.00 0.00 H new ATOM 849 N THR A 57 -10.787 0.839 2.461 1.00 0.00 N ATOM 850 CA THR A 57 -9.851 1.670 3.291 1.00 0.00 C ATOM 851 C THR A 57 -8.591 2.096 2.519 1.00 0.00 C ATOM 852 O THR A 57 -8.065 1.366 1.698 1.00 0.00 O ATOM 853 CB THR A 57 -9.447 0.855 4.537 1.00 0.00 C ATOM 854 OG1 THR A 57 -10.385 1.098 5.575 1.00 0.00 O ATOM 855 CG2 THR A 57 -8.044 1.250 5.023 1.00 0.00 C ATOM 0 H THR A 57 -10.540 -0.146 2.360 1.00 0.00 H new ATOM 0 HA THR A 57 -10.372 2.585 3.572 1.00 0.00 H new ATOM 0 HB THR A 57 -9.437 -0.202 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.135 0.582 6.369 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.784 0.660 5.902 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.318 1.061 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 57 -8.033 2.309 5.280 1.00 0.00 H new ATOM 863 N VAL A 58 -8.079 3.266 2.849 1.00 0.00 N ATOM 864 CA VAL A 58 -6.823 3.760 2.225 1.00 0.00 C ATOM 865 C VAL A 58 -5.689 3.509 3.214 1.00 0.00 C ATOM 866 O VAL A 58 -5.895 3.000 4.298 1.00 0.00 O ATOM 867 CB VAL A 58 -6.855 5.280 1.969 1.00 0.00 C ATOM 868 CG1 VAL A 58 -6.348 5.587 0.561 1.00 0.00 C ATOM 869 CG2 VAL A 58 -8.262 5.852 2.129 1.00 0.00 C ATOM 0 H VAL A 58 -8.491 3.900 3.534 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.694 3.244 1.274 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.207 5.748 2.710 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.375 6.663 0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.324 5.229 0.457 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.983 5.088 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.242 6.925 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.933 5.371 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.616 5.668 3.143 1.00 0.00 H new ATOM 879 N PHE A 59 -4.502 3.901 2.867 1.00 0.00 N ATOM 880 CA PHE A 59 -3.358 3.734 3.797 1.00 0.00 C ATOM 881 C PHE A 59 -2.234 4.665 3.343 1.00 0.00 C ATOM 882 O PHE A 59 -1.476 4.350 2.451 1.00 0.00 O ATOM 883 CB PHE A 59 -2.879 2.282 3.801 1.00 0.00 C ATOM 884 CG PHE A 59 -1.607 2.193 4.607 1.00 0.00 C ATOM 885 CD1 PHE A 59 -0.374 2.445 3.998 1.00 0.00 C ATOM 886 CD2 PHE A 59 -1.666 1.878 5.970 1.00 0.00 C ATOM 887 CE1 PHE A 59 0.802 2.383 4.753 1.00 0.00 C ATOM 888 CE2 PHE A 59 -0.488 1.812 6.724 1.00 0.00 C ATOM 889 CZ PHE A 59 0.746 2.066 6.115 1.00 0.00 C ATOM 0 H PHE A 59 -4.272 4.333 1.972 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.664 3.985 4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.643 1.633 4.229 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.705 1.939 2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.330 2.687 2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -2.620 1.686 6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.755 2.580 4.284 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.532 1.565 7.775 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.655 2.017 6.696 1.00 0.00 H new ATOM 899 N CYS A 60 -2.126 5.817 3.937 1.00 0.00 N ATOM 900 CA CYS A 60 -1.054 6.762 3.508 1.00 0.00 C ATOM 901 C CYS A 60 0.052 6.817 4.565 1.00 0.00 C ATOM 902 O CYS A 60 -0.201 6.778 5.752 1.00 0.00 O ATOM 903 CB CYS A 60 -1.624 8.174 3.279 1.00 0.00 C ATOM 904 SG CYS A 60 -3.221 8.393 4.124 1.00 0.00 S ATOM 0 H CYS A 60 -2.725 6.146 4.694 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.639 6.400 2.568 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.914 8.917 3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.750 8.348 2.210 1.00 0.00 H new ATOM 909 N CYS A 61 1.282 6.902 4.130 1.00 0.00 N ATOM 910 CA CYS A 61 2.423 6.955 5.088 1.00 0.00 C ATOM 911 C CYS A 61 3.321 8.142 4.738 1.00 0.00 C ATOM 912 O CYS A 61 3.350 8.595 3.613 1.00 0.00 O ATOM 913 CB CYS A 61 3.229 5.661 4.973 1.00 0.00 C ATOM 914 SG CYS A 61 4.384 5.523 6.359 1.00 0.00 S ATOM 0 H CYS A 61 1.546 6.937 3.145 1.00 0.00 H new ATOM 0 HA CYS A 61 2.048 7.068 6.105 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.556 4.804 4.964 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.776 5.647 4.031 1.00 0.00 H new ATOM 919 N THR A 62 4.060 8.646 5.690 1.00 0.00 N ATOM 920 CA THR A 62 4.958 9.802 5.403 1.00 0.00 C ATOM 921 C THR A 62 6.345 9.530 5.991 1.00 0.00 C ATOM 922 O THR A 62 6.926 10.369 6.650 1.00 0.00 O ATOM 923 CB THR A 62 4.381 11.074 6.030 1.00 0.00 C ATOM 924 OG1 THR A 62 4.753 11.138 7.400 1.00 0.00 O ATOM 925 CG2 THR A 62 2.856 11.059 5.911 1.00 0.00 C ATOM 0 H THR A 62 4.081 8.308 6.652 1.00 0.00 H new ATOM 0 HA THR A 62 5.038 9.935 4.324 1.00 0.00 H new ATOM 0 HB THR A 62 4.774 11.946 5.507 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.707 11.353 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.447 11.965 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.574 11.014 4.859 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.459 10.187 6.431 1.00 0.00 H new ATOM 933 N THR A 63 6.879 8.364 5.753 1.00 0.00 N ATOM 934 CA THR A 63 8.228 8.036 6.294 1.00 0.00 C ATOM 935 C THR A 63 8.997 7.209 5.263 1.00 0.00 C ATOM 936 O THR A 63 8.430 6.390 4.568 1.00 0.00 O ATOM 937 CB THR A 63 8.079 7.222 7.584 1.00 0.00 C ATOM 938 OG1 THR A 63 6.698 7.039 7.868 1.00 0.00 O ATOM 939 CG2 THR A 63 8.748 7.962 8.741 1.00 0.00 C ATOM 0 H THR A 63 6.439 7.623 5.207 1.00 0.00 H new ATOM 0 HA THR A 63 8.769 8.958 6.506 1.00 0.00 H new ATOM 0 HB THR A 63 8.557 6.251 7.458 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.300 6.450 7.193 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.640 7.380 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.807 8.099 8.521 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.275 8.935 8.872 1.00 0.00 H new ATOM 947 N ASP A 64 10.284 7.412 5.157 1.00 0.00 N ATOM 948 CA ASP A 64 11.073 6.625 4.170 1.00 0.00 C ATOM 949 C ASP A 64 10.658 5.158 4.271 1.00 0.00 C ATOM 950 O ASP A 64 10.732 4.569 5.330 1.00 0.00 O ATOM 951 CB ASP A 64 12.567 6.760 4.476 1.00 0.00 C ATOM 952 CG ASP A 64 12.836 6.321 5.917 1.00 0.00 C ATOM 953 OD1 ASP A 64 12.518 7.081 6.817 1.00 0.00 O ATOM 954 OD2 ASP A 64 13.357 5.233 6.096 1.00 0.00 O ATOM 0 H ASP A 64 10.818 8.084 5.708 1.00 0.00 H new ATOM 0 HA ASP A 64 10.884 6.997 3.163 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.147 6.149 3.784 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.886 7.793 4.334 1.00 0.00 H new ATOM 959 N ASN A 65 10.224 4.578 3.177 1.00 0.00 N ATOM 960 CA ASN A 65 9.786 3.146 3.172 1.00 0.00 C ATOM 961 C ASN A 65 9.252 2.733 4.553 1.00 0.00 C ATOM 962 O ASN A 65 10.011 2.387 5.437 1.00 0.00 O ATOM 963 CB ASN A 65 10.970 2.243 2.804 1.00 0.00 C ATOM 964 CG ASN A 65 12.291 2.982 3.049 1.00 0.00 C ATOM 965 OD1 ASN A 65 12.743 3.736 2.211 1.00 0.00 O ATOM 966 ND2 ASN A 65 12.932 2.794 4.171 1.00 0.00 N ATOM 0 H ASN A 65 10.154 5.045 2.273 1.00 0.00 H new ATOM 0 HA ASN A 65 8.989 3.036 2.436 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.939 1.330 3.398 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.899 1.945 1.758 1.00 0.00 H new ATOM 0 HD21 ASN A 65 13.812 3.280 4.343 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.553 2.161 4.875 1.00 0.00 H new ATOM 973 N CYS A 66 7.959 2.764 4.759 1.00 0.00 N ATOM 974 CA CYS A 66 7.426 2.375 6.101 1.00 0.00 C ATOM 975 C CYS A 66 6.492 1.159 5.993 1.00 0.00 C ATOM 976 O CYS A 66 6.598 0.224 6.761 1.00 0.00 O ATOM 977 CB CYS A 66 6.697 3.581 6.740 1.00 0.00 C ATOM 978 SG CYS A 66 4.925 3.577 6.335 1.00 0.00 S ATOM 0 H CYS A 66 7.259 3.037 4.069 1.00 0.00 H new ATOM 0 HA CYS A 66 8.260 2.088 6.741 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.824 3.553 7.822 1.00 0.00 H new ATOM 0 HB3 CYS A 66 7.150 4.509 6.390 1.00 0.00 H new ATOM 983 N ASN A 67 5.572 1.161 5.066 1.00 0.00 N ATOM 984 CA ASN A 67 4.642 0.001 4.951 1.00 0.00 C ATOM 985 C ASN A 67 5.272 -1.085 4.086 1.00 0.00 C ATOM 986 O ASN A 67 5.294 -0.994 2.877 1.00 0.00 O ATOM 987 CB ASN A 67 3.318 0.454 4.327 1.00 0.00 C ATOM 988 CG ASN A 67 2.154 -0.149 5.116 1.00 0.00 C ATOM 989 OD1 ASN A 67 1.195 -0.623 4.540 1.00 0.00 O ATOM 990 ND2 ASN A 67 2.198 -0.152 6.421 1.00 0.00 N ATOM 0 H ASN A 67 5.425 1.909 4.389 1.00 0.00 H new ATOM 0 HA ASN A 67 4.450 -0.400 5.946 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.253 1.542 4.335 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.268 0.139 3.285 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.428 -0.552 6.956 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.003 0.246 6.905 1.00 0.00 H new ATOM 997 N HIS A 68 5.783 -2.116 4.698 1.00 0.00 N ATOM 998 CA HIS A 68 6.405 -3.212 3.911 1.00 0.00 C ATOM 999 C HIS A 68 6.878 -4.320 4.858 1.00 0.00 C ATOM 1000 O HIS A 68 6.791 -5.475 4.477 1.00 0.00 O ATOM 1001 CB HIS A 68 7.594 -2.659 3.122 1.00 0.00 C ATOM 1002 CG HIS A 68 8.752 -2.419 4.055 1.00 0.00 C ATOM 1003 ND1 HIS A 68 9.577 -3.444 4.491 1.00 0.00 N ATOM 1004 CD2 HIS A 68 9.229 -1.276 4.649 1.00 0.00 C ATOM 1005 CE1 HIS A 68 10.498 -2.903 5.309 1.00 0.00 C ATOM 1006 NE2 HIS A 68 10.331 -1.584 5.440 1.00 0.00 N ATOM 1007 OXT HIS A 68 7.316 -3.993 5.948 1.00 0.00 O ATOM 0 H HIS A 68 5.796 -2.246 5.710 1.00 0.00 H new ATOM 0 HA HIS A 68 5.673 -3.625 3.217 1.00 0.00 H new ATOM 0 HB2 HIS A 68 7.883 -3.362 2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.314 -1.729 2.627 1.00 0.00 H new ATOM 0 HD1 HIS A 68 9.500 -4.429 4.238 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.812 -0.288 4.521 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.278 -3.466 5.800 1.00 0.00 H new TER 1015 HIS A 68