USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 33 HIS HD1 : A 33 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 80 HIS HD1 : A 80 HIS ND1 : A 701 ZNZN :(H bumps) USER MOD Set 1.1: A 42 THR OG1 : rot 165:sc= -0.445 USER MOD Set 1.2: A 45 LYS NZ :NH3+ -119:sc= -0.44 (180deg=-3.06!) USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 50 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -6:sc= 0.317 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0394 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.866 F(o=-3.8!,f=-0.87) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -3.96! C(o=-4!,f=-5.3!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -2.94! C(o=-2.9!,f=-3.8!) USER MOD Single : A 31 HIS :FLIP no HE2:sc= -4.88! C(o=-5.7!,f=-4.9!) USER MOD Single : A 32 TYR OH : rot 141:sc= 0.34 USER MOD Single : A 35 MET CE :methyl -132:sc= -0.205 (180deg=-1.18) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= -0.467 (180deg=-0.482) USER MOD Single : A 58 GLN : amide:sc= -0.733 K(o=-0.73,f=-1.8) USER MOD Single : A 59 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.028) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 148:sc= -0.0812 (180deg=-0.759) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= -0.0015 (180deg=-0.0552) USER MOD Single : A 79 TYR OH : rot 165:sc= -2.04 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0451 USER MOD Single : A 85 GLN : amide:sc= -0.0606 K(o=-0.061,f=-0.89) USER MOD Single : A 88 MET CE :methyl -172:sc= -3.62! (180deg=-3.8!) USER MOD Single : A 89 LYS NZ :NH3+ 155:sc= -0.201 (180deg=-0.786) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -168:sc=-0.00785 (180deg=-0.158) USER MOD Single : A 100 ASN : amide:sc=-0.000111 X(o=-0.00011,f=0) USER MOD Single : A 104 CYS SG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -56:sc= 0.114 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.078 7.891 5.358 1.00 0.00 N ATOM 2 CA GLY A 1 -34.689 6.843 6.284 1.00 0.00 C ATOM 3 C GLY A 1 -33.612 5.939 5.718 1.00 0.00 C ATOM 4 O GLY A 1 -33.835 5.239 4.730 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.816 8.481 5.792 1.00 0.00 H new ATOM 0 H2 GLY A 1 -34.251 8.480 5.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.446 7.463 4.484 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.331 7.295 7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -35.564 6.245 6.539 1.00 0.00 H new ATOM 8 N SER A 2 -32.440 5.954 6.344 1.00 0.00 N ATOM 9 CA SER A 2 -31.322 5.133 5.893 1.00 0.00 C ATOM 10 C SER A 2 -31.241 5.115 4.370 1.00 0.00 C ATOM 11 O SER A 2 -30.996 4.072 3.763 1.00 0.00 O ATOM 12 CB SER A 2 -31.463 3.706 6.425 1.00 0.00 C ATOM 13 OG SER A 2 -32.610 3.071 5.885 1.00 0.00 O ATOM 0 H SER A 2 -32.240 6.525 7.165 1.00 0.00 H new ATOM 0 HA SER A 2 -30.402 5.569 6.283 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.572 3.131 6.172 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.532 3.725 7.513 1.00 0.00 H new ATOM 0 HG SER A 2 -33.126 3.718 5.360 1.00 0.00 H new ATOM 19 N SER A 3 -31.448 6.277 3.759 1.00 0.00 N ATOM 20 CA SER A 3 -31.403 6.395 2.306 1.00 0.00 C ATOM 21 C SER A 3 -29.980 6.201 1.789 1.00 0.00 C ATOM 22 O SER A 3 -29.742 5.411 0.877 1.00 0.00 O ATOM 23 CB SER A 3 -31.935 7.761 1.867 1.00 0.00 C ATOM 24 OG SER A 3 -31.227 8.812 2.502 1.00 0.00 O ATOM 0 H SER A 3 -31.648 7.150 4.247 1.00 0.00 H new ATOM 0 HA SER A 3 -32.035 5.614 1.883 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.845 7.859 0.785 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.996 7.836 2.107 1.00 0.00 H new ATOM 0 HG SER A 3 -31.585 9.674 2.204 1.00 0.00 H new ATOM 30 N GLY A 4 -29.038 6.930 2.380 1.00 0.00 N ATOM 31 CA GLY A 4 -27.651 6.824 1.967 1.00 0.00 C ATOM 32 C GLY A 4 -27.038 5.487 2.332 1.00 0.00 C ATOM 33 O GLY A 4 -26.697 5.247 3.490 1.00 0.00 O ATOM 0 H GLY A 4 -29.211 7.592 3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.584 6.969 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.075 7.624 2.432 1.00 0.00 H new ATOM 37 N SER A 5 -26.897 4.612 1.341 1.00 0.00 N ATOM 38 CA SER A 5 -26.326 3.289 1.564 1.00 0.00 C ATOM 39 C SER A 5 -24.810 3.371 1.720 1.00 0.00 C ATOM 40 O SER A 5 -24.172 4.293 1.212 1.00 0.00 O ATOM 41 CB SER A 5 -26.681 2.355 0.406 1.00 0.00 C ATOM 42 OG SER A 5 -26.131 2.823 -0.814 1.00 0.00 O ATOM 0 H SER A 5 -27.171 4.796 0.376 1.00 0.00 H new ATOM 0 HA SER A 5 -26.748 2.889 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.308 1.353 0.616 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.765 2.279 0.315 1.00 0.00 H new ATOM 0 HG SER A 5 -26.371 2.208 -1.538 1.00 0.00 H new ATOM 48 N SER A 6 -24.241 2.400 2.426 1.00 0.00 N ATOM 49 CA SER A 6 -22.801 2.363 2.653 1.00 0.00 C ATOM 50 C SER A 6 -22.040 2.494 1.338 1.00 0.00 C ATOM 51 O SER A 6 -22.361 1.830 0.353 1.00 0.00 O ATOM 52 CB SER A 6 -22.408 1.062 3.356 1.00 0.00 C ATOM 53 OG SER A 6 -22.583 1.167 4.759 1.00 0.00 O ATOM 0 H SER A 6 -24.755 1.628 2.851 1.00 0.00 H new ATOM 0 HA SER A 6 -22.537 3.207 3.291 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.012 0.240 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.368 0.824 3.133 1.00 0.00 H new ATOM 0 HG SER A 6 -22.327 0.322 5.185 1.00 0.00 H new ATOM 59 N GLY A 7 -21.028 3.356 1.330 1.00 0.00 N ATOM 60 CA GLY A 7 -20.236 3.560 0.131 1.00 0.00 C ATOM 61 C GLY A 7 -18.928 2.796 0.163 1.00 0.00 C ATOM 62 O GLY A 7 -18.919 1.571 0.283 1.00 0.00 O ATOM 0 H GLY A 7 -20.742 3.917 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -20.814 3.249 -0.739 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.029 4.624 0.013 1.00 0.00 H new ATOM 66 N ALA A 8 -17.819 3.520 0.055 1.00 0.00 N ATOM 67 CA ALA A 8 -16.498 2.903 0.074 1.00 0.00 C ATOM 68 C ALA A 8 -16.118 2.461 1.483 1.00 0.00 C ATOM 69 O ALA A 8 -15.687 3.272 2.302 1.00 0.00 O ATOM 70 CB ALA A 8 -15.458 3.865 -0.479 1.00 0.00 C ATOM 0 H ALA A 8 -17.809 4.535 -0.047 1.00 0.00 H new ATOM 0 HA ALA A 8 -16.529 2.017 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -14.477 3.391 -0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.714 4.126 -1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -15.437 4.768 0.131 1.00 0.00 H new ATOM 76 N ASN A 9 -16.281 1.171 1.758 1.00 0.00 N ATOM 77 CA ASN A 9 -15.956 0.623 3.070 1.00 0.00 C ATOM 78 C ASN A 9 -14.665 -0.189 3.015 1.00 0.00 C ATOM 79 O ASN A 9 -14.145 -0.476 1.937 1.00 0.00 O ATOM 80 CB ASN A 9 -17.102 -0.254 3.577 1.00 0.00 C ATOM 81 CG ASN A 9 -18.305 0.560 4.014 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.638 0.482 5.297 1.00 0.00 O flip ATOM 83 ND2 ASN A 9 -18.926 1.252 3.207 1.00 0.00 N flip ATOM 0 H ASN A 9 -16.636 0.486 1.091 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.812 1.455 3.759 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.402 -0.946 2.790 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.751 -0.857 4.415 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.634 1.282 2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.732 1.795 3.515 1.00 0.00 H new ATOM 90 N CYS A 10 -14.154 -0.556 4.185 1.00 0.00 N ATOM 91 CA CYS A 10 -12.925 -1.335 4.272 1.00 0.00 C ATOM 92 C CYS A 10 -13.001 -2.573 3.383 1.00 0.00 C ATOM 93 O CYS A 10 -14.046 -3.214 3.282 1.00 0.00 O ATOM 94 CB CYS A 10 -12.661 -1.750 5.721 1.00 0.00 C ATOM 95 SG CYS A 10 -10.984 -2.399 6.015 1.00 0.00 S ATOM 0 H CYS A 10 -14.572 -0.326 5.087 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.103 -0.710 3.924 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.825 -0.890 6.370 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.388 -2.509 6.009 1.00 0.00 H new ATOM 100 N ALA A 11 -11.885 -2.902 2.741 1.00 0.00 N ATOM 101 CA ALA A 11 -11.824 -4.064 1.862 1.00 0.00 C ATOM 102 C ALA A 11 -11.362 -5.303 2.621 1.00 0.00 C ATOM 103 O ALA A 11 -11.168 -6.367 2.033 1.00 0.00 O ATOM 104 CB ALA A 11 -10.899 -3.788 0.686 1.00 0.00 C ATOM 0 H ALA A 11 -11.011 -2.381 2.813 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.828 -4.255 1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.863 -4.664 0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.273 -2.934 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.897 -3.568 1.055 1.00 0.00 H new ATOM 110 N VAL A 12 -11.186 -5.157 3.931 1.00 0.00 N ATOM 111 CA VAL A 12 -10.746 -6.265 4.771 1.00 0.00 C ATOM 112 C VAL A 12 -11.855 -6.710 5.718 1.00 0.00 C ATOM 113 O VAL A 12 -12.229 -7.882 5.747 1.00 0.00 O ATOM 114 CB VAL A 12 -9.502 -5.885 5.595 1.00 0.00 C ATOM 115 CG1 VAL A 12 -9.098 -7.031 6.511 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.354 -5.494 4.677 1.00 0.00 C ATOM 0 H VAL A 12 -11.341 -4.283 4.433 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.491 -7.088 4.103 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.748 -5.024 6.217 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.217 -6.744 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.918 -7.258 7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.869 -7.912 5.912 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.483 -5.228 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.105 -6.333 4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.650 -4.640 4.068 1.00 0.00 H new ATOM 126 N CYS A 13 -12.377 -5.765 6.494 1.00 0.00 N ATOM 127 CA CYS A 13 -13.443 -6.058 7.444 1.00 0.00 C ATOM 128 C CYS A 13 -14.809 -5.739 6.843 1.00 0.00 C ATOM 129 O CYS A 13 -15.813 -6.361 7.192 1.00 0.00 O ATOM 130 CB CYS A 13 -13.241 -5.257 8.732 1.00 0.00 C ATOM 131 SG CYS A 13 -13.456 -3.460 8.532 1.00 0.00 S ATOM 0 H CYS A 13 -12.078 -4.790 6.483 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.407 -7.122 7.676 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.945 -5.615 9.484 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.239 -5.452 9.115 1.00 0.00 H new ATOM 136 N ASP A 14 -14.839 -4.766 5.939 1.00 0.00 N ATOM 137 CA ASP A 14 -16.081 -4.365 5.288 1.00 0.00 C ATOM 138 C ASP A 14 -16.961 -3.564 6.243 1.00 0.00 C ATOM 139 O ASP A 14 -18.158 -3.822 6.364 1.00 0.00 O ATOM 140 CB ASP A 14 -16.839 -5.595 4.787 1.00 0.00 C ATOM 141 CG ASP A 14 -17.855 -5.252 3.714 1.00 0.00 C ATOM 142 OD1 ASP A 14 -19.003 -4.914 4.071 1.00 0.00 O ATOM 143 OD2 ASP A 14 -17.501 -5.321 2.519 1.00 0.00 O ATOM 0 H ASP A 14 -14.018 -4.240 5.640 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.829 -3.732 4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.128 -6.320 4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.347 -6.071 5.625 1.00 0.00 H new ATOM 148 N SER A 15 -16.358 -2.593 6.920 1.00 0.00 N ATOM 149 CA SER A 15 -17.085 -1.757 7.869 1.00 0.00 C ATOM 150 C SER A 15 -16.689 -0.292 7.717 1.00 0.00 C ATOM 151 O SER A 15 -15.543 0.040 7.412 1.00 0.00 O ATOM 152 CB SER A 15 -16.819 -2.224 9.301 1.00 0.00 C ATOM 153 OG SER A 15 -17.610 -3.354 9.625 1.00 0.00 O ATOM 0 H SER A 15 -15.368 -2.365 6.830 1.00 0.00 H new ATOM 0 HA SER A 15 -18.150 -1.851 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.763 -2.470 9.416 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.035 -1.413 9.997 1.00 0.00 H new ATOM 0 HG SER A 15 -17.420 -3.634 10.545 1.00 0.00 H new ATOM 159 N PRO A 16 -17.659 0.609 7.934 1.00 0.00 N ATOM 160 CA PRO A 16 -17.436 2.054 7.828 1.00 0.00 C ATOM 161 C PRO A 16 -16.554 2.588 8.951 1.00 0.00 C ATOM 162 O PRO A 16 -15.640 3.377 8.714 1.00 0.00 O ATOM 163 CB PRO A 16 -18.847 2.638 7.932 1.00 0.00 C ATOM 164 CG PRO A 16 -19.625 1.618 8.689 1.00 0.00 C ATOM 165 CD PRO A 16 -19.048 0.285 8.301 1.00 0.00 C ATOM 0 HA PRO A 16 -16.916 2.320 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.841 3.597 8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.277 2.812 6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.541 1.782 9.763 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.685 1.672 8.440 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.090 -0.427 9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.591 -0.161 7.467 1.00 0.00 H new ATOM 173 N GLY A 17 -16.834 2.153 10.176 1.00 0.00 N ATOM 174 CA GLY A 17 -16.056 2.598 11.317 1.00 0.00 C ATOM 175 C GLY A 17 -15.584 4.031 11.174 1.00 0.00 C ATOM 176 O GLY A 17 -16.388 4.963 11.207 1.00 0.00 O ATOM 0 H GLY A 17 -17.586 1.500 10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.658 2.506 12.221 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.192 1.945 11.441 1.00 0.00 H new ATOM 180 N ASP A 18 -14.277 4.209 11.015 1.00 0.00 N ATOM 181 CA ASP A 18 -13.699 5.540 10.867 1.00 0.00 C ATOM 182 C ASP A 18 -13.147 5.738 9.459 1.00 0.00 C ATOM 183 O ASP A 18 -12.612 4.808 8.854 1.00 0.00 O ATOM 184 CB ASP A 18 -12.590 5.755 11.898 1.00 0.00 C ATOM 185 CG ASP A 18 -13.133 6.157 13.256 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.803 7.207 13.340 1.00 0.00 O ATOM 187 OD2 ASP A 18 -12.886 5.422 14.235 1.00 0.00 O ATOM 0 H ASP A 18 -13.598 3.449 10.985 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.488 6.273 11.035 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.009 4.838 11.999 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.909 6.527 11.539 1.00 0.00 H new ATOM 192 N LEU A 19 -13.281 6.955 8.942 1.00 0.00 N ATOM 193 CA LEU A 19 -12.796 7.276 7.605 1.00 0.00 C ATOM 194 C LEU A 19 -11.369 7.813 7.657 1.00 0.00 C ATOM 195 O LEU A 19 -10.493 7.350 6.925 1.00 0.00 O ATOM 196 CB LEU A 19 -13.715 8.302 6.940 1.00 0.00 C ATOM 197 CG LEU A 19 -15.053 7.769 6.423 1.00 0.00 C ATOM 198 CD1 LEU A 19 -14.829 6.735 5.331 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.867 7.176 7.564 1.00 0.00 C ATOM 0 H LEU A 19 -13.722 7.735 9.429 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.798 6.359 7.015 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.916 9.098 7.657 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.179 8.753 6.105 1.00 0.00 H new ATOM 0 HG LEU A 19 -15.614 8.601 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.791 6.367 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.287 7.192 4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -14.248 5.904 5.731 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.815 6.802 7.178 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.312 6.356 8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -16.058 7.945 8.313 1.00 0.00 H new ATOM 211 N LEU A 20 -11.142 8.791 8.527 1.00 0.00 N ATOM 212 CA LEU A 20 -9.821 9.390 8.677 1.00 0.00 C ATOM 213 C LEU A 20 -8.827 8.382 9.247 1.00 0.00 C ATOM 214 O LEU A 20 -7.660 8.358 8.857 1.00 0.00 O ATOM 215 CB LEU A 20 -9.896 10.618 9.585 1.00 0.00 C ATOM 216 CG LEU A 20 -10.471 11.886 8.953 1.00 0.00 C ATOM 217 CD1 LEU A 20 -10.974 12.838 10.027 1.00 0.00 C ATOM 218 CD2 LEU A 20 -9.426 12.568 8.081 1.00 0.00 C ATOM 0 H LEU A 20 -11.856 9.186 9.139 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.474 9.696 7.690 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.500 10.364 10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.892 10.840 9.947 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.314 11.604 8.323 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.379 13.734 9.558 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.754 12.349 10.610 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.149 13.114 10.684 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.852 13.469 7.639 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.563 12.836 8.690 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -9.114 11.888 7.288 1.00 0.00 H new ATOM 230 N ASP A 21 -9.299 7.552 10.170 1.00 0.00 N ATOM 231 CA ASP A 21 -8.453 6.539 10.791 1.00 0.00 C ATOM 232 C ASP A 21 -7.759 5.687 9.733 1.00 0.00 C ATOM 233 O ASP A 21 -6.552 5.456 9.803 1.00 0.00 O ATOM 234 CB ASP A 21 -9.283 5.648 11.717 1.00 0.00 C ATOM 235 CG ASP A 21 -9.719 6.370 12.977 1.00 0.00 C ATOM 236 OD1 ASP A 21 -9.876 7.608 12.927 1.00 0.00 O ATOM 237 OD2 ASP A 21 -9.902 5.697 14.013 1.00 0.00 O ATOM 0 H ASP A 21 -10.262 7.560 10.505 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.690 7.049 11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.164 5.293 11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.700 4.768 11.989 1.00 0.00 H new ATOM 242 N GLN A 22 -8.530 5.223 8.755 1.00 0.00 N ATOM 243 CA GLN A 22 -7.989 4.395 7.684 1.00 0.00 C ATOM 244 C GLN A 22 -7.455 5.258 6.546 1.00 0.00 C ATOM 245 O GLN A 22 -7.875 6.402 6.370 1.00 0.00 O ATOM 246 CB GLN A 22 -9.062 3.441 7.156 1.00 0.00 C ATOM 247 CG GLN A 22 -10.340 4.142 6.724 1.00 0.00 C ATOM 248 CD GLN A 22 -11.399 3.174 6.235 1.00 0.00 C ATOM 249 OE1 GLN A 22 -11.095 2.043 5.855 1.00 0.00 O ATOM 250 NE2 GLN A 22 -12.652 3.614 6.242 1.00 0.00 N ATOM 0 H GLN A 22 -9.531 5.406 8.682 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.163 3.812 8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.658 2.886 6.309 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.301 2.712 7.930 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.736 4.716 7.562 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.110 4.854 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -12.859 4.559 6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.407 3.007 5.924 1.00 0.00 H new ATOM 259 N PHE A 23 -6.525 4.703 5.775 1.00 0.00 N ATOM 260 CA PHE A 23 -5.932 5.422 4.654 1.00 0.00 C ATOM 261 C PHE A 23 -6.836 5.357 3.426 1.00 0.00 C ATOM 262 O PHE A 23 -7.830 4.630 3.411 1.00 0.00 O ATOM 263 CB PHE A 23 -4.556 4.843 4.319 1.00 0.00 C ATOM 264 CG PHE A 23 -3.592 4.886 5.470 1.00 0.00 C ATOM 265 CD1 PHE A 23 -3.705 3.987 6.518 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.573 5.823 5.502 1.00 0.00 C ATOM 267 CE1 PHE A 23 -2.819 4.024 7.579 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.684 5.865 6.560 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.807 4.964 7.599 1.00 0.00 C ATOM 0 H PHE A 23 -6.166 3.757 5.907 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.818 6.466 4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.675 3.810 3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.133 5.395 3.480 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.494 3.249 6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.472 6.529 4.691 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.918 3.319 8.391 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.894 6.602 6.574 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.113 4.994 8.426 1.00 0.00 H new ATOM 279 N PHE A 24 -6.485 6.123 2.398 1.00 0.00 N ATOM 280 CA PHE A 24 -7.264 6.154 1.166 1.00 0.00 C ATOM 281 C PHE A 24 -6.352 6.101 -0.056 1.00 0.00 C ATOM 282 O PHE A 24 -5.519 6.984 -0.262 1.00 0.00 O ATOM 283 CB PHE A 24 -8.129 7.415 1.117 1.00 0.00 C ATOM 284 CG PHE A 24 -8.703 7.696 -0.242 1.00 0.00 C ATOM 285 CD1 PHE A 24 -7.972 8.400 -1.186 1.00 0.00 C ATOM 286 CD2 PHE A 24 -9.973 7.254 -0.577 1.00 0.00 C ATOM 287 CE1 PHE A 24 -8.499 8.660 -2.437 1.00 0.00 C ATOM 288 CE2 PHE A 24 -10.505 7.511 -1.827 1.00 0.00 C ATOM 289 CZ PHE A 24 -9.766 8.214 -2.759 1.00 0.00 C ATOM 0 H PHE A 24 -5.666 6.731 2.394 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.911 5.277 1.152 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.944 7.315 1.833 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.530 8.269 1.433 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.980 8.749 -0.941 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -10.554 6.702 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.920 9.212 -3.163 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -11.497 7.163 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.178 8.414 -3.737 1.00 0.00 H new ATOM 299 N CYS A 25 -6.516 5.059 -0.864 1.00 0.00 N ATOM 300 CA CYS A 25 -5.708 4.888 -2.065 1.00 0.00 C ATOM 301 C CYS A 25 -6.056 5.945 -3.110 1.00 0.00 C ATOM 302 O CYS A 25 -7.175 6.460 -3.140 1.00 0.00 O ATOM 303 CB CYS A 25 -5.916 3.489 -2.650 1.00 0.00 C ATOM 304 SG CYS A 25 -4.815 3.096 -4.047 1.00 0.00 S ATOM 0 H CYS A 25 -7.202 4.320 -0.709 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.661 5.007 -1.788 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.763 2.751 -1.862 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.951 3.395 -2.979 1.00 0.00 H new ATOM 309 N THR A 26 -5.091 6.263 -3.966 1.00 0.00 N ATOM 310 CA THR A 26 -5.294 7.258 -5.012 1.00 0.00 C ATOM 311 C THR A 26 -5.535 6.595 -6.363 1.00 0.00 C ATOM 312 O THR A 26 -6.174 7.171 -7.244 1.00 0.00 O ATOM 313 CB THR A 26 -4.085 8.206 -5.127 1.00 0.00 C ATOM 314 OG1 THR A 26 -2.908 7.462 -5.459 1.00 0.00 O ATOM 315 CG2 THR A 26 -3.864 8.961 -3.824 1.00 0.00 C ATOM 0 H THR A 26 -4.160 5.846 -3.956 1.00 0.00 H new ATOM 0 HA THR A 26 -6.175 7.836 -4.732 1.00 0.00 H new ATOM 0 HB THR A 26 -4.291 8.928 -5.917 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.145 8.072 -5.532 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.005 9.624 -3.929 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.751 9.550 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.677 8.250 -3.019 1.00 0.00 H new ATOM 323 N THR A 27 -5.020 5.379 -6.521 1.00 0.00 N ATOM 324 CA THR A 27 -5.179 4.637 -7.765 1.00 0.00 C ATOM 325 C THR A 27 -6.579 4.043 -7.876 1.00 0.00 C ATOM 326 O THR A 27 -7.353 4.412 -8.759 1.00 0.00 O ATOM 327 CB THR A 27 -4.142 3.505 -7.880 1.00 0.00 C ATOM 328 OG1 THR A 27 -2.818 4.049 -7.857 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.347 2.712 -9.162 1.00 0.00 C ATOM 0 H THR A 27 -4.489 4.888 -5.802 1.00 0.00 H new ATOM 0 HA THR A 27 -5.023 5.346 -8.578 1.00 0.00 H new ATOM 0 HB THR A 27 -4.274 2.834 -7.031 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.164 3.322 -7.929 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.603 1.918 -9.221 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.345 2.275 -9.164 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.240 3.375 -10.021 1.00 0.00 H new ATOM 337 N CYS A 28 -6.898 3.122 -6.973 1.00 0.00 N ATOM 338 CA CYS A 28 -8.205 2.476 -6.968 1.00 0.00 C ATOM 339 C CYS A 28 -9.202 3.270 -6.129 1.00 0.00 C ATOM 340 O CYS A 28 -10.334 3.506 -6.549 1.00 0.00 O ATOM 341 CB CYS A 28 -8.090 1.049 -6.428 1.00 0.00 C ATOM 342 SG CYS A 28 -7.702 0.956 -4.651 1.00 0.00 S ATOM 0 H CYS A 28 -6.269 2.806 -6.235 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.568 2.441 -7.995 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.028 0.526 -6.612 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.316 0.522 -6.986 1.00 0.00 H new ATOM 347 N GLY A 29 -8.771 3.681 -4.940 1.00 0.00 N ATOM 348 CA GLY A 29 -9.637 4.444 -4.061 1.00 0.00 C ATOM 349 C GLY A 29 -10.262 3.589 -2.977 1.00 0.00 C ATOM 350 O GLY A 29 -11.412 3.804 -2.595 1.00 0.00 O ATOM 0 H GLY A 29 -7.838 3.499 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.064 5.248 -3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.426 4.912 -4.650 1.00 0.00 H new ATOM 354 N GLN A 30 -9.505 2.615 -2.483 1.00 0.00 N ATOM 355 CA GLN A 30 -9.994 1.723 -1.438 1.00 0.00 C ATOM 356 C GLN A 30 -9.594 2.231 -0.057 1.00 0.00 C ATOM 357 O GLN A 30 -8.761 3.129 0.069 1.00 0.00 O ATOM 358 CB GLN A 30 -9.451 0.309 -1.651 1.00 0.00 C ATOM 359 CG GLN A 30 -10.272 -0.517 -2.628 1.00 0.00 C ATOM 360 CD GLN A 30 -11.321 -1.365 -1.938 1.00 0.00 C ATOM 361 OE1 GLN A 30 -11.257 -2.595 -1.962 1.00 0.00 O ATOM 362 NE2 GLN A 30 -12.296 -0.711 -1.317 1.00 0.00 N ATOM 0 H GLN A 30 -8.551 2.423 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.082 1.700 -1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.426 0.374 -2.015 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.417 -0.207 -0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.760 0.149 -3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.606 -1.164 -3.200 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.310 0.309 -1.322 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.031 -1.229 -0.835 1.00 0.00 H new ATOM 371 N HIS A 31 -10.194 1.651 0.978 1.00 0.00 N ATOM 372 CA HIS A 31 -9.900 2.045 2.351 1.00 0.00 C ATOM 373 C HIS A 31 -9.413 0.852 3.167 1.00 0.00 C ATOM 374 O HIS A 31 -9.762 -0.294 2.879 1.00 0.00 O ATOM 375 CB HIS A 31 -11.141 2.654 3.006 1.00 0.00 C ATOM 376 CG HIS A 31 -11.802 3.708 2.172 1.00 0.00 C ATOM 377 ND1 HIS A 31 -11.308 4.502 1.194 1.00 0.00 N flip ATOM 378 CD2 HIS A 31 -13.133 4.045 2.302 1.00 0.00 C flip ATOM 379 CE1 HIS A 31 -12.339 5.296 0.755 1.00 0.00 C flip ATOM 380 NE2 HIS A 31 -13.429 5.000 1.439 1.00 0.00 N flip ATOM 0 H HIS A 31 -10.886 0.907 0.892 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.107 2.793 2.326 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.860 1.861 3.211 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.860 3.086 3.967 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -10.349 4.509 0.847 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -13.825 3.598 3.000 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.270 6.041 -0.023 1.00 0.00 H new ATOM 389 N TYR A 32 -8.606 1.127 4.185 1.00 0.00 N ATOM 390 CA TYR A 32 -8.069 0.075 5.040 1.00 0.00 C ATOM 391 C TYR A 32 -7.666 0.633 6.402 1.00 0.00 C ATOM 392 O TYR A 32 -6.866 1.565 6.492 1.00 0.00 O ATOM 393 CB TYR A 32 -6.864 -0.589 4.372 1.00 0.00 C ATOM 394 CG TYR A 32 -7.177 -1.192 3.021 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.178 -0.411 1.873 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.470 -2.544 2.894 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.464 -0.958 0.637 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.756 -3.100 1.662 1.00 0.00 C ATOM 399 CZ TYR A 32 -7.752 -2.303 0.537 1.00 0.00 C ATOM 400 OH TYR A 32 -8.036 -2.852 -0.693 1.00 0.00 O ATOM 0 H TYR A 32 -8.309 2.069 4.439 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.850 -0.671 5.189 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.071 0.150 4.256 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.479 -1.369 5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -6.951 0.642 1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.474 -3.171 3.773 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.462 -0.336 -0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.981 -4.153 1.581 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.628 -3.741 -0.757 1.00 0.00 H new ATOM 410 N HIS A 33 -8.226 0.056 7.460 1.00 0.00 N ATOM 411 CA HIS A 33 -7.925 0.493 8.819 1.00 0.00 C ATOM 412 C HIS A 33 -6.524 0.052 9.234 1.00 0.00 C ATOM 413 O HIS A 33 -6.054 -1.011 8.833 1.00 0.00 O ATOM 414 CB HIS A 33 -8.959 -0.064 9.797 1.00 0.00 C ATOM 415 CG HIS A 33 -10.375 0.213 9.395 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.282 -0.782 9.101 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.038 1.383 9.240 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.442 -0.237 8.781 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.321 1.076 8.858 1.00 0.00 N ATOM 0 H HIS A 33 -8.891 -0.715 7.403 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.965 1.582 8.842 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.819 -1.141 9.886 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.780 0.363 10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.633 2.373 9.389 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.337 -0.774 8.504 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.060 1.752 8.665 1.00 0.00 H new ATOM 427 N GLY A 34 -5.863 0.878 10.039 1.00 0.00 N ATOM 428 CA GLY A 34 -4.524 0.556 10.494 1.00 0.00 C ATOM 429 C GLY A 34 -4.462 -0.773 11.220 1.00 0.00 C ATOM 430 O GLY A 34 -3.387 -1.354 11.376 1.00 0.00 O ATOM 0 H GLY A 34 -6.231 1.764 10.384 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.849 0.531 9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.169 1.345 11.157 1.00 0.00 H new ATOM 434 N MET A 35 -5.616 -1.256 11.667 1.00 0.00 N ATOM 435 CA MET A 35 -5.688 -2.526 12.381 1.00 0.00 C ATOM 436 C MET A 35 -5.926 -3.681 11.413 1.00 0.00 C ATOM 437 O MET A 35 -5.302 -4.737 11.526 1.00 0.00 O ATOM 438 CB MET A 35 -6.803 -2.485 13.427 1.00 0.00 C ATOM 439 CG MET A 35 -6.475 -1.618 14.632 1.00 0.00 C ATOM 440 SD MET A 35 -5.323 -2.415 15.768 1.00 0.00 S ATOM 441 CE MET A 35 -3.781 -1.646 15.281 1.00 0.00 C ATOM 0 H MET A 35 -6.514 -0.788 11.548 1.00 0.00 H new ATOM 0 HA MET A 35 -4.734 -2.686 12.883 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.715 -2.113 12.960 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.010 -3.500 13.766 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.049 -0.675 14.291 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.396 -1.378 15.163 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.018 -2.413 15.150 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.922 -1.110 14.342 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.463 -0.946 16.054 1.00 0.00 H new ATOM 451 N CYS A 36 -6.830 -3.474 10.462 1.00 0.00 N ATOM 452 CA CYS A 36 -7.151 -4.498 9.475 1.00 0.00 C ATOM 453 C CYS A 36 -5.920 -4.861 8.649 1.00 0.00 C ATOM 454 O CYS A 36 -5.819 -5.968 8.118 1.00 0.00 O ATOM 455 CB CYS A 36 -8.273 -4.015 8.554 1.00 0.00 C ATOM 456 SG CYS A 36 -9.945 -4.225 9.247 1.00 0.00 S ATOM 0 H CYS A 36 -7.354 -2.606 10.354 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.486 -5.388 10.007 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.115 -2.961 8.328 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.212 -4.556 7.610 1.00 0.00 H new ATOM 461 N LEU A 37 -4.988 -3.921 8.543 1.00 0.00 N ATOM 462 CA LEU A 37 -3.763 -4.141 7.781 1.00 0.00 C ATOM 463 C LEU A 37 -2.550 -4.193 8.704 1.00 0.00 C ATOM 464 O LEU A 37 -1.427 -4.426 8.257 1.00 0.00 O ATOM 465 CB LEU A 37 -3.580 -3.033 6.742 1.00 0.00 C ATOM 466 CG LEU A 37 -4.238 -3.273 5.383 1.00 0.00 C ATOM 467 CD1 LEU A 37 -4.084 -2.050 4.492 1.00 0.00 C ATOM 468 CD2 LEU A 37 -3.642 -4.502 4.711 1.00 0.00 C ATOM 0 H LEU A 37 -5.056 -2.999 8.975 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.849 -5.100 7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.975 -2.105 7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.512 -2.882 6.585 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.302 -3.450 5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.558 -2.239 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.558 -1.191 4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.025 -1.842 4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.122 -4.657 3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.572 -4.354 4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.804 -5.376 5.342 1.00 0.00 H new ATOM 480 N ASP A 38 -2.784 -3.978 9.994 1.00 0.00 N ATOM 481 CA ASP A 38 -1.711 -4.004 10.981 1.00 0.00 C ATOM 482 C ASP A 38 -0.642 -2.969 10.648 1.00 0.00 C ATOM 483 O ASP A 38 0.555 -3.242 10.755 1.00 0.00 O ATOM 484 CB ASP A 38 -1.086 -5.398 11.049 1.00 0.00 C ATOM 485 CG ASP A 38 -2.098 -6.470 11.402 1.00 0.00 C ATOM 486 OD1 ASP A 38 -2.982 -6.199 12.241 1.00 0.00 O ATOM 487 OD2 ASP A 38 -2.007 -7.580 10.837 1.00 0.00 O ATOM 0 H ASP A 38 -3.708 -3.784 10.381 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.138 -3.758 11.953 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.630 -5.636 10.088 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.287 -5.399 11.790 1.00 0.00 H new ATOM 492 N ILE A 39 -1.080 -1.781 10.244 1.00 0.00 N ATOM 493 CA ILE A 39 -0.160 -0.706 9.896 1.00 0.00 C ATOM 494 C ILE A 39 -0.093 0.340 11.004 1.00 0.00 C ATOM 495 O ILE A 39 -1.099 0.651 11.640 1.00 0.00 O ATOM 496 CB ILE A 39 -0.570 -0.018 8.581 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.492 -1.008 7.417 1.00 0.00 C ATOM 498 CG2 ILE A 39 0.317 1.190 8.316 1.00 0.00 C ATOM 499 CD1 ILE A 39 -0.829 -0.393 6.076 1.00 0.00 C ATOM 0 H ILE A 39 -2.066 -1.539 10.150 1.00 0.00 H new ATOM 0 HA ILE A 39 0.822 -1.160 9.768 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.600 0.326 8.674 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.514 -1.426 7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.174 -1.837 7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.015 1.666 7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.217 1.902 9.135 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.356 0.869 8.240 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.753 -1.153 5.298 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.845 0.000 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.132 0.417 5.862 1.00 0.00 H new ATOM 511 N ALA A 40 1.101 0.881 11.228 1.00 0.00 N ATOM 512 CA ALA A 40 1.299 1.895 12.256 1.00 0.00 C ATOM 513 C ALA A 40 0.956 3.284 11.730 1.00 0.00 C ATOM 514 O ALA A 40 1.765 3.921 11.056 1.00 0.00 O ATOM 515 CB ALA A 40 2.733 1.860 12.762 1.00 0.00 C ATOM 0 H ALA A 40 1.945 0.634 10.711 1.00 0.00 H new ATOM 0 HA ALA A 40 0.627 1.673 13.085 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.867 2.623 13.529 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.946 0.878 13.185 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.416 2.054 11.935 1.00 0.00 H new ATOM 521 N VAL A 41 -0.250 3.749 12.042 1.00 0.00 N ATOM 522 CA VAL A 41 -0.701 5.064 11.601 1.00 0.00 C ATOM 523 C VAL A 41 0.330 6.137 11.932 1.00 0.00 C ATOM 524 O VAL A 41 0.611 6.406 13.101 1.00 0.00 O ATOM 525 CB VAL A 41 -2.046 5.442 12.248 1.00 0.00 C ATOM 526 CG1 VAL A 41 -2.487 6.825 11.793 1.00 0.00 C ATOM 527 CG2 VAL A 41 -3.106 4.401 11.921 1.00 0.00 C ATOM 0 H VAL A 41 -0.932 3.234 12.599 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.830 5.009 10.520 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.915 5.466 13.330 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.439 7.075 12.260 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.736 7.560 12.083 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.602 6.832 10.709 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.050 4.684 12.386 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.237 4.342 10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.791 3.429 12.301 1.00 0.00 H new ATOM 537 N THR A 42 0.892 6.750 10.895 1.00 0.00 N ATOM 538 CA THR A 42 1.892 7.795 11.074 1.00 0.00 C ATOM 539 C THR A 42 1.530 9.045 10.281 1.00 0.00 C ATOM 540 O THR A 42 0.865 8.983 9.247 1.00 0.00 O ATOM 541 CB THR A 42 3.290 7.314 10.642 1.00 0.00 C ATOM 542 OG1 THR A 42 3.314 7.083 9.229 1.00 0.00 O ATOM 543 CG2 THR A 42 3.674 6.038 11.376 1.00 0.00 C ATOM 0 H THR A 42 0.671 6.540 9.921 1.00 0.00 H new ATOM 0 HA THR A 42 1.910 8.036 12.137 1.00 0.00 H new ATOM 0 HB THR A 42 4.011 8.091 10.895 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.243 7.015 8.924 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.665 5.717 11.055 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.684 6.225 12.450 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.949 5.256 11.150 1.00 0.00 H new ATOM 551 N PRO A 43 1.976 10.210 10.775 1.00 0.00 N ATOM 552 CA PRO A 43 1.712 11.498 10.126 1.00 0.00 C ATOM 553 C PRO A 43 2.470 11.652 8.812 1.00 0.00 C ATOM 554 O PRO A 43 2.276 12.625 8.083 1.00 0.00 O ATOM 555 CB PRO A 43 2.208 12.520 11.152 1.00 0.00 C ATOM 556 CG PRO A 43 3.233 11.790 11.949 1.00 0.00 C ATOM 557 CD PRO A 43 2.774 10.359 12.003 1.00 0.00 C ATOM 0 HA PRO A 43 0.661 11.613 9.862 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.636 13.395 10.664 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.393 12.874 11.784 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.216 11.867 11.485 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.320 12.210 12.951 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.616 9.667 12.021 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.180 10.161 12.895 1.00 0.00 H new ATOM 565 N LEU A 44 3.332 10.686 8.516 1.00 0.00 N ATOM 566 CA LEU A 44 4.119 10.714 7.288 1.00 0.00 C ATOM 567 C LEU A 44 3.545 9.754 6.251 1.00 0.00 C ATOM 568 O LEU A 44 3.335 10.124 5.095 1.00 0.00 O ATOM 569 CB LEU A 44 5.576 10.350 7.584 1.00 0.00 C ATOM 570 CG LEU A 44 6.477 10.143 6.366 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.166 11.443 5.984 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.503 9.053 6.641 1.00 0.00 C ATOM 0 H LEU A 44 3.504 9.874 9.109 1.00 0.00 H new ATOM 0 HA LEU A 44 4.078 11.725 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.008 11.138 8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.588 9.437 8.179 1.00 0.00 H new ATOM 0 HG LEU A 44 5.856 9.826 5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.803 11.276 5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.415 12.196 5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.775 11.791 6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.136 8.919 5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.120 9.340 7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.989 8.118 6.864 1.00 0.00 H new ATOM 584 N LYS A 45 3.291 8.520 6.671 1.00 0.00 N ATOM 585 CA LYS A 45 2.737 7.507 5.781 1.00 0.00 C ATOM 586 C LYS A 45 1.408 7.969 5.190 1.00 0.00 C ATOM 587 O LYS A 45 1.134 7.751 4.010 1.00 0.00 O ATOM 588 CB LYS A 45 2.541 6.189 6.533 1.00 0.00 C ATOM 589 CG LYS A 45 2.466 4.974 5.624 1.00 0.00 C ATOM 590 CD LYS A 45 1.977 3.746 6.373 1.00 0.00 C ATOM 591 CE LYS A 45 2.982 3.297 7.424 1.00 0.00 C ATOM 592 NZ LYS A 45 2.835 4.061 8.694 1.00 0.00 N ATOM 0 H LYS A 45 3.460 8.197 7.624 1.00 0.00 H new ATOM 0 HA LYS A 45 3.443 7.352 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.363 6.056 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.625 6.249 7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.796 5.183 4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.450 4.775 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.023 3.966 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.800 2.934 5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.849 2.233 7.623 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.993 3.425 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.717 4.573 8.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.053 4.741 8.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.632 3.403 9.473 1.00 0.00 H new ATOM 606 N ARG A 46 0.589 8.608 6.018 1.00 0.00 N ATOM 607 CA ARG A 46 -0.711 9.101 5.577 1.00 0.00 C ATOM 608 C ARG A 46 -0.598 9.793 4.222 1.00 0.00 C ATOM 609 O ARG A 46 -1.371 9.515 3.306 1.00 0.00 O ATOM 610 CB ARG A 46 -1.290 10.070 6.610 1.00 0.00 C ATOM 611 CG ARG A 46 -1.913 9.379 7.811 1.00 0.00 C ATOM 612 CD ARG A 46 -2.602 10.374 8.732 1.00 0.00 C ATOM 613 NE ARG A 46 -1.697 11.435 9.165 1.00 0.00 N ATOM 614 CZ ARG A 46 -1.533 12.577 8.506 1.00 0.00 C ATOM 615 NH1 ARG A 46 -2.210 12.803 7.388 1.00 0.00 N ATOM 616 NH2 ARG A 46 -0.691 13.494 8.964 1.00 0.00 N ATOM 0 H ARG A 46 0.802 8.797 6.998 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.380 8.247 5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.499 10.736 6.955 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.044 10.693 6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.635 8.637 7.471 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.142 8.843 8.364 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.456 10.814 8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -2.991 9.851 9.605 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.161 11.291 10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.858 12.100 7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.083 13.680 6.883 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.168 13.323 9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -0.566 14.370 8.457 1.00 0.00 H new ATOM 630 N ALA A 47 0.369 10.697 4.103 1.00 0.00 N ATOM 631 CA ALA A 47 0.583 11.427 2.860 1.00 0.00 C ATOM 632 C ALA A 47 1.142 10.513 1.775 1.00 0.00 C ATOM 633 O ALA A 47 2.032 9.703 2.030 1.00 0.00 O ATOM 634 CB ALA A 47 1.519 12.604 3.094 1.00 0.00 C ATOM 0 H ALA A 47 1.016 10.941 4.852 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.381 11.805 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.670 13.140 2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.080 13.277 3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.478 12.239 3.462 1.00 0.00 H new ATOM 640 N GLY A 48 0.611 10.647 0.563 1.00 0.00 N ATOM 641 CA GLY A 48 1.068 9.826 -0.542 1.00 0.00 C ATOM 642 C GLY A 48 1.007 8.344 -0.228 1.00 0.00 C ATOM 643 O GLY A 48 1.985 7.622 -0.416 1.00 0.00 O ATOM 0 H GLY A 48 -0.128 11.310 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.458 10.033 -1.421 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.093 10.099 -0.794 1.00 0.00 H new ATOM 647 N TRP A 49 -0.145 7.891 0.254 1.00 0.00 N ATOM 648 CA TRP A 49 -0.330 6.485 0.597 1.00 0.00 C ATOM 649 C TRP A 49 -0.902 5.708 -0.583 1.00 0.00 C ATOM 650 O TRP A 49 -1.731 6.223 -1.334 1.00 0.00 O ATOM 651 CB TRP A 49 -1.254 6.352 1.808 1.00 0.00 C ATOM 652 CG TRP A 49 -1.396 4.942 2.295 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.491 4.236 3.035 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.507 4.066 2.074 1.00 0.00 C ATOM 655 NE1 TRP A 49 -0.973 2.974 3.288 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.208 2.845 2.710 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.726 4.195 1.403 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.083 1.763 2.691 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.594 3.120 1.386 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.270 1.917 2.027 1.00 0.00 C ATOM 0 H TRP A 49 -0.965 8.476 0.416 1.00 0.00 H new ATOM 0 HA TRP A 49 0.645 6.066 0.845 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -0.870 6.972 2.618 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.239 6.740 1.549 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.463 4.614 3.372 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.489 2.251 3.820 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.985 5.118 0.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.834 0.834 3.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.538 3.209 0.870 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.970 1.095 1.997 1.00 0.00 H new ATOM 671 N GLN A 50 -0.455 4.466 -0.741 1.00 0.00 N ATOM 672 CA GLN A 50 -0.924 3.619 -1.831 1.00 0.00 C ATOM 673 C GLN A 50 -1.201 2.202 -1.339 1.00 0.00 C ATOM 674 O GLN A 50 -0.320 1.542 -0.786 1.00 0.00 O ATOM 675 CB GLN A 50 0.107 3.587 -2.960 1.00 0.00 C ATOM 676 CG GLN A 50 -0.055 4.716 -3.964 1.00 0.00 C ATOM 677 CD GLN A 50 0.529 4.378 -5.322 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.672 4.725 -5.622 1.00 0.00 O ATOM 679 NE2 GLN A 50 -0.254 3.698 -6.151 1.00 0.00 N ATOM 0 H GLN A 50 0.231 4.025 -0.128 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.855 4.041 -2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.107 3.636 -2.529 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.032 2.634 -3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.114 4.948 -4.076 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.429 5.613 -3.578 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.195 3.431 -5.860 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.085 3.442 -7.078 1.00 0.00 H new ATOM 688 N CYS A 51 -2.429 1.739 -1.543 1.00 0.00 N ATOM 689 CA CYS A 51 -2.823 0.401 -1.119 1.00 0.00 C ATOM 690 C CYS A 51 -1.910 -0.655 -1.735 1.00 0.00 C ATOM 691 O CYS A 51 -1.274 -0.437 -2.767 1.00 0.00 O ATOM 692 CB CYS A 51 -4.276 0.126 -1.512 1.00 0.00 C ATOM 693 SG CYS A 51 -4.475 -0.578 -3.180 1.00 0.00 S ATOM 0 H CYS A 51 -3.170 2.271 -2.000 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.731 0.349 -0.034 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.714 -0.559 -0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.840 1.057 -1.453 1.00 0.00 H new ATOM 698 N PRO A 52 -1.842 -1.829 -1.088 1.00 0.00 N ATOM 699 CA PRO A 52 -1.011 -2.942 -1.554 1.00 0.00 C ATOM 700 C PRO A 52 -1.546 -3.569 -2.837 1.00 0.00 C ATOM 701 O PRO A 52 -0.853 -4.341 -3.498 1.00 0.00 O ATOM 702 CB PRO A 52 -1.081 -3.945 -0.400 1.00 0.00 C ATOM 703 CG PRO A 52 -2.368 -3.642 0.287 1.00 0.00 C ATOM 704 CD PRO A 52 -2.573 -2.158 0.147 1.00 0.00 C ATOM 0 HA PRO A 52 0.002 -2.620 -1.796 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.059 -4.972 -0.766 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.234 -3.830 0.277 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.192 -4.194 -0.166 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.328 -3.933 1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.630 -1.904 0.068 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.177 -1.615 1.005 1.00 0.00 H new ATOM 712 N GLU A 53 -2.784 -3.230 -3.184 1.00 0.00 N ATOM 713 CA GLU A 53 -3.412 -3.760 -4.389 1.00 0.00 C ATOM 714 C GLU A 53 -3.087 -2.890 -5.599 1.00 0.00 C ATOM 715 O GLU A 53 -3.352 -3.270 -6.740 1.00 0.00 O ATOM 716 CB GLU A 53 -4.928 -3.850 -4.203 1.00 0.00 C ATOM 717 CG GLU A 53 -5.347 -4.706 -3.019 1.00 0.00 C ATOM 718 CD GLU A 53 -6.783 -5.181 -3.122 1.00 0.00 C ATOM 719 OE1 GLU A 53 -7.259 -5.389 -4.258 1.00 0.00 O ATOM 720 OE2 GLU A 53 -7.431 -5.345 -2.067 1.00 0.00 O ATOM 0 H GLU A 53 -3.371 -2.591 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.015 -4.760 -4.566 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.330 -2.845 -4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.373 -4.257 -5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.687 -5.570 -2.948 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.223 -4.134 -2.100 1.00 0.00 H new ATOM 727 N CYS A 54 -2.512 -1.720 -5.343 1.00 0.00 N ATOM 728 CA CYS A 54 -2.152 -0.794 -6.410 1.00 0.00 C ATOM 729 C CYS A 54 -0.662 -0.468 -6.366 1.00 0.00 C ATOM 730 O CYS A 54 0.037 -0.570 -7.375 1.00 0.00 O ATOM 731 CB CYS A 54 -2.970 0.493 -6.294 1.00 0.00 C ATOM 732 SG CYS A 54 -4.736 0.290 -6.694 1.00 0.00 S ATOM 0 H CYS A 54 -2.285 -1.390 -4.405 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.374 -1.273 -7.364 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.880 0.878 -5.278 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.542 1.244 -6.958 1.00 0.00 H new ATOM 737 N LYS A 55 -0.181 -0.076 -5.191 1.00 0.00 N ATOM 738 CA LYS A 55 1.225 0.264 -5.014 1.00 0.00 C ATOM 739 C LYS A 55 2.107 -0.572 -5.937 1.00 0.00 C ATOM 740 O LYS A 55 1.792 -1.723 -6.238 1.00 0.00 O ATOM 741 CB LYS A 55 1.644 0.048 -3.558 1.00 0.00 C ATOM 742 CG LYS A 55 1.987 -1.395 -3.231 1.00 0.00 C ATOM 743 CD LYS A 55 2.600 -1.522 -1.847 1.00 0.00 C ATOM 744 CE LYS A 55 3.226 -2.892 -1.638 1.00 0.00 C ATOM 745 NZ LYS A 55 2.321 -3.989 -2.082 1.00 0.00 N ATOM 0 H LYS A 55 -0.746 0.014 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 55 1.354 1.315 -5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.508 0.676 -3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.837 0.378 -2.904 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.086 -2.006 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.683 -1.782 -3.975 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.358 -0.750 -1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.833 -1.352 -1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.165 -2.950 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.467 -3.024 -0.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.803 -4.904 -1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.456 -3.981 -1.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.071 -3.849 -3.082 1.00 0.00 H new ATOM 759 N VAL A 56 3.215 0.015 -6.380 1.00 0.00 N ATOM 760 CA VAL A 56 4.144 -0.677 -7.266 1.00 0.00 C ATOM 761 C VAL A 56 5.583 -0.257 -6.989 1.00 0.00 C ATOM 762 O VAL A 56 5.831 0.734 -6.301 1.00 0.00 O ATOM 763 CB VAL A 56 3.817 -0.404 -8.746 1.00 0.00 C ATOM 764 CG1 VAL A 56 2.387 -0.814 -9.062 1.00 0.00 C ATOM 765 CG2 VAL A 56 4.045 1.063 -9.080 1.00 0.00 C ATOM 0 H VAL A 56 3.491 0.967 -6.140 1.00 0.00 H new ATOM 0 HA VAL A 56 4.035 -1.743 -7.068 1.00 0.00 H new ATOM 0 HB VAL A 56 4.486 -1.003 -9.364 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.175 -0.613 -10.112 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.261 -1.878 -8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.699 -0.244 -8.437 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.809 1.238 -10.130 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.402 1.683 -8.455 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.088 1.321 -8.895 1.00 0.00 H new ATOM 775 N CYS A 57 6.530 -1.017 -7.530 1.00 0.00 N ATOM 776 CA CYS A 57 7.946 -0.725 -7.342 1.00 0.00 C ATOM 777 C CYS A 57 8.276 0.690 -7.809 1.00 0.00 C ATOM 778 O CYS A 57 7.789 1.141 -8.846 1.00 0.00 O ATOM 779 CB CYS A 57 8.802 -1.738 -8.103 1.00 0.00 C ATOM 780 SG CYS A 57 10.591 -1.575 -7.800 1.00 0.00 S ATOM 0 H CYS A 57 6.342 -1.840 -8.102 1.00 0.00 H new ATOM 0 HA CYS A 57 8.169 -0.798 -6.278 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.488 -2.744 -7.826 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.614 -1.628 -9.171 1.00 0.00 H new ATOM 785 N GLN A 58 9.107 1.383 -7.038 1.00 0.00 N ATOM 786 CA GLN A 58 9.502 2.746 -7.373 1.00 0.00 C ATOM 787 C GLN A 58 10.777 2.753 -8.210 1.00 0.00 C ATOM 788 O GLN A 58 11.113 3.756 -8.838 1.00 0.00 O ATOM 789 CB GLN A 58 9.709 3.568 -6.100 1.00 0.00 C ATOM 790 CG GLN A 58 8.412 4.041 -5.463 1.00 0.00 C ATOM 791 CD GLN A 58 7.498 4.739 -6.451 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.957 5.321 -7.434 1.00 0.00 O ATOM 793 NE2 GLN A 58 6.196 4.684 -6.194 1.00 0.00 N ATOM 0 H GLN A 58 9.520 1.023 -6.177 1.00 0.00 H new ATOM 0 HA GLN A 58 8.701 3.195 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.262 2.969 -5.377 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.327 4.435 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.890 3.186 -5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.641 4.721 -4.643 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.860 4.190 -5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.532 5.135 -6.824 1.00 0.00 H new ATOM 802 N ASN A 59 11.483 1.627 -8.213 1.00 0.00 N ATOM 803 CA ASN A 59 12.722 1.504 -8.972 1.00 0.00 C ATOM 804 C ASN A 59 12.434 1.217 -10.442 1.00 0.00 C ATOM 805 O ASN A 59 12.921 1.917 -11.330 1.00 0.00 O ATOM 806 CB ASN A 59 13.596 0.394 -8.385 1.00 0.00 C ATOM 807 CG ASN A 59 14.225 0.790 -7.063 1.00 0.00 C ATOM 808 OD1 ASN A 59 15.139 1.613 -7.020 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.736 0.204 -5.977 1.00 0.00 N ATOM 0 H ASN A 59 11.218 0.787 -7.698 1.00 0.00 H new ATOM 0 HA ASN A 59 13.256 2.452 -8.904 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.993 -0.503 -8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 59 14.382 0.140 -9.096 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.119 0.430 -5.059 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.977 -0.473 -6.060 1.00 0.00 H new ATOM 816 N CYS A 60 11.638 0.182 -10.691 1.00 0.00 N ATOM 817 CA CYS A 60 11.283 -0.199 -12.053 1.00 0.00 C ATOM 818 C CYS A 60 9.880 0.286 -12.406 1.00 0.00 C ATOM 819 O CYS A 60 9.320 -0.091 -13.435 1.00 0.00 O ATOM 820 CB CYS A 60 11.365 -1.718 -12.217 1.00 0.00 C ATOM 821 SG CYS A 60 10.128 -2.639 -11.248 1.00 0.00 S ATOM 0 H CYS A 60 11.227 -0.408 -9.967 1.00 0.00 H new ATOM 0 HA CYS A 60 11.993 0.273 -12.732 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.243 -1.966 -13.271 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.361 -2.051 -11.925 1.00 0.00 H new ATOM 826 N LYS A 61 9.317 1.127 -11.544 1.00 0.00 N ATOM 827 CA LYS A 61 7.980 1.666 -11.763 1.00 0.00 C ATOM 828 C LYS A 61 7.033 0.584 -12.271 1.00 0.00 C ATOM 829 O LYS A 61 6.135 0.857 -13.068 1.00 0.00 O ATOM 830 CB LYS A 61 8.033 2.823 -12.764 1.00 0.00 C ATOM 831 CG LYS A 61 8.682 4.079 -12.208 1.00 0.00 C ATOM 832 CD LYS A 61 7.759 4.804 -11.244 1.00 0.00 C ATOM 833 CE LYS A 61 8.278 6.196 -10.915 1.00 0.00 C ATOM 834 NZ LYS A 61 7.816 7.208 -11.905 1.00 0.00 N ATOM 0 H LYS A 61 9.766 1.450 -10.687 1.00 0.00 H new ATOM 0 HA LYS A 61 7.603 2.035 -10.809 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.582 2.502 -13.649 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.019 3.060 -13.086 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.608 3.815 -11.697 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.949 4.745 -13.028 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.763 4.880 -11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.662 4.224 -10.326 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.942 6.483 -9.919 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.368 6.181 -10.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.190 8.143 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.158 6.948 -12.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.777 7.240 -11.909 1.00 0.00 H new ATOM 848 N GLN A 62 7.238 -0.643 -11.804 1.00 0.00 N ATOM 849 CA GLN A 62 6.401 -1.765 -12.211 1.00 0.00 C ATOM 850 C GLN A 62 5.992 -2.605 -11.005 1.00 0.00 C ATOM 851 O GLN A 62 6.438 -2.358 -9.885 1.00 0.00 O ATOM 852 CB GLN A 62 7.140 -2.638 -13.227 1.00 0.00 C ATOM 853 CG GLN A 62 7.253 -2.004 -14.605 1.00 0.00 C ATOM 854 CD GLN A 62 7.207 -3.027 -15.723 1.00 0.00 C ATOM 855 OE1 GLN A 62 8.020 -3.950 -15.770 1.00 0.00 O ATOM 856 NE2 GLN A 62 6.251 -2.868 -16.632 1.00 0.00 N ATOM 0 H GLN A 62 7.976 -0.885 -11.143 1.00 0.00 H new ATOM 0 HA GLN A 62 5.500 -1.363 -12.674 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.141 -2.851 -12.851 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.623 -3.593 -13.317 1.00 0.00 H new ATOM 0 HG2 GLN A 62 6.442 -1.288 -14.739 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.186 -1.444 -14.668 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.598 -2.088 -16.554 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.170 -3.526 -17.407 1.00 0.00 H new ATOM 865 N SER A 63 5.140 -3.597 -11.243 1.00 0.00 N ATOM 866 CA SER A 63 4.667 -4.470 -10.175 1.00 0.00 C ATOM 867 C SER A 63 4.570 -5.915 -10.658 1.00 0.00 C ATOM 868 O SER A 63 4.078 -6.184 -11.753 1.00 0.00 O ATOM 869 CB SER A 63 3.303 -3.998 -9.668 1.00 0.00 C ATOM 870 OG SER A 63 2.964 -4.637 -8.449 1.00 0.00 O ATOM 0 H SER A 63 4.763 -3.816 -12.165 1.00 0.00 H new ATOM 0 HA SER A 63 5.386 -4.425 -9.357 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.319 -2.918 -9.524 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.540 -4.209 -10.417 1.00 0.00 H new ATOM 0 HG SER A 63 2.089 -4.318 -8.144 1.00 0.00 H new ATOM 876 N GLY A 64 5.045 -6.841 -9.831 1.00 0.00 N ATOM 877 CA GLY A 64 5.004 -8.247 -10.190 1.00 0.00 C ATOM 878 C GLY A 64 5.074 -9.156 -8.979 1.00 0.00 C ATOM 879 O GLY A 64 4.051 -9.474 -8.373 1.00 0.00 O ATOM 0 H GLY A 64 5.457 -6.643 -8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.086 -8.452 -10.742 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.835 -8.473 -10.859 1.00 0.00 H new ATOM 883 N GLU A 65 6.285 -9.578 -8.627 1.00 0.00 N ATOM 884 CA GLU A 65 6.483 -10.459 -7.482 1.00 0.00 C ATOM 885 C GLU A 65 6.071 -9.768 -6.186 1.00 0.00 C ATOM 886 O GLU A 65 6.828 -8.976 -5.624 1.00 0.00 O ATOM 887 CB GLU A 65 7.947 -10.898 -7.396 1.00 0.00 C ATOM 888 CG GLU A 65 8.477 -11.506 -8.683 1.00 0.00 C ATOM 889 CD GLU A 65 8.271 -13.007 -8.748 1.00 0.00 C ATOM 890 OE1 GLU A 65 7.134 -13.461 -8.499 1.00 0.00 O ATOM 891 OE2 GLU A 65 9.245 -13.728 -9.047 1.00 0.00 O ATOM 0 H GLU A 65 7.142 -9.324 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 65 5.854 -11.339 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.561 -10.037 -7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.053 -11.625 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.980 -11.038 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.540 -11.285 -8.774 1.00 0.00 H new ATOM 898 N ASP A 66 4.866 -10.072 -5.718 1.00 0.00 N ATOM 899 CA ASP A 66 4.352 -9.481 -4.488 1.00 0.00 C ATOM 900 C ASP A 66 5.099 -10.020 -3.272 1.00 0.00 C ATOM 901 O ASP A 66 5.599 -9.254 -2.448 1.00 0.00 O ATOM 902 CB ASP A 66 2.855 -9.764 -4.348 1.00 0.00 C ATOM 903 CG ASP A 66 2.005 -8.778 -5.124 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.361 -7.581 -5.153 1.00 0.00 O ATOM 905 OD2 ASP A 66 0.984 -9.203 -5.704 1.00 0.00 O ATOM 0 H ASP A 66 4.226 -10.724 -6.172 1.00 0.00 H new ATOM 0 HA ASP A 66 4.508 -8.403 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.645 -10.775 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.578 -9.728 -3.294 1.00 0.00 H new ATOM 910 N SER A 67 5.171 -11.343 -3.166 1.00 0.00 N ATOM 911 CA SER A 67 5.853 -11.985 -2.049 1.00 0.00 C ATOM 912 C SER A 67 7.254 -11.410 -1.865 1.00 0.00 C ATOM 913 O SER A 67 7.621 -10.973 -0.774 1.00 0.00 O ATOM 914 CB SER A 67 5.935 -13.496 -2.273 1.00 0.00 C ATOM 915 OG SER A 67 6.096 -14.186 -1.046 1.00 0.00 O ATOM 0 H SER A 67 4.765 -11.991 -3.841 1.00 0.00 H new ATOM 0 HA SER A 67 5.277 -11.790 -1.144 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.030 -13.842 -2.772 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.771 -13.724 -2.934 1.00 0.00 H new ATOM 0 HG SER A 67 6.144 -15.150 -1.217 1.00 0.00 H new ATOM 921 N LYS A 68 8.034 -11.413 -2.941 1.00 0.00 N ATOM 922 CA LYS A 68 9.395 -10.891 -2.901 1.00 0.00 C ATOM 923 C LYS A 68 9.394 -9.388 -2.644 1.00 0.00 C ATOM 924 O LYS A 68 10.223 -8.877 -1.891 1.00 0.00 O ATOM 925 CB LYS A 68 10.117 -11.193 -4.216 1.00 0.00 C ATOM 926 CG LYS A 68 10.563 -12.639 -4.347 1.00 0.00 C ATOM 927 CD LYS A 68 11.506 -12.828 -5.524 1.00 0.00 C ATOM 928 CE LYS A 68 12.162 -14.199 -5.498 1.00 0.00 C ATOM 929 NZ LYS A 68 13.362 -14.257 -6.378 1.00 0.00 N ATOM 0 H LYS A 68 7.747 -11.771 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 68 9.922 -11.382 -2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.456 -10.949 -5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.989 -10.544 -4.300 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.059 -12.952 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.690 -13.280 -4.472 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.955 -12.705 -6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.275 -12.055 -5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.449 -14.445 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.441 -14.952 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.780 -15.208 -6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.084 -14.048 -7.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 14.061 -13.556 -6.059 1.00 0.00 H new ATOM 943 N MET A 69 8.457 -8.685 -3.272 1.00 0.00 N ATOM 944 CA MET A 69 8.347 -7.240 -3.107 1.00 0.00 C ATOM 945 C MET A 69 8.453 -6.850 -1.636 1.00 0.00 C ATOM 946 O MET A 69 7.741 -7.390 -0.788 1.00 0.00 O ATOM 947 CB MET A 69 7.022 -6.739 -3.685 1.00 0.00 C ATOM 948 CG MET A 69 6.797 -5.249 -3.485 1.00 0.00 C ATOM 949 SD MET A 69 5.344 -4.642 -4.363 1.00 0.00 S ATOM 950 CE MET A 69 6.092 -3.448 -5.469 1.00 0.00 C ATOM 0 H MET A 69 7.763 -9.092 -3.899 1.00 0.00 H new ATOM 0 HA MET A 69 9.171 -6.774 -3.648 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.992 -6.963 -4.751 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.202 -7.288 -3.221 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.686 -5.042 -2.421 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.677 -4.704 -3.826 1.00 0.00 H new ATOM 0 HE1 MET A 69 5.524 -3.407 -6.398 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.090 -2.465 -4.998 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.119 -3.745 -5.684 1.00 0.00 H new ATOM 960 N LEU A 70 9.346 -5.912 -1.340 1.00 0.00 N ATOM 961 CA LEU A 70 9.545 -5.450 0.029 1.00 0.00 C ATOM 962 C LEU A 70 8.626 -4.275 0.347 1.00 0.00 C ATOM 963 O LEU A 70 8.551 -3.309 -0.412 1.00 0.00 O ATOM 964 CB LEU A 70 11.004 -5.044 0.244 1.00 0.00 C ATOM 965 CG LEU A 70 12.056 -6.063 -0.196 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.257 -5.360 -0.808 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.485 -6.928 0.981 1.00 0.00 C ATOM 0 H LEU A 70 9.944 -5.457 -2.030 1.00 0.00 H new ATOM 0 HA LEU A 70 9.300 -6.271 0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.184 -4.112 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.150 -4.836 1.304 1.00 0.00 H new ATOM 0 HG LEU A 70 11.614 -6.709 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.995 -6.101 -1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.938 -4.784 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.701 -4.690 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.234 -7.647 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.909 -6.296 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.620 -7.461 1.376 1.00 0.00 H new ATOM 979 N VAL A 71 7.930 -4.364 1.476 1.00 0.00 N ATOM 980 CA VAL A 71 7.018 -3.307 1.897 1.00 0.00 C ATOM 981 C VAL A 71 7.573 -2.549 3.098 1.00 0.00 C ATOM 982 O VAL A 71 7.677 -3.095 4.197 1.00 0.00 O ATOM 983 CB VAL A 71 5.631 -3.872 2.256 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.634 -2.743 2.473 1.00 0.00 C ATOM 985 CG2 VAL A 71 5.146 -4.822 1.172 1.00 0.00 C ATOM 0 H VAL A 71 7.980 -5.157 2.115 1.00 0.00 H new ATOM 0 HA VAL A 71 6.916 -2.623 1.055 1.00 0.00 H new ATOM 0 HB VAL A 71 5.716 -4.433 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.660 -3.161 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.978 -2.106 3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.549 -2.152 1.561 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.165 -5.212 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.076 -4.288 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.849 -5.649 1.071 1.00 0.00 H new ATOM 995 N CYS A 72 7.927 -1.286 2.881 1.00 0.00 N ATOM 996 CA CYS A 72 8.471 -0.451 3.945 1.00 0.00 C ATOM 997 C CYS A 72 7.517 -0.395 5.135 1.00 0.00 C ATOM 998 O CYS A 72 6.333 -0.709 5.009 1.00 0.00 O ATOM 999 CB CYS A 72 8.740 0.962 3.425 1.00 0.00 C ATOM 1000 SG CYS A 72 9.796 1.968 4.518 1.00 0.00 S ATOM 0 H CYS A 72 7.847 -0.819 1.978 1.00 0.00 H new ATOM 0 HA CYS A 72 9.410 -0.894 4.276 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.211 0.893 2.445 1.00 0.00 H new ATOM 0 HB3 CYS A 72 7.788 1.474 3.286 1.00 0.00 H new ATOM 1005 N ASP A 73 8.040 0.007 6.287 1.00 0.00 N ATOM 1006 CA ASP A 73 7.236 0.106 7.499 1.00 0.00 C ATOM 1007 C ASP A 73 6.900 1.561 7.811 1.00 0.00 C ATOM 1008 O ASP A 73 5.851 1.860 8.383 1.00 0.00 O ATOM 1009 CB ASP A 73 7.975 -0.524 8.681 1.00 0.00 C ATOM 1010 CG ASP A 73 8.843 0.475 9.420 1.00 0.00 C ATOM 1011 OD1 ASP A 73 8.282 1.361 10.097 1.00 0.00 O ATOM 1012 OD2 ASP A 73 10.084 0.370 9.321 1.00 0.00 O ATOM 0 H ASP A 73 9.018 0.270 6.407 1.00 0.00 H new ATOM 0 HA ASP A 73 6.305 -0.436 7.332 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.250 -0.952 9.373 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.596 -1.345 8.322 1.00 0.00 H new ATOM 1017 N THR A 74 7.799 2.465 7.433 1.00 0.00 N ATOM 1018 CA THR A 74 7.599 3.889 7.674 1.00 0.00 C ATOM 1019 C THR A 74 6.712 4.509 6.600 1.00 0.00 C ATOM 1020 O THR A 74 5.662 5.077 6.900 1.00 0.00 O ATOM 1021 CB THR A 74 8.941 4.644 7.715 1.00 0.00 C ATOM 1022 OG1 THR A 74 9.678 4.269 8.884 1.00 0.00 O ATOM 1023 CG2 THR A 74 8.714 6.149 7.713 1.00 0.00 C ATOM 0 H THR A 74 8.673 2.236 6.959 1.00 0.00 H new ATOM 0 HA THR A 74 7.109 3.981 8.643 1.00 0.00 H new ATOM 0 HB THR A 74 9.511 4.377 6.825 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.531 4.752 8.902 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.675 6.662 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.178 6.435 6.808 1.00 0.00 H new ATOM 0 HG23 THR A 74 8.126 6.429 8.587 1.00 0.00 H new ATOM 1031 N CYS A 75 7.141 4.397 5.347 1.00 0.00 N ATOM 1032 CA CYS A 75 6.386 4.946 4.228 1.00 0.00 C ATOM 1033 C CYS A 75 5.605 3.851 3.508 1.00 0.00 C ATOM 1034 O CYS A 75 4.722 4.133 2.698 1.00 0.00 O ATOM 1035 CB CYS A 75 7.327 5.647 3.246 1.00 0.00 C ATOM 1036 SG CYS A 75 8.256 4.510 2.168 1.00 0.00 S ATOM 0 H CYS A 75 8.008 3.930 5.082 1.00 0.00 H new ATOM 0 HA CYS A 75 5.676 5.673 4.623 1.00 0.00 H new ATOM 0 HB2 CYS A 75 6.745 6.327 2.624 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.034 6.256 3.809 1.00 0.00 H new ATOM 1041 N ASP A 76 5.937 2.600 3.810 1.00 0.00 N ATOM 1042 CA ASP A 76 5.267 1.461 3.193 1.00 0.00 C ATOM 1043 C ASP A 76 5.012 1.718 1.711 1.00 0.00 C ATOM 1044 O ASP A 76 3.895 1.548 1.223 1.00 0.00 O ATOM 1045 CB ASP A 76 3.946 1.171 3.907 1.00 0.00 C ATOM 1046 CG ASP A 76 4.127 0.964 5.398 1.00 0.00 C ATOM 1047 OD1 ASP A 76 4.982 1.653 5.993 1.00 0.00 O ATOM 1048 OD2 ASP A 76 3.414 0.113 5.970 1.00 0.00 O ATOM 0 H ASP A 76 6.666 2.349 4.478 1.00 0.00 H new ATOM 0 HA ASP A 76 5.920 0.593 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.256 1.998 3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.489 0.282 3.473 1.00 0.00 H new ATOM 1053 N LYS A 77 6.056 2.129 0.999 1.00 0.00 N ATOM 1054 CA LYS A 77 5.947 2.410 -0.427 1.00 0.00 C ATOM 1055 C LYS A 77 5.952 1.118 -1.238 1.00 0.00 C ATOM 1056 O LYS A 77 4.945 0.747 -1.839 1.00 0.00 O ATOM 1057 CB LYS A 77 7.098 3.312 -0.880 1.00 0.00 C ATOM 1058 CG LYS A 77 6.819 4.793 -0.691 1.00 0.00 C ATOM 1059 CD LYS A 77 8.104 5.604 -0.667 1.00 0.00 C ATOM 1060 CE LYS A 77 8.467 6.115 -2.053 1.00 0.00 C ATOM 1061 NZ LYS A 77 7.594 7.247 -2.472 1.00 0.00 N ATOM 0 H LYS A 77 6.988 2.275 1.387 1.00 0.00 H new ATOM 0 HA LYS A 77 5.001 2.924 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.997 3.046 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.306 3.121 -1.933 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.178 5.149 -1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.274 4.946 0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.991 6.447 0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.917 4.989 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.508 6.437 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.380 5.302 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.002 7.709 -3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.646 6.887 -2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.524 7.937 -1.697 1.00 0.00 H new ATOM 1075 N GLY A 78 7.093 0.434 -1.248 1.00 0.00 N ATOM 1076 CA GLY A 78 7.206 -0.810 -1.986 1.00 0.00 C ATOM 1077 C GLY A 78 8.420 -0.837 -2.893 1.00 0.00 C ATOM 1078 O GLY A 78 8.568 0.015 -3.770 1.00 0.00 O ATOM 0 H GLY A 78 7.941 0.720 -0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.262 -1.642 -1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.306 -0.958 -2.584 1.00 0.00 H new ATOM 1082 N TYR A 79 9.291 -1.817 -2.683 1.00 0.00 N ATOM 1083 CA TYR A 79 10.501 -1.950 -3.486 1.00 0.00 C ATOM 1084 C TYR A 79 10.881 -3.417 -3.661 1.00 0.00 C ATOM 1085 O TYR A 79 10.881 -4.189 -2.702 1.00 0.00 O ATOM 1086 CB TYR A 79 11.656 -1.187 -2.835 1.00 0.00 C ATOM 1087 CG TYR A 79 11.346 0.269 -2.568 1.00 0.00 C ATOM 1088 CD1 TYR A 79 10.723 0.662 -1.390 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.676 1.251 -3.494 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.437 1.990 -1.142 1.00 0.00 C ATOM 1091 CE2 TYR A 79 11.395 2.582 -3.253 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.776 2.947 -2.076 1.00 0.00 C ATOM 1093 OH TYR A 79 10.493 4.271 -1.833 1.00 0.00 O ATOM 0 H TYR A 79 9.182 -2.531 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 79 10.302 -1.525 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 79 11.917 -1.673 -1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.532 -1.251 -3.480 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.458 -0.084 -0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 79 12.160 0.969 -4.417 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.951 2.278 -0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.659 3.333 -3.983 1.00 0.00 H new ATOM 0 HH TYR A 79 10.996 4.833 -2.458 1.00 0.00 H new ATOM 1103 N HIS A 80 11.204 -3.795 -4.894 1.00 0.00 N ATOM 1104 CA HIS A 80 11.587 -5.169 -5.197 1.00 0.00 C ATOM 1105 C HIS A 80 12.925 -5.515 -4.550 1.00 0.00 C ATOM 1106 O HIS A 80 13.633 -4.638 -4.054 1.00 0.00 O ATOM 1107 CB HIS A 80 11.670 -5.376 -6.709 1.00 0.00 C ATOM 1108 CG HIS A 80 10.332 -5.447 -7.378 1.00 0.00 C ATOM 1109 ND1 HIS A 80 10.091 -4.937 -8.636 1.00 0.00 N ATOM 1110 CD2 HIS A 80 9.159 -5.975 -6.957 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.827 -5.146 -8.959 1.00 0.00 C ATOM 1112 NE2 HIS A 80 8.240 -5.775 -7.958 1.00 0.00 N ATOM 0 H HIS A 80 11.208 -3.169 -5.699 1.00 0.00 H new ATOM 0 HA HIS A 80 10.824 -5.831 -4.789 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.244 -4.560 -7.148 1.00 0.00 H new ATOM 0 HB3 HIS A 80 12.218 -6.296 -6.912 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.979 -6.463 -6.010 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.354 -4.852 -9.885 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.263 -6.065 -7.932 1.00 0.00 H new ATOM 1120 N THR A 81 13.266 -6.800 -4.558 1.00 0.00 N ATOM 1121 CA THR A 81 14.518 -7.262 -3.971 1.00 0.00 C ATOM 1122 C THR A 81 15.643 -7.256 -4.999 1.00 0.00 C ATOM 1123 O THR A 81 16.821 -7.214 -4.644 1.00 0.00 O ATOM 1124 CB THR A 81 14.375 -8.682 -3.392 1.00 0.00 C ATOM 1125 OG1 THR A 81 13.388 -9.414 -4.126 1.00 0.00 O ATOM 1126 CG2 THR A 81 13.987 -8.631 -1.922 1.00 0.00 C ATOM 0 H THR A 81 12.693 -7.539 -4.965 1.00 0.00 H new ATOM 0 HA THR A 81 14.763 -6.571 -3.165 1.00 0.00 H new ATOM 0 HB THR A 81 15.338 -9.184 -3.480 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.305 -10.316 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.892 -9.646 -1.535 1.00 0.00 H new ATOM 0 HG22 THR A 81 14.756 -8.099 -1.361 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.035 -8.111 -1.815 1.00 0.00 H new ATOM 1134 N PHE A 82 15.273 -7.295 -6.275 1.00 0.00 N ATOM 1135 CA PHE A 82 16.252 -7.294 -7.355 1.00 0.00 C ATOM 1136 C PHE A 82 16.279 -5.942 -8.063 1.00 0.00 C ATOM 1137 O PHE A 82 16.769 -5.827 -9.187 1.00 0.00 O ATOM 1138 CB PHE A 82 15.935 -8.403 -8.361 1.00 0.00 C ATOM 1139 CG PHE A 82 14.463 -8.619 -8.570 1.00 0.00 C ATOM 1140 CD1 PHE A 82 13.715 -9.328 -7.644 1.00 0.00 C ATOM 1141 CD2 PHE A 82 13.828 -8.114 -9.693 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.361 -9.529 -7.833 1.00 0.00 C ATOM 1143 CE2 PHE A 82 12.474 -8.311 -9.888 1.00 0.00 C ATOM 1144 CZ PHE A 82 11.740 -9.020 -8.957 1.00 0.00 C ATOM 0 H PHE A 82 14.302 -7.328 -6.586 1.00 0.00 H new ATOM 0 HA PHE A 82 17.235 -7.477 -6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 82 16.398 -8.159 -9.317 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.386 -9.334 -8.018 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.196 -9.728 -6.764 1.00 0.00 H new ATOM 0 HD2 PHE A 82 14.398 -7.560 -10.424 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.789 -10.083 -7.103 1.00 0.00 H new ATOM 0 HE2 PHE A 82 11.990 -7.911 -10.767 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.682 -9.176 -9.108 1.00 0.00 H new ATOM 1154 N CYS A 83 15.749 -4.922 -7.397 1.00 0.00 N ATOM 1155 CA CYS A 83 15.711 -3.578 -7.960 1.00 0.00 C ATOM 1156 C CYS A 83 16.542 -2.612 -7.120 1.00 0.00 C ATOM 1157 O CYS A 83 16.883 -1.517 -7.569 1.00 0.00 O ATOM 1158 CB CYS A 83 14.267 -3.081 -8.049 1.00 0.00 C ATOM 1159 SG CYS A 83 13.315 -3.803 -9.425 1.00 0.00 S ATOM 0 H CYS A 83 15.340 -5.001 -6.466 1.00 0.00 H new ATOM 0 HA CYS A 83 16.137 -3.619 -8.962 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.758 -3.306 -7.112 1.00 0.00 H new ATOM 0 HB3 CYS A 83 14.273 -1.996 -8.156 1.00 0.00 H new ATOM 1164 N LEU A 84 16.864 -3.026 -5.900 1.00 0.00 N ATOM 1165 CA LEU A 84 17.656 -2.198 -4.996 1.00 0.00 C ATOM 1166 C LEU A 84 19.135 -2.250 -5.365 1.00 0.00 C ATOM 1167 O LEU A 84 19.590 -3.194 -6.010 1.00 0.00 O ATOM 1168 CB LEU A 84 17.463 -2.659 -3.550 1.00 0.00 C ATOM 1169 CG LEU A 84 16.030 -2.616 -3.018 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.836 -3.653 -1.923 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.694 -1.224 -2.502 1.00 0.00 C ATOM 0 H LEU A 84 16.590 -3.929 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 84 17.313 -1.168 -5.092 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.831 -3.681 -3.463 1.00 0.00 H new ATOM 0 HB3 LEU A 84 18.087 -2.040 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 84 15.351 -2.852 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.810 -3.608 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.034 -4.647 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.524 -3.449 -1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.670 -1.212 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.379 -0.960 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.792 -0.502 -3.313 1.00 0.00 H new ATOM 1183 N GLN A 85 19.880 -1.230 -4.949 1.00 0.00 N ATOM 1184 CA GLN A 85 21.308 -1.161 -5.235 1.00 0.00 C ATOM 1185 C GLN A 85 22.105 -0.893 -3.963 1.00 0.00 C ATOM 1186 O GLN A 85 22.171 0.233 -3.469 1.00 0.00 O ATOM 1187 CB GLN A 85 21.590 -0.069 -6.269 1.00 0.00 C ATOM 1188 CG GLN A 85 23.072 0.168 -6.514 1.00 0.00 C ATOM 1189 CD GLN A 85 23.338 0.902 -7.813 1.00 0.00 C ATOM 1190 OE1 GLN A 85 22.673 0.664 -8.822 1.00 0.00 O ATOM 1191 NE2 GLN A 85 24.315 1.802 -7.795 1.00 0.00 N ATOM 0 H GLN A 85 19.518 -0.441 -4.413 1.00 0.00 H new ATOM 0 HA GLN A 85 21.619 -2.124 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 85 21.113 -0.340 -7.211 1.00 0.00 H new ATOM 0 HB3 GLN A 85 21.132 0.862 -5.936 1.00 0.00 H new ATOM 0 HG2 GLN A 85 23.486 0.742 -5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 85 23.592 -0.790 -6.529 1.00 0.00 H new ATOM 0 HE21 GLN A 85 24.841 1.967 -6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 85 24.540 2.328 -8.640 1.00 0.00 H new ATOM 1200 N PRO A 86 22.726 -1.950 -3.419 1.00 0.00 N ATOM 1201 CA PRO A 86 22.655 -3.294 -3.999 1.00 0.00 C ATOM 1202 C PRO A 86 21.268 -3.913 -3.859 1.00 0.00 C ATOM 1203 O PRO A 86 20.389 -3.349 -3.208 1.00 0.00 O ATOM 1204 CB PRO A 86 23.679 -4.087 -3.183 1.00 0.00 C ATOM 1205 CG PRO A 86 23.765 -3.368 -1.881 1.00 0.00 C ATOM 1206 CD PRO A 86 23.546 -1.914 -2.196 1.00 0.00 C ATOM 0 HA PRO A 86 22.856 -3.287 -5.070 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.360 -5.120 -3.044 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.647 -4.117 -3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 86 23.012 -3.734 -1.183 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.737 -3.524 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 86 23.033 -1.400 -1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 86 24.489 -1.392 -2.359 1.00 0.00 H new ATOM 1214 N VAL A 87 21.079 -5.077 -4.473 1.00 0.00 N ATOM 1215 CA VAL A 87 19.800 -5.773 -4.415 1.00 0.00 C ATOM 1216 C VAL A 87 19.723 -6.680 -3.193 1.00 0.00 C ATOM 1217 O VAL A 87 20.737 -7.198 -2.726 1.00 0.00 O ATOM 1218 CB VAL A 87 19.562 -6.616 -5.682 1.00 0.00 C ATOM 1219 CG1 VAL A 87 19.012 -5.749 -6.805 1.00 0.00 C ATOM 1220 CG2 VAL A 87 20.847 -7.307 -6.111 1.00 0.00 C ATOM 0 H VAL A 87 21.796 -5.557 -5.016 1.00 0.00 H new ATOM 0 HA VAL A 87 19.026 -5.008 -4.346 1.00 0.00 H new ATOM 0 HB VAL A 87 18.823 -7.384 -5.453 1.00 0.00 H new ATOM 0 HG11 VAL A 87 18.850 -6.362 -7.692 1.00 0.00 H new ATOM 0 HG12 VAL A 87 18.066 -5.306 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 87 19.725 -4.957 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 87 20.660 -7.898 -7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 87 21.610 -6.558 -6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 87 21.193 -7.961 -5.311 1.00 0.00 H new ATOM 1230 N MET A 88 18.512 -6.869 -2.678 1.00 0.00 N ATOM 1231 CA MET A 88 18.302 -7.716 -1.510 1.00 0.00 C ATOM 1232 C MET A 88 17.917 -9.132 -1.927 1.00 0.00 C ATOM 1233 O MET A 88 16.746 -9.508 -1.877 1.00 0.00 O ATOM 1234 CB MET A 88 17.214 -7.123 -0.612 1.00 0.00 C ATOM 1235 CG MET A 88 17.709 -5.992 0.275 1.00 0.00 C ATOM 1236 SD MET A 88 16.361 -5.062 1.031 1.00 0.00 S ATOM 1237 CE MET A 88 15.737 -6.263 2.203 1.00 0.00 C ATOM 0 H MET A 88 17.662 -6.447 -3.051 1.00 0.00 H new ATOM 0 HA MET A 88 19.238 -7.762 -0.953 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.400 -6.755 -1.236 1.00 0.00 H new ATOM 0 HB3 MET A 88 16.802 -7.913 0.016 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.347 -6.402 1.058 1.00 0.00 H new ATOM 0 HG3 MET A 88 18.326 -5.315 -0.316 1.00 0.00 H new ATOM 0 HE1 MET A 88 14.814 -5.892 2.648 1.00 0.00 H new ATOM 0 HE2 MET A 88 15.539 -7.204 1.689 1.00 0.00 H new ATOM 0 HE3 MET A 88 16.477 -6.426 2.986 1.00 0.00 H new ATOM 1247 N LYS A 89 18.909 -9.913 -2.339 1.00 0.00 N ATOM 1248 CA LYS A 89 18.676 -11.289 -2.763 1.00 0.00 C ATOM 1249 C LYS A 89 17.543 -11.921 -1.961 1.00 0.00 C ATOM 1250 O LYS A 89 16.626 -12.517 -2.527 1.00 0.00 O ATOM 1251 CB LYS A 89 19.952 -12.117 -2.604 1.00 0.00 C ATOM 1252 CG LYS A 89 20.832 -12.123 -3.842 1.00 0.00 C ATOM 1253 CD LYS A 89 21.570 -10.805 -4.008 1.00 0.00 C ATOM 1254 CE LYS A 89 22.205 -10.691 -5.386 1.00 0.00 C ATOM 1255 NZ LYS A 89 21.203 -10.864 -6.474 1.00 0.00 N ATOM 0 H LYS A 89 19.884 -9.617 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 89 18.389 -11.275 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.525 -11.727 -1.763 1.00 0.00 H new ATOM 0 HB3 LYS A 89 19.681 -13.143 -2.357 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.552 -12.938 -3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 89 20.220 -12.312 -4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 89 20.877 -9.977 -3.856 1.00 0.00 H new ATOM 0 HD3 LYS A 89 22.341 -10.720 -3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 89 22.685 -9.717 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 89 22.987 -11.444 -5.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 21.537 -10.383 -7.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.076 -11.877 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.295 -10.453 -6.178 1.00 0.00 H new ATOM 1269 N SER A 90 17.612 -11.786 -0.640 1.00 0.00 N ATOM 1270 CA SER A 90 16.594 -12.347 0.240 1.00 0.00 C ATOM 1271 C SER A 90 15.867 -11.243 1.001 1.00 0.00 C ATOM 1272 O SER A 90 16.230 -10.070 0.915 1.00 0.00 O ATOM 1273 CB SER A 90 17.227 -13.330 1.226 1.00 0.00 C ATOM 1274 OG SER A 90 17.816 -14.425 0.546 1.00 0.00 O ATOM 0 H SER A 90 18.362 -11.293 -0.156 1.00 0.00 H new ATOM 0 HA SER A 90 15.869 -12.879 -0.376 1.00 0.00 H new ATOM 0 HB2 SER A 90 17.983 -12.818 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 90 16.469 -13.694 1.920 1.00 0.00 H new ATOM 0 HG SER A 90 18.215 -15.038 1.198 1.00 0.00 H new ATOM 1280 N VAL A 91 14.836 -11.627 1.748 1.00 0.00 N ATOM 1281 CA VAL A 91 14.057 -10.671 2.526 1.00 0.00 C ATOM 1282 C VAL A 91 14.306 -10.848 4.020 1.00 0.00 C ATOM 1283 O VAL A 91 14.399 -11.963 4.532 1.00 0.00 O ATOM 1284 CB VAL A 91 12.550 -10.816 2.247 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.749 -9.879 3.137 1.00 0.00 C ATOM 1286 CG2 VAL A 91 12.253 -10.553 0.778 1.00 0.00 C ATOM 0 H VAL A 91 14.521 -12.594 1.831 1.00 0.00 H new ATOM 0 HA VAL A 91 14.380 -9.676 2.221 1.00 0.00 H new ATOM 0 HB VAL A 91 12.252 -11.839 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.686 -9.996 2.925 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.939 -10.120 4.183 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.047 -8.849 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.183 -10.660 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.565 -9.541 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.797 -11.269 0.163 1.00 0.00 H new ATOM 1296 N PRO A 92 14.415 -9.720 4.739 1.00 0.00 N ATOM 1297 CA PRO A 92 14.653 -9.723 6.185 1.00 0.00 C ATOM 1298 C PRO A 92 13.444 -10.222 6.970 1.00 0.00 C ATOM 1299 O PRO A 92 12.299 -10.017 6.565 1.00 0.00 O ATOM 1300 CB PRO A 92 14.926 -8.251 6.503 1.00 0.00 C ATOM 1301 CG PRO A 92 14.229 -7.495 5.425 1.00 0.00 C ATOM 1302 CD PRO A 92 14.315 -8.356 4.194 1.00 0.00 C ATOM 0 HA PRO A 92 15.468 -10.391 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 92 14.543 -7.981 7.487 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.995 -8.039 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 92 13.191 -7.300 5.693 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.702 -6.527 5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.436 -8.240 3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.183 -8.102 3.585 1.00 0.00 H new ATOM 1310 N THR A 93 13.706 -10.879 8.096 1.00 0.00 N ATOM 1311 CA THR A 93 12.640 -11.408 8.937 1.00 0.00 C ATOM 1312 C THR A 93 11.479 -10.426 9.036 1.00 0.00 C ATOM 1313 O THR A 93 10.366 -10.720 8.601 1.00 0.00 O ATOM 1314 CB THR A 93 13.150 -11.727 10.356 1.00 0.00 C ATOM 1315 OG1 THR A 93 14.290 -12.591 10.284 1.00 0.00 O ATOM 1316 CG2 THR A 93 12.060 -12.386 11.187 1.00 0.00 C ATOM 0 H THR A 93 14.647 -11.057 8.446 1.00 0.00 H new ATOM 0 HA THR A 93 12.294 -12.329 8.467 1.00 0.00 H new ATOM 0 HB THR A 93 13.434 -10.790 10.835 1.00 0.00 H new ATOM 0 HG1 THR A 93 14.609 -12.788 11.189 1.00 0.00 H new ATOM 0 HG21 THR A 93 12.443 -12.602 12.184 1.00 0.00 H new ATOM 0 HG22 THR A 93 11.205 -11.714 11.264 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.749 -13.315 10.709 1.00 0.00 H new ATOM 1324 N ASN A 94 11.745 -9.257 9.610 1.00 0.00 N ATOM 1325 CA ASN A 94 10.721 -8.231 9.766 1.00 0.00 C ATOM 1326 C ASN A 94 11.342 -6.903 10.189 1.00 0.00 C ATOM 1327 O ASN A 94 12.301 -6.871 10.958 1.00 0.00 O ATOM 1328 CB ASN A 94 9.680 -8.671 10.797 1.00 0.00 C ATOM 1329 CG ASN A 94 8.402 -7.859 10.712 1.00 0.00 C ATOM 1330 OD1 ASN A 94 8.115 -7.041 11.586 1.00 0.00 O ATOM 1331 ND2 ASN A 94 7.629 -8.082 9.656 1.00 0.00 N ATOM 0 H ASN A 94 12.661 -8.997 9.975 1.00 0.00 H new ATOM 0 HA ASN A 94 10.231 -8.093 8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.448 -9.725 10.647 1.00 0.00 H new ATOM 0 HB3 ASN A 94 10.101 -8.576 11.798 1.00 0.00 H new ATOM 0 HD21 ASN A 94 6.757 -7.565 9.544 1.00 0.00 H new ATOM 0 HD22 ASN A 94 7.907 -8.770 8.956 1.00 0.00 H new ATOM 1338 N GLY A 95 10.786 -5.807 9.681 1.00 0.00 N ATOM 1339 CA GLY A 95 11.297 -4.491 10.017 1.00 0.00 C ATOM 1340 C GLY A 95 12.308 -3.986 9.007 1.00 0.00 C ATOM 1341 O GLY A 95 13.493 -3.861 9.315 1.00 0.00 O ATOM 0 H GLY A 95 9.991 -5.807 9.043 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.467 -3.787 10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 95 11.760 -4.525 11.003 1.00 0.00 H new ATOM 1345 N TRP A 96 11.840 -3.697 7.798 1.00 0.00 N ATOM 1346 CA TRP A 96 12.712 -3.204 6.739 1.00 0.00 C ATOM 1347 C TRP A 96 12.437 -1.733 6.447 1.00 0.00 C ATOM 1348 O TRP A 96 11.284 -1.318 6.329 1.00 0.00 O ATOM 1349 CB TRP A 96 12.523 -4.033 5.467 1.00 0.00 C ATOM 1350 CG TRP A 96 13.349 -3.549 4.314 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.693 -3.716 4.141 1.00 0.00 C ATOM 1352 CD2 TRP A 96 12.884 -2.817 3.175 1.00 0.00 C ATOM 1353 NE1 TRP A 96 15.092 -3.132 2.963 1.00 0.00 N ATOM 1354 CE2 TRP A 96 14.000 -2.574 2.351 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.633 -2.344 2.770 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 13.901 -1.879 1.149 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.536 -1.654 1.576 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.664 -1.427 0.777 1.00 0.00 C ATOM 0 H TRP A 96 10.862 -3.796 7.527 1.00 0.00 H new ATOM 0 HA TRP A 96 13.743 -3.301 7.078 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.779 -5.071 5.677 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.471 -4.015 5.183 1.00 0.00 H new ATOM 0 HD1 TRP A 96 15.347 -4.231 4.829 1.00 0.00 H new ATOM 0 HE1 TRP A 96 16.046 -3.116 2.603 1.00 0.00 H new ATOM 0 HE3 TRP A 96 10.757 -2.514 3.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.770 -1.703 0.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.574 -1.284 1.254 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.555 -0.885 -0.151 1.00 0.00 H new ATOM 1369 N LYS A 97 13.503 -0.948 6.331 1.00 0.00 N ATOM 1370 CA LYS A 97 13.377 0.477 6.051 1.00 0.00 C ATOM 1371 C LYS A 97 13.967 0.818 4.687 1.00 0.00 C ATOM 1372 O LYS A 97 15.126 0.511 4.406 1.00 0.00 O ATOM 1373 CB LYS A 97 14.075 1.295 7.140 1.00 0.00 C ATOM 1374 CG LYS A 97 13.467 2.671 7.351 1.00 0.00 C ATOM 1375 CD LYS A 97 14.058 3.360 8.570 1.00 0.00 C ATOM 1376 CE LYS A 97 15.578 3.323 8.549 1.00 0.00 C ATOM 1377 NZ LYS A 97 16.169 4.199 9.599 1.00 0.00 N ATOM 0 H LYS A 97 14.464 -1.275 6.427 1.00 0.00 H new ATOM 0 HA LYS A 97 12.316 0.727 6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.037 0.742 8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.127 1.408 6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.637 3.285 6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.388 2.578 7.472 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.719 4.395 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.694 2.875 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.918 2.298 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.935 3.639 7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.207 4.146 9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.865 5.181 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.849 3.882 10.536 1.00 0.00 H new ATOM 1391 N CYS A 98 13.164 1.455 3.842 1.00 0.00 N ATOM 1392 CA CYS A 98 13.606 1.839 2.507 1.00 0.00 C ATOM 1393 C CYS A 98 14.639 2.960 2.578 1.00 0.00 C ATOM 1394 O CYS A 98 14.782 3.625 3.604 1.00 0.00 O ATOM 1395 CB CYS A 98 12.413 2.284 1.659 1.00 0.00 C ATOM 1396 SG CYS A 98 11.868 3.992 1.980 1.00 0.00 S ATOM 0 H CYS A 98 12.202 1.717 4.059 1.00 0.00 H new ATOM 0 HA CYS A 98 14.069 0.969 2.041 1.00 0.00 H new ATOM 0 HB2 CYS A 98 12.675 2.190 0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.578 1.607 1.842 1.00 0.00 H new ATOM 1401 N LYS A 99 15.358 3.164 1.479 1.00 0.00 N ATOM 1402 CA LYS A 99 16.378 4.205 1.414 1.00 0.00 C ATOM 1403 C LYS A 99 15.750 5.590 1.539 1.00 0.00 C ATOM 1404 O LYS A 99 16.280 6.462 2.226 1.00 0.00 O ATOM 1405 CB LYS A 99 17.157 4.103 0.101 1.00 0.00 C ATOM 1406 CG LYS A 99 18.018 5.319 -0.191 1.00 0.00 C ATOM 1407 CD LYS A 99 19.411 5.171 0.397 1.00 0.00 C ATOM 1408 CE LYS A 99 20.299 6.351 0.033 1.00 0.00 C ATOM 1409 NZ LYS A 99 20.598 6.391 -1.425 1.00 0.00 N ATOM 0 H LYS A 99 15.253 2.622 0.621 1.00 0.00 H new ATOM 0 HA LYS A 99 17.064 4.060 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.792 3.218 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.453 3.961 -0.719 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.091 5.464 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.542 6.210 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.342 5.087 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 99 19.864 4.248 0.034 1.00 0.00 H new ATOM 0 HE2 LYS A 99 19.809 7.279 0.329 1.00 0.00 H new ATOM 0 HE3 LYS A 99 21.232 6.290 0.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.359 7.077 -1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.899 5.448 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.745 6.677 -1.947 1.00 0.00 H new ATOM 1423 N ASN A 100 14.618 5.784 0.870 1.00 0.00 N ATOM 1424 CA ASN A 100 13.918 7.063 0.907 1.00 0.00 C ATOM 1425 C ASN A 100 13.535 7.432 2.337 1.00 0.00 C ATOM 1426 O ASN A 100 13.315 8.602 2.650 1.00 0.00 O ATOM 1427 CB ASN A 100 12.666 7.008 0.030 1.00 0.00 C ATOM 1428 CG ASN A 100 12.958 7.353 -1.417 1.00 0.00 C ATOM 1429 OD1 ASN A 100 13.708 6.651 -2.096 1.00 0.00 O ATOM 1430 ND2 ASN A 100 12.366 8.441 -1.897 1.00 0.00 N ATOM 0 H ASN A 100 14.166 5.072 0.296 1.00 0.00 H new ATOM 0 HA ASN A 100 14.591 7.829 0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 100 12.233 6.009 0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.920 7.700 0.422 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.526 8.724 -2.864 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.752 8.993 -1.299 1.00 0.00 H new ATOM 1437 N CYS A 101 13.458 6.426 3.202 1.00 0.00 N ATOM 1438 CA CYS A 101 13.102 6.643 4.599 1.00 0.00 C ATOM 1439 C CYS A 101 14.352 6.768 5.465 1.00 0.00 C ATOM 1440 O CYS A 101 14.430 7.631 6.340 1.00 0.00 O ATOM 1441 CB CYS A 101 12.227 5.496 5.108 1.00 0.00 C ATOM 1442 SG CYS A 101 10.443 5.746 4.841 1.00 0.00 S ATOM 0 H CYS A 101 13.638 5.452 2.960 1.00 0.00 H new ATOM 0 HA CYS A 101 12.541 7.575 4.665 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.532 4.574 4.613 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.408 5.361 6.174 1.00 0.00 H new ATOM 1447 N ARG A 102 15.327 5.900 5.216 1.00 0.00 N ATOM 1448 CA ARG A 102 16.573 5.912 5.974 1.00 0.00 C ATOM 1449 C ARG A 102 17.307 7.237 5.791 1.00 0.00 C ATOM 1450 O ARG A 102 18.242 7.546 6.530 1.00 0.00 O ATOM 1451 CB ARG A 102 17.472 4.754 5.536 1.00 0.00 C ATOM 1452 CG ARG A 102 18.443 5.123 4.427 1.00 0.00 C ATOM 1453 CD ARG A 102 19.419 3.992 4.142 1.00 0.00 C ATOM 1454 NE ARG A 102 20.632 4.101 4.948 1.00 0.00 N ATOM 1455 CZ ARG A 102 21.581 3.171 4.976 1.00 0.00 C ATOM 1456 NH1 ARG A 102 21.458 2.070 4.248 1.00 0.00 N ATOM 1457 NH2 ARG A 102 22.657 3.343 5.735 1.00 0.00 N ATOM 0 H ARG A 102 15.278 5.180 4.496 1.00 0.00 H new ATOM 0 HA ARG A 102 16.329 5.794 7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 102 18.036 4.397 6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.847 3.927 5.200 1.00 0.00 H new ATOM 0 HG2 ARG A 102 17.887 5.363 3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 102 18.995 6.019 4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 102 18.935 3.036 4.342 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.684 3.999 3.085 1.00 0.00 H new ATOM 0 HE ARG A 102 20.758 4.936 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.633 1.934 3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.188 1.358 4.272 1.00 0.00 H new ATOM 0 HH21 ARG A 102 22.755 4.189 6.297 1.00 0.00 H new ATOM 0 HH22 ARG A 102 23.385 2.629 5.757 1.00 0.00 H new ATOM 1471 N ILE A 103 16.877 8.015 4.803 1.00 0.00 N ATOM 1472 CA ILE A 103 17.494 9.306 4.524 1.00 0.00 C ATOM 1473 C ILE A 103 17.694 10.107 5.806 1.00 0.00 C ATOM 1474 O ILE A 103 16.843 10.096 6.697 1.00 0.00 O ATOM 1475 CB ILE A 103 16.645 10.134 3.541 1.00 0.00 C ATOM 1476 CG1 ILE A 103 16.550 9.422 2.191 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.238 11.525 3.372 1.00 0.00 C ATOM 1478 CD1 ILE A 103 17.815 8.688 1.804 1.00 0.00 C ATOM 0 H ILE A 103 16.104 7.774 4.183 1.00 0.00 H new ATOM 0 HA ILE A 103 18.464 9.102 4.071 1.00 0.00 H new ATOM 0 HB ILE A 103 15.639 10.236 3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.723 8.713 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 103 16.314 10.154 1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 103 16.627 12.099 2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 103 17.259 12.031 4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.253 11.443 2.983 1.00 0.00 H new ATOM 0 HD11 ILE A 103 17.675 8.207 0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 103 18.642 9.396 1.741 1.00 0.00 H new ATOM 0 HD13 ILE A 103 18.041 7.932 2.556 1.00 0.00 H new ATOM 1490 N CYS A 104 18.822 10.803 5.892 1.00 0.00 N ATOM 1491 CA CYS A 104 19.134 11.612 7.065 1.00 0.00 C ATOM 1492 C CYS A 104 18.721 13.065 6.849 1.00 0.00 C ATOM 1493 O CYS A 104 19.305 13.770 6.025 1.00 0.00 O ATOM 1494 CB CYS A 104 20.628 11.536 7.380 1.00 0.00 C ATOM 1495 SG CYS A 104 21.205 9.881 7.825 1.00 0.00 S ATOM 0 H CYS A 104 19.536 10.823 5.164 1.00 0.00 H new ATOM 0 HA CYS A 104 18.571 11.215 7.910 1.00 0.00 H new ATOM 0 HB2 CYS A 104 21.189 11.884 6.513 1.00 0.00 H new ATOM 0 HB3 CYS A 104 20.851 12.219 8.199 1.00 0.00 H new ATOM 0 HG CYS A 104 22.481 9.918 8.071 1.00 0.00 H new ATOM 1501 N ILE A 105 17.711 13.504 7.592 1.00 0.00 N ATOM 1502 CA ILE A 105 17.220 14.872 7.481 1.00 0.00 C ATOM 1503 C ILE A 105 18.272 15.873 7.946 1.00 0.00 C ATOM 1504 O ILE A 105 19.344 15.490 8.414 1.00 0.00 O ATOM 1505 CB ILE A 105 15.934 15.077 8.303 1.00 0.00 C ATOM 1506 CG1 ILE A 105 16.178 14.720 9.771 1.00 0.00 C ATOM 1507 CG2 ILE A 105 14.800 14.239 7.730 1.00 0.00 C ATOM 1508 CD1 ILE A 105 15.336 15.524 10.736 1.00 0.00 C ATOM 0 H ILE A 105 17.217 12.932 8.277 1.00 0.00 H new ATOM 0 HA ILE A 105 16.999 15.043 6.427 1.00 0.00 H new ATOM 0 HB ILE A 105 15.648 16.127 8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 105 15.972 13.660 9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 105 17.231 14.875 10.004 1.00 0.00 H new ATOM 0 HG21 ILE A 105 13.898 14.395 8.322 1.00 0.00 H new ATOM 0 HG22 ILE A 105 14.613 14.537 6.698 1.00 0.00 H new ATOM 0 HG23 ILE A 105 15.076 13.185 7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 105 15.561 15.218 11.758 1.00 0.00 H new ATOM 0 HD12 ILE A 105 15.559 16.584 10.617 1.00 0.00 H new ATOM 0 HD13 ILE A 105 14.280 15.350 10.530 1.00 0.00 H new ATOM 1520 N SER A 106 17.957 17.158 7.815 1.00 0.00 N ATOM 1521 CA SER A 106 18.876 18.215 8.219 1.00 0.00 C ATOM 1522 C SER A 106 19.669 17.802 9.456 1.00 0.00 C ATOM 1523 O SER A 106 19.103 17.581 10.525 1.00 0.00 O ATOM 1524 CB SER A 106 18.107 19.508 8.501 1.00 0.00 C ATOM 1525 OG SER A 106 18.894 20.415 9.254 1.00 0.00 O ATOM 0 H SER A 106 17.072 17.492 7.432 1.00 0.00 H new ATOM 0 HA SER A 106 19.575 18.387 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 106 17.812 19.972 7.560 1.00 0.00 H new ATOM 0 HB3 SER A 106 17.190 19.279 9.045 1.00 0.00 H new ATOM 0 HG SER A 106 18.381 21.234 9.420 1.00 0.00 H new ATOM 1531 N GLY A 107 20.986 17.700 9.300 1.00 0.00 N ATOM 1532 CA GLY A 107 21.836 17.313 10.410 1.00 0.00 C ATOM 1533 C GLY A 107 22.758 18.433 10.852 1.00 0.00 C ATOM 1534 O GLY A 107 23.171 19.276 10.055 1.00 0.00 O ATOM 0 H GLY A 107 21.479 17.879 8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 107 21.214 17.006 11.250 1.00 0.00 H new ATOM 0 HA3 GLY A 107 22.433 16.447 10.122 1.00 0.00 H new ATOM 1538 N PRO A 108 23.092 18.451 12.150 1.00 0.00 N ATOM 1539 CA PRO A 108 23.973 19.472 12.726 1.00 0.00 C ATOM 1540 C PRO A 108 25.416 19.324 12.256 1.00 0.00 C ATOM 1541 O PRO A 108 26.273 20.147 12.581 1.00 0.00 O ATOM 1542 CB PRO A 108 23.873 19.218 14.232 1.00 0.00 C ATOM 1543 CG PRO A 108 23.500 17.781 14.350 1.00 0.00 C ATOM 1544 CD PRO A 108 22.637 17.478 13.157 1.00 0.00 C ATOM 0 HA PRO A 108 23.679 20.479 12.429 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.820 19.424 14.732 1.00 0.00 H new ATOM 0 HB3 PRO A 108 23.123 19.861 14.693 1.00 0.00 H new ATOM 0 HG2 PRO A 108 24.387 17.147 14.361 1.00 0.00 H new ATOM 0 HG3 PRO A 108 22.962 17.593 15.279 1.00 0.00 H new ATOM 0 HD2 PRO A 108 22.772 16.452 12.814 1.00 0.00 H new ATOM 0 HD3 PRO A 108 21.578 17.601 13.385 1.00 0.00 H new ATOM 1552 N SER A 109 25.679 18.271 11.489 1.00 0.00 N ATOM 1553 CA SER A 109 27.020 18.014 10.976 1.00 0.00 C ATOM 1554 C SER A 109 27.482 19.150 10.069 1.00 0.00 C ATOM 1555 O SER A 109 26.931 19.359 8.988 1.00 0.00 O ATOM 1556 CB SER A 109 27.051 16.690 10.210 1.00 0.00 C ATOM 1557 OG SER A 109 28.382 16.243 10.017 1.00 0.00 O ATOM 0 H SER A 109 24.981 17.582 11.209 1.00 0.00 H new ATOM 0 HA SER A 109 27.701 17.951 11.825 1.00 0.00 H new ATOM 0 HB2 SER A 109 26.487 15.936 10.758 1.00 0.00 H new ATOM 0 HB3 SER A 109 26.562 16.814 9.244 1.00 0.00 H new ATOM 0 HG SER A 109 28.374 15.394 9.527 1.00 0.00 H new ATOM 1563 N SER A 110 28.497 19.881 10.518 1.00 0.00 N ATOM 1564 CA SER A 110 29.032 21.000 9.750 1.00 0.00 C ATOM 1565 C SER A 110 30.522 20.811 9.481 1.00 0.00 C ATOM 1566 O SER A 110 31.310 21.746 9.608 1.00 0.00 O ATOM 1567 CB SER A 110 28.799 22.315 10.495 1.00 0.00 C ATOM 1568 OG SER A 110 28.980 23.427 9.635 1.00 0.00 O ATOM 0 H SER A 110 28.966 19.719 11.409 1.00 0.00 H new ATOM 0 HA SER A 110 28.510 21.035 8.794 1.00 0.00 H new ATOM 0 HB2 SER A 110 27.790 22.330 10.906 1.00 0.00 H new ATOM 0 HB3 SER A 110 29.487 22.387 11.337 1.00 0.00 H new ATOM 0 HG SER A 110 29.872 23.387 9.231 1.00 0.00 H new ATOM 1574 N GLY A 111 30.899 19.591 9.108 1.00 0.00 N ATOM 1575 CA GLY A 111 32.293 19.300 8.827 1.00 0.00 C ATOM 1576 C GLY A 111 32.906 18.359 9.845 1.00 0.00 C ATOM 1577 O GLY A 111 33.124 17.192 9.526 1.00 0.00 O ATOM 0 H GLY A 111 30.265 18.800 8.996 1.00 0.00 H new ATOM 0 HA2 GLY A 111 32.376 18.859 7.834 1.00 0.00 H new ATOM 0 HA3 GLY A 111 32.859 20.231 8.811 1.00 0.00 H new TER 1581 GLY A 111 HETATM 1582 ZN ZN A 301 -11.264 -2.644 8.335 1.00 0.00 ZN HETATM 1583 ZN ZN A 501 -5.457 0.917 -4.518 1.00 0.00 ZN HETATM 1584 ZN ZN A 701 11.173 -3.297 -9.297 1.00 0.00 ZN HETATM 1585 ZN ZN A 901 10.133 3.922 3.400 1.00 0.00 ZN