USER MOD reduce.3.24.130724 H: found=0, std=0, add=877, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 879 hydrogens (32 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC H2D : A 104 HEC O2D : A 104 HEC CGD :(short bond) USER MOD NoAdj-H: A 104 HEC H2A : A 104 HEC O2A : A 104 HEC CGA :(short bond) USER MOD Set 1.1: A 67 TYR OH : rot 15:sc= -0.7 USER MOD Set 1.2: A 80 MET CE :methyl 179:sc= -0.783 (180deg=-0.736) USER MOD Set 2.1: A 40 SER OG : rot 164:sc= -0.995! USER MOD Set 2.2: A 52 ASN : amide:sc= -5.67! C(o=-6.7!,f=-14!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -7.24! K(o=-13!,f=-4.1) USER MOD Set 3.2: A 56 ASN : amide:sc= -5.76! K(o=-13!,f=-4.1) USER MOD Set 4.1: A 2 SER OG : rot -150:sc= 0.0612 USER MOD Set 4.2: A 5 LYS NZ :NH3+ -176:sc= 0.0581 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -77:sc= 0.662 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 THR N :NH3+ -124:sc= 0.55 (180deg=0.00956) USER MOD Single : A -5 THR OG1 : rot 180:sc= 0.208 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -106:sc= 0.657 USER MOD Single : A 16 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.82) USER MOD Single : A 19 THR OG1 : rot 100:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.651 K(o=-0.65,f=-5.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -5.16! C(o=-5.2!,f=-9.8!) USER MOD Single : A 33 HIS : no HD1:sc= -8.14! C(o=-8.1!,f=-9.3!) USER MOD Single : A 42 GLN : amide:sc= -9.22! C(o=-9.2!,f=-6.8!) USER MOD Single : A 46 TYR OH : rot 175:sc= -0.468 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 THR OG1 : rot 160:sc= -0.403 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00717 K(o=-0.0072,f=-1.7!) USER MOD Single : A 63 ASN : amide:sc= -2.3! C(o=-2.3!,f=-3.2!) USER MOD Single : A 64 MET CE :methyl -167:sc= -1.25 (180deg=-2.65) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -28:sc= 0.342 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.712 K(o=-0.71,f=-0.16) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -154:sc= -0.311! USER MOD Single : A 78 THR OG1 : rot -157:sc= -2.12 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 155:sc= -0.0968 (180deg=-0.765) USER MOD Single : A 92 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.29) USER MOD Single : A 96 THR OG1 : rot 85:sc= -0.612 USER MOD Single : A 97 TYR OH : rot 165:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -159:sc= 0.81 (180deg=-0.284!) USER MOD Single : A 100 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.256) USER MOD Single : A 102 THR OG1 : rot 133:sc= 0.437 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 14.868 -8.138 -7.208 1.00 0.00 N ATOM 2 CA THR A -5 14.167 -6.829 -7.334 1.00 0.00 C ATOM 3 C THR A -5 14.555 -5.927 -6.160 1.00 0.00 C ATOM 4 O THR A -5 15.030 -6.389 -5.141 1.00 0.00 O ATOM 5 CB THR A -5 12.654 -7.056 -7.323 1.00 0.00 C ATOM 6 OG1 THR A -5 12.376 -8.366 -6.847 1.00 0.00 O ATOM 7 CG2 THR A -5 12.101 -6.898 -8.740 1.00 0.00 C ATOM 0 H1 THR A -5 15.417 -8.323 -8.072 1.00 0.00 H new ATOM 0 H2 THR A -5 15.509 -8.111 -6.390 1.00 0.00 H new ATOM 0 H3 THR A -5 14.168 -8.895 -7.074 1.00 0.00 H new ATOM 0 HA THR A -5 14.456 -6.352 -8.271 1.00 0.00 H new ATOM 0 HB THR A -5 12.182 -6.323 -6.668 1.00 0.00 H new ATOM 0 HG1 THR A -5 11.407 -8.512 -6.838 1.00 0.00 H new ATOM 0 HG21 THR A -5 11.023 -7.060 -8.730 1.00 0.00 H new ATOM 0 HG22 THR A -5 12.313 -5.893 -9.103 1.00 0.00 H new ATOM 0 HG23 THR A -5 12.572 -7.629 -9.398 1.00 0.00 H new ATOM 17 N GLU A -4 14.356 -4.646 -6.294 1.00 0.00 N ATOM 18 CA GLU A -4 14.712 -3.715 -5.186 1.00 0.00 C ATOM 19 C GLU A -4 13.945 -4.108 -3.922 1.00 0.00 C ATOM 20 O GLU A -4 14.421 -3.939 -2.817 1.00 0.00 O ATOM 21 CB GLU A -4 14.344 -2.283 -5.582 1.00 0.00 C ATOM 22 CG GLU A -4 14.829 -1.313 -4.503 1.00 0.00 C ATOM 23 CD GLU A -4 16.358 -1.266 -4.508 1.00 0.00 C ATOM 24 OE1 GLU A -4 16.936 -1.560 -5.541 1.00 0.00 O ATOM 25 OE2 GLU A -4 16.925 -0.938 -3.478 1.00 0.00 O ATOM 0 H GLU A -4 13.962 -4.202 -7.124 1.00 0.00 H new ATOM 0 HA GLU A -4 15.783 -3.774 -4.994 1.00 0.00 H new ATOM 0 HB2 GLU A -4 14.797 -2.032 -6.541 1.00 0.00 H new ATOM 0 HB3 GLU A -4 13.265 -2.195 -5.706 1.00 0.00 H new ATOM 0 HG2 GLU A -4 14.424 -0.318 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A -4 14.468 -1.630 -3.525 1.00 0.00 H new ATOM 32 N PHE A -3 12.759 -4.630 -4.075 1.00 0.00 N ATOM 33 CA PHE A -3 11.962 -5.031 -2.882 1.00 0.00 C ATOM 34 C PHE A -3 12.133 -6.530 -2.629 1.00 0.00 C ATOM 35 O PHE A -3 11.899 -7.348 -3.497 1.00 0.00 O ATOM 36 CB PHE A -3 10.484 -4.712 -3.136 1.00 0.00 C ATOM 37 CG PHE A -3 9.607 -5.595 -2.276 1.00 0.00 C ATOM 38 CD1 PHE A -3 9.975 -5.888 -0.957 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.422 -6.120 -2.804 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.157 -6.707 -0.169 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.605 -6.938 -2.015 1.00 0.00 C ATOM 42 CZ PHE A -3 7.973 -7.232 -0.697 1.00 0.00 C ATOM 0 H PHE A -3 12.308 -4.796 -4.975 1.00 0.00 H new ATOM 0 HA PHE A -3 12.309 -4.482 -2.007 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.287 -3.663 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.246 -4.865 -4.189 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.889 -5.483 -0.548 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.138 -5.894 -3.821 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.441 -6.934 0.848 1.00 0.00 H new ATOM 0 HE2 PHE A -3 6.691 -7.342 -2.423 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.343 -7.864 -0.088 1.00 0.00 H new ATOM 52 N LYS A -2 12.538 -6.894 -1.441 1.00 0.00 N ATOM 53 CA LYS A -2 12.727 -8.335 -1.119 1.00 0.00 C ATOM 54 C LYS A -2 11.608 -8.793 -0.181 1.00 0.00 C ATOM 55 O LYS A -2 11.357 -8.187 0.840 1.00 0.00 O ATOM 56 CB LYS A -2 14.081 -8.529 -0.431 1.00 0.00 C ATOM 57 CG LYS A -2 14.368 -10.024 -0.278 1.00 0.00 C ATOM 58 CD LYS A -2 15.691 -10.214 0.470 1.00 0.00 C ATOM 59 CE LYS A -2 16.042 -11.702 0.523 1.00 0.00 C ATOM 60 NZ LYS A -2 15.503 -12.294 1.781 1.00 0.00 N ATOM 0 H LYS A -2 12.746 -6.250 -0.678 1.00 0.00 H new ATOM 0 HA LYS A -2 12.699 -8.923 -2.036 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.869 -8.055 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.076 -8.047 0.547 1.00 0.00 H new ATOM 0 HG2 LYS A -2 13.557 -10.507 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A -2 14.420 -10.498 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.486 -9.660 -0.030 1.00 0.00 H new ATOM 0 HD3 LYS A -2 15.610 -9.813 1.480 1.00 0.00 H new ATOM 0 HE2 LYS A -2 15.624 -12.216 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A -2 17.123 -11.834 0.480 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 15.741 -13.306 1.818 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 15.922 -11.809 2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 14.469 -12.180 1.803 1.00 0.00 H new ATOM 74 N ALA A -1 10.935 -9.859 -0.519 1.00 0.00 N ATOM 75 CA ALA A -1 9.833 -10.349 0.354 1.00 0.00 C ATOM 76 C ALA A -1 10.414 -10.920 1.649 1.00 0.00 C ATOM 77 O ALA A -1 10.885 -12.039 1.689 1.00 0.00 O ATOM 78 CB ALA A -1 9.051 -11.442 -0.377 1.00 0.00 C ATOM 0 H ALA A -1 11.101 -10.410 -1.361 1.00 0.00 H new ATOM 0 HA ALA A -1 9.167 -9.519 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.244 -11.801 0.262 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.632 -11.036 -1.297 1.00 0.00 H new ATOM 0 HB3 ALA A -1 9.719 -12.269 -0.617 1.00 0.00 H new ATOM 84 N GLY A 1 10.379 -10.162 2.711 1.00 0.00 N ATOM 85 CA GLY A 1 10.922 -10.665 4.004 1.00 0.00 C ATOM 86 C GLY A 1 9.866 -11.535 4.687 1.00 0.00 C ATOM 87 O GLY A 1 9.489 -12.573 4.183 1.00 0.00 O ATOM 0 H GLY A 1 9.998 -9.216 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.830 -11.243 3.831 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.194 -9.829 4.648 1.00 0.00 H new ATOM 91 N SER A 2 9.380 -11.114 5.826 1.00 0.00 N ATOM 92 CA SER A 2 8.340 -11.914 6.537 1.00 0.00 C ATOM 93 C SER A 2 7.076 -11.067 6.695 1.00 0.00 C ATOM 94 O SER A 2 7.137 -9.894 7.002 1.00 0.00 O ATOM 95 CB SER A 2 8.862 -12.314 7.918 1.00 0.00 C ATOM 96 OG SER A 2 10.059 -13.066 7.767 1.00 0.00 O ATOM 0 H SER A 2 9.658 -10.251 6.294 1.00 0.00 H new ATOM 0 HA SER A 2 8.110 -12.812 5.963 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.051 -11.425 8.520 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.113 -12.903 8.446 1.00 0.00 H new ATOM 0 HG SER A 2 10.142 -13.701 8.509 1.00 0.00 H new ATOM 102 N ALA A 3 5.929 -11.655 6.489 1.00 0.00 N ATOM 103 CA ALA A 3 4.661 -10.885 6.627 1.00 0.00 C ATOM 104 C ALA A 3 4.409 -10.566 8.102 1.00 0.00 C ATOM 105 O ALA A 3 3.866 -9.533 8.441 1.00 0.00 O ATOM 106 CB ALA A 3 3.498 -11.714 6.079 1.00 0.00 C ATOM 0 H ALA A 3 5.816 -12.635 6.231 1.00 0.00 H new ATOM 0 HA ALA A 3 4.742 -9.954 6.065 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.570 -11.151 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.674 -11.937 5.027 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.420 -12.646 6.639 1.00 0.00 H new ATOM 112 N LYS A 4 4.788 -11.451 8.981 1.00 0.00 N ATOM 113 CA LYS A 4 4.561 -11.210 10.432 1.00 0.00 C ATOM 114 C LYS A 4 5.282 -9.935 10.854 1.00 0.00 C ATOM 115 O LYS A 4 4.724 -9.073 11.503 1.00 0.00 O ATOM 116 CB LYS A 4 5.136 -12.383 11.220 1.00 0.00 C ATOM 117 CG LYS A 4 4.538 -13.681 10.690 1.00 0.00 C ATOM 118 CD LYS A 4 4.912 -14.839 11.618 1.00 0.00 C ATOM 119 CE LYS A 4 6.430 -15.029 11.612 1.00 0.00 C ATOM 120 NZ LYS A 4 6.756 -16.441 11.961 1.00 0.00 N ATOM 0 H LYS A 4 5.247 -12.334 8.756 1.00 0.00 H new ATOM 0 HA LYS A 4 3.493 -11.109 10.625 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.222 -12.403 11.126 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.910 -12.270 12.280 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.454 -13.592 10.623 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.905 -13.877 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.565 -14.634 12.631 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.419 -15.755 11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.834 -14.783 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.895 -14.350 12.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.788 -16.570 11.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.383 -16.660 12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.324 -17.080 11.263 1.00 0.00 H new ATOM 134 N LYS A 5 6.523 -9.817 10.489 1.00 0.00 N ATOM 135 CA LYS A 5 7.299 -8.605 10.866 1.00 0.00 C ATOM 136 C LYS A 5 6.647 -7.362 10.255 1.00 0.00 C ATOM 137 O LYS A 5 6.500 -6.344 10.900 1.00 0.00 O ATOM 138 CB LYS A 5 8.729 -8.742 10.342 1.00 0.00 C ATOM 139 CG LYS A 5 9.421 -9.911 11.048 1.00 0.00 C ATOM 140 CD LYS A 5 10.888 -9.972 10.618 1.00 0.00 C ATOM 141 CE LYS A 5 11.549 -11.206 11.235 1.00 0.00 C ATOM 142 NZ LYS A 5 12.097 -12.070 10.152 1.00 0.00 N ATOM 0 H LYS A 5 7.037 -10.509 9.944 1.00 0.00 H new ATOM 0 HA LYS A 5 7.312 -8.504 11.951 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.719 -8.908 9.265 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.282 -7.819 10.517 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.353 -9.788 12.129 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.920 -10.847 10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.958 -10.014 9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.409 -9.069 10.937 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.347 -10.903 11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.823 -11.763 11.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.486 -12.941 10.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.338 -12.313 9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.850 -11.560 9.648 1.00 0.00 H new ATOM 156 N GLY A 6 6.249 -7.440 9.014 1.00 0.00 N ATOM 157 CA GLY A 6 5.602 -6.265 8.364 1.00 0.00 C ATOM 158 C GLY A 6 4.278 -5.959 9.062 1.00 0.00 C ATOM 159 O GLY A 6 3.873 -4.819 9.177 1.00 0.00 O ATOM 0 H GLY A 6 6.344 -8.266 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.261 -5.399 8.417 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.429 -6.470 7.308 1.00 0.00 H new ATOM 163 N ALA A 7 3.594 -6.970 9.524 1.00 0.00 N ATOM 164 CA ALA A 7 2.291 -6.738 10.209 1.00 0.00 C ATOM 165 C ALA A 7 2.503 -5.839 11.426 1.00 0.00 C ATOM 166 O ALA A 7 1.697 -4.981 11.723 1.00 0.00 O ATOM 167 CB ALA A 7 1.706 -8.078 10.660 1.00 0.00 C ATOM 0 H ALA A 7 3.881 -7.946 9.457 1.00 0.00 H new ATOM 0 HA ALA A 7 1.601 -6.253 9.518 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.753 -7.909 11.161 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.551 -8.718 9.791 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.397 -8.563 11.349 1.00 0.00 H new ATOM 173 N THR A 8 3.584 -6.023 12.132 1.00 0.00 N ATOM 174 CA THR A 8 3.842 -5.171 13.323 1.00 0.00 C ATOM 175 C THR A 8 3.985 -3.720 12.876 1.00 0.00 C ATOM 176 O THR A 8 3.396 -2.818 13.438 1.00 0.00 O ATOM 177 CB THR A 8 5.143 -5.622 13.983 1.00 0.00 C ATOM 178 OG1 THR A 8 6.233 -5.323 13.123 1.00 0.00 O ATOM 179 CG2 THR A 8 5.092 -7.128 14.238 1.00 0.00 C ATOM 0 H THR A 8 4.297 -6.725 11.935 1.00 0.00 H new ATOM 0 HA THR A 8 3.017 -5.260 14.030 1.00 0.00 H new ATOM 0 HB THR A 8 5.271 -5.100 14.931 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.273 -5.987 12.403 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.021 -7.449 14.709 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.254 -7.357 14.896 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.965 -7.653 13.291 1.00 0.00 H new ATOM 187 N LEU A 9 4.761 -3.497 11.858 1.00 0.00 N ATOM 188 CA LEU A 9 4.953 -2.112 11.347 1.00 0.00 C ATOM 189 C LEU A 9 3.617 -1.584 10.827 1.00 0.00 C ATOM 190 O LEU A 9 3.245 -0.450 11.054 1.00 0.00 O ATOM 191 CB LEU A 9 5.949 -2.143 10.196 1.00 0.00 C ATOM 192 CG LEU A 9 6.429 -0.721 9.904 1.00 0.00 C ATOM 193 CD1 LEU A 9 7.359 -0.244 11.023 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.187 -0.710 8.582 1.00 0.00 C ATOM 0 H LEU A 9 5.275 -4.218 11.353 1.00 0.00 H new ATOM 0 HA LEU A 9 5.324 -1.470 12.146 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.796 -2.780 10.450 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.483 -2.571 9.308 1.00 0.00 H new ATOM 0 HG LEU A 9 5.568 -0.055 9.845 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.697 0.770 10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.822 -0.254 11.971 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.221 -0.908 11.087 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.532 0.302 8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.045 -1.379 8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.527 -1.045 7.782 1.00 0.00 H new ATOM 206 N PHE A 10 2.902 -2.410 10.118 1.00 0.00 N ATOM 207 CA PHE A 10 1.586 -1.991 9.556 1.00 0.00 C ATOM 208 C PHE A 10 0.585 -1.735 10.685 1.00 0.00 C ATOM 209 O PHE A 10 0.003 -0.672 10.788 1.00 0.00 O ATOM 210 CB PHE A 10 1.060 -3.121 8.666 1.00 0.00 C ATOM 211 CG PHE A 10 -0.218 -2.700 7.982 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.449 -2.890 8.622 1.00 0.00 C ATOM 213 CD2 PHE A 10 -0.173 -2.129 6.705 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.635 -2.508 7.985 1.00 0.00 C ATOM 215 CE2 PHE A 10 -1.360 -1.749 6.068 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.591 -1.939 6.708 1.00 0.00 C ATOM 0 H PHE A 10 3.175 -3.368 9.901 1.00 0.00 H new ATOM 0 HA PHE A 10 1.710 -1.073 8.981 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.810 -3.384 7.920 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.882 -4.013 9.267 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.483 -3.331 9.607 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.776 -1.982 6.212 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.584 -2.653 8.479 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.326 -1.309 5.082 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.506 -1.646 6.216 1.00 0.00 H new ATOM 226 N LYS A 11 0.373 -2.708 11.528 1.00 0.00 N ATOM 227 CA LYS A 11 -0.592 -2.536 12.645 1.00 0.00 C ATOM 228 C LYS A 11 -0.151 -1.379 13.538 1.00 0.00 C ATOM 229 O LYS A 11 -0.962 -0.669 14.099 1.00 0.00 O ATOM 230 CB LYS A 11 -0.651 -3.827 13.463 1.00 0.00 C ATOM 231 CG LYS A 11 -1.243 -4.948 12.606 1.00 0.00 C ATOM 232 CD LYS A 11 -1.395 -6.213 13.451 1.00 0.00 C ATOM 233 CE LYS A 11 -1.875 -7.363 12.564 1.00 0.00 C ATOM 234 NZ LYS A 11 -2.514 -8.411 13.409 1.00 0.00 N ATOM 0 H LYS A 11 0.830 -3.619 11.489 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.580 -2.314 12.241 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.348 -4.102 13.801 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.259 -3.677 14.355 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.212 -4.644 12.210 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.597 -5.145 11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.443 -6.470 13.915 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.107 -6.041 14.258 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.586 -6.994 11.825 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.035 -7.787 12.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.840 -9.193 12.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.823 -8.771 14.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.326 -8.002 13.914 1.00 0.00 H new ATOM 248 N THR A 12 1.127 -1.187 13.684 1.00 0.00 N ATOM 249 CA THR A 12 1.616 -0.080 14.548 1.00 0.00 C ATOM 250 C THR A 12 1.619 1.237 13.769 1.00 0.00 C ATOM 251 O THR A 12 1.815 2.293 14.336 1.00 0.00 O ATOM 252 CB THR A 12 3.039 -0.394 15.020 1.00 0.00 C ATOM 253 OG1 THR A 12 3.907 -0.451 13.897 1.00 0.00 O ATOM 254 CG2 THR A 12 3.054 -1.738 15.750 1.00 0.00 C ATOM 0 H THR A 12 1.855 -1.749 13.243 1.00 0.00 H new ATOM 0 HA THR A 12 0.954 0.018 15.408 1.00 0.00 H new ATOM 0 HB THR A 12 3.376 0.388 15.701 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.134 -1.385 13.706 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.068 -1.959 16.085 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.389 -1.691 16.612 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.716 -2.523 15.074 1.00 0.00 H new ATOM 262 N ARG A 13 1.423 1.198 12.476 1.00 0.00 N ATOM 263 CA ARG A 13 1.444 2.474 11.702 1.00 0.00 C ATOM 264 C ARG A 13 0.593 2.382 10.433 1.00 0.00 C ATOM 265 O ARG A 13 1.034 2.757 9.366 1.00 0.00 O ATOM 266 CB ARG A 13 2.886 2.794 11.300 1.00 0.00 C ATOM 267 CG ARG A 13 3.712 3.140 12.542 1.00 0.00 C ATOM 268 CD ARG A 13 5.085 3.659 12.110 1.00 0.00 C ATOM 269 NE ARG A 13 5.962 3.798 13.307 1.00 0.00 N ATOM 270 CZ ARG A 13 5.722 4.731 14.188 1.00 0.00 C ATOM 271 NH1 ARG A 13 4.712 5.541 14.024 1.00 0.00 N ATOM 272 NH2 ARG A 13 6.493 4.853 15.234 1.00 0.00 N ATOM 0 H ARG A 13 1.252 0.353 11.931 1.00 0.00 H new ATOM 0 HA ARG A 13 1.031 3.257 12.338 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.327 1.940 10.786 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.900 3.629 10.600 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.196 3.894 13.137 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.826 2.259 13.174 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.536 2.973 11.393 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.981 4.621 11.608 1.00 0.00 H new ATOM 0 HE ARG A 13 6.750 3.164 13.438 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.109 5.445 13.207 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.525 6.270 14.713 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.282 4.220 15.362 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.306 5.582 15.923 1.00 0.00 H new ATOM 286 N CYS A 14 -0.618 1.908 10.518 1.00 0.00 N ATOM 287 CA CYS A 14 -1.451 1.829 9.283 1.00 0.00 C ATOM 288 C CYS A 14 -2.927 1.639 9.648 1.00 0.00 C ATOM 289 O CYS A 14 -3.805 1.832 8.830 1.00 0.00 O ATOM 290 CB CYS A 14 -0.971 0.652 8.434 1.00 0.00 C ATOM 291 SG CYS A 14 -1.131 1.054 6.673 1.00 0.00 S ATOM 0 H CYS A 14 -1.063 1.576 11.374 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.351 2.757 8.720 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.068 0.422 8.670 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.556 -0.238 8.667 1.00 0.00 H new ATOM 296 N LEU A 15 -3.209 1.259 10.862 1.00 0.00 N ATOM 297 CA LEU A 15 -4.628 1.054 11.271 1.00 0.00 C ATOM 298 C LEU A 15 -5.382 2.387 11.233 1.00 0.00 C ATOM 299 O LEU A 15 -6.576 2.431 11.008 1.00 0.00 O ATOM 300 CB LEU A 15 -4.670 0.496 12.696 1.00 0.00 C ATOM 301 CG LEU A 15 -3.756 -0.725 12.792 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.934 -1.393 14.156 1.00 0.00 C ATOM 303 CD2 LEU A 15 -4.109 -1.719 11.686 1.00 0.00 C ATOM 0 H LEU A 15 -2.518 1.081 11.591 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.099 0.353 10.582 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.351 1.259 13.406 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.691 0.221 12.960 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.719 -0.409 12.676 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.281 -2.264 14.223 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.677 -0.685 14.944 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.971 -1.707 14.275 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.456 -2.589 11.756 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.146 -2.034 11.798 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.977 -1.244 10.714 1.00 0.00 H new ATOM 315 N GLN A 16 -4.699 3.471 11.474 1.00 0.00 N ATOM 316 CA GLN A 16 -5.374 4.801 11.479 1.00 0.00 C ATOM 317 C GLN A 16 -5.949 5.126 10.096 1.00 0.00 C ATOM 318 O GLN A 16 -6.409 6.225 9.860 1.00 0.00 O ATOM 319 CB GLN A 16 -4.359 5.878 11.866 1.00 0.00 C ATOM 320 CG GLN A 16 -3.328 6.030 10.746 1.00 0.00 C ATOM 321 CD GLN A 16 -2.180 6.920 11.226 1.00 0.00 C ATOM 322 OE1 GLN A 16 -1.728 6.797 12.347 1.00 0.00 O ATOM 323 NE2 GLN A 16 -1.686 7.819 10.418 1.00 0.00 N ATOM 0 H GLN A 16 -3.698 3.494 11.669 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.192 4.774 12.199 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.867 6.827 12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.863 5.608 12.798 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.946 5.052 10.454 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.796 6.466 9.863 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.065 7.922 9.477 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.921 8.418 10.728 1.00 0.00 H new ATOM 332 N CYS A 17 -5.936 4.195 9.180 1.00 0.00 N ATOM 333 CA CYS A 17 -6.493 4.494 7.828 1.00 0.00 C ATOM 334 C CYS A 17 -6.886 3.192 7.128 1.00 0.00 C ATOM 335 O CYS A 17 -8.053 2.907 6.948 1.00 0.00 O ATOM 336 CB CYS A 17 -5.442 5.230 6.995 1.00 0.00 C ATOM 337 SG CYS A 17 -5.283 6.936 7.594 1.00 0.00 S ATOM 0 H CYS A 17 -5.569 3.252 9.306 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.378 5.122 7.934 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.483 4.718 7.065 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.729 5.228 5.943 1.00 0.00 H new ATOM 342 N HIS A 18 -5.932 2.391 6.738 1.00 0.00 N ATOM 343 CA HIS A 18 -6.281 1.111 6.059 1.00 0.00 C ATOM 344 C HIS A 18 -6.629 0.070 7.118 1.00 0.00 C ATOM 345 O HIS A 18 -5.797 -0.315 7.915 1.00 0.00 O ATOM 346 CB HIS A 18 -5.088 0.589 5.253 1.00 0.00 C ATOM 347 CG HIS A 18 -4.739 1.542 4.147 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.265 1.429 2.864 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.886 2.609 4.109 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.718 2.408 2.117 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.874 3.150 2.834 1.00 0.00 N ATOM 0 H HIS A 18 -4.934 2.565 6.859 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.123 1.288 5.390 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.229 0.456 5.910 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.325 -0.390 4.836 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.940 0.733 2.547 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.309 2.975 4.946 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.935 2.571 1.072 1.00 0.00 H new ATOM 359 N THR A 19 -7.840 -0.404 7.127 1.00 0.00 N ATOM 360 CA THR A 19 -8.213 -1.434 8.129 1.00 0.00 C ATOM 361 C THR A 19 -8.113 -2.805 7.459 1.00 0.00 C ATOM 362 O THR A 19 -8.754 -3.056 6.459 1.00 0.00 O ATOM 363 CB THR A 19 -9.648 -1.189 8.603 1.00 0.00 C ATOM 364 OG1 THR A 19 -9.764 0.142 9.086 1.00 0.00 O ATOM 365 CG2 THR A 19 -9.996 -2.170 9.723 1.00 0.00 C ATOM 0 H THR A 19 -8.584 -0.125 6.488 1.00 0.00 H new ATOM 0 HA THR A 19 -7.547 -1.388 8.991 1.00 0.00 H new ATOM 0 HB THR A 19 -10.334 -1.337 7.769 1.00 0.00 H new ATOM 0 HG1 THR A 19 -10.171 0.706 8.396 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.018 -1.992 10.058 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.908 -3.191 9.353 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.311 -2.027 10.558 1.00 0.00 H new ATOM 373 N VAL A 20 -7.302 -3.684 7.983 1.00 0.00 N ATOM 374 CA VAL A 20 -7.147 -5.026 7.354 1.00 0.00 C ATOM 375 C VAL A 20 -7.668 -6.118 8.289 1.00 0.00 C ATOM 376 O VAL A 20 -6.932 -6.981 8.725 1.00 0.00 O ATOM 377 CB VAL A 20 -5.669 -5.258 7.055 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.494 -6.567 6.288 1.00 0.00 C ATOM 379 CG2 VAL A 20 -5.148 -4.100 6.205 1.00 0.00 C ATOM 0 H VAL A 20 -6.740 -3.530 8.820 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.725 -5.064 6.430 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.112 -5.315 7.990 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.437 -6.727 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.874 -7.394 6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.047 -6.516 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.092 -4.256 5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.709 -4.052 5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.271 -3.164 6.750 1.00 0.00 H new ATOM 389 N GLU A 21 -8.938 -6.102 8.580 1.00 0.00 N ATOM 390 CA GLU A 21 -9.515 -7.155 9.460 1.00 0.00 C ATOM 391 C GLU A 21 -10.002 -8.308 8.584 1.00 0.00 C ATOM 392 O GLU A 21 -10.795 -9.126 9.003 1.00 0.00 O ATOM 393 CB GLU A 21 -10.690 -6.581 10.254 1.00 0.00 C ATOM 394 CG GLU A 21 -10.186 -5.482 11.192 1.00 0.00 C ATOM 395 CD GLU A 21 -11.354 -4.941 12.019 1.00 0.00 C ATOM 396 OE1 GLU A 21 -12.482 -5.295 11.718 1.00 0.00 O ATOM 397 OE2 GLU A 21 -11.101 -4.182 12.940 1.00 0.00 O ATOM 0 H GLU A 21 -9.602 -5.404 8.246 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.758 -7.510 10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.439 -6.177 9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.174 -7.370 10.829 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.413 -5.878 11.851 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.732 -4.677 10.615 1.00 0.00 H new ATOM 404 N LYS A 22 -9.540 -8.359 7.360 1.00 0.00 N ATOM 405 CA LYS A 22 -9.971 -9.440 6.426 1.00 0.00 C ATOM 406 C LYS A 22 -11.470 -9.303 6.170 1.00 0.00 C ATOM 407 O LYS A 22 -12.203 -10.272 6.156 1.00 0.00 O ATOM 408 CB LYS A 22 -9.666 -10.813 7.032 1.00 0.00 C ATOM 409 CG LYS A 22 -8.215 -10.840 7.515 1.00 0.00 C ATOM 410 CD LYS A 22 -8.186 -11.133 9.014 1.00 0.00 C ATOM 411 CE LYS A 22 -8.618 -12.579 9.259 1.00 0.00 C ATOM 412 NZ LYS A 22 -7.474 -13.352 9.823 1.00 0.00 N ATOM 0 H LYS A 22 -8.877 -7.692 6.966 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.427 -9.349 5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.342 -11.015 7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.829 -11.595 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.654 -11.601 6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.734 -9.883 7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.183 -10.970 9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.851 -10.449 9.542 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.463 -12.606 9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.952 -13.033 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.768 -14.336 9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.680 -13.337 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.175 -12.923 10.722 1.00 0.00 H new ATOM 426 N GLY A 23 -11.924 -8.097 5.968 1.00 0.00 N ATOM 427 CA GLY A 23 -13.374 -7.868 5.712 1.00 0.00 C ATOM 428 C GLY A 23 -13.887 -6.768 6.644 1.00 0.00 C ATOM 429 O GLY A 23 -14.969 -6.861 7.189 1.00 0.00 O ATOM 0 H GLY A 23 -11.349 -7.255 5.969 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.530 -7.581 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.933 -8.789 5.876 1.00 0.00 H new ATOM 433 N GLY A 24 -13.116 -5.729 6.835 1.00 0.00 N ATOM 434 CA GLY A 24 -13.560 -4.626 7.737 1.00 0.00 C ATOM 435 C GLY A 24 -13.971 -3.408 6.906 1.00 0.00 C ATOM 436 O GLY A 24 -13.629 -3.290 5.747 1.00 0.00 O ATOM 0 H GLY A 24 -12.200 -5.597 6.406 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.398 -4.960 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.754 -4.356 8.420 1.00 0.00 H new ATOM 440 N PRO A 25 -14.703 -2.509 7.508 1.00 0.00 N ATOM 441 CA PRO A 25 -15.183 -1.264 6.838 1.00 0.00 C ATOM 442 C PRO A 25 -14.027 -0.418 6.297 1.00 0.00 C ATOM 443 O PRO A 25 -12.888 -0.588 6.686 1.00 0.00 O ATOM 444 CB PRO A 25 -15.937 -0.503 7.936 1.00 0.00 C ATOM 445 CG PRO A 25 -15.551 -1.147 9.229 1.00 0.00 C ATOM 446 CD PRO A 25 -15.153 -2.584 8.902 1.00 0.00 C ATOM 0 HA PRO A 25 -15.806 -1.493 5.974 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.669 0.554 7.932 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.014 -0.559 7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.723 -0.613 9.695 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.382 -1.127 9.935 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.361 -2.940 9.560 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.994 -3.269 9.016 1.00 0.00 H new ATOM 454 N HIS A 26 -14.307 0.490 5.400 1.00 0.00 N ATOM 455 CA HIS A 26 -13.216 1.336 4.839 1.00 0.00 C ATOM 456 C HIS A 26 -13.195 2.688 5.549 1.00 0.00 C ATOM 457 O HIS A 26 -14.222 3.286 5.804 1.00 0.00 O ATOM 458 CB HIS A 26 -13.457 1.578 3.347 1.00 0.00 C ATOM 459 CG HIS A 26 -13.594 0.266 2.626 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.518 -0.353 2.006 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.676 -0.551 2.404 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.973 -1.489 1.443 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.279 -1.654 1.659 1.00 0.00 N ATOM 0 H HIS A 26 -15.240 0.681 5.034 1.00 0.00 H new ATOM 0 HA HIS A 26 -12.267 0.820 4.984 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.359 2.174 3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.630 2.149 2.925 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.680 -0.364 2.755 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.357 -2.180 0.886 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.864 -2.428 1.343 1.00 0.00 H new ATOM 472 N LYS A 27 -12.027 3.184 5.854 1.00 0.00 N ATOM 473 CA LYS A 27 -11.925 4.506 6.529 1.00 0.00 C ATOM 474 C LYS A 27 -11.421 5.529 5.509 1.00 0.00 C ATOM 475 O LYS A 27 -11.829 5.522 4.364 1.00 0.00 O ATOM 476 CB LYS A 27 -10.943 4.412 7.699 1.00 0.00 C ATOM 477 CG LYS A 27 -11.468 3.405 8.725 1.00 0.00 C ATOM 478 CD LYS A 27 -10.551 3.400 9.950 1.00 0.00 C ATOM 479 CE LYS A 27 -11.007 2.314 10.928 1.00 0.00 C ATOM 480 NZ LYS A 27 -11.772 2.941 12.043 1.00 0.00 N ATOM 0 H LYS A 27 -11.135 2.727 5.663 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.899 4.810 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.961 4.103 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.819 5.390 8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.485 3.666 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.510 2.409 8.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.520 3.219 9.645 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.573 4.375 10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.629 1.582 10.412 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.144 1.778 11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.082 2.204 12.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.164 3.623 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.604 3.434 11.659 1.00 0.00 H new ATOM 494 N VAL A 28 -10.536 6.401 5.899 1.00 0.00 N ATOM 495 CA VAL A 28 -10.016 7.405 4.929 1.00 0.00 C ATOM 496 C VAL A 28 -9.355 6.672 3.761 1.00 0.00 C ATOM 497 O VAL A 28 -9.472 7.074 2.621 1.00 0.00 O ATOM 498 CB VAL A 28 -8.983 8.299 5.615 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.302 9.186 4.571 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.679 9.182 6.652 1.00 0.00 C ATOM 0 H VAL A 28 -10.151 6.463 6.842 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.838 8.021 4.565 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.237 7.676 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.565 9.824 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.805 8.560 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -9.050 9.807 4.078 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.942 9.819 7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.426 9.804 6.158 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.166 8.553 7.397 1.00 0.00 H new ATOM 510 N GLY A 29 -8.661 5.601 4.039 1.00 0.00 N ATOM 511 CA GLY A 29 -7.990 4.839 2.948 1.00 0.00 C ATOM 512 C GLY A 29 -8.706 3.500 2.739 1.00 0.00 C ATOM 513 O GLY A 29 -9.376 3.001 3.621 1.00 0.00 O ATOM 0 H GLY A 29 -8.530 5.221 4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.004 5.418 2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.944 4.668 3.201 1.00 0.00 H new ATOM 517 N PRO A 30 -8.562 2.928 1.572 1.00 0.00 N ATOM 518 CA PRO A 30 -9.201 1.624 1.219 1.00 0.00 C ATOM 519 C PRO A 30 -8.759 0.476 2.132 1.00 0.00 C ATOM 520 O PRO A 30 -7.714 0.523 2.749 1.00 0.00 O ATOM 521 CB PRO A 30 -8.751 1.354 -0.222 1.00 0.00 C ATOM 522 CG PRO A 30 -7.592 2.265 -0.469 1.00 0.00 C ATOM 523 CD PRO A 30 -7.773 3.464 0.457 1.00 0.00 C ATOM 0 HA PRO A 30 -10.283 1.681 1.334 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.462 0.311 -0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.559 1.551 -0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.650 1.757 -0.265 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.564 2.582 -1.512 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.814 3.855 0.797 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.292 4.282 -0.044 1.00 0.00 H new ATOM 531 N ASN A 31 -9.553 -0.558 2.211 1.00 0.00 N ATOM 532 CA ASN A 31 -9.192 -1.723 3.069 1.00 0.00 C ATOM 533 C ASN A 31 -7.773 -2.183 2.735 1.00 0.00 C ATOM 534 O ASN A 31 -7.074 -2.710 3.575 1.00 0.00 O ATOM 535 CB ASN A 31 -10.173 -2.869 2.808 1.00 0.00 C ATOM 536 CG ASN A 31 -9.921 -3.997 3.810 1.00 0.00 C ATOM 537 OD1 ASN A 31 -8.866 -4.073 4.404 1.00 0.00 O ATOM 538 ND2 ASN A 31 -10.856 -4.883 4.024 1.00 0.00 N ATOM 0 H ASN A 31 -10.440 -0.646 1.716 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.241 -1.431 4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.199 -2.511 2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.053 -3.239 1.790 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.699 -5.639 4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.743 -4.819 3.525 1.00 0.00 H new ATOM 545 N LEU A 32 -7.353 -1.993 1.513 1.00 0.00 N ATOM 546 CA LEU A 32 -5.983 -2.418 1.105 1.00 0.00 C ATOM 547 C LEU A 32 -5.918 -3.943 1.074 1.00 0.00 C ATOM 548 O LEU A 32 -4.857 -4.531 1.020 1.00 0.00 O ATOM 549 CB LEU A 32 -4.949 -1.871 2.101 1.00 0.00 C ATOM 550 CG LEU A 32 -3.557 -1.855 1.465 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.554 -0.921 0.256 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.544 -1.335 2.485 1.00 0.00 C ATOM 0 H LEU A 32 -7.905 -1.558 0.774 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.760 -2.024 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.228 -0.863 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.939 -2.487 3.000 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.294 -2.865 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.561 -0.912 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.282 -1.271 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.817 0.088 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.550 -1.322 2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.819 -0.325 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.539 -1.987 3.358 1.00 0.00 H new ATOM 564 N HIS A 33 -7.052 -4.587 1.102 1.00 0.00 N ATOM 565 CA HIS A 33 -7.064 -6.074 1.065 1.00 0.00 C ATOM 566 C HIS A 33 -7.215 -6.542 -0.382 1.00 0.00 C ATOM 567 O HIS A 33 -7.010 -7.697 -0.695 1.00 0.00 O ATOM 568 CB HIS A 33 -8.230 -6.598 1.901 1.00 0.00 C ATOM 569 CG HIS A 33 -7.720 -7.663 2.827 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.595 -7.473 3.614 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.154 -8.937 3.091 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.388 -8.606 4.306 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.312 -9.528 4.025 1.00 0.00 N ATOM 0 H HIS A 33 -7.971 -4.146 1.149 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.130 -6.457 1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.681 -5.786 2.471 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.008 -7.002 1.253 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.016 -9.408 2.643 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.576 -8.753 5.002 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.384 -10.468 4.414 1.00 0.00 H new ATOM 582 N GLY A 34 -7.576 -5.653 -1.265 1.00 0.00 N ATOM 583 CA GLY A 34 -7.742 -6.047 -2.692 1.00 0.00 C ATOM 584 C GLY A 34 -7.362 -4.875 -3.601 1.00 0.00 C ATOM 585 O GLY A 34 -7.875 -4.739 -4.695 1.00 0.00 O ATOM 0 H GLY A 34 -7.763 -4.671 -1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.116 -6.911 -2.916 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.774 -6.345 -2.879 1.00 0.00 H new ATOM 589 N ILE A 35 -6.469 -4.027 -3.166 1.00 0.00 N ATOM 590 CA ILE A 35 -6.070 -2.872 -4.021 1.00 0.00 C ATOM 591 C ILE A 35 -5.473 -3.391 -5.327 1.00 0.00 C ATOM 592 O ILE A 35 -5.403 -2.685 -6.314 1.00 0.00 O ATOM 593 CB ILE A 35 -5.041 -1.994 -3.292 1.00 0.00 C ATOM 594 CG1 ILE A 35 -4.957 -0.642 -3.991 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.653 -2.643 -3.312 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.067 0.292 -3.177 1.00 0.00 C ATOM 0 H ILE A 35 -6.001 -4.083 -2.261 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.952 -2.268 -4.235 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.360 -1.876 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.553 -0.764 -4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.953 -0.212 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.944 -2.001 -2.789 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.698 -3.613 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.329 -2.777 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.005 1.260 -3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.491 0.422 -2.181 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.069 -0.138 -3.093 1.00 0.00 H new ATOM 608 N PHE A 36 -5.031 -4.618 -5.340 1.00 0.00 N ATOM 609 CA PHE A 36 -4.428 -5.174 -6.581 1.00 0.00 C ATOM 610 C PHE A 36 -5.521 -5.801 -7.449 1.00 0.00 C ATOM 611 O PHE A 36 -6.314 -6.600 -6.993 1.00 0.00 O ATOM 612 CB PHE A 36 -3.402 -6.243 -6.202 1.00 0.00 C ATOM 613 CG PHE A 36 -2.275 -5.608 -5.420 1.00 0.00 C ATOM 614 CD1 PHE A 36 -2.370 -5.477 -4.026 1.00 0.00 C ATOM 615 CD2 PHE A 36 -1.134 -5.148 -6.087 1.00 0.00 C ATOM 616 CE1 PHE A 36 -1.324 -4.888 -3.305 1.00 0.00 C ATOM 617 CE2 PHE A 36 -0.089 -4.561 -5.365 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.184 -4.430 -3.974 1.00 0.00 C ATOM 0 H PHE A 36 -5.062 -5.258 -4.546 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.940 -4.376 -7.140 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.877 -7.023 -5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.011 -6.721 -7.100 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.250 -5.831 -3.509 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.060 -5.246 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.397 -4.787 -2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.792 -4.209 -5.881 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.623 -3.976 -3.418 1.00 0.00 H new ATOM 628 N GLY A 37 -5.562 -5.439 -8.702 1.00 0.00 N ATOM 629 CA GLY A 37 -6.594 -6.003 -9.619 1.00 0.00 C ATOM 630 C GLY A 37 -6.192 -5.689 -11.060 1.00 0.00 C ATOM 631 O GLY A 37 -5.161 -5.099 -11.303 1.00 0.00 O ATOM 0 H GLY A 37 -4.921 -4.773 -9.133 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.678 -7.080 -9.476 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.571 -5.575 -9.397 1.00 0.00 H new ATOM 635 N ARG A 38 -6.986 -6.077 -12.020 1.00 0.00 N ATOM 636 CA ARG A 38 -6.621 -5.792 -13.438 1.00 0.00 C ATOM 637 C ARG A 38 -6.389 -4.288 -13.615 1.00 0.00 C ATOM 638 O ARG A 38 -5.407 -3.869 -14.196 1.00 0.00 O ATOM 639 CB ARG A 38 -7.752 -6.254 -14.359 1.00 0.00 C ATOM 640 CG ARG A 38 -8.970 -5.349 -14.171 1.00 0.00 C ATOM 641 CD ARG A 38 -10.191 -5.992 -14.830 1.00 0.00 C ATOM 642 NE ARG A 38 -10.721 -7.070 -13.949 1.00 0.00 N ATOM 643 CZ ARG A 38 -11.484 -8.003 -14.448 1.00 0.00 C ATOM 644 NH1 ARG A 38 -11.784 -7.992 -15.717 1.00 0.00 N ATOM 645 NH2 ARG A 38 -11.948 -8.949 -13.676 1.00 0.00 N ATOM 0 H ARG A 38 -7.866 -6.576 -11.886 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.707 -6.328 -13.694 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.423 -6.226 -15.398 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.017 -7.288 -14.136 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.158 -5.191 -13.109 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.780 -4.370 -14.611 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.961 -5.240 -15.006 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.919 -6.403 -15.802 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.487 -7.079 -12.956 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.422 -7.253 -16.320 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.381 -8.722 -16.106 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.714 -8.958 -12.683 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.545 -9.679 -14.066 1.00 0.00 H new ATOM 659 N HIS A 39 -7.275 -3.475 -13.104 1.00 0.00 N ATOM 660 CA HIS A 39 -7.107 -1.996 -13.225 1.00 0.00 C ATOM 661 C HIS A 39 -7.039 -1.402 -11.819 1.00 0.00 C ATOM 662 O HIS A 39 -7.713 -1.859 -10.917 1.00 0.00 O ATOM 663 CB HIS A 39 -8.313 -1.389 -13.955 1.00 0.00 C ATOM 664 CG HIS A 39 -8.455 -1.987 -15.330 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.645 -1.916 -16.041 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.577 -2.667 -16.138 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.452 -2.537 -17.220 1.00 0.00 C ATOM 668 NE2 HIS A 39 -8.211 -3.011 -17.326 1.00 0.00 N ATOM 0 H HIS A 39 -8.113 -3.773 -12.605 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.198 -1.777 -13.785 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.221 -1.567 -13.379 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.192 -0.309 -14.033 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.552 -2.899 -15.889 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -10.208 -2.638 -17.984 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.810 -3.520 -18.114 1.00 0.00 H new ATOM 677 N SER A 40 -6.240 -0.393 -11.612 1.00 0.00 N ATOM 678 CA SER A 40 -6.158 0.198 -10.254 1.00 0.00 C ATOM 679 C SER A 40 -7.509 0.809 -9.870 1.00 0.00 C ATOM 680 O SER A 40 -8.347 1.066 -10.712 1.00 0.00 O ATOM 681 CB SER A 40 -5.075 1.275 -10.231 1.00 0.00 C ATOM 682 OG SER A 40 -5.480 2.363 -11.050 1.00 0.00 O ATOM 0 H SER A 40 -5.647 0.042 -12.318 1.00 0.00 H new ATOM 0 HA SER A 40 -5.906 -0.582 -9.536 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.906 1.616 -9.210 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.131 0.866 -10.590 1.00 0.00 H new ATOM 0 HG SER A 40 -4.933 3.149 -10.844 1.00 0.00 H new ATOM 688 N GLY A 41 -7.731 1.033 -8.601 1.00 0.00 N ATOM 689 CA GLY A 41 -9.032 1.614 -8.162 1.00 0.00 C ATOM 690 C GLY A 41 -10.142 0.576 -8.362 1.00 0.00 C ATOM 691 O GLY A 41 -10.952 0.694 -9.258 1.00 0.00 O ATOM 0 H GLY A 41 -7.068 0.839 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.977 1.908 -7.114 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.253 2.515 -8.734 1.00 0.00 H new ATOM 695 N GLN A 42 -10.173 -0.453 -7.545 1.00 0.00 N ATOM 696 CA GLN A 42 -11.224 -1.510 -7.713 1.00 0.00 C ATOM 697 C GLN A 42 -11.989 -1.741 -6.402 1.00 0.00 C ATOM 698 O GLN A 42 -12.859 -2.587 -6.335 1.00 0.00 O ATOM 699 CB GLN A 42 -10.569 -2.832 -8.129 1.00 0.00 C ATOM 700 CG GLN A 42 -9.407 -2.568 -9.089 1.00 0.00 C ATOM 701 CD GLN A 42 -8.086 -2.694 -8.328 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.682 -3.779 -7.963 1.00 0.00 O ATOM 703 NE2 GLN A 42 -7.395 -1.620 -8.066 1.00 0.00 N ATOM 0 H GLN A 42 -9.522 -0.606 -6.775 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.920 -1.170 -8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.208 -3.361 -7.247 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.306 -3.477 -8.608 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.434 -3.279 -9.915 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.497 -1.572 -9.522 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.734 -0.708 -8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.515 -1.692 -7.555 1.00 0.00 H new ATOM 712 N ALA A 43 -11.677 -1.025 -5.358 1.00 0.00 N ATOM 713 CA ALA A 43 -12.404 -1.255 -4.073 1.00 0.00 C ATOM 714 C ALA A 43 -13.910 -1.088 -4.293 1.00 0.00 C ATOM 715 O ALA A 43 -14.375 -0.051 -4.721 1.00 0.00 O ATOM 716 CB ALA A 43 -11.928 -0.250 -3.021 1.00 0.00 C ATOM 0 H ALA A 43 -10.960 -0.299 -5.335 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.199 -2.267 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.461 -0.422 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.858 -0.375 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.126 0.763 -3.370 1.00 0.00 H new ATOM 722 N GLU A 44 -14.677 -2.106 -3.998 1.00 0.00 N ATOM 723 CA GLU A 44 -16.154 -2.013 -4.185 1.00 0.00 C ATOM 724 C GLU A 44 -16.745 -1.033 -3.168 1.00 0.00 C ATOM 725 O GLU A 44 -17.662 -0.293 -3.464 1.00 0.00 O ATOM 726 CB GLU A 44 -16.780 -3.394 -3.982 1.00 0.00 C ATOM 727 CG GLU A 44 -16.288 -4.342 -5.078 1.00 0.00 C ATOM 728 CD GLU A 44 -16.960 -5.706 -4.914 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.614 -5.906 -3.902 1.00 0.00 O ATOM 730 OE2 GLU A 44 -16.811 -6.529 -5.802 1.00 0.00 O ATOM 0 H GLU A 44 -14.342 -2.999 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.367 -1.658 -5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.513 -3.786 -3.000 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.867 -3.320 -4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.516 -3.928 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.205 -4.449 -5.021 1.00 0.00 H new ATOM 737 N GLY A 45 -16.225 -1.022 -1.970 1.00 0.00 N ATOM 738 CA GLY A 45 -16.756 -0.088 -0.935 1.00 0.00 C ATOM 739 C GLY A 45 -16.009 1.240 -1.034 1.00 0.00 C ATOM 740 O GLY A 45 -16.559 2.247 -1.434 1.00 0.00 O ATOM 0 H GLY A 45 -15.456 -1.618 -1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.825 0.069 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.631 -0.517 0.059 1.00 0.00 H new ATOM 744 N TYR A 46 -14.754 1.246 -0.685 1.00 0.00 N ATOM 745 CA TYR A 46 -13.964 2.503 -0.773 1.00 0.00 C ATOM 746 C TYR A 46 -14.013 3.029 -2.206 1.00 0.00 C ATOM 747 O TYR A 46 -14.097 2.269 -3.151 1.00 0.00 O ATOM 748 CB TYR A 46 -12.514 2.218 -0.379 1.00 0.00 C ATOM 749 CG TYR A 46 -11.658 3.405 -0.731 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.551 4.487 0.151 1.00 0.00 C ATOM 751 CD2 TYR A 46 -10.971 3.420 -1.948 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.755 5.585 -0.189 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.175 4.516 -2.288 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.065 5.601 -1.409 1.00 0.00 C ATOM 755 OH TYR A 46 -9.281 6.686 -1.745 1.00 0.00 O ATOM 0 H TYR A 46 -14.241 0.434 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.382 3.250 -0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.449 2.013 0.690 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.153 1.329 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.082 4.474 1.091 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -11.056 2.584 -2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.672 6.422 0.489 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.644 4.527 -3.229 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.810 6.502 -2.584 1.00 0.00 H new ATOM 765 N SER A 47 -13.970 4.323 -2.377 1.00 0.00 N ATOM 766 CA SER A 47 -14.024 4.900 -3.750 1.00 0.00 C ATOM 767 C SER A 47 -12.724 5.648 -4.051 1.00 0.00 C ATOM 768 O SER A 47 -12.064 6.155 -3.165 1.00 0.00 O ATOM 769 CB SER A 47 -15.200 5.873 -3.845 1.00 0.00 C ATOM 770 OG SER A 47 -14.975 6.968 -2.968 1.00 0.00 O ATOM 0 H SER A 47 -13.900 5.006 -1.623 1.00 0.00 H new ATOM 0 HA SER A 47 -14.152 4.094 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.310 6.229 -4.869 1.00 0.00 H new ATOM 0 HB3 SER A 47 -16.128 5.366 -3.582 1.00 0.00 H new ATOM 0 HG SER A 47 -15.726 7.595 -3.028 1.00 0.00 H new ATOM 776 N TYR A 48 -12.358 5.722 -5.301 1.00 0.00 N ATOM 777 CA TYR A 48 -11.106 6.437 -5.681 1.00 0.00 C ATOM 778 C TYR A 48 -11.463 7.747 -6.382 1.00 0.00 C ATOM 779 O TYR A 48 -12.541 7.901 -6.921 1.00 0.00 O ATOM 780 CB TYR A 48 -10.287 5.564 -6.635 1.00 0.00 C ATOM 781 CG TYR A 48 -9.853 4.309 -5.922 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.773 3.280 -5.702 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.533 4.179 -5.474 1.00 0.00 C ATOM 784 CE1 TYR A 48 -10.376 2.118 -5.035 1.00 0.00 C ATOM 785 CE2 TYR A 48 -8.135 3.015 -4.805 1.00 0.00 C ATOM 786 CZ TYR A 48 -9.056 1.984 -4.585 1.00 0.00 C ATOM 787 OH TYR A 48 -8.665 0.837 -3.926 1.00 0.00 O ATOM 0 H TYR A 48 -12.875 5.316 -6.080 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.522 6.646 -4.784 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.881 5.309 -7.512 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.415 6.114 -6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.791 3.383 -6.048 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.823 4.975 -5.644 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -11.087 1.323 -4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.117 2.913 -4.459 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.194 0.078 -4.248 1.00 0.00 H new ATOM 797 N THR A 49 -10.565 8.693 -6.382 1.00 0.00 N ATOM 798 CA THR A 49 -10.853 9.991 -7.053 1.00 0.00 C ATOM 799 C THR A 49 -11.114 9.735 -8.538 1.00 0.00 C ATOM 800 O THR A 49 -11.330 10.650 -9.306 1.00 0.00 O ATOM 801 CB THR A 49 -9.654 10.935 -6.911 1.00 0.00 C ATOM 802 OG1 THR A 49 -9.015 11.074 -8.171 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.657 10.367 -5.899 1.00 0.00 C ATOM 0 H THR A 49 -9.645 8.623 -5.947 1.00 0.00 H new ATOM 0 HA THR A 49 -11.726 10.450 -6.589 1.00 0.00 H new ATOM 0 HB THR A 49 -10.003 11.907 -6.563 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.472 11.890 -8.174 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.808 11.045 -5.805 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.144 10.258 -4.930 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.307 9.393 -6.240 1.00 0.00 H new ATOM 811 N ASP A 50 -11.083 8.491 -8.940 1.00 0.00 N ATOM 812 CA ASP A 50 -11.316 8.141 -10.372 1.00 0.00 C ATOM 813 C ASP A 50 -10.009 8.304 -11.145 1.00 0.00 C ATOM 814 O ASP A 50 -9.796 7.671 -12.159 1.00 0.00 O ATOM 815 CB ASP A 50 -12.386 9.058 -10.972 1.00 0.00 C ATOM 816 CG ASP A 50 -13.131 8.317 -12.085 1.00 0.00 C ATOM 817 OD1 ASP A 50 -12.670 7.257 -12.478 1.00 0.00 O ATOM 818 OD2 ASP A 50 -14.149 8.823 -12.528 1.00 0.00 O ATOM 0 H ASP A 50 -10.904 7.694 -8.329 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.660 7.109 -10.440 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.086 9.372 -10.198 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.924 9.962 -11.369 1.00 0.00 H new ATOM 823 N ALA A 51 -9.127 9.141 -10.672 1.00 0.00 N ATOM 824 CA ALA A 51 -7.833 9.331 -11.384 1.00 0.00 C ATOM 825 C ALA A 51 -7.055 8.012 -11.373 1.00 0.00 C ATOM 826 O ALA A 51 -6.457 7.626 -12.356 1.00 0.00 O ATOM 827 CB ALA A 51 -7.020 10.424 -10.683 1.00 0.00 C ATOM 0 H ALA A 51 -9.246 9.699 -9.827 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.019 9.632 -12.415 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.073 10.563 -11.204 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.581 11.358 -10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.827 10.129 -9.652 1.00 0.00 H new ATOM 833 N ASN A 52 -7.069 7.313 -10.271 1.00 0.00 N ATOM 834 CA ASN A 52 -6.341 6.010 -10.195 1.00 0.00 C ATOM 835 C ASN A 52 -6.853 5.064 -11.286 1.00 0.00 C ATOM 836 O ASN A 52 -6.089 4.387 -11.943 1.00 0.00 O ATOM 837 CB ASN A 52 -6.587 5.382 -8.821 1.00 0.00 C ATOM 838 CG ASN A 52 -5.818 4.066 -8.707 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.773 3.905 -9.307 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.298 3.113 -7.956 1.00 0.00 N ATOM 0 H ASN A 52 -7.554 7.587 -9.417 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.274 6.179 -10.341 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.270 6.068 -8.036 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.653 5.204 -8.678 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.796 2.229 -7.871 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.175 3.252 -7.454 1.00 0.00 H new ATOM 847 N ILE A 53 -8.142 5.008 -11.476 1.00 0.00 N ATOM 848 CA ILE A 53 -8.713 4.099 -12.513 1.00 0.00 C ATOM 849 C ILE A 53 -8.308 4.554 -13.921 1.00 0.00 C ATOM 850 O ILE A 53 -7.993 3.748 -14.774 1.00 0.00 O ATOM 851 CB ILE A 53 -10.239 4.105 -12.402 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.649 3.655 -10.999 1.00 0.00 C ATOM 853 CG2 ILE A 53 -10.830 3.146 -13.437 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.163 3.799 -10.838 1.00 0.00 C ATOM 0 H ILE A 53 -8.829 5.555 -10.956 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.325 3.094 -12.347 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.613 5.112 -12.585 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.353 2.619 -10.837 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.134 4.255 -10.248 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -11.917 3.150 -13.358 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.538 3.465 -14.437 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -10.457 2.138 -13.254 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.455 3.478 -9.838 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.447 4.842 -10.982 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -12.668 3.180 -11.579 1.00 0.00 H new ATOM 866 N LYS A 54 -8.331 5.833 -14.179 1.00 0.00 N ATOM 867 CA LYS A 54 -7.968 6.328 -15.537 1.00 0.00 C ATOM 868 C LYS A 54 -6.541 5.908 -15.900 1.00 0.00 C ATOM 869 O LYS A 54 -6.251 5.595 -17.038 1.00 0.00 O ATOM 870 CB LYS A 54 -8.074 7.852 -15.561 1.00 0.00 C ATOM 871 CG LYS A 54 -9.538 8.265 -15.397 1.00 0.00 C ATOM 872 CD LYS A 54 -9.660 9.784 -15.523 1.00 0.00 C ATOM 873 CE LYS A 54 -11.104 10.205 -15.248 1.00 0.00 C ATOM 874 NZ LYS A 54 -11.603 11.036 -16.380 1.00 0.00 N ATOM 0 H LYS A 54 -8.586 6.557 -13.507 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.653 5.895 -16.266 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.472 8.282 -14.760 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.679 8.240 -16.500 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.151 7.777 -16.155 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.912 7.939 -14.426 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.987 10.273 -14.819 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.361 10.102 -16.522 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.734 9.324 -15.124 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.159 10.769 -14.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.585 11.323 -16.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.008 11.883 -16.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.565 10.483 -17.260 1.00 0.00 H new ATOM 888 N LYS A 55 -5.648 5.903 -14.953 1.00 0.00 N ATOM 889 CA LYS A 55 -4.246 5.506 -15.261 1.00 0.00 C ATOM 890 C LYS A 55 -4.214 4.068 -15.779 1.00 0.00 C ATOM 891 O LYS A 55 -3.420 3.726 -16.633 1.00 0.00 O ATOM 892 CB LYS A 55 -3.390 5.606 -13.994 1.00 0.00 C ATOM 893 CG LYS A 55 -3.411 7.041 -13.453 1.00 0.00 C ATOM 894 CD LYS A 55 -2.661 7.975 -14.408 1.00 0.00 C ATOM 895 CE LYS A 55 -2.317 9.275 -13.681 1.00 0.00 C ATOM 896 NZ LYS A 55 -2.647 10.436 -14.555 1.00 0.00 N ATOM 0 H LYS A 55 -5.826 6.156 -13.981 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.848 6.175 -16.024 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.767 4.918 -13.237 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.365 5.307 -14.214 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.441 7.379 -13.336 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.951 7.072 -12.465 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.751 7.493 -14.765 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.274 8.187 -15.284 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.874 9.340 -12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.258 9.290 -13.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.413 11.320 -14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.096 10.375 -15.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.662 10.424 -14.780 1.00 0.00 H new ATOM 910 N ASN A 56 -5.060 3.217 -15.266 1.00 0.00 N ATOM 911 CA ASN A 56 -5.054 1.803 -15.731 1.00 0.00 C ATOM 912 C ASN A 56 -3.630 1.263 -15.604 1.00 0.00 C ATOM 913 O ASN A 56 -3.129 0.575 -16.471 1.00 0.00 O ATOM 914 CB ASN A 56 -5.500 1.739 -17.194 1.00 0.00 C ATOM 915 CG ASN A 56 -5.680 0.279 -17.610 1.00 0.00 C ATOM 916 OD1 ASN A 56 -4.860 -0.269 -18.319 1.00 0.00 O ATOM 917 ND2 ASN A 56 -6.728 -0.381 -17.196 1.00 0.00 N ATOM 0 H ASN A 56 -5.751 3.439 -14.549 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.739 1.206 -15.128 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.436 2.283 -17.324 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.760 2.221 -17.832 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.857 -1.356 -17.468 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.417 0.078 -16.601 1.00 0.00 H new ATOM 924 N VAL A 57 -2.973 1.594 -14.529 1.00 0.00 N ATOM 925 CA VAL A 57 -1.572 1.137 -14.323 1.00 0.00 C ATOM 926 C VAL A 57 -1.538 -0.312 -13.832 1.00 0.00 C ATOM 927 O VAL A 57 -0.494 -0.932 -13.801 1.00 0.00 O ATOM 928 CB VAL A 57 -0.905 2.037 -13.278 1.00 0.00 C ATOM 929 CG1 VAL A 57 -1.922 2.399 -12.196 1.00 0.00 C ATOM 930 CG2 VAL A 57 0.264 1.296 -12.630 1.00 0.00 C ATOM 0 H VAL A 57 -3.352 2.168 -13.776 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.040 1.194 -15.273 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.541 2.942 -13.765 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.449 3.039 -11.452 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.762 2.927 -12.648 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.282 1.489 -11.716 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.736 1.939 -11.887 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.103 0.391 -12.146 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.994 1.028 -13.394 1.00 0.00 H new ATOM 940 N LEU A 58 -2.649 -0.858 -13.421 1.00 0.00 N ATOM 941 CA LEU A 58 -2.622 -2.258 -12.912 1.00 0.00 C ATOM 942 C LEU A 58 -1.575 -2.332 -11.796 1.00 0.00 C ATOM 943 O LEU A 58 -0.390 -2.427 -12.046 1.00 0.00 O ATOM 944 CB LEU A 58 -2.254 -3.215 -14.061 1.00 0.00 C ATOM 945 CG LEU A 58 -1.804 -4.574 -13.511 1.00 0.00 C ATOM 946 CD1 LEU A 58 -2.891 -5.154 -12.610 1.00 0.00 C ATOM 947 CD2 LEU A 58 -1.561 -5.531 -14.680 1.00 0.00 C ATOM 0 H LEU A 58 -3.562 -0.403 -13.415 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.598 -2.549 -12.524 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.113 -3.349 -14.718 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.457 -2.779 -14.663 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.888 -4.445 -12.935 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.566 -6.119 -12.222 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.077 -4.473 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.808 -5.284 -13.184 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.241 -6.500 -14.297 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.483 -5.653 -15.248 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.786 -5.123 -15.329 1.00 0.00 H new ATOM 959 N TRP A 59 -2.002 -2.264 -10.562 1.00 0.00 N ATOM 960 CA TRP A 59 -1.027 -2.307 -9.434 1.00 0.00 C ATOM 961 C TRP A 59 -0.301 -3.649 -9.416 1.00 0.00 C ATOM 962 O TRP A 59 -0.896 -4.696 -9.573 1.00 0.00 O ATOM 963 CB TRP A 59 -1.758 -2.108 -8.103 1.00 0.00 C ATOM 964 CG TRP A 59 -2.049 -0.658 -7.902 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.268 -0.101 -7.995 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.130 0.418 -7.566 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.164 1.258 -7.756 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.864 1.625 -7.482 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.254 0.467 -7.333 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.248 2.834 -7.177 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.879 1.683 -7.022 1.00 0.00 C ATOM 972 CH2 TRP A 59 0.129 2.867 -6.945 1.00 0.00 C ATOM 0 H TRP A 59 -2.981 -2.181 -10.288 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.300 -1.507 -9.572 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.686 -2.679 -8.098 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.148 -2.484 -7.282 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.183 -0.629 -8.220 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -3.951 1.907 -7.780 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.841 -0.438 -7.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.831 3.742 -7.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.943 1.709 -6.841 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.616 3.801 -6.707 1.00 0.00 H new ATOM 983 N ASP A 60 0.984 -3.617 -9.208 1.00 0.00 N ATOM 984 CA ASP A 60 1.775 -4.875 -9.160 1.00 0.00 C ATOM 985 C ASP A 60 2.839 -4.729 -8.079 1.00 0.00 C ATOM 986 O ASP A 60 3.065 -3.653 -7.562 1.00 0.00 O ATOM 987 CB ASP A 60 2.455 -5.116 -10.511 1.00 0.00 C ATOM 988 CG ASP A 60 1.395 -5.319 -11.596 1.00 0.00 C ATOM 989 OD1 ASP A 60 0.293 -5.712 -11.254 1.00 0.00 O ATOM 990 OD2 ASP A 60 1.707 -5.082 -12.752 1.00 0.00 O ATOM 0 H ASP A 60 1.525 -2.764 -9.068 1.00 0.00 H new ATOM 0 HA ASP A 60 1.120 -5.718 -8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.091 -4.268 -10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.101 -5.992 -10.452 1.00 0.00 H new ATOM 995 N GLU A 61 3.501 -5.790 -7.728 1.00 0.00 N ATOM 996 CA GLU A 61 4.547 -5.683 -6.679 1.00 0.00 C ATOM 997 C GLU A 61 5.628 -4.713 -7.161 1.00 0.00 C ATOM 998 O GLU A 61 6.173 -3.941 -6.398 1.00 0.00 O ATOM 999 CB GLU A 61 5.162 -7.061 -6.434 1.00 0.00 C ATOM 1000 CG GLU A 61 4.077 -8.022 -5.946 1.00 0.00 C ATOM 1001 CD GLU A 61 4.696 -9.391 -5.657 1.00 0.00 C ATOM 1002 OE1 GLU A 61 5.872 -9.557 -5.935 1.00 0.00 O ATOM 1003 OE2 GLU A 61 3.984 -10.248 -5.163 1.00 0.00 O ATOM 0 H GLU A 61 3.365 -6.722 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 61 4.111 -5.317 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.612 -7.439 -7.352 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.959 -6.989 -5.694 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.606 -7.627 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.295 -8.117 -6.700 1.00 0.00 H new ATOM 1010 N ASN A 62 5.937 -4.748 -8.429 1.00 0.00 N ATOM 1011 CA ASN A 62 6.977 -3.829 -8.976 1.00 0.00 C ATOM 1012 C ASN A 62 6.454 -2.390 -8.989 1.00 0.00 C ATOM 1013 O ASN A 62 7.160 -1.460 -8.656 1.00 0.00 O ATOM 1014 CB ASN A 62 7.323 -4.253 -10.403 1.00 0.00 C ATOM 1015 CG ASN A 62 8.005 -5.623 -10.380 1.00 0.00 C ATOM 1016 OD1 ASN A 62 8.480 -6.059 -9.350 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.074 -6.323 -11.478 1.00 0.00 N ATOM 0 H ASN A 62 5.513 -5.375 -9.112 1.00 0.00 H new ATOM 0 HA ASN A 62 7.865 -3.880 -8.347 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.419 -4.296 -11.010 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.981 -3.516 -10.863 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.527 -7.237 -11.473 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.675 -5.957 -12.342 1.00 0.00 H new ATOM 1024 N ASN A 63 5.225 -2.200 -9.382 1.00 0.00 N ATOM 1025 CA ASN A 63 4.659 -0.819 -9.428 1.00 0.00 C ATOM 1026 C ASN A 63 4.757 -0.177 -8.046 1.00 0.00 C ATOM 1027 O ASN A 63 5.031 0.999 -7.912 1.00 0.00 O ATOM 1028 CB ASN A 63 3.185 -0.876 -9.833 1.00 0.00 C ATOM 1029 CG ASN A 63 3.050 -1.443 -11.245 1.00 0.00 C ATOM 1030 OD1 ASN A 63 4.016 -1.529 -11.977 1.00 0.00 O ATOM 1031 ND2 ASN A 63 1.875 -1.833 -11.662 1.00 0.00 N ATOM 0 H ASN A 63 4.587 -2.940 -9.674 1.00 0.00 H new ATOM 0 HA ASN A 63 5.222 -0.233 -10.154 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.630 -1.496 -9.129 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.749 0.122 -9.790 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.767 -2.210 -12.603 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.065 -1.760 -11.046 1.00 0.00 H new ATOM 1038 N MET A 64 4.522 -0.939 -7.017 1.00 0.00 N ATOM 1039 CA MET A 64 4.586 -0.375 -5.643 1.00 0.00 C ATOM 1040 C MET A 64 5.987 0.176 -5.366 1.00 0.00 C ATOM 1041 O MET A 64 6.143 1.200 -4.731 1.00 0.00 O ATOM 1042 CB MET A 64 4.251 -1.475 -4.635 1.00 0.00 C ATOM 1043 CG MET A 64 2.754 -1.779 -4.695 1.00 0.00 C ATOM 1044 SD MET A 64 1.823 -0.348 -4.093 1.00 0.00 S ATOM 1045 CE MET A 64 0.228 -1.178 -3.899 1.00 0.00 C ATOM 0 H MET A 64 4.288 -1.930 -7.069 1.00 0.00 H new ATOM 0 HA MET A 64 3.867 0.439 -5.550 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.825 -2.374 -4.857 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.529 -1.159 -3.630 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.460 -2.013 -5.718 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.526 -2.656 -4.089 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.555 -0.433 -3.756 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.012 -1.764 -4.792 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.264 -1.838 -3.032 1.00 0.00 H new ATOM 1055 N SER A 65 7.008 -0.486 -5.837 1.00 0.00 N ATOM 1056 CA SER A 65 8.390 0.020 -5.592 1.00 0.00 C ATOM 1057 C SER A 65 8.561 1.386 -6.258 1.00 0.00 C ATOM 1058 O SER A 65 9.114 2.303 -5.684 1.00 0.00 O ATOM 1059 CB SER A 65 9.404 -0.963 -6.179 1.00 0.00 C ATOM 1060 OG SER A 65 9.163 -2.260 -5.647 1.00 0.00 O ATOM 0 H SER A 65 6.947 -1.349 -6.377 1.00 0.00 H new ATOM 0 HA SER A 65 8.555 0.117 -4.519 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.322 -0.982 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.418 -0.642 -5.941 1.00 0.00 H new ATOM 0 HG SER A 65 9.810 -2.893 -6.022 1.00 0.00 H new ATOM 1066 N GLU A 66 8.087 1.528 -7.465 1.00 0.00 N ATOM 1067 CA GLU A 66 8.215 2.829 -8.174 1.00 0.00 C ATOM 1068 C GLU A 66 7.305 3.870 -7.517 1.00 0.00 C ATOM 1069 O GLU A 66 7.618 5.043 -7.468 1.00 0.00 O ATOM 1070 CB GLU A 66 7.806 2.645 -9.635 1.00 0.00 C ATOM 1071 CG GLU A 66 8.785 1.694 -10.325 1.00 0.00 C ATOM 1072 CD GLU A 66 8.415 1.563 -11.803 1.00 0.00 C ATOM 1073 OE1 GLU A 66 7.366 2.060 -12.178 1.00 0.00 O ATOM 1074 OE2 GLU A 66 9.188 0.967 -12.537 1.00 0.00 O ATOM 0 H GLU A 66 7.614 0.794 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 66 9.248 3.172 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.793 2.245 -9.692 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.798 3.608 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.804 2.069 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.758 0.716 -9.845 1.00 0.00 H new ATOM 1081 N TYR A 67 6.176 3.446 -7.022 1.00 0.00 N ATOM 1082 CA TYR A 67 5.231 4.401 -6.376 1.00 0.00 C ATOM 1083 C TYR A 67 5.914 5.124 -5.215 1.00 0.00 C ATOM 1084 O TYR A 67 5.853 6.331 -5.102 1.00 0.00 O ATOM 1085 CB TYR A 67 4.027 3.622 -5.850 1.00 0.00 C ATOM 1086 CG TYR A 67 3.406 4.366 -4.694 1.00 0.00 C ATOM 1087 CD1 TYR A 67 3.058 5.711 -4.834 1.00 0.00 C ATOM 1088 CD2 TYR A 67 3.182 3.706 -3.480 1.00 0.00 C ATOM 1089 CE1 TYR A 67 2.483 6.400 -3.759 1.00 0.00 C ATOM 1090 CE2 TYR A 67 2.609 4.394 -2.405 1.00 0.00 C ATOM 1091 CZ TYR A 67 2.259 5.742 -2.545 1.00 0.00 C ATOM 1092 OH TYR A 67 1.697 6.422 -1.485 1.00 0.00 O ATOM 0 H TYR A 67 5.865 2.475 -7.037 1.00 0.00 H new ATOM 0 HA TYR A 67 4.911 5.142 -7.109 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.293 3.487 -6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.337 2.627 -5.530 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.232 6.220 -5.771 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.452 2.666 -3.373 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.212 7.440 -3.867 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.437 3.885 -1.468 1.00 0.00 H new ATOM 0 HH TYR A 67 1.301 7.259 -1.806 1.00 0.00 H new ATOM 1102 N LEU A 68 6.560 4.397 -4.349 1.00 0.00 N ATOM 1103 CA LEU A 68 7.237 5.044 -3.196 1.00 0.00 C ATOM 1104 C LEU A 68 8.385 5.925 -3.690 1.00 0.00 C ATOM 1105 O LEU A 68 8.607 7.011 -3.194 1.00 0.00 O ATOM 1106 CB LEU A 68 7.774 3.955 -2.272 1.00 0.00 C ATOM 1107 CG LEU A 68 6.597 3.160 -1.699 1.00 0.00 C ATOM 1108 CD1 LEU A 68 7.117 2.007 -0.844 1.00 0.00 C ATOM 1109 CD2 LEU A 68 5.733 4.080 -0.834 1.00 0.00 C ATOM 0 H LEU A 68 6.648 3.382 -4.391 1.00 0.00 H new ATOM 0 HA LEU A 68 6.529 5.672 -2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.444 3.293 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.356 4.400 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 68 6.002 2.761 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.275 1.445 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.732 1.348 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.716 2.403 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.895 3.515 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.333 4.480 -0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.354 4.901 -1.442 1.00 0.00 H new ATOM 1121 N THR A 69 9.113 5.466 -4.667 1.00 0.00 N ATOM 1122 CA THR A 69 10.245 6.279 -5.197 1.00 0.00 C ATOM 1123 C THR A 69 9.696 7.507 -5.929 1.00 0.00 C ATOM 1124 O THR A 69 10.285 8.570 -5.905 1.00 0.00 O ATOM 1125 CB THR A 69 11.068 5.431 -6.170 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.274 5.111 -7.304 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.513 4.143 -5.476 1.00 0.00 C ATOM 0 H THR A 69 8.975 4.564 -5.123 1.00 0.00 H new ATOM 0 HA THR A 69 10.877 6.603 -4.370 1.00 0.00 H new ATOM 0 HB THR A 69 11.947 5.991 -6.488 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.329 5.089 -7.046 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.099 3.540 -6.169 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.122 4.390 -4.606 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.636 3.580 -5.157 1.00 0.00 H new ATOM 1135 N ASN A 70 8.570 7.370 -6.577 1.00 0.00 N ATOM 1136 CA ASN A 70 7.981 8.529 -7.309 1.00 0.00 C ATOM 1137 C ASN A 70 6.463 8.531 -7.115 1.00 0.00 C ATOM 1138 O ASN A 70 5.774 7.629 -7.548 1.00 0.00 O ATOM 1139 CB ASN A 70 8.307 8.412 -8.798 1.00 0.00 C ATOM 1140 CG ASN A 70 7.879 9.693 -9.518 1.00 0.00 C ATOM 1141 OD1 ASN A 70 6.897 9.703 -10.233 1.00 0.00 O ATOM 1142 ND2 ASN A 70 8.579 10.782 -9.355 1.00 0.00 N ATOM 0 H ASN A 70 8.032 6.505 -6.631 1.00 0.00 H new ATOM 0 HA ASN A 70 8.399 9.457 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.375 8.245 -8.935 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.793 7.552 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.302 11.642 -9.828 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.403 10.773 -8.755 1.00 0.00 H new ATOM 1149 N HIS A 71 5.933 9.533 -6.467 1.00 0.00 N ATOM 1150 CA HIS A 71 4.460 9.578 -6.249 1.00 0.00 C ATOM 1151 C HIS A 71 3.952 11.010 -6.425 1.00 0.00 C ATOM 1152 O HIS A 71 4.543 11.950 -5.932 1.00 0.00 O ATOM 1153 CB HIS A 71 4.144 9.098 -4.832 1.00 0.00 C ATOM 1154 CG HIS A 71 5.132 9.695 -3.868 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.806 10.759 -3.039 1.00 0.00 N ATOM 1156 CD2 HIS A 71 6.442 9.389 -3.589 1.00 0.00 C ATOM 1157 CE1 HIS A 71 5.898 11.054 -2.308 1.00 0.00 C ATOM 1158 NE2 HIS A 71 6.919 10.249 -2.606 1.00 0.00 N ATOM 0 H HIS A 71 6.455 10.320 -6.081 1.00 0.00 H new ATOM 0 HA HIS A 71 3.968 8.931 -6.976 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.130 9.388 -4.556 1.00 0.00 H new ATOM 0 HB3 HIS A 71 4.188 8.010 -4.787 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.013 8.602 -4.060 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.942 11.844 -1.572 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.854 10.262 -2.198 1.00 0.00 H new ATOM 1167 N ALA A 72 2.857 11.176 -7.120 1.00 0.00 N ATOM 1168 CA ALA A 72 2.288 12.541 -7.335 1.00 0.00 C ATOM 1169 C ALA A 72 1.380 12.516 -8.569 1.00 0.00 C ATOM 1170 O ALA A 72 0.268 12.028 -8.521 1.00 0.00 O ATOM 1171 CB ALA A 72 3.419 13.554 -7.548 1.00 0.00 C ATOM 0 H ALA A 72 2.328 10.418 -7.552 1.00 0.00 H new ATOM 0 HA ALA A 72 1.712 12.836 -6.458 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.995 14.546 -7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.064 13.569 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.004 13.268 -8.422 1.00 0.00 H new ATOM 1177 N LYS A 73 1.844 13.034 -9.673 1.00 0.00 N ATOM 1178 CA LYS A 73 1.009 13.036 -10.909 1.00 0.00 C ATOM 1179 C LYS A 73 0.680 11.595 -11.302 1.00 0.00 C ATOM 1180 O LYS A 73 -0.361 11.312 -11.864 1.00 0.00 O ATOM 1181 CB LYS A 73 1.783 13.709 -12.046 1.00 0.00 C ATOM 1182 CG LYS A 73 2.028 15.179 -11.697 1.00 0.00 C ATOM 1183 CD LYS A 73 2.706 15.876 -12.878 1.00 0.00 C ATOM 1184 CE LYS A 73 3.063 17.312 -12.486 1.00 0.00 C ATOM 1185 NZ LYS A 73 1.868 18.185 -12.657 1.00 0.00 N ATOM 0 H LYS A 73 2.767 13.457 -9.773 1.00 0.00 H new ATOM 0 HA LYS A 73 0.085 13.584 -10.723 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.733 13.199 -12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.221 13.634 -12.977 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.084 15.671 -11.464 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.654 15.254 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.605 15.332 -13.167 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.042 15.878 -13.743 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.405 17.344 -11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.884 17.676 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.110 19.161 -12.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.561 18.163 -13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.097 17.841 -12.049 1.00 0.00 H new ATOM 1199 N TYR A 74 1.567 10.686 -11.016 1.00 0.00 N ATOM 1200 CA TYR A 74 1.332 9.257 -11.371 1.00 0.00 C ATOM 1201 C TYR A 74 -0.013 8.781 -10.811 1.00 0.00 C ATOM 1202 O TYR A 74 -0.770 8.115 -11.490 1.00 0.00 O ATOM 1203 CB TYR A 74 2.466 8.421 -10.781 1.00 0.00 C ATOM 1204 CG TYR A 74 2.015 6.996 -10.599 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.347 6.327 -11.630 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.271 6.344 -9.390 1.00 0.00 C ATOM 1207 CE1 TYR A 74 0.935 5.001 -11.448 1.00 0.00 C ATOM 1208 CE2 TYR A 74 1.861 5.023 -9.208 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.192 4.349 -10.236 1.00 0.00 C ATOM 1210 OH TYR A 74 0.787 3.042 -10.053 1.00 0.00 O ATOM 0 H TYR A 74 2.454 10.872 -10.547 1.00 0.00 H new ATOM 0 HA TYR A 74 1.307 9.147 -12.455 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.334 8.455 -11.439 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.776 8.838 -9.823 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.149 6.832 -12.564 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.787 6.863 -8.596 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.419 4.482 -12.242 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.060 4.520 -8.273 1.00 0.00 H new ATOM 0 HH TYR A 74 0.654 2.871 -9.097 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.319 9.113 -9.585 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.619 8.677 -8.988 1.00 0.00 C ATOM 1222 C ILE A 75 -2.428 9.910 -8.576 1.00 0.00 C ATOM 1223 O ILE A 75 -1.888 10.986 -8.408 1.00 0.00 O ATOM 1224 CB ILE A 75 -1.347 7.816 -7.752 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.040 8.143 -7.201 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.405 6.330 -8.126 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.215 7.466 -5.841 1.00 0.00 C ATOM 0 H ILE A 75 0.275 9.668 -8.969 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.181 8.098 -9.721 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.104 8.027 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.809 7.800 -7.893 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.159 9.222 -7.101 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.210 5.724 -7.241 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.394 6.092 -8.518 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.652 6.116 -8.885 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.204 7.697 -5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.547 7.831 -5.152 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.113 6.387 -5.956 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.717 9.753 -8.407 1.00 0.00 N ATOM 1240 CA PRO A 76 -4.619 10.861 -8.001 1.00 0.00 C ATOM 1241 C PRO A 76 -4.000 11.732 -6.908 1.00 0.00 C ATOM 1242 O PRO A 76 -2.985 11.394 -6.333 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.871 10.160 -7.458 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.697 8.690 -7.708 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.459 8.503 -8.587 1.00 0.00 C ATOM 0 HA PRO A 76 -4.826 11.527 -8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.992 10.358 -6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.767 10.532 -7.955 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -5.580 8.155 -6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.579 8.280 -8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.872 7.640 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.729 8.344 -9.631 1.00 0.00 H new ATOM 1253 N GLY A 77 -4.609 12.845 -6.607 1.00 0.00 N ATOM 1254 CA GLY A 77 -4.059 13.728 -5.540 1.00 0.00 C ATOM 1255 C GLY A 77 -4.183 13.023 -4.186 1.00 0.00 C ATOM 1256 O GLY A 77 -4.359 13.654 -3.163 1.00 0.00 O ATOM 0 H GLY A 77 -5.463 13.181 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.015 13.961 -5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.599 14.675 -5.521 1.00 0.00 H new ATOM 1260 N THR A 78 -4.099 11.717 -4.177 1.00 0.00 N ATOM 1261 CA THR A 78 -4.218 10.961 -2.896 1.00 0.00 C ATOM 1262 C THR A 78 -3.491 11.711 -1.777 1.00 0.00 C ATOM 1263 O THR A 78 -2.484 12.355 -1.996 1.00 0.00 O ATOM 1264 CB THR A 78 -3.591 9.575 -3.067 1.00 0.00 C ATOM 1265 OG1 THR A 78 -3.722 8.845 -1.855 1.00 0.00 O ATOM 1266 CG2 THR A 78 -2.110 9.722 -3.418 1.00 0.00 C ATOM 0 H THR A 78 -3.953 11.141 -5.006 1.00 0.00 H new ATOM 0 HA THR A 78 -5.272 10.861 -2.635 1.00 0.00 H new ATOM 0 HB THR A 78 -4.101 9.042 -3.870 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.039 8.143 -1.820 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.665 8.734 -3.539 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.010 10.282 -4.348 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.597 10.255 -2.617 1.00 0.00 H new ATOM 1274 N LYS A 79 -4.004 11.636 -0.579 1.00 0.00 N ATOM 1275 CA LYS A 79 -3.357 12.346 0.560 1.00 0.00 C ATOM 1276 C LYS A 79 -2.477 11.375 1.352 1.00 0.00 C ATOM 1277 O LYS A 79 -2.236 11.571 2.525 1.00 0.00 O ATOM 1278 CB LYS A 79 -4.437 12.919 1.482 1.00 0.00 C ATOM 1279 CG LYS A 79 -5.271 13.947 0.716 1.00 0.00 C ATOM 1280 CD LYS A 79 -6.268 14.609 1.670 1.00 0.00 C ATOM 1281 CE LYS A 79 -7.178 15.558 0.886 1.00 0.00 C ATOM 1282 NZ LYS A 79 -8.577 15.426 1.380 1.00 0.00 N ATOM 0 H LYS A 79 -4.846 11.112 -0.340 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.737 13.154 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.077 12.118 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.976 13.385 2.353 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.621 14.701 0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -5.802 13.462 -0.103 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -6.866 13.848 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.734 15.159 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -6.835 16.586 1.002 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.133 15.326 -0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.195 16.071 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.901 14.447 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -8.613 15.668 2.391 1.00 0.00 H new ATOM 1296 N MET A 80 -2.005 10.327 0.722 1.00 0.00 N ATOM 1297 CA MET A 80 -1.141 9.337 1.440 1.00 0.00 C ATOM 1298 C MET A 80 -0.220 10.064 2.424 1.00 0.00 C ATOM 1299 O MET A 80 0.875 10.469 2.087 1.00 0.00 O ATOM 1300 CB MET A 80 -0.297 8.563 0.423 1.00 0.00 C ATOM 1301 CG MET A 80 -0.912 7.179 0.199 1.00 0.00 C ATOM 1302 SD MET A 80 -0.719 6.187 1.702 1.00 0.00 S ATOM 1303 CE MET A 80 0.989 5.651 1.445 1.00 0.00 C ATOM 0 H MET A 80 -2.181 10.114 -0.260 1.00 0.00 H new ATOM 0 HA MET A 80 -1.775 8.643 1.992 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.251 9.109 -0.519 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.727 8.464 0.784 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.968 7.274 -0.054 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.426 6.684 -0.642 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.307 5.034 2.285 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.054 5.072 0.524 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.637 6.524 1.371 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.664 10.235 3.640 1.00 0.00 N ATOM 1314 CA ALA A 81 0.166 10.938 4.659 1.00 0.00 C ATOM 1315 C ALA A 81 1.407 10.104 4.990 1.00 0.00 C ATOM 1316 O ALA A 81 2.434 10.631 5.371 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.660 11.145 5.929 1.00 0.00 C ATOM 0 H ALA A 81 -1.573 9.915 3.973 1.00 0.00 H new ATOM 0 HA ALA A 81 0.480 11.903 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.056 11.659 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.539 11.746 5.697 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.975 10.177 6.320 1.00 0.00 H new ATOM 1323 N PHE A 82 1.320 8.810 4.860 1.00 0.00 N ATOM 1324 CA PHE A 82 2.494 7.951 5.182 1.00 0.00 C ATOM 1325 C PHE A 82 3.712 8.431 4.389 1.00 0.00 C ATOM 1326 O PHE A 82 4.810 8.501 4.904 1.00 0.00 O ATOM 1327 CB PHE A 82 2.185 6.501 4.806 1.00 0.00 C ATOM 1328 CG PHE A 82 3.293 5.601 5.303 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.243 5.087 6.604 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.369 5.279 4.465 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.266 4.252 7.068 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.392 4.444 4.929 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.339 3.930 6.230 1.00 0.00 C ATOM 0 H PHE A 82 0.488 8.310 4.545 1.00 0.00 H new ATOM 0 HA PHE A 82 2.706 8.014 6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.233 6.197 5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.085 6.409 3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.414 5.335 7.250 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.409 5.675 3.461 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.227 3.857 8.072 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.222 4.196 4.284 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.127 3.284 6.587 1.00 0.00 H new ATOM 1343 N GLY A 83 3.528 8.763 3.140 1.00 0.00 N ATOM 1344 CA GLY A 83 4.679 9.238 2.323 1.00 0.00 C ATOM 1345 C GLY A 83 5.711 8.115 2.203 1.00 0.00 C ATOM 1346 O GLY A 83 5.409 7.031 1.747 1.00 0.00 O ATOM 0 H GLY A 83 2.633 8.726 2.652 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.337 9.541 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.131 10.115 2.786 1.00 0.00 H new ATOM 1350 N GLY A 84 6.926 8.370 2.612 1.00 0.00 N ATOM 1351 CA GLY A 84 7.981 7.319 2.527 1.00 0.00 C ATOM 1352 C GLY A 84 8.416 6.919 3.937 1.00 0.00 C ATOM 1353 O GLY A 84 8.159 7.618 4.898 1.00 0.00 O ATOM 0 H GLY A 84 7.233 9.261 3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.601 6.449 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.836 7.692 1.963 1.00 0.00 H new ATOM 1357 N LEU A 85 9.068 5.795 4.070 1.00 0.00 N ATOM 1358 CA LEU A 85 9.516 5.342 5.418 1.00 0.00 C ATOM 1359 C LEU A 85 11.033 5.510 5.546 1.00 0.00 C ATOM 1360 O LEU A 85 11.789 5.085 4.696 1.00 0.00 O ATOM 1361 CB LEU A 85 9.142 3.871 5.603 1.00 0.00 C ATOM 1362 CG LEU A 85 9.576 3.388 6.986 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.934 4.260 8.066 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.122 1.939 7.176 1.00 0.00 C ATOM 0 H LEU A 85 9.310 5.170 3.301 1.00 0.00 H new ATOM 0 HA LEU A 85 9.028 5.943 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.066 3.744 5.486 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.620 3.267 4.832 1.00 0.00 H new ATOM 0 HG LEU A 85 10.661 3.454 7.067 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.247 3.910 9.050 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.248 5.295 7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.849 4.197 7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.429 1.588 8.161 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.037 1.884 7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.577 1.312 6.409 1.00 0.00 H new ATOM 1376 N LYS A 86 11.479 6.131 6.604 1.00 0.00 N ATOM 1377 CA LYS A 86 12.943 6.331 6.792 1.00 0.00 C ATOM 1378 C LYS A 86 13.652 4.975 6.836 1.00 0.00 C ATOM 1379 O LYS A 86 14.759 4.829 6.356 1.00 0.00 O ATOM 1380 CB LYS A 86 13.189 7.076 8.105 1.00 0.00 C ATOM 1381 CG LYS A 86 12.583 8.478 8.017 1.00 0.00 C ATOM 1382 CD LYS A 86 12.925 9.263 9.286 1.00 0.00 C ATOM 1383 CE LYS A 86 12.226 10.624 9.250 1.00 0.00 C ATOM 1384 NZ LYS A 86 11.946 11.075 10.642 1.00 0.00 N ATOM 0 H LYS A 86 10.891 6.509 7.347 1.00 0.00 H new ATOM 0 HA LYS A 86 13.336 6.914 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.745 6.528 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.259 7.142 8.303 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.969 8.998 7.140 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.502 8.411 7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.611 8.704 10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 86 14.004 9.399 9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.854 11.354 8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.296 10.553 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.471 12.000 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.331 10.382 11.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.840 11.158 11.166 1.00 0.00 H new ATOM 1398 N LYS A 87 13.027 3.980 7.409 1.00 0.00 N ATOM 1399 CA LYS A 87 13.678 2.641 7.480 1.00 0.00 C ATOM 1400 C LYS A 87 13.325 1.834 6.231 1.00 0.00 C ATOM 1401 O LYS A 87 12.248 1.282 6.118 1.00 0.00 O ATOM 1402 CB LYS A 87 13.183 1.900 8.724 1.00 0.00 C ATOM 1403 CG LYS A 87 13.635 2.651 9.979 1.00 0.00 C ATOM 1404 CD LYS A 87 13.243 1.851 11.223 1.00 0.00 C ATOM 1405 CE LYS A 87 13.593 2.655 12.476 1.00 0.00 C ATOM 1406 NZ LYS A 87 12.830 2.118 13.639 1.00 0.00 N ATOM 0 H LYS A 87 12.099 4.037 7.828 1.00 0.00 H new ATOM 0 HA LYS A 87 14.759 2.765 7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.096 1.822 8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.575 0.883 8.735 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.714 2.802 9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 87 13.176 3.639 10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 87 12.176 1.631 11.206 1.00 0.00 H new ATOM 0 HD3 LYS A 87 13.766 0.895 11.233 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.664 2.597 12.671 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.353 3.708 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.067 2.664 14.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.810 2.196 13.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.080 1.119 13.787 1.00 0.00 H new ATOM 1420 N GLU A 88 14.225 1.764 5.290 1.00 0.00 N ATOM 1421 CA GLU A 88 13.947 0.996 4.043 1.00 0.00 C ATOM 1422 C GLU A 88 13.854 -0.500 4.357 1.00 0.00 C ATOM 1423 O GLU A 88 13.058 -1.214 3.780 1.00 0.00 O ATOM 1424 CB GLU A 88 15.075 1.234 3.037 1.00 0.00 C ATOM 1425 CG GLU A 88 15.080 2.704 2.614 1.00 0.00 C ATOM 1426 CD GLU A 88 16.164 2.928 1.558 1.00 0.00 C ATOM 1427 OE1 GLU A 88 16.943 2.016 1.335 1.00 0.00 O ATOM 1428 OE2 GLU A 88 16.197 4.007 0.991 1.00 0.00 O ATOM 0 H GLU A 88 15.143 2.206 5.330 1.00 0.00 H new ATOM 0 HA GLU A 88 13.000 1.332 3.621 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.035 0.969 3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.940 0.594 2.165 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.105 2.981 2.214 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.263 3.342 3.479 1.00 0.00 H new ATOM 1435 N LYS A 89 14.663 -0.986 5.261 1.00 0.00 N ATOM 1436 CA LYS A 89 14.613 -2.439 5.593 1.00 0.00 C ATOM 1437 C LYS A 89 13.217 -2.796 6.102 1.00 0.00 C ATOM 1438 O LYS A 89 12.585 -3.718 5.624 1.00 0.00 O ATOM 1439 CB LYS A 89 15.647 -2.750 6.677 1.00 0.00 C ATOM 1440 CG LYS A 89 15.695 -4.260 6.921 1.00 0.00 C ATOM 1441 CD LYS A 89 16.684 -4.563 8.049 1.00 0.00 C ATOM 1442 CE LYS A 89 16.856 -6.077 8.185 1.00 0.00 C ATOM 1443 NZ LYS A 89 17.452 -6.623 6.934 1.00 0.00 N ATOM 0 H LYS A 89 15.352 -0.443 5.781 1.00 0.00 H new ATOM 0 HA LYS A 89 14.835 -3.024 4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.629 -2.389 6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.389 -2.230 7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.703 -4.628 7.184 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.996 -4.777 6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.646 -4.095 7.839 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.322 -4.142 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.497 -6.306 9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.892 -6.548 8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 17.951 -7.511 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.698 -6.806 6.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 18.124 -5.934 6.540 1.00 0.00 H new ATOM 1457 N ASP A 90 12.726 -2.063 7.058 1.00 0.00 N ATOM 1458 CA ASP A 90 11.367 -2.347 7.586 1.00 0.00 C ATOM 1459 C ASP A 90 10.349 -2.119 6.472 1.00 0.00 C ATOM 1460 O ASP A 90 9.372 -2.830 6.350 1.00 0.00 O ATOM 1461 CB ASP A 90 11.071 -1.406 8.756 1.00 0.00 C ATOM 1462 CG ASP A 90 12.012 -1.725 9.920 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.649 -2.764 9.872 1.00 0.00 O ATOM 1464 OD2 ASP A 90 12.078 -0.925 10.837 1.00 0.00 O ATOM 0 H ASP A 90 13.208 -1.278 7.497 1.00 0.00 H new ATOM 0 HA ASP A 90 11.308 -3.379 7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.200 -0.370 8.444 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.034 -1.517 9.072 1.00 0.00 H new ATOM 1469 N ARG A 91 10.578 -1.127 5.657 1.00 0.00 N ATOM 1470 CA ARG A 91 9.634 -0.837 4.545 1.00 0.00 C ATOM 1471 C ARG A 91 9.503 -2.065 3.644 1.00 0.00 C ATOM 1472 O ARG A 91 8.428 -2.404 3.197 1.00 0.00 O ATOM 1473 CB ARG A 91 10.165 0.338 3.724 1.00 0.00 C ATOM 1474 CG ARG A 91 9.128 0.741 2.674 1.00 0.00 C ATOM 1475 CD ARG A 91 9.650 1.936 1.874 1.00 0.00 C ATOM 1476 NE ARG A 91 10.791 1.500 1.020 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.687 2.367 0.636 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.587 3.616 1.000 1.00 0.00 N ATOM 1479 NH2 ARG A 91 12.687 1.984 -0.112 1.00 0.00 N ATOM 0 H ARG A 91 11.383 -0.503 5.715 1.00 0.00 H new ATOM 0 HA ARG A 91 8.657 -0.587 4.958 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.382 1.183 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.101 0.062 3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.926 -0.097 2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.186 0.997 3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.854 2.348 1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.970 2.729 2.550 1.00 0.00 H new ATOM 0 HE ARG A 91 10.871 0.524 0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.807 3.916 1.586 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.288 4.293 0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.767 1.007 -0.396 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.388 2.661 -0.413 1.00 0.00 H new ATOM 1493 N ASN A 92 10.588 -2.734 3.369 1.00 0.00 N ATOM 1494 CA ASN A 92 10.512 -3.931 2.492 1.00 0.00 C ATOM 1495 C ASN A 92 9.548 -4.946 3.104 1.00 0.00 C ATOM 1496 O ASN A 92 8.694 -5.489 2.433 1.00 0.00 O ATOM 1497 CB ASN A 92 11.902 -4.553 2.369 1.00 0.00 C ATOM 1498 CG ASN A 92 12.861 -3.540 1.741 1.00 0.00 C ATOM 1499 OD1 ASN A 92 13.984 -3.395 2.180 1.00 0.00 O ATOM 1500 ND2 ASN A 92 12.461 -2.826 0.724 1.00 0.00 N ATOM 0 H ASN A 92 11.520 -2.503 3.713 1.00 0.00 H new ATOM 0 HA ASN A 92 10.154 -3.642 1.504 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.266 -4.853 3.352 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.856 -5.454 1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 92 13.092 -2.147 0.298 1.00 0.00 H new ATOM 0 HD22 ASN A 92 11.518 -2.948 0.355 1.00 0.00 H new ATOM 1507 N ASP A 93 9.665 -5.194 4.376 1.00 0.00 N ATOM 1508 CA ASP A 93 8.745 -6.162 5.030 1.00 0.00 C ATOM 1509 C ASP A 93 7.313 -5.633 4.938 1.00 0.00 C ATOM 1510 O ASP A 93 6.368 -6.381 4.786 1.00 0.00 O ATOM 1511 CB ASP A 93 9.141 -6.320 6.498 1.00 0.00 C ATOM 1512 CG ASP A 93 10.513 -6.992 6.589 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.970 -7.498 5.578 1.00 0.00 O ATOM 1514 OD2 ASP A 93 11.082 -6.989 7.668 1.00 0.00 O ATOM 0 H ASP A 93 10.358 -4.768 4.992 1.00 0.00 H new ATOM 0 HA ASP A 93 8.808 -7.129 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.169 -5.345 6.985 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.396 -6.917 7.024 1.00 0.00 H new ATOM 1519 N LEU A 94 7.154 -4.343 5.037 1.00 0.00 N ATOM 1520 CA LEU A 94 5.794 -3.740 4.967 1.00 0.00 C ATOM 1521 C LEU A 94 5.124 -4.117 3.646 1.00 0.00 C ATOM 1522 O LEU A 94 3.972 -4.501 3.605 1.00 0.00 O ATOM 1523 CB LEU A 94 5.936 -2.221 5.037 1.00 0.00 C ATOM 1524 CG LEU A 94 4.560 -1.570 5.166 1.00 0.00 C ATOM 1525 CD1 LEU A 94 3.905 -2.011 6.474 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.727 -0.050 5.172 1.00 0.00 C ATOM 0 H LEU A 94 7.914 -3.675 5.164 1.00 0.00 H new ATOM 0 HA LEU A 94 5.186 -4.108 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.559 -1.945 5.888 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.438 -1.853 4.142 1.00 0.00 H new ATOM 0 HG LEU A 94 3.932 -1.872 4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.923 -1.546 6.564 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.794 -3.095 6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.529 -1.707 7.314 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.749 0.423 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.353 0.244 6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.198 0.268 4.242 1.00 0.00 H new ATOM 1538 N ILE A 95 5.841 -4.005 2.565 1.00 0.00 N ATOM 1539 CA ILE A 95 5.258 -4.347 1.241 1.00 0.00 C ATOM 1540 C ILE A 95 4.850 -5.820 1.224 1.00 0.00 C ATOM 1541 O ILE A 95 3.825 -6.184 0.683 1.00 0.00 O ATOM 1542 CB ILE A 95 6.305 -4.099 0.155 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.836 -2.665 0.255 1.00 0.00 C ATOM 1544 CG2 ILE A 95 5.666 -4.303 -1.212 1.00 0.00 C ATOM 1545 CD1 ILE A 95 5.666 -1.682 0.329 1.00 0.00 C ATOM 0 H ILE A 95 6.811 -3.690 2.542 1.00 0.00 H new ATOM 0 HA ILE A 95 4.380 -3.728 1.058 1.00 0.00 H new ATOM 0 HB ILE A 95 7.132 -4.797 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.466 -2.562 1.139 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.460 -2.437 -0.609 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.408 -4.127 -1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.293 -5.324 -1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.839 -3.604 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.050 -0.664 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.054 -1.777 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.060 -1.903 1.208 1.00 0.00 H new ATOM 1557 N THR A 96 5.647 -6.669 1.805 1.00 0.00 N ATOM 1558 CA THR A 96 5.313 -8.121 1.816 1.00 0.00 C ATOM 1559 C THR A 96 3.947 -8.337 2.473 1.00 0.00 C ATOM 1560 O THR A 96 3.159 -9.149 2.031 1.00 0.00 O ATOM 1561 CB THR A 96 6.384 -8.882 2.601 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.667 -8.556 2.085 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.145 -10.386 2.468 1.00 0.00 C ATOM 0 H THR A 96 6.518 -6.421 2.274 1.00 0.00 H new ATOM 0 HA THR A 96 5.278 -8.490 0.791 1.00 0.00 H new ATOM 0 HB THR A 96 6.333 -8.601 3.653 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.989 -7.732 2.506 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.908 -10.927 3.027 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.160 -10.634 2.864 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.195 -10.671 1.417 1.00 0.00 H new ATOM 1571 N TYR A 97 3.659 -7.623 3.529 1.00 0.00 N ATOM 1572 CA TYR A 97 2.345 -7.804 4.211 1.00 0.00 C ATOM 1573 C TYR A 97 1.199 -7.472 3.250 1.00 0.00 C ATOM 1574 O TYR A 97 0.209 -8.173 3.191 1.00 0.00 O ATOM 1575 CB TYR A 97 2.265 -6.885 5.430 1.00 0.00 C ATOM 1576 CG TYR A 97 0.957 -7.129 6.144 1.00 0.00 C ATOM 1577 CD1 TYR A 97 0.856 -8.160 7.086 1.00 0.00 C ATOM 1578 CD2 TYR A 97 -0.155 -6.329 5.860 1.00 0.00 C ATOM 1579 CE1 TYR A 97 -0.358 -8.390 7.744 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -1.369 -6.559 6.518 1.00 0.00 C ATOM 1581 CZ TYR A 97 -1.471 -7.589 7.460 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.668 -7.815 8.109 1.00 0.00 O ATOM 0 H TYR A 97 4.274 -6.925 3.947 1.00 0.00 H new ATOM 0 HA TYR A 97 2.256 -8.843 4.529 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.102 -7.076 6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.336 -5.842 5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.714 -8.778 7.305 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.077 -5.534 5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.436 -9.185 8.471 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -2.227 -5.941 6.299 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.258 -7.042 7.985 1.00 0.00 H new ATOM 1592 N LEU A 98 1.318 -6.412 2.497 1.00 0.00 N ATOM 1593 CA LEU A 98 0.224 -6.052 1.549 1.00 0.00 C ATOM 1594 C LEU A 98 -0.016 -7.209 0.589 1.00 0.00 C ATOM 1595 O LEU A 98 -1.140 -7.517 0.247 1.00 0.00 O ATOM 1596 CB LEU A 98 0.605 -4.794 0.770 1.00 0.00 C ATOM 1597 CG LEU A 98 -0.068 -3.572 1.408 1.00 0.00 C ATOM 1598 CD1 LEU A 98 0.108 -3.607 2.928 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.569 -2.299 0.854 1.00 0.00 C ATOM 0 H LEU A 98 2.121 -5.783 2.497 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.690 -5.855 2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.688 -4.667 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.296 -4.891 -0.271 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.132 -3.587 1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.374 -2.735 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.347 -4.514 3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.170 -3.597 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.093 -1.428 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.634 -2.293 1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.435 -2.266 -0.227 1.00 0.00 H new ATOM 1611 N LYS A 99 1.019 -7.873 0.169 1.00 0.00 N ATOM 1612 CA LYS A 99 0.814 -9.025 -0.742 1.00 0.00 C ATOM 1613 C LYS A 99 -0.134 -9.994 -0.042 1.00 0.00 C ATOM 1614 O LYS A 99 -1.041 -10.539 -0.637 1.00 0.00 O ATOM 1615 CB LYS A 99 2.153 -9.716 -1.008 1.00 0.00 C ATOM 1616 CG LYS A 99 1.989 -10.742 -2.130 1.00 0.00 C ATOM 1617 CD LYS A 99 3.188 -11.692 -2.135 1.00 0.00 C ATOM 1618 CE LYS A 99 4.458 -10.920 -2.504 1.00 0.00 C ATOM 1619 NZ LYS A 99 5.223 -11.682 -3.531 1.00 0.00 N ATOM 0 H LYS A 99 1.988 -7.671 0.414 1.00 0.00 H new ATOM 0 HA LYS A 99 0.399 -8.697 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.906 -8.978 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.506 -10.207 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.066 -11.305 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.910 -10.235 -3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.303 -12.153 -1.154 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.022 -12.499 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.198 -9.933 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.073 -10.766 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.215 -11.371 -3.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.177 -12.698 -3.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.811 -11.509 -4.470 1.00 0.00 H new ATOM 1633 N LYS A 100 0.063 -10.191 1.233 1.00 0.00 N ATOM 1634 CA LYS A 100 -0.831 -11.100 1.997 1.00 0.00 C ATOM 1635 C LYS A 100 -2.224 -10.474 2.094 1.00 0.00 C ATOM 1636 O LYS A 100 -3.227 -11.154 2.014 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.264 -11.312 3.403 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.104 -12.358 4.138 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.477 -12.651 5.504 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.603 -11.418 6.401 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.482 -11.830 7.828 1.00 0.00 N ATOM 0 H LYS A 100 0.808 -9.759 1.779 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.898 -12.061 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.774 -11.640 3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.270 -10.372 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.124 -11.996 4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.161 -13.273 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.973 -13.503 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.572 -12.920 5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.173 -10.693 6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.562 -10.928 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.188 -11.321 8.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.646 -12.854 7.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.472 -11.603 8.175 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.295 -9.179 2.273 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.623 -8.518 2.382 1.00 0.00 C ATOM 1657 C ALA A 101 -4.351 -8.604 1.041 1.00 0.00 C ATOM 1658 O ALA A 101 -5.565 -8.619 0.984 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.440 -7.049 2.781 1.00 0.00 C ATOM 0 H ALA A 101 -1.491 -8.556 2.348 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.215 -9.023 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.415 -6.569 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.930 -6.994 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.844 -6.538 2.025 1.00 0.00 H new ATOM 1665 N THR A 102 -3.624 -8.662 -0.041 1.00 0.00 N ATOM 1666 CA THR A 102 -4.285 -8.747 -1.373 1.00 0.00 C ATOM 1667 C THR A 102 -5.182 -9.987 -1.412 1.00 0.00 C ATOM 1668 O THR A 102 -6.248 -9.974 -1.996 1.00 0.00 O ATOM 1669 CB THR A 102 -3.220 -8.823 -2.476 1.00 0.00 C ATOM 1670 OG1 THR A 102 -3.659 -8.075 -3.598 1.00 0.00 O ATOM 1671 CG2 THR A 102 -2.983 -10.276 -2.903 1.00 0.00 C ATOM 0 H THR A 102 -2.604 -8.654 -0.060 1.00 0.00 H new ATOM 0 HA THR A 102 -4.895 -7.859 -1.539 1.00 0.00 H new ATOM 0 HB THR A 102 -2.286 -8.415 -2.090 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.932 -7.498 -3.911 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.225 -10.306 -3.685 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.643 -10.856 -2.045 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.913 -10.700 -3.282 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.760 -11.056 -0.797 1.00 0.00 N ATOM 1680 CA GLU A 103 -5.589 -12.295 -0.801 1.00 0.00 C ATOM 1681 C GLU A 103 -5.973 -12.646 -2.240 1.00 0.00 C ATOM 1682 O GLU A 103 -6.199 -13.793 -2.569 1.00 0.00 O ATOM 1683 CB GLU A 103 -6.856 -12.062 0.023 1.00 0.00 C ATOM 1684 CG GLU A 103 -7.638 -13.371 0.140 1.00 0.00 C ATOM 1685 CD GLU A 103 -8.954 -13.118 0.878 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -9.202 -11.976 1.229 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -9.690 -14.069 1.081 1.00 0.00 O ATOM 0 H GLU A 103 -3.877 -11.126 -0.291 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.019 -13.116 -0.367 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -6.595 -11.693 1.015 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.474 -11.298 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -7.838 -13.777 -0.852 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -7.046 -14.113 0.675 1.00 0.00 H new TER 1694 GLU A 103 HETATM 1695 FE HEC A 104 -2.405 4.540 2.278 1.00 0.00 FE HETATM 1696 CHA HEC A 104 -3.522 4.480 -0.919 1.00 0.00 C HETATM 1697 CHB HEC A 104 -0.256 2.030 1.570 1.00 0.00 C HETATM 1698 CHC HEC A 104 -1.343 4.556 5.487 1.00 0.00 C HETATM 1699 CHD HEC A 104 -4.586 7.021 2.990 1.00 0.00 C HETATM 1700 NA HEC A 104 -1.977 3.491 0.679 1.00 0.00 N HETATM 1701 C1A HEC A 104 -2.526 3.591 -0.584 1.00 0.00 C HETATM 1702 C2A HEC A 104 -1.909 2.654 -1.506 1.00 0.00 C HETATM 1703 C3A HEC A 104 -1.064 1.906 -0.764 1.00 0.00 C HETATM 1704 C4A HEC A 104 -1.061 2.473 0.558 1.00 0.00 C HETATM 1705 CMA HEC A 104 -0.454 0.605 -1.168 1.00 0.00 C HETATM 1706 CAA HEC A 104 -1.897 2.733 -2.998 1.00 0.00 C HETATM 1707 CBA HEC A 104 -0.740 3.586 -3.520 1.00 0.00 C HETATM 1708 CGA HEC A 104 -1.190 5.044 -3.632 1.00 0.00 C HETATM 1709 O1A HEC A 104 -0.723 5.849 -2.845 1.00 0.00 O HETATM 1710 O2A HEC A 104 -1.996 5.328 -4.504 1.00 0.00 O HETATM 1711 NB HEC A 104 -1.071 3.526 3.301 1.00 0.00 N HETATM 1712 C1B HEC A 104 -0.247 2.519 2.855 1.00 0.00 C HETATM 1713 C2B HEC A 104 0.617 2.024 3.910 1.00 0.00 C HETATM 1714 C3B HEC A 104 0.201 2.641 5.057 1.00 0.00 C HETATM 1715 C4B HEC A 104 -0.771 3.634 4.642 1.00 0.00 C HETATM 1716 CMB HEC A 104 1.942 1.355 3.703 1.00 0.00 C HETATM 1717 CAB HEC A 104 0.333 2.111 6.460 1.00 0.00 C HETATM 1718 CBB HEC A 104 1.611 1.305 6.723 1.00 0.00 C HETATM 1719 NC HEC A 104 -2.845 5.576 3.874 1.00 0.00 N HETATM 1720 C1C HEC A 104 -2.300 5.466 5.132 1.00 0.00 C HETATM 1721 C2C HEC A 104 -2.876 6.419 6.043 1.00 0.00 C HETATM 1722 C3C HEC A 104 -3.877 7.028 5.371 1.00 0.00 C HETATM 1723 C4C HEC A 104 -3.794 6.562 4.011 1.00 0.00 C HETATM 1724 CMC HEC A 104 -2.257 6.897 7.313 1.00 0.00 C HETATM 1725 CAC HEC A 104 -5.031 7.733 5.988 1.00 0.00 C HETATM 1726 CBC HEC A 104 -4.783 9.229 6.189 1.00 0.00 C HETATM 1727 ND HEC A 104 -3.744 5.539 1.260 1.00 0.00 N HETATM 1728 C1D HEC A 104 -4.562 6.554 1.703 1.00 0.00 C HETATM 1729 C2D HEC A 104 -5.392 7.068 0.643 1.00 0.00 C HETATM 1730 C3D HEC A 104 -5.165 6.279 -0.432 1.00 0.00 C HETATM 1731 C4D HEC A 104 -4.095 5.386 -0.063 1.00 0.00 C HETATM 1732 CMD HEC A 104 -6.056 8.402 0.623 1.00 0.00 C HETATM 1733 CAD HEC A 104 -6.031 6.170 -1.639 1.00 0.00 C HETATM 1734 CBD HEC A 104 -5.522 7.026 -2.801 1.00 0.00 C HETATM 1735 CGD HEC A 104 -6.214 6.591 -4.094 1.00 0.00 C HETATM 1736 O1D HEC A 104 -5.516 6.187 -5.010 1.00 0.00 O HETATM 1737 O2D HEC A 104 -7.430 6.672 -4.147 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -6.736 8.483 1.471 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 -5.301 9.185 0.688 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 -6.617 8.515 -0.304 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -2.095 6.050 7.980 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -1.302 7.375 7.095 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -2.921 7.615 7.794 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 1.805 0.454 3.105 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 2.616 2.036 3.184 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 2.370 1.088 4.669 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -1.243 -0.121 -1.366 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 0.143 0.747 -2.069 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 0.184 0.237 -0.364 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -5.721 8.080 -2.606 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -4.442 6.919 -2.900 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -3.922 9.371 6.843 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 -4.587 9.698 5.225 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -5.662 9.686 6.643 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 1.641 0.443 6.057 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 2.482 1.935 6.541 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 1.620 0.964 7.758 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 0.115 3.509 -2.848 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.414 3.219 -4.493 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 -6.081 5.128 -1.954 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 -7.046 6.475 -1.384 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 -1.822 1.728 -3.413 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 -2.841 3.152 -3.346 1.00 0.00 H new HETATM 0 HHD HEC A 104 -5.290 7.820 3.221 1.00 0.00 H new HETATM 0 HHC HEC A 104 -1.006 4.562 6.524 1.00 0.00 H new HETATM 0 HHB HEC A 104 0.437 1.221 1.339 1.00 0.00 H new HETATM 0 HHA HEC A 104 -3.885 4.463 -1.947 1.00 0.00 H new