USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 506 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: A1009 ASN : amide:sc= -0.0581 X(o=-0.058,f=0) USER MOD Set 1.2: A1010 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 991 THR OG1 : rot 110:sc= 0.285 USER MOD Set 2.2: A 994 HIS : no HD1:sc= -0.619 K(o=-0.33,f=-5.4) USER MOD Single : A 961 LYS NZ :NH3+ -165:sc= -0.0294 (180deg=-0.301) USER MOD Single : A 962 SER OG : rot 22:sc= 1.36 USER MOD Single : A 964 LYS NZ :NH3+ 165:sc= -0.0462 (180deg=-0.295) USER MOD Single : A 965 THR OG1 : rot 180:sc= 0 USER MOD Single : A 971 ASN :FLIP amide:sc= -1.5 F(o=-5.8!,f=-1.5) USER MOD Single : A 973 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 975 HIS : no HD1:sc= -0.0682 X(o=-0.068,f=0) USER MOD Single : A 978 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 981 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 984 SER OG : rot -95:sc= 1.33 USER MOD Single : A 987 THR OG1 : rot 180:sc= 0 USER MOD Single : A 988 TYR OH : rot -30:sc= -0.793 USER MOD Single : A 989 SER OG : rot 180:sc= 0 USER MOD Single : A 992 THR OG1 : rot 180:sc= 0 USER MOD Single : A 999 HIS :FLIP no HD1:sc= -0.0414 F(o=-1.6!,f=-0.041) USER MOD Single : A1000 SER OG : rot 180:sc= 0 USER MOD Single : A1001 SER OG : rot -160:sc= 0 USER MOD Single : A1007 SER OG : rot 180:sc= 0 USER MOD Single : A1012 HIS : no HE2:sc= -1.71 X(o=-1.7,f=-1.4) USER MOD Single : A1014 SER OG : rot 63:sc= 0.856 USER MOD Single : A1015 THR OG1 : rot 180:sc= 0 USER MOD Single : A1016 LYS NZ :NH3+ -165:sc= -0.0585 (180deg=-0.328) USER MOD Single : A1021 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 957 22.079 -2.805 -9.059 1.00 0.00 N ATOM 2 CA GLU A 957 22.185 -3.697 -7.876 1.00 0.00 C ATOM 3 C GLU A 957 22.435 -2.890 -6.606 1.00 0.00 C ATOM 4 O GLU A 957 22.662 -3.454 -5.535 1.00 0.00 O ATOM 5 CB GLU A 957 23.310 -4.718 -8.075 1.00 0.00 C ATOM 6 CG GLU A 957 24.708 -4.119 -8.025 1.00 0.00 C ATOM 7 CD GLU A 957 24.995 -3.186 -9.184 1.00 0.00 C ATOM 8 OE1 GLU A 957 25.370 -3.683 -10.267 1.00 0.00 O ATOM 9 OE2 GLU A 957 24.843 -1.958 -9.011 1.00 0.00 O ATOM 0 HA GLU A 957 21.239 -4.227 -7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 957 23.228 -5.487 -7.307 1.00 0.00 H new ATOM 0 HB3 GLU A 957 23.172 -5.212 -9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 957 24.831 -3.575 -7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 957 25.442 -4.924 -8.024 1.00 0.00 H new ATOM 18 N ALA A 958 22.389 -1.568 -6.733 1.00 0.00 N ATOM 19 CA ALA A 958 22.597 -0.681 -5.594 1.00 0.00 C ATOM 20 C ALA A 958 21.756 0.584 -5.723 1.00 0.00 C ATOM 21 O ALA A 958 22.261 1.643 -6.096 1.00 0.00 O ATOM 22 CB ALA A 958 24.072 -0.327 -5.464 1.00 0.00 C ATOM 0 H ALA A 958 22.209 -1.087 -7.614 1.00 0.00 H new ATOM 0 HA ALA A 958 22.280 -1.206 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 958 24.213 0.335 -4.610 1.00 0.00 H new ATOM 0 HB2 ALA A 958 24.653 -1.237 -5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 958 24.407 0.175 -6.372 1.00 0.00 H new ATOM 28 N GLU A 959 20.468 0.466 -5.416 1.00 0.00 N ATOM 29 CA GLU A 959 19.552 1.598 -5.514 1.00 0.00 C ATOM 30 C GLU A 959 18.350 1.407 -4.595 1.00 0.00 C ATOM 31 O GLU A 959 17.363 0.772 -4.970 1.00 0.00 O ATOM 32 CB GLU A 959 19.082 1.776 -6.959 1.00 0.00 C ATOM 33 CG GLU A 959 18.152 2.963 -7.158 1.00 0.00 C ATOM 34 CD GLU A 959 18.808 4.283 -6.799 1.00 0.00 C ATOM 35 OE1 GLU A 959 18.709 4.694 -5.623 1.00 0.00 O ATOM 36 OE2 GLU A 959 19.418 4.904 -7.693 1.00 0.00 O ATOM 0 H GLU A 959 20.035 -0.401 -5.098 1.00 0.00 H new ATOM 0 HA GLU A 959 20.087 2.495 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 959 19.953 1.897 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 959 18.572 0.868 -7.280 1.00 0.00 H new ATOM 0 HG2 GLU A 959 17.826 2.994 -8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 959 17.259 2.827 -6.548 1.00 0.00 H new ATOM 43 N ALA A 960 18.437 1.963 -3.391 1.00 0.00 N ATOM 44 CA ALA A 960 17.344 1.882 -2.429 1.00 0.00 C ATOM 45 C ALA A 960 16.476 3.136 -2.480 1.00 0.00 C ATOM 46 O ALA A 960 16.611 4.032 -1.647 1.00 0.00 O ATOM 47 CB ALA A 960 17.892 1.672 -1.025 1.00 0.00 C ATOM 0 H ALA A 960 19.254 2.475 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 960 16.720 1.029 -2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 960 17.065 1.613 -0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 960 18.464 0.745 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 960 18.540 2.507 -0.758 1.00 0.00 H new ATOM 53 N LYS A 961 15.592 3.195 -3.470 1.00 0.00 N ATOM 54 CA LYS A 961 14.738 4.361 -3.666 1.00 0.00 C ATOM 55 C LYS A 961 13.584 4.032 -4.610 1.00 0.00 C ATOM 56 O LYS A 961 13.563 2.964 -5.224 1.00 0.00 O ATOM 57 CB LYS A 961 15.561 5.528 -4.221 1.00 0.00 C ATOM 58 CG LYS A 961 14.843 6.868 -4.167 1.00 0.00 C ATOM 59 CD LYS A 961 15.721 7.996 -4.687 1.00 0.00 C ATOM 60 CE LYS A 961 16.941 8.210 -3.805 1.00 0.00 C ATOM 61 NZ LYS A 961 16.562 8.545 -2.405 1.00 0.00 N ATOM 0 H LYS A 961 15.448 2.448 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 961 14.320 4.650 -2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 961 16.492 5.603 -3.659 1.00 0.00 H new ATOM 0 HB3 LYS A 961 15.829 5.312 -5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 961 13.929 6.816 -4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 961 14.546 7.081 -3.140 1.00 0.00 H new ATOM 0 HD2 LYS A 961 16.042 7.768 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS A 961 15.140 8.917 -4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 961 17.555 7.309 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 961 17.551 9.013 -4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 961 17.389 8.928 -1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 961 15.802 9.255 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 961 16.230 7.687 -1.920 1.00 0.00 H new ATOM 75 N SER A 962 12.629 4.954 -4.719 1.00 0.00 N ATOM 76 CA SER A 962 11.472 4.776 -5.596 1.00 0.00 C ATOM 77 C SER A 962 10.793 3.431 -5.347 1.00 0.00 C ATOM 78 O SER A 962 11.100 2.436 -6.004 1.00 0.00 O ATOM 79 CB SER A 962 11.885 4.896 -7.067 1.00 0.00 C ATOM 80 OG SER A 962 12.803 3.881 -7.431 1.00 0.00 O ATOM 0 H SER A 962 12.634 5.837 -4.208 1.00 0.00 H new ATOM 0 HA SER A 962 10.757 5.566 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 962 11.001 4.833 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 962 12.334 5.874 -7.242 1.00 0.00 H new ATOM 0 HG SER A 962 12.724 3.129 -6.807 1.00 0.00 H new ATOM 86 N CYS A 963 9.870 3.412 -4.391 1.00 0.00 N ATOM 87 CA CYS A 963 9.163 2.188 -4.032 1.00 0.00 C ATOM 88 C CYS A 963 8.062 1.877 -5.040 1.00 0.00 C ATOM 89 O CYS A 963 7.329 2.768 -5.467 1.00 0.00 O ATOM 90 CB CYS A 963 8.563 2.317 -2.630 1.00 0.00 C ATOM 91 SG CYS A 963 9.780 2.721 -1.336 1.00 0.00 S ATOM 0 H CYS A 963 9.594 4.232 -3.850 1.00 0.00 H new ATOM 0 HA CYS A 963 9.881 1.368 -4.042 1.00 0.00 H new ATOM 0 HB2 CYS A 963 7.794 3.090 -2.645 1.00 0.00 H new ATOM 0 HB3 CYS A 963 8.069 1.381 -2.370 1.00 0.00 H new ATOM 96 N LYS A 964 7.949 0.605 -5.409 1.00 0.00 N ATOM 97 CA LYS A 964 6.911 0.167 -6.336 1.00 0.00 C ATOM 98 C LYS A 964 5.526 0.363 -5.730 1.00 0.00 C ATOM 99 O LYS A 964 5.090 -0.424 -4.890 1.00 0.00 O ATOM 100 CB LYS A 964 7.116 -1.303 -6.707 1.00 0.00 C ATOM 101 CG LYS A 964 8.452 -1.582 -7.377 1.00 0.00 C ATOM 102 CD LYS A 964 8.605 -3.052 -7.737 1.00 0.00 C ATOM 103 CE LYS A 964 7.595 -3.480 -8.789 1.00 0.00 C ATOM 104 NZ LYS A 964 7.747 -2.706 -10.052 1.00 0.00 N ATOM 0 H LYS A 964 8.563 -0.140 -5.081 1.00 0.00 H new ATOM 0 HA LYS A 964 6.983 0.774 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 964 7.037 -1.911 -5.806 1.00 0.00 H new ATOM 0 HB3 LYS A 964 6.312 -1.616 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 964 8.541 -0.976 -8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 964 9.262 -1.284 -6.711 1.00 0.00 H new ATOM 0 HD2 LYS A 964 9.614 -3.233 -8.106 1.00 0.00 H new ATOM 0 HD3 LYS A 964 8.479 -3.661 -6.842 1.00 0.00 H new ATOM 0 HE2 LYS A 964 7.717 -4.543 -8.998 1.00 0.00 H new ATOM 0 HE3 LYS A 964 6.586 -3.345 -8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 964 7.229 -3.184 -10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 964 7.364 -1.748 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 964 8.755 -2.644 -10.302 1.00 0.00 H new ATOM 118 N THR A 965 4.846 1.424 -6.153 1.00 0.00 N ATOM 119 CA THR A 965 3.536 1.762 -5.608 1.00 0.00 C ATOM 120 C THR A 965 2.549 0.609 -5.784 1.00 0.00 C ATOM 121 O THR A 965 2.486 -0.005 -6.849 1.00 0.00 O ATOM 122 CB THR A 965 2.958 3.021 -6.280 1.00 0.00 C ATOM 123 OG1 THR A 965 2.752 2.781 -7.677 1.00 0.00 O ATOM 124 CG2 THR A 965 3.891 4.207 -6.097 1.00 0.00 C ATOM 0 H THR A 965 5.181 2.065 -6.872 1.00 0.00 H new ATOM 0 HA THR A 965 3.678 1.956 -4.545 1.00 0.00 H new ATOM 0 HB THR A 965 2.003 3.252 -5.807 1.00 0.00 H new ATOM 0 HG1 THR A 965 2.383 3.586 -8.096 1.00 0.00 H new ATOM 0 HG21 THR A 965 3.462 5.085 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 965 4.023 4.406 -5.033 1.00 0.00 H new ATOM 0 HG23 THR A 965 4.858 3.982 -6.546 1.00 0.00 H new ATOM 132 N PRO A 966 1.764 0.301 -4.736 1.00 0.00 N ATOM 133 CA PRO A 966 0.776 -0.780 -4.779 1.00 0.00 C ATOM 134 C PRO A 966 -0.451 -0.409 -5.609 1.00 0.00 C ATOM 135 O PRO A 966 -0.819 0.763 -5.695 1.00 0.00 O ATOM 136 CB PRO A 966 0.392 -0.961 -3.311 1.00 0.00 C ATOM 137 CG PRO A 966 0.607 0.380 -2.701 1.00 0.00 C ATOM 138 CD PRO A 966 1.779 0.984 -3.426 1.00 0.00 C ATOM 0 HA PRO A 966 1.174 -1.681 -5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 966 -0.645 -1.282 -3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 966 1.010 -1.719 -2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 966 -0.281 1.004 -2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 966 0.811 0.295 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 966 1.671 2.063 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 966 2.714 0.810 -2.893 1.00 0.00 H new ATOM 146 N PRO A 967 -1.102 -1.408 -6.231 1.00 0.00 N ATOM 147 CA PRO A 967 -2.294 -1.181 -7.055 1.00 0.00 C ATOM 148 C PRO A 967 -3.472 -0.667 -6.235 1.00 0.00 C ATOM 149 O PRO A 967 -3.816 -1.238 -5.199 1.00 0.00 O ATOM 150 CB PRO A 967 -2.608 -2.566 -7.631 1.00 0.00 C ATOM 151 CG PRO A 967 -1.961 -3.526 -6.693 1.00 0.00 C ATOM 152 CD PRO A 967 -0.731 -2.834 -6.180 1.00 0.00 C ATOM 0 HA PRO A 967 -2.120 -0.421 -7.817 1.00 0.00 H new ATOM 0 HB2 PRO A 967 -3.683 -2.735 -7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 967 -2.213 -2.673 -8.641 1.00 0.00 H new ATOM 0 HG2 PRO A 967 -2.633 -3.786 -5.875 1.00 0.00 H new ATOM 0 HG3 PRO A 967 -1.703 -4.455 -7.201 1.00 0.00 H new ATOM 0 HD2 PRO A 967 -0.484 -3.150 -5.166 1.00 0.00 H new ATOM 0 HD3 PRO A 967 0.139 -3.046 -6.801 1.00 0.00 H new ATOM 160 N ASP A 968 -4.082 0.417 -6.702 1.00 0.00 N ATOM 161 CA ASP A 968 -5.199 1.035 -5.995 1.00 0.00 C ATOM 162 C ASP A 968 -6.346 0.043 -5.812 1.00 0.00 C ATOM 163 O ASP A 968 -6.807 -0.567 -6.777 1.00 0.00 O ATOM 164 CB ASP A 968 -5.691 2.267 -6.757 1.00 0.00 C ATOM 165 CG ASP A 968 -6.132 1.938 -8.169 1.00 0.00 C ATOM 166 OD1 ASP A 968 -5.282 1.985 -9.083 1.00 0.00 O ATOM 167 OD2 ASP A 968 -7.328 1.631 -8.362 1.00 0.00 O ATOM 0 H ASP A 968 -3.821 0.887 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 968 -4.848 1.341 -5.009 1.00 0.00 H new ATOM 0 HB2 ASP A 968 -6.523 2.717 -6.215 1.00 0.00 H new ATOM 0 HB3 ASP A 968 -4.895 3.010 -6.792 1.00 0.00 H new ATOM 172 N PRO A 969 -6.822 -0.130 -4.564 1.00 0.00 N ATOM 173 CA PRO A 969 -7.930 -1.043 -4.259 1.00 0.00 C ATOM 174 C PRO A 969 -9.169 -0.747 -5.097 1.00 0.00 C ATOM 175 O PRO A 969 -9.464 0.410 -5.400 1.00 0.00 O ATOM 176 CB PRO A 969 -8.214 -0.780 -2.777 1.00 0.00 C ATOM 177 CG PRO A 969 -6.939 -0.236 -2.235 1.00 0.00 C ATOM 178 CD PRO A 969 -6.318 0.550 -3.355 1.00 0.00 C ATOM 0 HA PRO A 969 -7.675 -2.080 -4.480 1.00 0.00 H new ATOM 0 HB2 PRO A 969 -9.032 -0.070 -2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 969 -8.504 -1.696 -2.261 1.00 0.00 H new ATOM 0 HG2 PRO A 969 -7.122 0.398 -1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 969 -6.279 -1.040 -1.909 1.00 0.00 H new ATOM 0 HD2 PRO A 969 -6.619 1.597 -3.327 1.00 0.00 H new ATOM 0 HD3 PRO A 969 -5.229 0.530 -3.306 1.00 0.00 H new ATOM 186 N VAL A 970 -9.887 -1.800 -5.471 1.00 0.00 N ATOM 187 CA VAL A 970 -11.082 -1.659 -6.295 1.00 0.00 C ATOM 188 C VAL A 970 -12.122 -0.778 -5.609 1.00 0.00 C ATOM 189 O VAL A 970 -12.246 -0.794 -4.384 1.00 0.00 O ATOM 190 CB VAL A 970 -11.708 -3.032 -6.613 1.00 0.00 C ATOM 191 CG1 VAL A 970 -12.176 -3.718 -5.337 1.00 0.00 C ATOM 192 CG2 VAL A 970 -12.856 -2.884 -7.602 1.00 0.00 C ATOM 0 H VAL A 970 -9.662 -2.762 -5.216 1.00 0.00 H new ATOM 0 HA VAL A 970 -10.773 -1.187 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 970 -10.944 -3.658 -7.073 1.00 0.00 H new ATOM 0 HG11 VAL A 970 -12.614 -4.685 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 970 -11.326 -3.864 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 970 -12.923 -3.097 -4.843 1.00 0.00 H new ATOM 0 HG21 VAL A 970 -13.283 -3.864 -7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 970 -13.623 -2.238 -7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 970 -12.485 -2.444 -8.527 1.00 0.00 H new ATOM 202 N ASN A 971 -12.855 -0.005 -6.412 1.00 0.00 N ATOM 203 CA ASN A 971 -13.874 0.914 -5.902 1.00 0.00 C ATOM 204 C ASN A 971 -13.243 2.134 -5.230 1.00 0.00 C ATOM 205 O ASN A 971 -13.828 3.217 -5.223 1.00 0.00 O ATOM 206 CB ASN A 971 -14.811 0.202 -4.921 1.00 0.00 C ATOM 207 CG ASN A 971 -15.586 -0.926 -5.572 1.00 0.00 C ATOM 208 OD1 ASN A 971 -15.037 -2.134 -5.511 1.00 0.00 O flip ATOM 209 ND2 ASN A 971 -16.666 -0.716 -6.123 1.00 0.00 N flip ATOM 0 H ASN A 971 -12.760 0.002 -7.428 1.00 0.00 H new ATOM 0 HA ASN A 971 -14.455 1.259 -6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 971 -14.228 -0.195 -4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 971 -15.511 0.925 -4.503 1.00 0.00 H new ATOM 0 HD21 ASN A 971 -17.051 0.228 -6.147 1.00 0.00 H new ATOM 0 HD22 ASN A 971 -17.176 -1.486 -6.556 1.00 0.00 H new ATOM 216 N GLY A 972 -12.052 1.954 -4.664 1.00 0.00 N ATOM 217 CA GLY A 972 -11.384 3.046 -3.980 1.00 0.00 C ATOM 218 C GLY A 972 -10.000 3.319 -4.535 1.00 0.00 C ATOM 219 O GLY A 972 -9.747 3.108 -5.720 1.00 0.00 O ATOM 0 H GLY A 972 -11.539 1.072 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 972 -11.990 3.948 -4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 972 -11.306 2.812 -2.918 1.00 0.00 H new ATOM 223 N MET A 973 -9.103 3.790 -3.674 1.00 0.00 N ATOM 224 CA MET A 973 -7.736 4.094 -4.082 1.00 0.00 C ATOM 225 C MET A 973 -6.832 4.267 -2.866 1.00 0.00 C ATOM 226 O MET A 973 -7.262 4.077 -1.728 1.00 0.00 O ATOM 227 CB MET A 973 -7.704 5.362 -4.942 1.00 0.00 C ATOM 228 CG MET A 973 -8.117 6.623 -4.196 1.00 0.00 C ATOM 229 SD MET A 973 -9.861 6.627 -3.741 1.00 0.00 S ATOM 230 CE MET A 973 -9.985 8.199 -2.890 1.00 0.00 C ATOM 0 H MET A 973 -9.299 3.969 -2.689 1.00 0.00 H new ATOM 0 HA MET A 973 -7.366 3.256 -4.672 1.00 0.00 H new ATOM 0 HB2 MET A 973 -6.696 5.498 -5.335 1.00 0.00 H new ATOM 0 HB3 MET A 973 -8.364 5.225 -5.798 1.00 0.00 H new ATOM 0 HG2 MET A 973 -7.511 6.721 -3.295 1.00 0.00 H new ATOM 0 HG3 MET A 973 -7.907 7.493 -4.818 1.00 0.00 H new ATOM 0 HE1 MET A 973 -11.009 8.347 -2.547 1.00 0.00 H new ATOM 0 HE2 MET A 973 -9.311 8.203 -2.033 1.00 0.00 H new ATOM 0 HE3 MET A 973 -9.711 9.004 -3.571 1.00 0.00 H new ATOM 240 N VAL A 974 -5.577 4.631 -3.114 1.00 0.00 N ATOM 241 CA VAL A 974 -4.617 4.847 -2.039 1.00 0.00 C ATOM 242 C VAL A 974 -4.630 6.297 -1.568 1.00 0.00 C ATOM 243 O VAL A 974 -5.450 7.099 -2.015 1.00 0.00 O ATOM 244 CB VAL A 974 -3.187 4.478 -2.474 1.00 0.00 C ATOM 245 CG1 VAL A 974 -3.030 2.969 -2.568 1.00 0.00 C ATOM 246 CG2 VAL A 974 -2.840 5.145 -3.797 1.00 0.00 C ATOM 0 H VAL A 974 -5.202 4.782 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 974 -4.919 4.197 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 974 -2.491 4.844 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 974 -2.013 2.728 -2.877 1.00 0.00 H new ATOM 0 HG12 VAL A 974 -3.230 2.521 -1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 974 -3.735 2.575 -3.300 1.00 0.00 H new ATOM 0 HG21 VAL A 974 -1.825 4.872 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 974 -3.539 4.814 -4.565 1.00 0.00 H new ATOM 0 HG23 VAL A 974 -2.907 6.227 -3.687 1.00 0.00 H new ATOM 256 N HIS A 975 -3.710 6.625 -0.666 1.00 0.00 N ATOM 257 CA HIS A 975 -3.597 7.981 -0.146 1.00 0.00 C ATOM 258 C HIS A 975 -2.152 8.297 0.228 1.00 0.00 C ATOM 259 O HIS A 975 -1.739 8.103 1.372 1.00 0.00 O ATOM 260 CB HIS A 975 -4.506 8.158 1.073 1.00 0.00 C ATOM 261 CG HIS A 975 -4.511 9.550 1.622 1.00 0.00 C ATOM 262 ND1 HIS A 975 -5.459 10.493 1.281 1.00 0.00 N ATOM 263 CD2 HIS A 975 -3.679 10.159 2.500 1.00 0.00 C ATOM 264 CE1 HIS A 975 -5.207 11.620 1.923 1.00 0.00 C ATOM 265 NE2 HIS A 975 -4.133 11.443 2.670 1.00 0.00 N ATOM 0 H HIS A 975 -3.032 5.968 -0.280 1.00 0.00 H new ATOM 0 HA HIS A 975 -3.911 8.674 -0.926 1.00 0.00 H new ATOM 0 HB2 HIS A 975 -5.524 7.881 0.799 1.00 0.00 H new ATOM 0 HB3 HIS A 975 -4.188 7.469 1.856 1.00 0.00 H new ATOM 0 HD2 HIS A 975 -2.818 9.716 2.978 1.00 0.00 H new ATOM 0 HE1 HIS A 975 -5.782 12.531 1.849 1.00 0.00 H new ATOM 0 HE2 HIS A 975 -3.709 12.146 3.275 1.00 0.00 H new ATOM 274 N VAL A 976 -1.389 8.790 -0.742 1.00 0.00 N ATOM 275 CA VAL A 976 -0.004 9.181 -0.502 1.00 0.00 C ATOM 276 C VAL A 976 0.067 10.350 0.475 1.00 0.00 C ATOM 277 O VAL A 976 -0.167 11.500 0.100 1.00 0.00 O ATOM 278 CB VAL A 976 0.705 9.573 -1.814 1.00 0.00 C ATOM 279 CG1 VAL A 976 2.134 10.020 -1.539 1.00 0.00 C ATOM 280 CG2 VAL A 976 0.682 8.414 -2.799 1.00 0.00 C ATOM 0 H VAL A 976 -1.706 8.928 -1.702 1.00 0.00 H new ATOM 0 HA VAL A 976 0.504 8.318 -0.072 1.00 0.00 H new ATOM 0 HB VAL A 976 0.167 10.410 -2.259 1.00 0.00 H new ATOM 0 HG11 VAL A 976 2.617 10.292 -2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 976 2.124 10.883 -0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 976 2.686 9.206 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 976 1.187 8.708 -3.719 1.00 0.00 H new ATOM 0 HG22 VAL A 976 1.194 7.556 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 976 -0.351 8.146 -3.021 1.00 0.00 H new ATOM 290 N ILE A 977 0.378 10.046 1.731 1.00 0.00 N ATOM 291 CA ILE A 977 0.399 11.057 2.781 1.00 0.00 C ATOM 292 C ILE A 977 1.406 12.161 2.470 1.00 0.00 C ATOM 293 O ILE A 977 1.157 13.334 2.746 1.00 0.00 O ATOM 294 CB ILE A 977 0.740 10.433 4.147 1.00 0.00 C ATOM 295 CG1 ILE A 977 -0.249 9.314 4.474 1.00 0.00 C ATOM 296 CG2 ILE A 977 0.727 11.496 5.236 1.00 0.00 C ATOM 297 CD1 ILE A 977 0.171 8.460 5.650 1.00 0.00 C ATOM 0 H ILE A 977 0.619 9.106 2.046 1.00 0.00 H new ATOM 0 HA ILE A 977 -0.600 11.490 2.824 1.00 0.00 H new ATOM 0 HB ILE A 977 1.743 10.008 4.098 1.00 0.00 H new ATOM 0 HG12 ILE A 977 -1.225 9.752 4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 977 -0.368 8.677 3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 977 0.970 11.038 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 977 1.465 12.264 5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 977 -0.263 11.949 5.291 1.00 0.00 H new ATOM 0 HD11 ILE A 977 -0.578 7.687 5.824 1.00 0.00 H new ATOM 0 HD12 ILE A 977 1.132 7.993 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 977 0.262 9.084 6.539 1.00 0.00 H new ATOM 309 N THR A 978 2.542 11.778 1.897 1.00 0.00 N ATOM 310 CA THR A 978 3.592 12.736 1.567 1.00 0.00 C ATOM 311 C THR A 978 4.421 12.258 0.381 1.00 0.00 C ATOM 312 O THR A 978 4.506 12.936 -0.644 1.00 0.00 O ATOM 313 CB THR A 978 4.526 12.982 2.768 1.00 0.00 C ATOM 314 OG1 THR A 978 3.765 13.419 3.900 1.00 0.00 O ATOM 315 CG2 THR A 978 5.580 14.025 2.429 1.00 0.00 C ATOM 0 H THR A 978 2.759 10.812 1.652 1.00 0.00 H new ATOM 0 HA THR A 978 3.096 13.670 1.305 1.00 0.00 H new ATOM 0 HB THR A 978 5.027 12.044 3.007 1.00 0.00 H new ATOM 0 HG1 THR A 978 4.366 13.571 4.659 1.00 0.00 H new ATOM 0 HG21 THR A 978 6.227 14.182 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 978 6.177 13.678 1.586 1.00 0.00 H new ATOM 0 HG23 THR A 978 5.092 14.964 2.166 1.00 0.00 H new ATOM 323 N ASP A 979 5.036 11.089 0.528 1.00 0.00 N ATOM 324 CA ASP A 979 5.892 10.538 -0.511 1.00 0.00 C ATOM 325 C ASP A 979 5.784 9.018 -0.547 1.00 0.00 C ATOM 326 O ASP A 979 4.893 8.435 0.073 1.00 0.00 O ATOM 327 CB ASP A 979 7.346 10.958 -0.279 1.00 0.00 C ATOM 328 CG ASP A 979 7.826 10.650 1.127 1.00 0.00 C ATOM 329 OD1 ASP A 979 7.437 9.595 1.670 1.00 0.00 O ATOM 330 OD2 ASP A 979 8.591 11.465 1.684 1.00 0.00 O ATOM 0 H ASP A 979 4.956 10.505 1.360 1.00 0.00 H new ATOM 0 HA ASP A 979 5.561 10.931 -1.472 1.00 0.00 H new ATOM 0 HB2 ASP A 979 7.987 10.447 -0.998 1.00 0.00 H new ATOM 0 HB3 ASP A 979 7.446 12.027 -0.467 1.00 0.00 H new ATOM 335 N ILE A 980 6.687 8.385 -1.282 1.00 0.00 N ATOM 336 CA ILE A 980 6.655 6.940 -1.455 1.00 0.00 C ATOM 337 C ILE A 980 8.064 6.373 -1.585 1.00 0.00 C ATOM 338 O ILE A 980 8.297 5.421 -2.331 1.00 0.00 O ATOM 339 CB ILE A 980 5.829 6.546 -2.694 1.00 0.00 C ATOM 340 CG1 ILE A 980 6.041 7.567 -3.814 1.00 0.00 C ATOM 341 CG2 ILE A 980 4.354 6.439 -2.334 1.00 0.00 C ATOM 342 CD1 ILE A 980 5.344 7.205 -5.108 1.00 0.00 C ATOM 0 H ILE A 980 7.453 8.851 -1.769 1.00 0.00 H new ATOM 0 HA ILE A 980 6.183 6.520 -0.567 1.00 0.00 H new ATOM 0 HB ILE A 980 6.165 5.571 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 980 5.683 8.540 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 980 7.110 7.669 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 980 3.783 6.160 -3.219 1.00 0.00 H new ATOM 0 HG22 ILE A 980 4.222 5.680 -1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 980 4.000 7.400 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 980 5.540 7.975 -5.854 1.00 0.00 H new ATOM 0 HD12 ILE A 980 5.719 6.247 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 980 4.270 7.132 -4.935 1.00 0.00 H new ATOM 354 N GLN A 981 8.998 6.961 -0.846 1.00 0.00 N ATOM 355 CA GLN A 981 10.377 6.487 -0.835 1.00 0.00 C ATOM 356 C GLN A 981 10.596 5.485 0.295 1.00 0.00 C ATOM 357 O GLN A 981 9.646 5.059 0.949 1.00 0.00 O ATOM 358 CB GLN A 981 11.343 7.663 -0.684 1.00 0.00 C ATOM 359 CG GLN A 981 11.217 8.700 -1.788 1.00 0.00 C ATOM 360 CD GLN A 981 12.179 9.860 -1.613 1.00 0.00 C ATOM 361 OE1 GLN A 981 13.268 9.700 -1.060 1.00 0.00 O ATOM 362 NE2 GLN A 981 11.781 11.035 -2.084 1.00 0.00 N ATOM 0 H GLN A 981 8.825 7.768 -0.246 1.00 0.00 H new ATOM 0 HA GLN A 981 10.572 5.988 -1.784 1.00 0.00 H new ATOM 0 HB2 GLN A 981 11.168 8.145 0.278 1.00 0.00 H new ATOM 0 HB3 GLN A 981 12.365 7.283 -0.669 1.00 0.00 H new ATOM 0 HG2 GLN A 981 11.400 8.224 -2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 981 10.196 9.080 -1.809 1.00 0.00 H new ATOM 0 HE21 GLN A 981 10.870 11.122 -2.535 1.00 0.00 H new ATOM 0 HE22 GLN A 981 12.386 11.852 -1.995 1.00 0.00 H new ATOM 371 N VAL A 982 11.852 5.115 0.519 1.00 0.00 N ATOM 372 CA VAL A 982 12.190 4.177 1.582 1.00 0.00 C ATOM 373 C VAL A 982 11.943 4.794 2.955 1.00 0.00 C ATOM 374 O VAL A 982 12.360 5.920 3.225 1.00 0.00 O ATOM 375 CB VAL A 982 13.659 3.727 1.488 1.00 0.00 C ATOM 376 CG1 VAL A 982 13.980 2.703 2.567 1.00 0.00 C ATOM 377 CG2 VAL A 982 13.953 3.168 0.106 1.00 0.00 C ATOM 0 H VAL A 982 12.651 5.449 -0.020 1.00 0.00 H new ATOM 0 HA VAL A 982 11.545 3.307 1.456 1.00 0.00 H new ATOM 0 HB VAL A 982 14.297 4.596 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 982 15.023 2.399 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 982 13.810 3.144 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 982 13.337 1.831 2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 982 14.996 2.854 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 982 13.306 2.312 -0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 982 13.768 3.937 -0.644 1.00 0.00 H new ATOM 387 N GLY A 983 11.258 4.049 3.815 1.00 0.00 N ATOM 388 CA GLY A 983 10.951 4.543 5.145 1.00 0.00 C ATOM 389 C GLY A 983 9.599 5.224 5.211 1.00 0.00 C ATOM 390 O GLY A 983 9.113 5.545 6.296 1.00 0.00 O ATOM 0 H GLY A 983 10.909 3.111 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 983 10.972 3.713 5.851 1.00 0.00 H new ATOM 0 HA3 GLY A 983 11.724 5.246 5.456 1.00 0.00 H new ATOM 394 N SER A 984 8.991 5.447 4.049 1.00 0.00 N ATOM 395 CA SER A 984 7.685 6.095 3.985 1.00 0.00 C ATOM 396 C SER A 984 6.585 5.147 4.448 1.00 0.00 C ATOM 397 O SER A 984 6.815 3.949 4.616 1.00 0.00 O ATOM 398 CB SER A 984 7.393 6.572 2.562 1.00 0.00 C ATOM 399 OG SER A 984 7.197 5.476 1.685 1.00 0.00 O ATOM 0 H SER A 984 9.380 5.189 3.142 1.00 0.00 H new ATOM 0 HA SER A 984 7.705 6.957 4.652 1.00 0.00 H new ATOM 0 HB2 SER A 984 6.505 7.204 2.562 1.00 0.00 H new ATOM 0 HB3 SER A 984 8.220 7.185 2.204 1.00 0.00 H new ATOM 0 HG SER A 984 8.039 5.267 1.229 1.00 0.00 H new ATOM 405 N ARG A 985 5.389 5.690 4.654 1.00 0.00 N ATOM 406 CA ARG A 985 4.253 4.891 5.098 1.00 0.00 C ATOM 407 C ARG A 985 2.937 5.514 4.642 1.00 0.00 C ATOM 408 O ARG A 985 2.312 6.276 5.380 1.00 0.00 O ATOM 409 CB ARG A 985 4.267 4.754 6.620 1.00 0.00 C ATOM 410 CG ARG A 985 3.176 3.842 7.160 1.00 0.00 C ATOM 411 CD ARG A 985 3.219 3.759 8.678 1.00 0.00 C ATOM 412 NE ARG A 985 2.175 2.888 9.208 1.00 0.00 N ATOM 413 CZ ARG A 985 1.937 2.726 10.507 1.00 0.00 C ATOM 414 NH1 ARG A 985 2.665 3.376 11.404 1.00 0.00 N ATOM 415 NH2 ARG A 985 0.968 1.914 10.909 1.00 0.00 N ATOM 0 H ARG A 985 5.182 6.680 4.520 1.00 0.00 H new ATOM 0 HA ARG A 985 4.338 3.901 4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 985 5.238 4.370 6.933 1.00 0.00 H new ATOM 0 HB3 ARG A 985 4.157 5.742 7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 985 2.201 4.212 6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 985 3.292 2.844 6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 985 4.195 3.389 8.993 1.00 0.00 H new ATOM 0 HD3 ARG A 985 3.106 4.758 9.099 1.00 0.00 H new ATOM 0 HE ARG A 985 1.595 2.374 8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 985 3.410 4.002 11.099 1.00 0.00 H new ATOM 0 HH12 ARG A 985 2.480 3.250 12.399 1.00 0.00 H new ATOM 0 HH21 ARG A 985 0.405 1.413 10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 985 0.786 1.791 11.905 1.00 0.00 H new ATOM 429 N ILE A 986 2.516 5.177 3.427 1.00 0.00 N ATOM 430 CA ILE A 986 1.238 5.648 2.903 1.00 0.00 C ATOM 431 C ILE A 986 0.078 4.869 3.515 1.00 0.00 C ATOM 432 O ILE A 986 0.282 4.006 4.370 1.00 0.00 O ATOM 433 CB ILE A 986 1.176 5.526 1.368 1.00 0.00 C ATOM 434 CG1 ILE A 986 1.353 4.067 0.941 1.00 0.00 C ATOM 435 CG2 ILE A 986 2.240 6.404 0.725 1.00 0.00 C ATOM 436 CD1 ILE A 986 1.150 3.837 -0.540 1.00 0.00 C ATOM 0 H ILE A 986 3.040 4.580 2.787 1.00 0.00 H new ATOM 0 HA ILE A 986 1.151 6.700 3.175 1.00 0.00 H new ATOM 0 HB ILE A 986 0.197 5.866 1.031 1.00 0.00 H new ATOM 0 HG12 ILE A 986 2.354 3.736 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 986 0.648 3.447 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 986 2.185 6.308 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 986 2.072 7.444 1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 986 3.226 6.090 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 986 1.292 2.780 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 986 0.140 4.136 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 986 1.872 4.429 -1.102 1.00 0.00 H new ATOM 448 N THR A 987 -1.140 5.185 3.084 1.00 0.00 N ATOM 449 CA THR A 987 -2.334 4.572 3.655 1.00 0.00 C ATOM 450 C THR A 987 -3.377 4.290 2.579 1.00 0.00 C ATOM 451 O THR A 987 -3.448 4.991 1.569 1.00 0.00 O ATOM 452 CB THR A 987 -2.966 5.467 4.738 1.00 0.00 C ATOM 453 OG1 THR A 987 -3.274 6.755 4.192 1.00 0.00 O ATOM 454 CG2 THR A 987 -2.028 5.625 5.925 1.00 0.00 C ATOM 0 H THR A 987 -1.325 5.861 2.343 1.00 0.00 H new ATOM 0 HA THR A 987 -2.017 3.633 4.108 1.00 0.00 H new ATOM 0 HB THR A 987 -3.884 4.990 5.081 1.00 0.00 H new ATOM 0 HG1 THR A 987 -3.677 7.317 4.887 1.00 0.00 H new ATOM 0 HG21 THR A 987 -2.496 6.261 6.676 1.00 0.00 H new ATOM 0 HG22 THR A 987 -1.820 4.646 6.357 1.00 0.00 H new ATOM 0 HG23 THR A 987 -1.095 6.081 5.593 1.00 0.00 H new ATOM 462 N TYR A 988 -4.187 3.261 2.805 1.00 0.00 N ATOM 463 CA TYR A 988 -5.241 2.894 1.867 1.00 0.00 C ATOM 464 C TYR A 988 -6.583 3.468 2.310 1.00 0.00 C ATOM 465 O TYR A 988 -6.960 3.359 3.478 1.00 0.00 O ATOM 466 CB TYR A 988 -5.335 1.373 1.744 1.00 0.00 C ATOM 467 CG TYR A 988 -4.030 0.719 1.350 1.00 0.00 C ATOM 468 CD1 TYR A 988 -3.594 0.734 0.031 1.00 0.00 C ATOM 469 CD2 TYR A 988 -3.232 0.090 2.298 1.00 0.00 C ATOM 470 CE1 TYR A 988 -2.401 0.139 -0.332 1.00 0.00 C ATOM 471 CE2 TYR A 988 -2.036 -0.506 1.941 1.00 0.00 C ATOM 472 CZ TYR A 988 -1.626 -0.478 0.625 1.00 0.00 C ATOM 473 OH TYR A 988 -0.437 -1.070 0.266 1.00 0.00 O ATOM 0 H TYR A 988 -4.133 2.666 3.631 1.00 0.00 H new ATOM 0 HA TYR A 988 -4.992 3.313 0.892 1.00 0.00 H new ATOM 0 HB2 TYR A 988 -5.667 0.959 2.696 1.00 0.00 H new ATOM 0 HB3 TYR A 988 -6.096 1.122 1.005 1.00 0.00 H new ATOM 0 HD1 TYR A 988 -4.197 1.218 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 988 -3.551 0.066 3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 988 -2.077 0.158 -1.362 1.00 0.00 H new ATOM 0 HE2 TYR A 988 -1.426 -0.991 2.689 1.00 0.00 H new ATOM 0 HH TYR A 988 -0.498 -1.394 -0.657 1.00 0.00 H new ATOM 483 N SER A 989 -7.286 4.104 1.379 1.00 0.00 N ATOM 484 CA SER A 989 -8.502 4.841 1.708 1.00 0.00 C ATOM 485 C SER A 989 -9.748 3.991 1.477 1.00 0.00 C ATOM 486 O SER A 989 -10.671 3.998 2.293 1.00 0.00 O ATOM 487 CB SER A 989 -8.585 6.121 0.874 1.00 0.00 C ATOM 488 OG SER A 989 -9.757 6.856 1.183 1.00 0.00 O ATOM 0 H SER A 989 -7.035 4.124 0.391 1.00 0.00 H new ATOM 0 HA SER A 989 -8.459 5.100 2.766 1.00 0.00 H new ATOM 0 HB2 SER A 989 -7.706 6.738 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 989 -8.579 5.869 -0.186 1.00 0.00 H new ATOM 0 HG SER A 989 -9.786 7.670 0.638 1.00 0.00 H new ATOM 494 N CYS A 990 -9.782 3.285 0.350 1.00 0.00 N ATOM 495 CA CYS A 990 -10.979 2.555 -0.063 1.00 0.00 C ATOM 496 C CYS A 990 -12.178 3.492 -0.188 1.00 0.00 C ATOM 497 O CYS A 990 -12.050 4.706 -0.026 1.00 0.00 O ATOM 498 CB CYS A 990 -11.298 1.437 0.931 1.00 0.00 C ATOM 499 SG CYS A 990 -10.617 -0.187 0.468 1.00 0.00 S ATOM 0 H CYS A 990 -8.995 3.202 -0.294 1.00 0.00 H new ATOM 0 HA CYS A 990 -10.778 2.116 -1.040 1.00 0.00 H new ATOM 0 HB2 CYS A 990 -10.910 1.715 1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 990 -12.380 1.351 1.029 1.00 0.00 H new ATOM 504 N THR A 991 -13.342 2.919 -0.476 1.00 0.00 N ATOM 505 CA THR A 991 -14.563 3.696 -0.609 1.00 0.00 C ATOM 506 C THR A 991 -15.019 4.252 0.737 1.00 0.00 C ATOM 507 O THR A 991 -14.558 5.310 1.168 1.00 0.00 O ATOM 508 CB THR A 991 -15.690 2.847 -1.221 1.00 0.00 C ATOM 509 OG1 THR A 991 -15.643 1.516 -0.694 1.00 0.00 O ATOM 510 CG2 THR A 991 -15.578 2.806 -2.736 1.00 0.00 C ATOM 0 H THR A 991 -13.463 1.917 -0.622 1.00 0.00 H new ATOM 0 HA THR A 991 -14.342 4.531 -1.274 1.00 0.00 H new ATOM 0 HB THR A 991 -16.643 3.306 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 991 -16.409 1.372 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 991 -16.386 2.199 -3.144 1.00 0.00 H new ATOM 0 HG22 THR A 991 -15.648 3.819 -3.134 1.00 0.00 H new ATOM 0 HG23 THR A 991 -14.619 2.371 -3.018 1.00 0.00 H new ATOM 518 N THR A 992 -15.923 3.536 1.393 1.00 0.00 N ATOM 519 CA THR A 992 -16.459 3.971 2.675 1.00 0.00 C ATOM 520 C THR A 992 -16.587 2.800 3.646 1.00 0.00 C ATOM 521 O THR A 992 -15.816 2.684 4.598 1.00 0.00 O ATOM 522 CB THR A 992 -17.837 4.637 2.503 1.00 0.00 C ATOM 523 OG1 THR A 992 -17.723 5.787 1.656 1.00 0.00 O ATOM 524 CG2 THR A 992 -18.415 5.051 3.849 1.00 0.00 C ATOM 0 H THR A 992 -16.301 2.650 1.057 1.00 0.00 H new ATOM 0 HA THR A 992 -15.758 4.698 3.084 1.00 0.00 H new ATOM 0 HB THR A 992 -18.509 3.911 2.045 1.00 0.00 H new ATOM 0 HG1 THR A 992 -18.604 6.204 1.550 1.00 0.00 H new ATOM 0 HG21 THR A 992 -19.388 5.519 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 992 -18.529 4.171 4.482 1.00 0.00 H new ATOM 0 HG23 THR A 992 -17.742 5.760 4.331 1.00 0.00 H new ATOM 532 N GLY A 993 -17.572 1.938 3.401 1.00 0.00 N ATOM 533 CA GLY A 993 -17.810 0.813 4.286 1.00 0.00 C ATOM 534 C GLY A 993 -17.243 -0.484 3.744 1.00 0.00 C ATOM 535 O GLY A 993 -17.949 -1.490 3.662 1.00 0.00 O ATOM 0 H GLY A 993 -18.208 2.000 2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 993 -17.366 1.021 5.260 1.00 0.00 H new ATOM 0 HA3 GLY A 993 -18.883 0.699 4.443 1.00 0.00 H new ATOM 539 N HIS A 994 -15.967 -0.461 3.375 1.00 0.00 N ATOM 540 CA HIS A 994 -15.302 -1.644 2.841 1.00 0.00 C ATOM 541 C HIS A 994 -14.029 -1.950 3.622 1.00 0.00 C ATOM 542 O HIS A 994 -13.258 -1.047 3.949 1.00 0.00 O ATOM 543 CB HIS A 994 -14.973 -1.445 1.361 1.00 0.00 C ATOM 544 CG HIS A 994 -16.181 -1.268 0.494 1.00 0.00 C ATOM 545 ND1 HIS A 994 -17.154 -0.323 0.742 1.00 0.00 N ATOM 546 CD2 HIS A 994 -16.571 -1.922 -0.626 1.00 0.00 C ATOM 547 CE1 HIS A 994 -18.091 -0.404 -0.186 1.00 0.00 C ATOM 548 NE2 HIS A 994 -17.760 -1.365 -1.028 1.00 0.00 N ATOM 0 H HIS A 994 -15.372 0.365 3.436 1.00 0.00 H new ATOM 0 HA HIS A 994 -15.981 -2.490 2.943 1.00 0.00 H new ATOM 0 HB2 HIS A 994 -14.330 -0.571 1.255 1.00 0.00 H new ATOM 0 HB3 HIS A 994 -14.404 -2.304 1.006 1.00 0.00 H new ATOM 0 HD2 HIS A 994 -16.045 -2.730 -1.112 1.00 0.00 H new ATOM 0 HE1 HIS A 994 -18.977 0.211 -0.245 1.00 0.00 H new ATOM 0 HE2 HIS A 994 -18.300 -1.648 -1.845 1.00 0.00 H new ATOM 557 N ARG A 995 -13.816 -3.229 3.921 1.00 0.00 N ATOM 558 CA ARG A 995 -12.646 -3.653 4.682 1.00 0.00 C ATOM 559 C ARG A 995 -11.533 -4.120 3.749 1.00 0.00 C ATOM 560 O ARG A 995 -11.795 -4.722 2.708 1.00 0.00 O ATOM 561 CB ARG A 995 -13.024 -4.776 5.650 1.00 0.00 C ATOM 562 CG ARG A 995 -11.878 -5.225 6.544 1.00 0.00 C ATOM 563 CD ARG A 995 -11.418 -4.108 7.470 1.00 0.00 C ATOM 564 NE ARG A 995 -12.495 -3.641 8.341 1.00 0.00 N ATOM 565 CZ ARG A 995 -12.346 -2.679 9.245 1.00 0.00 C ATOM 566 NH1 ARG A 995 -11.171 -2.082 9.399 1.00 0.00 N ATOM 567 NH2 ARG A 995 -13.373 -2.312 9.999 1.00 0.00 N ATOM 0 H ARG A 995 -14.439 -3.989 3.648 1.00 0.00 H new ATOM 0 HA ARG A 995 -12.282 -2.799 5.253 1.00 0.00 H new ATOM 0 HB2 ARG A 995 -13.851 -4.441 6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 995 -13.383 -5.631 5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 995 -12.194 -6.083 7.137 1.00 0.00 H new ATOM 0 HG3 ARG A 995 -11.042 -5.554 5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 995 -10.586 -4.462 8.079 1.00 0.00 H new ATOM 0 HD3 ARG A 995 -11.045 -3.274 6.875 1.00 0.00 H new ATOM 0 HE ARG A 995 -13.412 -4.078 8.250 1.00 0.00 H new ATOM 0 HH11 ARG A 995 -10.378 -2.361 8.822 1.00 0.00 H new ATOM 0 HH12 ARG A 995 -11.061 -1.344 10.094 1.00 0.00 H new ATOM 0 HH21 ARG A 995 -14.278 -2.768 9.885 1.00 0.00 H new ATOM 0 HH22 ARG A 995 -13.258 -1.573 10.693 1.00 0.00 H new ATOM 581 N LEU A 996 -10.291 -3.836 4.129 1.00 0.00 N ATOM 582 CA LEU A 996 -9.139 -4.201 3.312 1.00 0.00 C ATOM 583 C LEU A 996 -8.638 -5.595 3.673 1.00 0.00 C ATOM 584 O LEU A 996 -8.361 -5.882 4.838 1.00 0.00 O ATOM 585 CB LEU A 996 -8.015 -3.175 3.492 1.00 0.00 C ATOM 586 CG LEU A 996 -6.868 -3.277 2.483 1.00 0.00 C ATOM 587 CD1 LEU A 996 -6.192 -1.927 2.312 1.00 0.00 C ATOM 588 CD2 LEU A 996 -5.856 -4.324 2.925 1.00 0.00 C ATOM 0 H LEU A 996 -10.057 -3.354 4.997 1.00 0.00 H new ATOM 0 HA LEU A 996 -9.450 -4.207 2.267 1.00 0.00 H new ATOM 0 HB2 LEU A 996 -8.445 -2.175 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 996 -7.604 -3.283 4.496 1.00 0.00 H new ATOM 0 HG LEU A 996 -7.282 -3.584 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 996 -5.379 -2.016 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 996 -6.919 -1.199 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 996 -5.793 -1.596 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 996 -5.049 -4.381 2.195 1.00 0.00 H new ATOM 0 HD22 LEU A 996 -5.447 -4.047 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 996 -6.346 -5.295 3.001 1.00 0.00 H new ATOM 600 N ILE A 997 -8.509 -6.452 2.665 1.00 0.00 N ATOM 601 CA ILE A 997 -7.942 -7.780 2.862 1.00 0.00 C ATOM 602 C ILE A 997 -6.431 -7.692 3.052 1.00 0.00 C ATOM 603 O ILE A 997 -5.662 -7.876 2.108 1.00 0.00 O ATOM 604 CB ILE A 997 -8.254 -8.718 1.674 1.00 0.00 C ATOM 605 CG1 ILE A 997 -9.766 -8.849 1.472 1.00 0.00 C ATOM 606 CG2 ILE A 997 -7.630 -10.088 1.898 1.00 0.00 C ATOM 607 CD1 ILE A 997 -10.392 -7.671 0.757 1.00 0.00 C ATOM 0 H ILE A 997 -8.789 -6.250 1.705 1.00 0.00 H new ATOM 0 HA ILE A 997 -8.402 -8.196 3.758 1.00 0.00 H new ATOM 0 HB ILE A 997 -7.822 -8.283 0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 997 -9.970 -9.757 0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 997 -10.244 -8.967 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 997 -7.860 -10.735 1.052 1.00 0.00 H new ATOM 0 HG22 ILE A 997 -6.549 -9.984 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 997 -8.034 -10.527 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 997 -11.464 -7.837 0.651 1.00 0.00 H new ATOM 0 HD12 ILE A 997 -10.221 -6.762 1.334 1.00 0.00 H new ATOM 0 HD13 ILE A 997 -9.942 -7.564 -0.230 1.00 0.00 H new ATOM 619 N GLY A 998 -6.015 -7.383 4.276 1.00 0.00 N ATOM 620 CA GLY A 998 -4.608 -7.151 4.545 1.00 0.00 C ATOM 621 C GLY A 998 -4.375 -6.522 5.902 1.00 0.00 C ATOM 622 O GLY A 998 -4.279 -7.221 6.912 1.00 0.00 O ATOM 0 H GLY A 998 -6.627 -7.289 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 998 -4.070 -8.097 4.489 1.00 0.00 H new ATOM 0 HA3 GLY A 998 -4.195 -6.503 3.772 1.00 0.00 H new ATOM 626 N HIS A 999 -4.281 -5.199 5.923 1.00 0.00 N ATOM 627 CA HIS A 999 -4.033 -4.469 7.160 1.00 0.00 C ATOM 628 C HIS A 999 -4.762 -3.128 7.160 1.00 0.00 C ATOM 629 O HIS A 999 -5.878 -3.020 7.670 1.00 0.00 O ATOM 630 CB HIS A 999 -2.530 -4.257 7.352 1.00 0.00 C ATOM 631 CG HIS A 999 -2.180 -3.477 8.580 1.00 0.00 C ATOM 632 ND1 HIS A 999 -1.879 -2.167 8.737 1.00 0.00 N flip ATOM 633 CD2 HIS A 999 -2.106 -4.039 9.837 1.00 0.00 C flip ATOM 634 CE1 HIS A 999 -1.631 -1.964 10.072 1.00 0.00 C flip ATOM 635 NE2 HIS A 999 -1.775 -3.108 10.714 1.00 0.00 N flip ATOM 0 H HIS A 999 -4.373 -4.608 5.096 1.00 0.00 H new ATOM 0 HA HIS A 999 -4.417 -5.062 7.990 1.00 0.00 H new ATOM 0 HB2 HIS A 999 -2.039 -5.229 7.399 1.00 0.00 H new ATOM 0 HB3 HIS A 999 -2.131 -3.740 6.479 1.00 0.00 H new ATOM 0 HD2 HIS A 999 -2.290 -5.078 10.068 1.00 0.00 H new ATOM 0 HE1 HIS A 999 -1.362 -1.021 10.524 1.00 0.00 H new ATOM 0 HE2 HIS A 999 -1.652 -3.249 11.717 1.00 0.00 H new ATOM 644 N SER A1000 -4.127 -2.110 6.583 1.00 0.00 N ATOM 645 CA SER A1000 -4.704 -0.768 6.535 1.00 0.00 C ATOM 646 C SER A1000 -3.769 0.200 5.818 1.00 0.00 C ATOM 647 O SER A1000 -4.217 1.098 5.104 1.00 0.00 O ATOM 648 CB SER A1000 -4.989 -0.258 7.950 1.00 0.00 C ATOM 649 OG SER A1000 -5.543 1.046 7.921 1.00 0.00 O ATOM 0 H SER A1000 -3.211 -2.189 6.141 1.00 0.00 H new ATOM 0 HA SER A1000 -5.640 -0.825 5.980 1.00 0.00 H new ATOM 0 HB2 SER A1000 -5.677 -0.938 8.453 1.00 0.00 H new ATOM 0 HB3 SER A1000 -4.066 -0.252 8.530 1.00 0.00 H new ATOM 0 HG SER A1000 -5.717 1.348 8.837 1.00 0.00 H new ATOM 655 N SER A1001 -2.469 0.017 6.021 1.00 0.00 N ATOM 656 CA SER A1001 -1.469 0.899 5.430 1.00 0.00 C ATOM 657 C SER A1001 -0.295 0.096 4.880 1.00 0.00 C ATOM 658 O SER A1001 -0.314 -1.134 4.886 1.00 0.00 O ATOM 659 CB SER A1001 -0.971 1.906 6.468 1.00 0.00 C ATOM 660 OG SER A1001 -0.382 1.248 7.577 1.00 0.00 O ATOM 0 H SER A1001 -2.082 -0.735 6.591 1.00 0.00 H new ATOM 0 HA SER A1001 -1.936 1.438 4.606 1.00 0.00 H new ATOM 0 HB2 SER A1001 -0.243 2.575 6.010 1.00 0.00 H new ATOM 0 HB3 SER A1001 -1.802 2.524 6.808 1.00 0.00 H new ATOM 0 HG SER A1001 -0.362 1.856 8.345 1.00 0.00 H new ATOM 666 N ALA A1002 0.723 0.801 4.396 1.00 0.00 N ATOM 667 CA ALA A1002 1.888 0.153 3.805 1.00 0.00 C ATOM 668 C ALA A1002 3.174 0.890 4.167 1.00 0.00 C ATOM 669 O ALA A1002 3.234 2.118 4.109 1.00 0.00 O ATOM 670 CB ALA A1002 1.735 0.070 2.295 1.00 0.00 C ATOM 0 H ALA A1002 0.764 1.820 4.402 1.00 0.00 H new ATOM 0 HA ALA A1002 1.954 -0.857 4.211 1.00 0.00 H new ATOM 0 HB1 ALA A1002 2.612 -0.416 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A1002 0.844 -0.508 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A1002 1.640 1.075 1.883 1.00 0.00 H new ATOM 676 N GLU A1003 4.203 0.130 4.527 1.00 0.00 N ATOM 677 CA GLU A1003 5.507 0.703 4.837 1.00 0.00 C ATOM 678 C GLU A1003 6.587 0.101 3.941 1.00 0.00 C ATOM 679 O GLU A1003 6.780 -1.115 3.918 1.00 0.00 O ATOM 680 CB GLU A1003 5.854 0.467 6.308 1.00 0.00 C ATOM 681 CG GLU A1003 7.185 1.073 6.726 1.00 0.00 C ATOM 682 CD GLU A1003 7.503 0.828 8.188 1.00 0.00 C ATOM 683 OE1 GLU A1003 8.138 -0.204 8.493 1.00 0.00 O ATOM 684 OE2 GLU A1003 7.118 1.669 9.029 1.00 0.00 O ATOM 0 H GLU A1003 4.159 -0.886 4.611 1.00 0.00 H new ATOM 0 HA GLU A1003 5.462 1.776 4.652 1.00 0.00 H new ATOM 0 HB2 GLU A1003 5.063 0.885 6.931 1.00 0.00 H new ATOM 0 HB3 GLU A1003 5.877 -0.606 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A1003 7.980 0.654 6.110 1.00 0.00 H new ATOM 0 HG3 GLU A1003 7.167 2.146 6.537 1.00 0.00 H new ATOM 691 N CYS A1004 7.276 0.957 3.194 1.00 0.00 N ATOM 692 CA CYS A1004 8.265 0.500 2.225 1.00 0.00 C ATOM 693 C CYS A1004 9.550 0.065 2.919 1.00 0.00 C ATOM 694 O CYS A1004 10.359 0.897 3.329 1.00 0.00 O ATOM 695 CB CYS A1004 8.567 1.605 1.211 1.00 0.00 C ATOM 696 SG CYS A1004 9.730 1.110 -0.101 1.00 0.00 S ATOM 0 H CYS A1004 7.168 1.970 3.241 1.00 0.00 H new ATOM 0 HA CYS A1004 7.849 -0.360 1.701 1.00 0.00 H new ATOM 0 HB2 CYS A1004 7.633 1.927 0.751 1.00 0.00 H new ATOM 0 HB3 CYS A1004 8.976 2.466 1.739 1.00 0.00 H new ATOM 701 N ILE A1005 9.734 -1.245 3.042 1.00 0.00 N ATOM 702 CA ILE A1005 10.938 -1.796 3.653 1.00 0.00 C ATOM 703 C ILE A1005 11.633 -2.778 2.715 1.00 0.00 C ATOM 704 O ILE A1005 10.979 -3.526 1.987 1.00 0.00 O ATOM 705 CB ILE A1005 10.620 -2.509 4.981 1.00 0.00 C ATOM 706 CG1 ILE A1005 9.609 -3.637 4.752 1.00 0.00 C ATOM 707 CG2 ILE A1005 10.090 -1.512 6.001 1.00 0.00 C ATOM 708 CD1 ILE A1005 9.358 -4.487 5.979 1.00 0.00 C ATOM 0 H ILE A1005 9.064 -1.946 2.726 1.00 0.00 H new ATOM 0 HA ILE A1005 11.603 -0.955 3.851 1.00 0.00 H new ATOM 0 HB ILE A1005 11.539 -2.946 5.372 1.00 0.00 H new ATOM 0 HG12 ILE A1005 8.665 -3.205 4.421 1.00 0.00 H new ATOM 0 HG13 ILE A1005 9.968 -4.276 3.945 1.00 0.00 H new ATOM 0 HG21 ILE A1005 9.869 -2.029 6.935 1.00 0.00 H new ATOM 0 HG22 ILE A1005 10.840 -0.742 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A1005 9.180 -1.049 5.619 1.00 0.00 H new ATOM 0 HD11 ILE A1005 8.632 -5.264 5.741 1.00 0.00 H new ATOM 0 HD12 ILE A1005 10.292 -4.949 6.299 1.00 0.00 H new ATOM 0 HD13 ILE A1005 8.969 -3.861 6.782 1.00 0.00 H new ATOM 720 N LEU A1006 12.963 -2.773 2.740 1.00 0.00 N ATOM 721 CA LEU A1006 13.749 -3.690 1.923 1.00 0.00 C ATOM 722 C LEU A1006 13.677 -5.110 2.477 1.00 0.00 C ATOM 723 O LEU A1006 14.384 -5.454 3.424 1.00 0.00 O ATOM 724 CB LEU A1006 15.205 -3.228 1.858 1.00 0.00 C ATOM 725 CG LEU A1006 15.441 -1.943 1.063 1.00 0.00 C ATOM 726 CD1 LEU A1006 16.823 -1.380 1.358 1.00 0.00 C ATOM 727 CD2 LEU A1006 15.270 -2.196 -0.426 1.00 0.00 C ATOM 0 H LEU A1006 13.519 -2.143 3.318 1.00 0.00 H new ATOM 0 HA LEU A1006 13.331 -3.691 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A1006 15.569 -3.080 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A1006 15.804 -4.025 1.417 1.00 0.00 H new ATOM 0 HG LEU A1006 14.699 -1.207 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A1006 16.974 -0.466 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A1006 16.906 -1.158 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A1006 17.581 -2.112 1.080 1.00 0.00 H new ATOM 0 HD21 LEU A1006 15.442 -1.270 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A1006 15.987 -2.949 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A1006 14.258 -2.551 -0.621 1.00 0.00 H new ATOM 739 N SER A1007 12.816 -5.928 1.879 1.00 0.00 N ATOM 740 CA SER A1007 12.644 -7.308 2.316 1.00 0.00 C ATOM 741 C SER A1007 13.558 -8.246 1.534 1.00 0.00 C ATOM 742 O SER A1007 13.249 -9.425 1.355 1.00 0.00 O ATOM 743 CB SER A1007 11.185 -7.739 2.144 1.00 0.00 C ATOM 744 OG SER A1007 10.318 -6.923 2.913 1.00 0.00 O ATOM 0 H SER A1007 12.227 -5.659 1.091 1.00 0.00 H new ATOM 0 HA SER A1007 12.913 -7.365 3.371 1.00 0.00 H new ATOM 0 HB2 SER A1007 10.907 -7.680 1.092 1.00 0.00 H new ATOM 0 HB3 SER A1007 11.072 -8.780 2.446 1.00 0.00 H new ATOM 0 HG SER A1007 9.392 -7.217 2.785 1.00 0.00 H new ATOM 750 N GLY A1008 14.685 -7.715 1.070 1.00 0.00 N ATOM 751 CA GLY A1008 15.629 -8.519 0.316 1.00 0.00 C ATOM 752 C GLY A1008 16.641 -7.674 -0.435 1.00 0.00 C ATOM 753 O GLY A1008 17.695 -7.334 0.103 1.00 0.00 O ATOM 0 H GLY A1008 14.961 -6.742 1.203 1.00 0.00 H new ATOM 0 HA2 GLY A1008 16.154 -9.190 0.996 1.00 0.00 H new ATOM 0 HA3 GLY A1008 15.085 -9.144 -0.392 1.00 0.00 H new ATOM 757 N ASN A1009 16.320 -7.338 -1.679 1.00 0.00 N ATOM 758 CA ASN A1009 17.210 -6.532 -2.508 1.00 0.00 C ATOM 759 C ASN A1009 16.423 -5.491 -3.299 1.00 0.00 C ATOM 760 O ASN A1009 16.963 -4.837 -4.191 1.00 0.00 O ATOM 761 CB ASN A1009 17.998 -7.427 -3.466 1.00 0.00 C ATOM 762 CG ASN A1009 17.096 -8.246 -4.368 1.00 0.00 C ATOM 763 OD1 ASN A1009 16.709 -9.364 -4.029 1.00 0.00 O ATOM 764 ND2 ASN A1009 16.758 -7.692 -5.526 1.00 0.00 N ATOM 0 H ASN A1009 15.450 -7.611 -2.136 1.00 0.00 H new ATOM 0 HA ASN A1009 17.907 -6.012 -1.850 1.00 0.00 H new ATOM 0 HB2 ASN A1009 18.655 -6.809 -4.078 1.00 0.00 H new ATOM 0 HB3 ASN A1009 18.636 -8.097 -2.890 1.00 0.00 H new ATOM 0 HD21 ASN A1009 16.154 -8.196 -6.175 1.00 0.00 H new ATOM 0 HD22 ASN A1009 17.102 -6.762 -5.766 1.00 0.00 H new ATOM 771 N THR A1010 15.145 -5.342 -2.963 1.00 0.00 N ATOM 772 CA THR A1010 14.287 -4.375 -3.635 1.00 0.00 C ATOM 773 C THR A1010 13.280 -3.770 -2.661 1.00 0.00 C ATOM 774 O THR A1010 12.715 -4.472 -1.823 1.00 0.00 O ATOM 775 CB THR A1010 13.527 -5.019 -4.810 1.00 0.00 C ATOM 776 OG1 THR A1010 14.453 -5.640 -5.711 1.00 0.00 O ATOM 777 CG2 THR A1010 12.707 -3.980 -5.561 1.00 0.00 C ATOM 0 H THR A1010 14.682 -5.879 -2.230 1.00 0.00 H new ATOM 0 HA THR A1010 14.935 -3.588 -4.022 1.00 0.00 H new ATOM 0 HB THR A1010 12.850 -5.771 -4.405 1.00 0.00 H new ATOM 0 HG1 THR A1010 13.962 -6.048 -6.454 1.00 0.00 H new ATOM 0 HG21 THR A1010 12.180 -4.459 -6.386 1.00 0.00 H new ATOM 0 HG22 THR A1010 11.984 -3.527 -4.882 1.00 0.00 H new ATOM 0 HG23 THR A1010 13.369 -3.208 -5.953 1.00 0.00 H new ATOM 785 N ALA A1011 13.064 -2.464 -2.776 1.00 0.00 N ATOM 786 CA ALA A1011 12.138 -1.760 -1.897 1.00 0.00 C ATOM 787 C ALA A1011 10.690 -2.108 -2.227 1.00 0.00 C ATOM 788 O ALA A1011 10.188 -1.769 -3.300 1.00 0.00 O ATOM 789 CB ALA A1011 12.357 -0.259 -1.994 1.00 0.00 C ATOM 0 H ALA A1011 13.518 -1.871 -3.470 1.00 0.00 H new ATOM 0 HA ALA A1011 12.335 -2.080 -0.874 1.00 0.00 H new ATOM 0 HB1 ALA A1011 11.659 0.254 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A1011 13.379 -0.021 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A1011 12.191 0.067 -3.021 1.00 0.00 H new ATOM 795 N HIS A1012 10.022 -2.774 -1.292 1.00 0.00 N ATOM 796 CA HIS A1012 8.608 -3.101 -1.443 1.00 0.00 C ATOM 797 C HIS A1012 7.827 -2.710 -0.193 1.00 0.00 C ATOM 798 O HIS A1012 8.410 -2.322 0.818 1.00 0.00 O ATOM 799 CB HIS A1012 8.432 -4.596 -1.718 1.00 0.00 C ATOM 800 CG HIS A1012 8.994 -5.036 -3.034 1.00 0.00 C ATOM 801 ND1 HIS A1012 8.247 -5.087 -4.192 1.00 0.00 N ATOM 802 CD2 HIS A1012 10.238 -5.451 -3.371 1.00 0.00 C ATOM 803 CE1 HIS A1012 9.008 -5.516 -5.184 1.00 0.00 C ATOM 804 NE2 HIS A1012 10.220 -5.743 -4.713 1.00 0.00 N ATOM 0 H HIS A1012 10.438 -3.099 -0.419 1.00 0.00 H new ATOM 0 HA HIS A1012 8.219 -2.536 -2.290 1.00 0.00 H new ATOM 0 HB2 HIS A1012 8.913 -5.162 -0.920 1.00 0.00 H new ATOM 0 HB3 HIS A1012 7.370 -4.840 -1.687 1.00 0.00 H new ATOM 0 HD1 HIS A1012 7.262 -4.834 -4.271 1.00 0.00 H new ATOM 0 HD2 HIS A1012 11.086 -5.536 -2.708 1.00 0.00 H new ATOM 0 HE1 HIS A1012 8.692 -5.657 -6.207 1.00 0.00 H new ATOM 813 N TRP A1013 6.504 -2.815 -0.272 1.00 0.00 N ATOM 814 CA TRP A1013 5.643 -2.468 0.852 1.00 0.00 C ATOM 815 C TRP A1013 5.341 -3.697 1.703 1.00 0.00 C ATOM 816 O TRP A1013 5.200 -4.806 1.185 1.00 0.00 O ATOM 817 CB TRP A1013 4.340 -1.844 0.347 1.00 0.00 C ATOM 818 CG TRP A1013 4.556 -0.607 -0.470 1.00 0.00 C ATOM 819 CD1 TRP A1013 4.593 -0.518 -1.832 1.00 0.00 C ATOM 820 CD2 TRP A1013 4.767 0.722 0.024 1.00 0.00 C ATOM 821 NE1 TRP A1013 4.811 0.783 -2.214 1.00 0.00 N ATOM 822 CE2 TRP A1013 4.920 1.564 -1.093 1.00 0.00 C ATOM 823 CE3 TRP A1013 4.839 1.281 1.303 1.00 0.00 C ATOM 824 CZ2 TRP A1013 5.142 2.932 -0.970 1.00 0.00 C ATOM 825 CZ3 TRP A1013 5.058 2.641 1.424 1.00 0.00 C ATOM 826 CH2 TRP A1013 5.207 3.452 0.293 1.00 0.00 C ATOM 0 H TRP A1013 6.006 -3.137 -1.102 1.00 0.00 H new ATOM 0 HA TRP A1013 6.167 -1.741 1.472 1.00 0.00 H new ATOM 0 HB2 TRP A1013 3.802 -2.578 -0.252 1.00 0.00 H new ATOM 0 HB3 TRP A1013 3.706 -1.602 1.200 1.00 0.00 H new ATOM 0 HD1 TRP A1013 4.469 -1.349 -2.510 1.00 0.00 H new ATOM 0 HE1 TRP A1013 4.881 1.114 -3.176 1.00 0.00 H new ATOM 0 HE3 TRP A1013 4.726 0.662 2.181 1.00 0.00 H new ATOM 0 HZ2 TRP A1013 5.259 3.560 -1.841 1.00 0.00 H new ATOM 0 HZ3 TRP A1013 5.115 3.085 2.407 1.00 0.00 H new ATOM 0 HH2 TRP A1013 5.377 4.511 0.421 1.00 0.00 H new ATOM 837 N SER A1014 5.273 -3.494 3.016 1.00 0.00 N ATOM 838 CA SER A1014 5.177 -4.600 3.963 1.00 0.00 C ATOM 839 C SER A1014 3.874 -5.372 3.788 1.00 0.00 C ATOM 840 O SER A1014 3.740 -6.496 4.272 1.00 0.00 O ATOM 841 CB SER A1014 5.279 -4.076 5.397 1.00 0.00 C ATOM 842 OG SER A1014 6.498 -3.381 5.601 1.00 0.00 O ATOM 0 H SER A1014 5.283 -2.570 3.449 1.00 0.00 H new ATOM 0 HA SER A1014 6.005 -5.281 3.764 1.00 0.00 H new ATOM 0 HB2 SER A1014 4.439 -3.413 5.606 1.00 0.00 H new ATOM 0 HB3 SER A1014 5.210 -4.908 6.097 1.00 0.00 H new ATOM 0 HG SER A1014 6.528 -2.594 5.017 1.00 0.00 H new ATOM 848 N THR A1015 2.911 -4.762 3.102 1.00 0.00 N ATOM 849 CA THR A1015 1.606 -5.384 2.904 1.00 0.00 C ATOM 850 C THR A1015 1.453 -5.909 1.480 1.00 0.00 C ATOM 851 O THR A1015 1.825 -5.240 0.516 1.00 0.00 O ATOM 852 CB THR A1015 0.461 -4.397 3.204 1.00 0.00 C ATOM 853 OG1 THR A1015 -0.804 -5.029 2.972 1.00 0.00 O ATOM 854 CG2 THR A1015 0.575 -3.152 2.338 1.00 0.00 C ATOM 0 H THR A1015 3.010 -3.841 2.675 1.00 0.00 H new ATOM 0 HA THR A1015 1.547 -6.220 3.602 1.00 0.00 H new ATOM 0 HB THR A1015 0.534 -4.100 4.250 1.00 0.00 H new ATOM 0 HG1 THR A1015 -1.526 -4.396 3.166 1.00 0.00 H new ATOM 0 HG21 THR A1015 -0.245 -2.472 2.569 1.00 0.00 H new ATOM 0 HG22 THR A1015 1.525 -2.656 2.537 1.00 0.00 H new ATOM 0 HG23 THR A1015 0.526 -3.435 1.286 1.00 0.00 H new ATOM 862 N LYS A1016 0.894 -7.110 1.359 1.00 0.00 N ATOM 863 CA LYS A1016 0.623 -7.704 0.053 1.00 0.00 C ATOM 864 C LYS A1016 -0.340 -6.830 -0.751 1.00 0.00 C ATOM 865 O LYS A1016 -1.002 -5.957 -0.188 1.00 0.00 O ATOM 866 CB LYS A1016 0.042 -9.114 0.220 1.00 0.00 C ATOM 867 CG LYS A1016 -1.376 -9.138 0.775 1.00 0.00 C ATOM 868 CD LYS A1016 -1.415 -8.774 2.252 1.00 0.00 C ATOM 869 CE LYS A1016 -0.696 -9.809 3.104 1.00 0.00 C ATOM 870 NZ LYS A1016 -1.311 -11.159 2.975 1.00 0.00 N ATOM 0 H LYS A1016 0.620 -7.692 2.151 1.00 0.00 H new ATOM 0 HA LYS A1016 1.564 -7.772 -0.493 1.00 0.00 H new ATOM 0 HB2 LYS A1016 0.051 -9.616 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS A1016 0.690 -9.687 0.883 1.00 0.00 H new ATOM 0 HG2 LYS A1016 -1.997 -8.441 0.213 1.00 0.00 H new ATOM 0 HG3 LYS A1016 -1.804 -10.131 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A1016 -0.954 -7.797 2.399 1.00 0.00 H new ATOM 0 HD3 LYS A1016 -2.451 -8.689 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A1016 0.352 -9.858 2.808 1.00 0.00 H new ATOM 0 HE3 LYS A1016 -0.718 -9.498 4.149 1.00 0.00 H new ATOM 0 HZ1 LYS A1016 -0.970 -11.771 3.744 1.00 0.00 H new ATOM 0 HZ2 LYS A1016 -2.346 -11.076 3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A1016 -1.047 -11.575 2.059 1.00 0.00 H new ATOM 884 N PRO A1017 -0.435 -7.055 -2.078 1.00 0.00 N ATOM 885 CA PRO A1017 -1.356 -6.312 -2.943 1.00 0.00 C ATOM 886 C PRO A1017 -2.719 -6.089 -2.290 1.00 0.00 C ATOM 887 O PRO A1017 -3.396 -7.043 -1.905 1.00 0.00 O ATOM 888 CB PRO A1017 -1.485 -7.223 -4.159 1.00 0.00 C ATOM 889 CG PRO A1017 -0.162 -7.904 -4.255 1.00 0.00 C ATOM 890 CD PRO A1017 0.344 -8.052 -2.841 1.00 0.00 C ATOM 0 HA PRO A1017 -0.992 -5.311 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO A1017 -2.294 -7.943 -4.032 1.00 0.00 H new ATOM 0 HB3 PRO A1017 -1.704 -6.652 -5.061 1.00 0.00 H new ATOM 0 HG2 PRO A1017 -0.260 -8.877 -4.736 1.00 0.00 H new ATOM 0 HG3 PRO A1017 0.533 -7.319 -4.857 1.00 0.00 H new ATOM 0 HD2 PRO A1017 0.181 -9.061 -2.462 1.00 0.00 H new ATOM 0 HD3 PRO A1017 1.414 -7.856 -2.777 1.00 0.00 H new ATOM 898 N PRO A1018 -3.125 -4.815 -2.129 1.00 0.00 N ATOM 899 CA PRO A1018 -4.323 -4.458 -1.365 1.00 0.00 C ATOM 900 C PRO A1018 -5.614 -4.752 -2.123 1.00 0.00 C ATOM 901 O PRO A1018 -5.694 -4.552 -3.336 1.00 0.00 O ATOM 902 CB PRO A1018 -4.164 -2.953 -1.152 1.00 0.00 C ATOM 903 CG PRO A1018 -3.369 -2.495 -2.325 1.00 0.00 C ATOM 904 CD PRO A1018 -2.431 -3.624 -2.658 1.00 0.00 C ATOM 0 HA PRO A1018 -4.402 -5.033 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A1018 -5.132 -2.453 -1.108 1.00 0.00 H new ATOM 0 HB3 PRO A1018 -3.651 -2.736 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A1018 -4.018 -2.265 -3.170 1.00 0.00 H new ATOM 0 HG3 PRO A1018 -2.816 -1.585 -2.090 1.00 0.00 H new ATOM 0 HD2 PRO A1018 -2.262 -3.702 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A1018 -1.456 -3.487 -2.191 1.00 0.00 H new ATOM 912 N ILE A1019 -6.628 -5.204 -1.394 1.00 0.00 N ATOM 913 CA ILE A1019 -7.959 -5.387 -1.958 1.00 0.00 C ATOM 914 C ILE A1019 -9.002 -4.660 -1.114 1.00 0.00 C ATOM 915 O ILE A1019 -8.736 -4.288 0.029 1.00 0.00 O ATOM 916 CB ILE A1019 -8.333 -6.881 -2.049 1.00 0.00 C ATOM 917 CG1 ILE A1019 -7.145 -7.697 -2.565 1.00 0.00 C ATOM 918 CG2 ILE A1019 -9.543 -7.071 -2.953 1.00 0.00 C ATOM 919 CD1 ILE A1019 -7.387 -9.190 -2.571 1.00 0.00 C ATOM 0 H ILE A1019 -6.552 -5.451 -0.407 1.00 0.00 H new ATOM 0 HA ILE A1019 -7.945 -4.969 -2.964 1.00 0.00 H new ATOM 0 HB ILE A1019 -8.589 -7.236 -1.051 1.00 0.00 H new ATOM 0 HG12 ILE A1019 -6.906 -7.373 -3.578 1.00 0.00 H new ATOM 0 HG13 ILE A1019 -6.273 -7.482 -1.948 1.00 0.00 H new ATOM 0 HG21 ILE A1019 -9.794 -8.130 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A1019 -10.390 -6.517 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A1019 -9.312 -6.702 -3.952 1.00 0.00 H new ATOM 0 HD11 ILE A1019 -6.501 -9.701 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A1019 -7.596 -9.529 -1.556 1.00 0.00 H new ATOM 0 HD13 ILE A1019 -8.239 -9.418 -3.212 1.00 0.00 H new ATOM 931 N CYS A1020 -10.182 -4.450 -1.685 1.00 0.00 N ATOM 932 CA CYS A1020 -11.237 -3.710 -1.001 1.00 0.00 C ATOM 933 C CYS A1020 -12.574 -4.436 -1.120 1.00 0.00 C ATOM 934 O CYS A1020 -13.242 -4.360 -2.150 1.00 0.00 O ATOM 935 CB CYS A1020 -11.353 -2.298 -1.579 1.00 0.00 C ATOM 936 SG CYS A1020 -12.166 -1.105 -0.470 1.00 0.00 S ATOM 0 H CYS A1020 -10.433 -4.780 -2.617 1.00 0.00 H new ATOM 0 HA CYS A1020 -10.976 -3.641 0.055 1.00 0.00 H new ATOM 0 HB2 CYS A1020 -10.355 -1.932 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS A1020 -11.909 -2.345 -2.515 1.00 0.00 H new ATOM 941 N GLN A1021 -12.950 -5.150 -0.063 1.00 0.00 N ATOM 942 CA GLN A1021 -14.173 -5.945 -0.072 1.00 0.00 C ATOM 943 C GLN A1021 -15.233 -5.328 0.837 1.00 0.00 C ATOM 944 O GLN A1021 -14.944 -4.934 1.966 1.00 0.00 O ATOM 945 CB GLN A1021 -13.875 -7.378 0.376 1.00 0.00 C ATOM 946 CG GLN A1021 -15.099 -8.280 0.389 1.00 0.00 C ATOM 947 CD GLN A1021 -14.786 -9.681 0.877 1.00 0.00 C ATOM 948 OE1 GLN A1021 -14.859 -9.965 2.072 1.00 0.00 O ATOM 949 NE2 GLN A1021 -14.435 -10.566 -0.050 1.00 0.00 N ATOM 0 H GLN A1021 -12.425 -5.194 0.810 1.00 0.00 H new ATOM 0 HA GLN A1021 -14.559 -5.960 -1.091 1.00 0.00 H new ATOM 0 HB2 GLN A1021 -13.124 -7.808 -0.287 1.00 0.00 H new ATOM 0 HB3 GLN A1021 -13.441 -7.354 1.376 1.00 0.00 H new ATOM 0 HG2 GLN A1021 -15.864 -7.839 1.028 1.00 0.00 H new ATOM 0 HG3 GLN A1021 -15.516 -8.334 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A1021 -14.388 -10.287 -1.030 1.00 0.00 H new ATOM 0 HE22 GLN A1021 -14.213 -11.525 0.218 1.00 0.00 H new ATOM 958 N ARG A1022 -16.462 -5.258 0.336 1.00 0.00 N ATOM 959 CA ARG A1022 -17.577 -4.727 1.113 1.00 0.00 C ATOM 960 C ARG A1022 -17.844 -5.591 2.341 1.00 0.00 C ATOM 961 O ARG A1022 -17.721 -6.815 2.292 1.00 0.00 O ATOM 962 CB ARG A1022 -18.841 -4.642 0.249 1.00 0.00 C ATOM 963 CG ARG A1022 -19.431 -5.996 -0.125 1.00 0.00 C ATOM 964 CD ARG A1022 -18.590 -6.709 -1.172 1.00 0.00 C ATOM 965 NE ARG A1022 -19.146 -8.013 -1.526 1.00 0.00 N ATOM 966 CZ ARG A1022 -18.595 -8.833 -2.416 1.00 0.00 C ATOM 967 NH1 ARG A1022 -17.478 -8.485 -3.042 1.00 0.00 N ATOM 968 NH2 ARG A1022 -19.161 -10.001 -2.682 1.00 0.00 N ATOM 0 H ARG A1022 -16.711 -5.562 -0.605 1.00 0.00 H new ATOM 0 HA ARG A1022 -17.308 -3.725 1.446 1.00 0.00 H new ATOM 0 HB2 ARG A1022 -19.595 -4.064 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A1022 -18.608 -4.095 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A1022 -19.506 -6.619 0.767 1.00 0.00 H new ATOM 0 HG3 ARG A1022 -20.444 -5.859 -0.504 1.00 0.00 H new ATOM 0 HD2 ARG A1022 -18.522 -6.089 -2.066 1.00 0.00 H new ATOM 0 HD3 ARG A1022 -17.575 -6.838 -0.796 1.00 0.00 H new ATOM 0 HE ARG A1022 -20.005 -8.311 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A1022 -17.040 -7.586 -2.841 1.00 0.00 H new ATOM 0 HH12 ARG A1022 -17.058 -9.116 -3.724 1.00 0.00 H new ATOM 0 HH21 ARG A1022 -20.020 -10.272 -2.204 1.00 0.00 H new ATOM 0 HH22 ARG A1022 -18.737 -10.629 -3.365 1.00 0.00 H new ATOM 982 N ILE A1023 -18.207 -4.943 3.444 1.00 0.00 N ATOM 983 CA ILE A1023 -18.469 -5.644 4.696 1.00 0.00 C ATOM 984 C ILE A1023 -19.912 -6.153 4.764 1.00 0.00 C ATOM 985 O ILE A1023 -20.142 -7.324 5.060 1.00 0.00 O ATOM 986 CB ILE A1023 -18.188 -4.745 5.918 1.00 0.00 C ATOM 987 CG1 ILE A1023 -16.751 -4.218 5.869 1.00 0.00 C ATOM 988 CG2 ILE A1023 -18.434 -5.513 7.209 1.00 0.00 C ATOM 989 CD1 ILE A1023 -16.428 -3.229 6.969 1.00 0.00 C ATOM 0 H ILE A1023 -18.326 -3.931 3.496 1.00 0.00 H new ATOM 0 HA ILE A1023 -17.791 -6.497 4.722 1.00 0.00 H new ATOM 0 HB ILE A1023 -18.869 -3.894 5.890 1.00 0.00 H new ATOM 0 HG12 ILE A1023 -16.062 -5.060 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A1023 -16.580 -3.742 4.903 1.00 0.00 H new ATOM 0 HG21 ILE A1023 -18.231 -4.865 8.062 1.00 0.00 H new ATOM 0 HG22 ILE A1023 -19.472 -5.844 7.243 1.00 0.00 H new ATOM 0 HG23 ILE A1023 -17.775 -6.380 7.248 1.00 0.00 H new ATOM 0 HD11 ILE A1023 -15.394 -2.900 6.870 1.00 0.00 H new ATOM 0 HD12 ILE A1023 -17.092 -2.368 6.891 1.00 0.00 H new ATOM 0 HD13 ILE A1023 -16.565 -3.706 7.939 1.00 0.00 H new ATOM 1001 N PRO A1024 -20.910 -5.282 4.493 1.00 0.00 N ATOM 1002 CA PRO A1024 -22.322 -5.677 4.525 1.00 0.00 C ATOM 1003 C PRO A1024 -22.681 -6.637 3.396 1.00 0.00 C ATOM 1004 O PRO A1024 -22.584 -7.863 3.609 1.00 0.00 O ATOM 1005 CB PRO A1024 -23.071 -4.353 4.361 1.00 0.00 C ATOM 1006 CG PRO A1024 -22.113 -3.461 3.653 1.00 0.00 C ATOM 1007 CD PRO A1024 -20.746 -3.858 4.138 1.00 0.00 C ATOM 1008 OXT PRO A1024 -23.055 -6.155 2.305 1.00 0.00 O ATOM 0 HA PRO A1024 -22.573 -6.210 5.442 1.00 0.00 H new ATOM 0 HB2 PRO A1024 -23.988 -4.485 3.786 1.00 0.00 H new ATOM 0 HB3 PRO A1024 -23.358 -3.938 5.327 1.00 0.00 H new ATOM 0 HG2 PRO A1024 -22.194 -3.580 2.573 1.00 0.00 H new ATOM 0 HG3 PRO A1024 -22.317 -2.414 3.875 1.00 0.00 H new ATOM 0 HD2 PRO A1024 -19.990 -3.721 3.365 1.00 0.00 H new ATOM 0 HD3 PRO A1024 -20.436 -3.263 4.997 1.00 0.00 H new TER 1016 PRO A1024