USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 931 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS : no HE2:sc= 0.0273 K(o=0.037,f=-2.8!) USER MOD Set 1.2: A 94 SER OG : rot -29:sc= 0.00984 USER MOD Set 2.1: A 89 HIS : no HD1:sc= 0.915 K(o=2.2,f=-5.1!) USER MOD Set 2.2: A 119 THR OG1 : rot 92:sc= 1.28 USER MOD Set 3.1: A 28 HIS : no HD1:sc= 1.01 K(o=2.3,f=-5.5!) USER MOD Set 3.2: A 40 SER OG : rot -133:sc= 1.32 USER MOD Set 4.1: A 22 TYR OH : rot -129:sc= 0.842 USER MOD Set 4.2: A 102 HIS : no HE2:sc= -0.282 K(o=1.4,f=-0.034) USER MOD Set 4.3: A 105 SER OG : rot -99:sc= 0.806 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -151:sc= 0.56 (180deg=0.209) USER MOD Single : A 16 SER OG : rot -150:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= 1.18 (180deg=1.12) USER MOD Single : A 29 SER OG : rot 62:sc= 1.01 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= 2.06 (180deg=0.867) USER MOD Single : A 47 TYR OH : rot 180:sc= 1.23 USER MOD Single : A 48 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.18) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= 0.0355 (180deg=0) USER MOD Single : A 61 SER OG : rot 90:sc= 1.26 USER MOD Single : A 64 MET CE :methyl -147:sc= -0.501 (180deg=-1.21) USER MOD Single : A 65 GLN : amide:sc= 0.59 K(o=0.59,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.603) USER MOD Single : A 67 GLN : amide:sc= 0.853 K(o=0.85,f=-4.9!) USER MOD Single : A 69 CYS SG : rot 160:sc= -0.0672 USER MOD Single : A 71 CYS SG : rot 90:sc= -2.37 USER MOD Single : A 73 CYS SG : rot 131:sc= 1.54 USER MOD Single : A 80 SER OG : rot 130:sc= 0.944 USER MOD Single : A 81 HIS : no HE2:sc= 0.843 K(o=0.84,f=-2.9!) USER MOD Single : A 82 GLN : amide:sc= 0.51 K(o=0.51,f=-8.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0.886 K(o=0.89,f=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 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 100:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.549 K(o=-0.55,f=-3.7!) USER MOD Single : A 106 THR OG1 : rot 21:sc= 0.187 USER MOD Single : A 108 LYS NZ :NH3+ -118:sc= 0.469 (180deg=-0.71!) USER MOD Single : A 110 LYS NZ :NH3+ 133:sc= 1.25 (180deg=0.554) USER MOD Single : A 112 LYS NZ :NH3+ 169:sc= 0.761 (180deg=0.69) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.253 K(o=-0.25,f=-0.89) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.867 8.978 16.174 1.00 0.00 N ATOM 2 CA MET A 1 14.523 9.527 14.839 1.00 0.00 C ATOM 3 C MET A 1 13.064 10.008 14.803 1.00 0.00 C ATOM 4 O MET A 1 12.343 9.912 15.801 1.00 0.00 O ATOM 5 CB MET A 1 14.863 8.534 13.697 1.00 0.00 C ATOM 6 CG MET A 1 13.873 7.377 13.471 1.00 0.00 C ATOM 7 SD MET A 1 13.636 6.223 14.853 1.00 0.00 S ATOM 8 CE MET A 1 12.432 5.095 14.099 1.00 0.00 C ATOM 0 H1 MET A 1 15.882 9.115 16.355 1.00 0.00 H new ATOM 0 H2 MET A 1 14.315 9.471 16.905 1.00 0.00 H new ATOM 0 H3 MET A 1 14.645 7.962 16.199 1.00 0.00 H new ATOM 0 HA MET A 1 15.149 10.402 14.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.945 9.098 12.768 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.846 8.107 13.898 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.904 7.804 13.215 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.209 6.806 12.605 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.169 4.314 14.812 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.536 5.651 13.823 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.867 4.641 13.208 1.00 0.00 H new ATOM 20 N ALA A 2 12.610 10.515 13.651 1.00 0.00 N ATOM 21 CA ALA A 2 11.222 10.873 13.380 1.00 0.00 C ATOM 22 C ALA A 2 10.881 10.418 11.960 1.00 0.00 C ATOM 23 O ALA A 2 11.784 10.152 11.161 1.00 0.00 O ATOM 24 CB ALA A 2 11.036 12.389 13.537 1.00 0.00 C ATOM 0 H ALA A 2 13.225 10.692 12.857 1.00 0.00 H new ATOM 0 HA ALA A 2 10.552 10.383 14.086 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.998 12.651 13.334 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.292 12.683 14.555 1.00 0.00 H new ATOM 0 HB3 ALA A 2 11.686 12.910 12.834 1.00 0.00 H new ATOM 30 N VAL A 3 9.590 10.313 11.646 1.00 0.00 N ATOM 31 CA VAL A 3 9.097 9.883 10.345 1.00 0.00 C ATOM 32 C VAL A 3 9.435 10.891 9.232 1.00 0.00 C ATOM 33 O VAL A 3 9.826 12.034 9.483 1.00 0.00 O ATOM 34 CB VAL A 3 7.581 9.593 10.431 1.00 0.00 C ATOM 35 CG1 VAL A 3 7.331 8.281 11.185 1.00 0.00 C ATOM 36 CG2 VAL A 3 6.761 10.726 11.070 1.00 0.00 C ATOM 0 H VAL A 3 8.844 10.530 12.307 1.00 0.00 H new ATOM 0 HA VAL A 3 9.608 8.960 10.072 1.00 0.00 H new ATOM 0 HB VAL A 3 7.237 9.509 9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.259 8.090 11.238 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.820 7.461 10.660 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.736 8.359 12.194 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.708 10.445 11.093 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.112 10.901 12.087 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.880 11.637 10.484 1.00 0.00 H new ATOM 46 N ALA A 4 9.246 10.440 7.992 1.00 0.00 N ATOM 47 CA ALA A 4 9.275 11.221 6.764 1.00 0.00 C ATOM 48 C ALA A 4 8.072 10.743 5.937 1.00 0.00 C ATOM 49 O ALA A 4 7.297 9.900 6.399 1.00 0.00 O ATOM 50 CB ALA A 4 10.623 11.046 6.039 1.00 0.00 C ATOM 0 H ALA A 4 9.056 9.454 7.811 1.00 0.00 H new ATOM 0 HA ALA A 4 9.195 12.292 6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 4 10.623 11.638 5.124 1.00 0.00 H new ATOM 0 HB2 ALA A 4 11.432 11.381 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 4 10.769 9.995 5.791 1.00 0.00 H new ATOM 56 N ASP A 5 7.898 11.259 4.724 1.00 0.00 N ATOM 57 CA ASP A 5 6.749 10.957 3.875 1.00 0.00 C ATOM 58 C ASP A 5 7.217 10.883 2.427 1.00 0.00 C ATOM 59 O ASP A 5 8.205 11.529 2.069 1.00 0.00 O ATOM 60 CB ASP A 5 5.679 12.044 4.044 1.00 0.00 C ATOM 61 CG ASP A 5 4.472 11.777 3.133 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.589 10.981 3.519 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.427 12.342 2.020 1.00 0.00 O ATOM 0 H ASP A 5 8.560 11.907 4.297 1.00 0.00 H new ATOM 0 HA ASP A 5 6.311 10.001 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.353 12.080 5.084 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.106 13.019 3.810 1.00 0.00 H new ATOM 68 N LEU A 6 6.508 10.115 1.595 1.00 0.00 N ATOM 69 CA LEU A 6 6.818 9.929 0.183 1.00 0.00 C ATOM 70 C LEU A 6 7.023 11.253 -0.564 1.00 0.00 C ATOM 71 O LEU A 6 7.860 11.313 -1.462 1.00 0.00 O ATOM 72 CB LEU A 6 5.687 9.144 -0.500 1.00 0.00 C ATOM 73 CG LEU A 6 5.588 7.629 -0.240 1.00 0.00 C ATOM 74 CD1 LEU A 6 4.499 7.062 -1.164 1.00 0.00 C ATOM 75 CD2 LEU A 6 6.907 6.879 -0.476 1.00 0.00 C ATOM 0 H LEU A 6 5.684 9.595 1.896 1.00 0.00 H new ATOM 0 HA LEU A 6 7.756 9.376 0.140 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.741 9.595 -0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.783 9.291 -1.576 1.00 0.00 H new ATOM 0 HG LEU A 6 5.344 7.485 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.407 5.988 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.547 7.546 -0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.770 7.250 -2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.763 5.818 -0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.221 7.012 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.674 7.274 0.190 1.00 0.00 H new ATOM 87 N ALA A 7 6.287 12.311 -0.209 1.00 0.00 N ATOM 88 CA ALA A 7 6.380 13.605 -0.870 1.00 0.00 C ATOM 89 C ALA A 7 7.723 14.302 -0.613 1.00 0.00 C ATOM 90 O ALA A 7 8.127 15.156 -1.403 1.00 0.00 O ATOM 91 CB ALA A 7 5.227 14.504 -0.410 1.00 0.00 C ATOM 0 H ALA A 7 5.607 12.287 0.551 1.00 0.00 H new ATOM 0 HA ALA A 7 6.311 13.428 -1.943 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.300 15.472 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.276 14.036 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.284 14.645 0.669 1.00 0.00 H new ATOM 97 N LEU A 8 8.407 13.968 0.489 1.00 0.00 N ATOM 98 CA LEU A 8 9.683 14.576 0.866 1.00 0.00 C ATOM 99 C LEU A 8 10.848 13.938 0.105 1.00 0.00 C ATOM 100 O LEU A 8 11.930 14.524 0.048 1.00 0.00 O ATOM 101 CB LEU A 8 9.926 14.446 2.383 1.00 0.00 C ATOM 102 CG LEU A 8 8.835 15.063 3.282 1.00 0.00 C ATOM 103 CD1 LEU A 8 9.225 14.894 4.755 1.00 0.00 C ATOM 104 CD2 LEU A 8 8.600 16.552 2.994 1.00 0.00 C ATOM 0 H LEU A 8 8.084 13.260 1.149 1.00 0.00 H new ATOM 0 HA LEU A 8 9.630 15.632 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.021 13.388 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.880 14.916 2.623 1.00 0.00 H new ATOM 0 HG LEU A 8 7.907 14.535 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.453 15.331 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.326 13.833 4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.174 15.398 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.822 16.932 3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.524 17.106 3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.287 16.677 1.957 1.00 0.00 H new ATOM 116 N ILE A 9 10.657 12.733 -0.440 1.00 0.00 N ATOM 117 CA ILE A 9 11.691 11.982 -1.143 1.00 0.00 C ATOM 118 C ILE A 9 12.152 12.802 -2.368 1.00 0.00 C ATOM 119 O ILE A 9 11.289 13.279 -3.109 1.00 0.00 O ATOM 120 CB ILE A 9 11.133 10.589 -1.527 1.00 0.00 C ATOM 121 CG1 ILE A 9 10.774 9.810 -0.236 1.00 0.00 C ATOM 122 CG2 ILE A 9 12.140 9.808 -2.383 1.00 0.00 C ATOM 123 CD1 ILE A 9 10.266 8.385 -0.459 1.00 0.00 C ATOM 0 H ILE A 9 9.761 12.247 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 9 12.563 11.816 -0.510 1.00 0.00 H new ATOM 0 HB ILE A 9 10.232 10.718 -2.128 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.657 9.769 0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.013 10.370 0.308 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.722 8.834 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.349 10.364 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.065 9.671 -1.822 1.00 0.00 H new ATOM 0 HD11 ILE A 9 10.042 7.924 0.503 1.00 0.00 H new ATOM 0 HD12 ILE A 9 9.362 8.412 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.031 7.802 -0.972 1.00 0.00 H new ATOM 135 N PRO A 10 13.472 12.965 -2.613 1.00 0.00 N ATOM 136 CA PRO A 10 13.998 13.538 -3.851 1.00 0.00 C ATOM 137 C PRO A 10 13.469 12.756 -5.058 1.00 0.00 C ATOM 138 O PRO A 10 13.829 11.590 -5.260 1.00 0.00 O ATOM 139 CB PRO A 10 15.530 13.500 -3.738 1.00 0.00 C ATOM 140 CG PRO A 10 15.779 13.399 -2.234 1.00 0.00 C ATOM 141 CD PRO A 10 14.569 12.620 -1.721 1.00 0.00 C ATOM 0 HA PRO A 10 13.674 14.568 -3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.950 12.647 -4.272 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.985 14.396 -4.160 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.712 12.879 -2.016 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.847 14.384 -1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.760 11.547 -1.733 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.337 12.891 -0.691 1.00 0.00 H new ATOM 149 N ASP A 11 12.586 13.381 -5.836 1.00 0.00 N ATOM 150 CA ASP A 11 11.829 12.699 -6.882 1.00 0.00 C ATOM 151 C ASP A 11 12.672 12.423 -8.129 1.00 0.00 C ATOM 152 O ASP A 11 12.584 11.347 -8.722 1.00 0.00 O ATOM 153 CB ASP A 11 10.613 13.551 -7.247 1.00 0.00 C ATOM 154 CG ASP A 11 9.627 12.736 -8.078 1.00 0.00 C ATOM 155 OD1 ASP A 11 9.717 12.709 -9.318 1.00 0.00 O ATOM 156 OD2 ASP A 11 8.726 12.106 -7.485 1.00 0.00 O ATOM 0 H ASP A 11 12.376 14.376 -5.758 1.00 0.00 H new ATOM 0 HA ASP A 11 11.514 11.730 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.126 13.909 -6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.931 14.430 -7.807 1.00 0.00 H new ATOM 161 N VAL A 12 13.540 13.374 -8.483 1.00 0.00 N ATOM 162 CA VAL A 12 14.400 13.324 -9.656 1.00 0.00 C ATOM 163 C VAL A 12 15.758 13.843 -9.209 1.00 0.00 C ATOM 164 O VAL A 12 15.853 14.971 -8.713 1.00 0.00 O ATOM 165 CB VAL A 12 13.830 14.196 -10.799 1.00 0.00 C ATOM 166 CG1 VAL A 12 14.711 14.141 -12.058 1.00 0.00 C ATOM 167 CG2 VAL A 12 12.405 13.813 -11.202 1.00 0.00 C ATOM 0 H VAL A 12 13.664 14.227 -7.938 1.00 0.00 H new ATOM 0 HA VAL A 12 14.472 12.309 -10.046 1.00 0.00 H new ATOM 0 HB VAL A 12 13.818 15.207 -10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.274 14.767 -12.836 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.711 14.504 -11.819 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.774 13.112 -12.413 1.00 0.00 H new ATOM 0 HG21 VAL A 12 12.067 14.464 -12.008 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.389 12.777 -11.541 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.742 13.924 -10.344 1.00 0.00 H new ATOM 177 N ASP A 13 16.804 13.048 -9.406 1.00 0.00 N ATOM 178 CA ASP A 13 18.185 13.476 -9.234 1.00 0.00 C ATOM 179 C ASP A 13 19.009 12.725 -10.271 1.00 0.00 C ATOM 180 O ASP A 13 19.235 11.522 -10.134 1.00 0.00 O ATOM 181 CB ASP A 13 18.684 13.218 -7.807 1.00 0.00 C ATOM 182 CG ASP A 13 20.181 13.539 -7.679 1.00 0.00 C ATOM 183 OD1 ASP A 13 20.632 14.591 -8.186 1.00 0.00 O ATOM 184 OD2 ASP A 13 20.908 12.751 -7.033 1.00 0.00 O ATOM 0 H ASP A 13 16.714 12.074 -9.694 1.00 0.00 H new ATOM 0 HA ASP A 13 18.277 14.552 -9.382 1.00 0.00 H new ATOM 0 HB2 ASP A 13 18.117 13.828 -7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.508 12.176 -7.539 1.00 0.00 H new ATOM 189 N ILE A 14 19.372 13.414 -11.355 1.00 0.00 N ATOM 190 CA ILE A 14 19.973 12.815 -12.539 1.00 0.00 C ATOM 191 C ILE A 14 21.176 13.644 -12.992 1.00 0.00 C ATOM 192 O ILE A 14 21.246 14.859 -12.789 1.00 0.00 O ATOM 193 CB ILE A 14 18.931 12.641 -13.673 1.00 0.00 C ATOM 194 CG1 ILE A 14 18.226 13.965 -14.050 1.00 0.00 C ATOM 195 CG2 ILE A 14 17.904 11.556 -13.297 1.00 0.00 C ATOM 196 CD1 ILE A 14 17.428 13.888 -15.357 1.00 0.00 C ATOM 0 H ILE A 14 19.252 14.424 -11.431 1.00 0.00 H new ATOM 0 HA ILE A 14 20.327 11.816 -12.284 1.00 0.00 H new ATOM 0 HB ILE A 14 19.477 12.321 -14.561 1.00 0.00 H new ATOM 0 HG12 ILE A 14 17.554 14.252 -13.241 1.00 0.00 H new ATOM 0 HG13 ILE A 14 18.974 14.753 -14.137 1.00 0.00 H new ATOM 0 HG21 ILE A 14 17.179 11.446 -14.104 1.00 0.00 H new ATOM 0 HG22 ILE A 14 18.418 10.608 -13.139 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.387 11.846 -12.382 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.962 14.853 -15.556 1.00 0.00 H new ATOM 0 HD12 ILE A 14 18.098 13.632 -16.178 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.656 13.124 -15.267 1.00 0.00 H new ATOM 208 N ASP A 15 22.129 12.957 -13.609 1.00 0.00 N ATOM 209 CA ASP A 15 23.431 13.474 -14.013 1.00 0.00 C ATOM 210 C ASP A 15 23.362 14.028 -15.438 1.00 0.00 C ATOM 211 O ASP A 15 23.965 13.496 -16.370 1.00 0.00 O ATOM 212 CB ASP A 15 24.432 12.331 -13.862 1.00 0.00 C ATOM 213 CG ASP A 15 25.896 12.699 -14.092 1.00 0.00 C ATOM 214 OD1 ASP A 15 26.255 13.893 -14.186 1.00 0.00 O ATOM 215 OD2 ASP A 15 26.714 11.750 -14.104 1.00 0.00 O ATOM 0 H ASP A 15 22.009 11.974 -13.854 1.00 0.00 H new ATOM 0 HA ASP A 15 23.749 14.308 -13.388 1.00 0.00 H new ATOM 0 HB2 ASP A 15 24.334 11.917 -12.859 1.00 0.00 H new ATOM 0 HB3 ASP A 15 24.161 11.540 -14.561 1.00 0.00 H new ATOM 220 N SER A 16 22.559 15.078 -15.624 1.00 0.00 N ATOM 221 CA SER A 16 22.286 15.729 -16.908 1.00 0.00 C ATOM 222 C SER A 16 23.530 16.304 -17.618 1.00 0.00 C ATOM 223 O SER A 16 23.410 16.840 -18.721 1.00 0.00 O ATOM 224 CB SER A 16 21.257 16.842 -16.662 1.00 0.00 C ATOM 225 OG SER A 16 20.132 16.343 -15.957 1.00 0.00 O ATOM 0 H SER A 16 22.060 15.517 -14.851 1.00 0.00 H new ATOM 0 HA SER A 16 21.908 14.963 -17.585 1.00 0.00 H new ATOM 0 HB2 SER A 16 21.718 17.650 -16.094 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.937 17.264 -17.615 1.00 0.00 H new ATOM 0 HG SER A 16 19.335 16.855 -16.208 1.00 0.00 H new ATOM 231 N ASP A 17 24.718 16.224 -17.007 1.00 0.00 N ATOM 232 CA ASP A 17 25.977 16.715 -17.564 1.00 0.00 C ATOM 233 C ASP A 17 26.389 15.982 -18.849 1.00 0.00 C ATOM 234 O ASP A 17 27.147 16.535 -19.648 1.00 0.00 O ATOM 235 CB ASP A 17 27.080 16.567 -16.509 1.00 0.00 C ATOM 236 CG ASP A 17 28.441 17.073 -17.016 1.00 0.00 C ATOM 237 OD1 ASP A 17 28.609 18.301 -17.189 1.00 0.00 O ATOM 238 OD2 ASP A 17 29.366 16.249 -17.191 1.00 0.00 O ATOM 0 H ASP A 17 24.829 15.803 -16.085 1.00 0.00 H new ATOM 0 HA ASP A 17 25.832 17.762 -17.831 1.00 0.00 H new ATOM 0 HB2 ASP A 17 26.800 17.120 -15.613 1.00 0.00 H new ATOM 0 HB3 ASP A 17 27.168 15.519 -16.222 1.00 0.00 H new ATOM 243 N GLY A 18 25.895 14.759 -19.079 1.00 0.00 N ATOM 244 CA GLY A 18 26.302 13.942 -20.214 1.00 0.00 C ATOM 245 C GLY A 18 25.400 12.729 -20.421 1.00 0.00 C ATOM 246 O GLY A 18 24.374 12.572 -19.754 1.00 0.00 O ATOM 0 H GLY A 18 25.201 14.313 -18.479 1.00 0.00 H new ATOM 0 HA2 GLY A 18 26.295 14.553 -21.117 1.00 0.00 H new ATOM 0 HA3 GLY A 18 27.328 13.605 -20.065 1.00 0.00 H new ATOM 250 N VAL A 19 25.775 11.897 -21.392 1.00 0.00 N ATOM 251 CA VAL A 19 25.025 10.720 -21.811 1.00 0.00 C ATOM 252 C VAL A 19 25.379 9.577 -20.852 1.00 0.00 C ATOM 253 O VAL A 19 26.477 9.023 -20.947 1.00 0.00 O ATOM 254 CB VAL A 19 25.362 10.397 -23.287 1.00 0.00 C ATOM 255 CG1 VAL A 19 24.546 9.209 -23.815 1.00 0.00 C ATOM 256 CG2 VAL A 19 25.110 11.611 -24.198 1.00 0.00 C ATOM 0 H VAL A 19 26.636 12.030 -21.923 1.00 0.00 H new ATOM 0 HA VAL A 19 23.948 10.884 -21.766 1.00 0.00 H new ATOM 0 HB VAL A 19 26.421 10.138 -23.307 1.00 0.00 H new ATOM 0 HG11 VAL A 19 24.814 9.017 -24.854 1.00 0.00 H new ATOM 0 HG12 VAL A 19 24.761 8.325 -23.215 1.00 0.00 H new ATOM 0 HG13 VAL A 19 23.483 9.441 -23.751 1.00 0.00 H new ATOM 0 HG21 VAL A 19 25.356 11.351 -25.227 1.00 0.00 H new ATOM 0 HG22 VAL A 19 24.061 11.899 -24.138 1.00 0.00 H new ATOM 0 HG23 VAL A 19 25.734 12.444 -23.875 1.00 0.00 H new ATOM 266 N PHE A 20 24.476 9.230 -19.930 1.00 0.00 N ATOM 267 CA PHE A 20 24.691 8.200 -18.911 1.00 0.00 C ATOM 268 C PHE A 20 23.388 7.428 -18.681 1.00 0.00 C ATOM 269 O PHE A 20 22.321 7.833 -19.151 1.00 0.00 O ATOM 270 CB PHE A 20 25.207 8.817 -17.594 1.00 0.00 C ATOM 271 CG PHE A 20 26.418 9.728 -17.728 1.00 0.00 C ATOM 272 CD1 PHE A 20 27.657 9.212 -18.161 1.00 0.00 C ATOM 273 CD2 PHE A 20 26.305 11.101 -17.442 1.00 0.00 C ATOM 274 CE1 PHE A 20 28.759 10.069 -18.337 1.00 0.00 C ATOM 275 CE2 PHE A 20 27.411 11.955 -17.603 1.00 0.00 C ATOM 276 CZ PHE A 20 28.635 11.443 -18.064 1.00 0.00 C ATOM 0 H PHE A 20 23.556 9.667 -19.871 1.00 0.00 H new ATOM 0 HA PHE A 20 25.456 7.509 -19.266 1.00 0.00 H new ATOM 0 HB2 PHE A 20 24.396 9.384 -17.137 1.00 0.00 H new ATOM 0 HB3 PHE A 20 25.457 8.008 -16.907 1.00 0.00 H new ATOM 0 HD1 PHE A 20 27.760 8.155 -18.358 1.00 0.00 H new ATOM 0 HD2 PHE A 20 25.363 11.502 -17.097 1.00 0.00 H new ATOM 0 HE1 PHE A 20 29.702 9.671 -18.682 1.00 0.00 H new ATOM 0 HE2 PHE A 20 27.319 13.006 -17.372 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.478 12.102 -18.208 1.00 0.00 H new ATOM 286 N LYS A 21 23.464 6.289 -17.989 1.00 0.00 N ATOM 287 CA LYS A 21 22.309 5.415 -17.790 1.00 0.00 C ATOM 288 C LYS A 21 21.474 5.882 -16.602 1.00 0.00 C ATOM 289 O LYS A 21 21.957 6.626 -15.746 1.00 0.00 O ATOM 290 CB LYS A 21 22.749 3.952 -17.620 1.00 0.00 C ATOM 291 CG LYS A 21 23.460 3.409 -18.870 1.00 0.00 C ATOM 292 CD LYS A 21 23.922 1.964 -18.652 1.00 0.00 C ATOM 293 CE LYS A 21 24.700 1.473 -19.881 1.00 0.00 C ATOM 294 NZ LYS A 21 25.251 0.109 -19.688 1.00 0.00 N ATOM 0 H LYS A 21 24.322 5.950 -17.554 1.00 0.00 H new ATOM 0 HA LYS A 21 21.684 5.472 -18.681 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.416 3.873 -16.762 1.00 0.00 H new ATOM 0 HB3 LYS A 21 21.877 3.335 -17.404 1.00 0.00 H new ATOM 0 HG2 LYS A 21 22.786 3.454 -19.725 1.00 0.00 H new ATOM 0 HG3 LYS A 21 24.318 4.038 -19.107 1.00 0.00 H new ATOM 0 HD2 LYS A 21 24.552 1.904 -17.764 1.00 0.00 H new ATOM 0 HD3 LYS A 21 23.060 1.320 -18.475 1.00 0.00 H new ATOM 0 HE2 LYS A 21 24.043 1.478 -20.751 1.00 0.00 H new ATOM 0 HE3 LYS A 21 25.515 2.165 -20.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 25.865 -0.134 -20.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 25.804 0.079 -18.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.470 -0.576 -19.630 1.00 0.00 H new ATOM 308 N TYR A 22 20.227 5.416 -16.537 1.00 0.00 N ATOM 309 CA TYR A 22 19.283 5.740 -15.477 1.00 0.00 C ATOM 310 C TYR A 22 18.413 4.511 -15.172 1.00 0.00 C ATOM 311 O TYR A 22 18.466 3.501 -15.888 1.00 0.00 O ATOM 312 CB TYR A 22 18.475 7.001 -15.861 1.00 0.00 C ATOM 313 CG TYR A 22 17.034 6.752 -16.246 1.00 0.00 C ATOM 314 CD1 TYR A 22 16.743 6.122 -17.464 1.00 0.00 C ATOM 315 CD2 TYR A 22 16.000 7.040 -15.335 1.00 0.00 C ATOM 316 CE1 TYR A 22 15.429 5.730 -17.756 1.00 0.00 C ATOM 317 CE2 TYR A 22 14.679 6.667 -15.628 1.00 0.00 C ATOM 318 CZ TYR A 22 14.390 6.002 -16.838 1.00 0.00 C ATOM 319 OH TYR A 22 13.113 5.636 -17.128 1.00 0.00 O ATOM 0 H TYR A 22 19.839 4.787 -17.240 1.00 0.00 H new ATOM 0 HA TYR A 22 19.806 5.986 -14.553 1.00 0.00 H new ATOM 0 HB2 TYR A 22 18.495 7.695 -15.021 1.00 0.00 H new ATOM 0 HB3 TYR A 22 18.976 7.494 -16.694 1.00 0.00 H new ATOM 0 HD1 TYR A 22 17.532 5.938 -18.178 1.00 0.00 H new ATOM 0 HD2 TYR A 22 16.224 7.549 -14.409 1.00 0.00 H new ATOM 0 HE1 TYR A 22 15.211 5.220 -18.683 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.886 6.889 -14.929 1.00 0.00 H new ATOM 0 HH TYR A 22 12.517 6.404 -17.006 1.00 0.00 H new ATOM 329 N VAL A 23 17.614 4.597 -14.111 1.00 0.00 N ATOM 330 CA VAL A 23 16.637 3.594 -13.720 1.00 0.00 C ATOM 331 C VAL A 23 15.401 4.323 -13.169 1.00 0.00 C ATOM 332 O VAL A 23 15.501 5.441 -12.643 1.00 0.00 O ATOM 333 CB VAL A 23 17.303 2.606 -12.735 1.00 0.00 C ATOM 334 CG1 VAL A 23 17.575 3.229 -11.357 1.00 0.00 C ATOM 335 CG2 VAL A 23 16.515 1.300 -12.576 1.00 0.00 C ATOM 0 H VAL A 23 17.633 5.398 -13.480 1.00 0.00 H new ATOM 0 HA VAL A 23 16.292 2.988 -14.558 1.00 0.00 H new ATOM 0 HB VAL A 23 18.264 2.365 -13.190 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.043 2.488 -10.709 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.240 4.085 -11.470 1.00 0.00 H new ATOM 0 HG13 VAL A 23 16.635 3.556 -10.914 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.031 0.647 -11.873 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.516 1.521 -12.200 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.436 0.802 -13.543 1.00 0.00 H new ATOM 345 N LEU A 24 14.240 3.670 -13.270 1.00 0.00 N ATOM 346 CA LEU A 24 12.954 4.170 -12.809 1.00 0.00 C ATOM 347 C LEU A 24 12.506 3.208 -11.721 1.00 0.00 C ATOM 348 O LEU A 24 12.310 2.026 -12.022 1.00 0.00 O ATOM 349 CB LEU A 24 11.961 4.188 -13.984 1.00 0.00 C ATOM 350 CG LEU A 24 10.553 4.724 -13.647 1.00 0.00 C ATOM 351 CD1 LEU A 24 10.568 6.203 -13.249 1.00 0.00 C ATOM 352 CD2 LEU A 24 9.652 4.569 -14.873 1.00 0.00 C ATOM 0 H LEU A 24 14.174 2.744 -13.692 1.00 0.00 H new ATOM 0 HA LEU A 24 13.013 5.188 -12.424 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.382 4.796 -14.785 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.863 3.174 -14.372 1.00 0.00 H new ATOM 0 HG LEU A 24 10.182 4.148 -12.800 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.553 6.529 -13.022 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.197 6.337 -12.369 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.965 6.797 -14.072 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.656 4.946 -14.642 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.070 5.135 -15.706 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.587 3.516 -15.146 1.00 0.00 H new ATOM 364 N ILE A 25 12.382 3.660 -10.470 1.00 0.00 N ATOM 365 CA ILE A 25 12.097 2.756 -9.356 1.00 0.00 C ATOM 366 C ILE A 25 10.844 3.212 -8.623 1.00 0.00 C ATOM 367 O ILE A 25 10.675 4.397 -8.336 1.00 0.00 O ATOM 368 CB ILE A 25 13.334 2.464 -8.451 1.00 0.00 C ATOM 369 CG1 ILE A 25 13.291 3.070 -7.032 1.00 0.00 C ATOM 370 CG2 ILE A 25 14.694 2.786 -9.103 1.00 0.00 C ATOM 371 CD1 ILE A 25 14.364 2.510 -6.091 1.00 0.00 C ATOM 0 H ILE A 25 12.474 4.641 -10.206 1.00 0.00 H new ATOM 0 HA ILE A 25 11.875 1.769 -9.762 1.00 0.00 H new ATOM 0 HB ILE A 25 13.250 1.383 -8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.412 4.151 -7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.308 2.887 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 25 15.497 2.553 -8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.815 2.189 -10.007 1.00 0.00 H new ATOM 0 HG23 ILE A 25 14.733 3.845 -9.360 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.272 2.982 -5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.232 1.433 -5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 25 15.352 2.716 -6.502 1.00 0.00 H new ATOM 383 N ARG A 26 9.958 2.258 -8.348 1.00 0.00 N ATOM 384 CA ARG A 26 8.808 2.416 -7.479 1.00 0.00 C ATOM 385 C ARG A 26 9.303 2.347 -6.042 1.00 0.00 C ATOM 386 O ARG A 26 10.234 1.599 -5.750 1.00 0.00 O ATOM 387 CB ARG A 26 7.807 1.291 -7.787 1.00 0.00 C ATOM 388 CG ARG A 26 6.504 1.416 -6.979 1.00 0.00 C ATOM 389 CD ARG A 26 5.312 0.710 -7.638 1.00 0.00 C ATOM 390 NE ARG A 26 5.531 -0.729 -7.890 1.00 0.00 N ATOM 391 CZ ARG A 26 4.600 -1.571 -8.363 1.00 0.00 C ATOM 392 NH1 ARG A 26 3.350 -1.158 -8.562 1.00 0.00 N ATOM 393 NH2 ARG A 26 4.921 -2.827 -8.639 1.00 0.00 N ATOM 0 H ARG A 26 10.029 1.320 -8.742 1.00 0.00 H new ATOM 0 HA ARG A 26 8.305 3.370 -7.635 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.572 1.301 -8.851 1.00 0.00 H new ATOM 0 HB3 ARG A 26 8.271 0.329 -7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.660 0.999 -5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 26 6.265 2.471 -6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.435 0.828 -7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.087 1.204 -8.583 1.00 0.00 H new ATOM 0 HE ARG A 26 6.456 -1.109 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.093 -0.193 -8.354 1.00 0.00 H new ATOM 0 HH12 ARG A 26 2.650 -1.806 -8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.876 -3.153 -8.492 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.213 -3.467 -8.999 1.00 0.00 H new ATOM 407 N VAL A 27 8.646 3.077 -5.152 1.00 0.00 N ATOM 408 CA VAL A 27 8.948 3.211 -3.740 1.00 0.00 C ATOM 409 C VAL A 27 7.599 3.073 -3.031 1.00 0.00 C ATOM 410 O VAL A 27 6.591 3.585 -3.527 1.00 0.00 O ATOM 411 CB VAL A 27 9.594 4.595 -3.486 1.00 0.00 C ATOM 412 CG1 VAL A 27 10.063 4.761 -2.036 1.00 0.00 C ATOM 413 CG2 VAL A 27 10.791 4.886 -4.409 1.00 0.00 C ATOM 0 H VAL A 27 7.831 3.629 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 27 9.654 2.464 -3.376 1.00 0.00 H new ATOM 0 HB VAL A 27 8.798 5.307 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.509 5.747 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.211 4.658 -1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.803 3.996 -1.803 1.00 0.00 H new ATOM 0 HG21 VAL A 27 11.197 5.871 -4.179 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.562 4.131 -4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.463 4.863 -5.448 1.00 0.00 H new ATOM 423 N HIS A 28 7.575 2.396 -1.884 1.00 0.00 N ATOM 424 CA HIS A 28 6.377 2.100 -1.104 1.00 0.00 C ATOM 425 C HIS A 28 6.513 2.784 0.256 1.00 0.00 C ATOM 426 O HIS A 28 7.610 2.826 0.823 1.00 0.00 O ATOM 427 CB HIS A 28 6.247 0.578 -0.945 1.00 0.00 C ATOM 428 CG HIS A 28 6.234 -0.174 -2.257 1.00 0.00 C ATOM 429 ND1 HIS A 28 5.246 -0.135 -3.214 1.00 0.00 N ATOM 430 CD2 HIS A 28 7.208 -1.015 -2.726 1.00 0.00 C ATOM 431 CE1 HIS A 28 5.609 -0.940 -4.224 1.00 0.00 C ATOM 432 NE2 HIS A 28 6.807 -1.499 -3.979 1.00 0.00 N ATOM 0 H HIS A 28 8.424 2.025 -1.457 1.00 0.00 H new ATOM 0 HA HIS A 28 5.481 2.470 -1.603 1.00 0.00 H new ATOM 0 HB2 HIS A 28 7.075 0.214 -0.336 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.329 0.356 -0.401 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.128 -1.263 -2.217 1.00 0.00 H new ATOM 0 HE1 HIS A 28 5.020 -1.115 -5.112 1.00 0.00 H new ATOM 0 HE2 HIS A 28 7.319 -2.143 -4.581 1.00 0.00 H new ATOM 440 N SER A 29 5.406 3.328 0.770 1.00 0.00 N ATOM 441 CA SER A 29 5.384 4.095 2.010 1.00 0.00 C ATOM 442 C SER A 29 5.769 3.207 3.200 1.00 0.00 C ATOM 443 O SER A 29 4.990 2.354 3.629 1.00 0.00 O ATOM 444 CB SER A 29 3.999 4.696 2.278 1.00 0.00 C ATOM 445 OG SER A 29 3.496 5.451 1.202 1.00 0.00 O ATOM 0 H SER A 29 4.491 3.245 0.328 1.00 0.00 H new ATOM 0 HA SER A 29 6.106 4.903 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.300 3.891 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.052 5.330 3.163 1.00 0.00 H new ATOM 0 HG SER A 29 3.393 4.873 0.417 1.00 0.00 H new ATOM 451 N ALA A 30 6.975 3.408 3.725 1.00 0.00 N ATOM 452 CA ALA A 30 7.451 2.852 4.982 1.00 0.00 C ATOM 453 C ALA A 30 8.529 3.719 5.686 1.00 0.00 C ATOM 454 O ALA A 30 9.206 3.154 6.548 1.00 0.00 O ATOM 455 CB ALA A 30 7.921 1.402 4.755 1.00 0.00 C ATOM 0 H ALA A 30 7.675 3.989 3.263 1.00 0.00 H new ATOM 0 HA ALA A 30 6.612 2.852 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.278 0.984 5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.089 0.804 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.729 1.392 4.024 1.00 0.00 H new ATOM 461 N PRO A 31 8.758 5.032 5.390 1.00 0.00 N ATOM 462 CA PRO A 31 9.765 5.816 6.106 1.00 0.00 C ATOM 463 C PRO A 31 9.805 5.600 7.624 1.00 0.00 C ATOM 464 O PRO A 31 8.776 5.618 8.309 1.00 0.00 O ATOM 465 CB PRO A 31 9.505 7.279 5.768 1.00 0.00 C ATOM 466 CG PRO A 31 8.957 7.216 4.352 1.00 0.00 C ATOM 467 CD PRO A 31 8.184 5.896 4.350 1.00 0.00 C ATOM 0 HA PRO A 31 10.749 5.481 5.777 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.791 7.731 6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.418 7.873 5.821 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.310 8.065 4.130 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.754 7.220 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.126 6.074 4.543 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.253 5.415 3.374 1.00 0.00 H new ATOM 475 N ARG A 32 11.033 5.420 8.126 1.00 0.00 N ATOM 476 CA ARG A 32 11.425 5.179 9.515 1.00 0.00 C ATOM 477 C ARG A 32 10.499 4.193 10.242 1.00 0.00 C ATOM 478 O ARG A 32 10.293 4.314 11.450 1.00 0.00 O ATOM 479 CB ARG A 32 11.666 6.518 10.249 1.00 0.00 C ATOM 480 CG ARG A 32 12.746 7.409 9.589 1.00 0.00 C ATOM 481 CD ARG A 32 12.198 8.362 8.511 1.00 0.00 C ATOM 482 NE ARG A 32 13.264 9.002 7.721 1.00 0.00 N ATOM 483 CZ ARG A 32 13.846 10.182 7.970 1.00 0.00 C ATOM 484 NH1 ARG A 32 13.570 10.857 9.084 1.00 0.00 N ATOM 485 NH2 ARG A 32 14.704 10.692 7.092 1.00 0.00 N ATOM 0 H ARG A 32 11.848 5.442 7.513 1.00 0.00 H new ATOM 0 HA ARG A 32 12.383 4.658 9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.728 7.072 10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.960 6.309 11.278 1.00 0.00 H new ATOM 0 HG2 ARG A 32 13.240 7.997 10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.506 6.769 9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.540 7.807 7.843 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.592 9.133 8.988 1.00 0.00 H new ATOM 0 HE ARG A 32 13.593 8.494 6.900 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.908 10.476 9.760 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.021 11.755 9.261 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.917 10.185 6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.150 11.591 7.277 1.00 0.00 H new ATOM 499 N SER A 33 9.952 3.217 9.508 1.00 0.00 N ATOM 500 CA SER A 33 9.068 2.170 10.010 1.00 0.00 C ATOM 501 C SER A 33 7.865 2.724 10.797 1.00 0.00 C ATOM 502 O SER A 33 7.368 2.060 11.711 1.00 0.00 O ATOM 503 CB SER A 33 9.896 1.137 10.794 1.00 0.00 C ATOM 504 OG SER A 33 11.038 0.723 10.053 1.00 0.00 O ATOM 0 H SER A 33 10.123 3.136 8.506 1.00 0.00 H new ATOM 0 HA SER A 33 8.612 1.661 9.161 1.00 0.00 H new ATOM 0 HB2 SER A 33 10.212 1.567 11.745 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.276 0.271 11.026 1.00 0.00 H new ATOM 0 HG SER A 33 11.547 0.068 10.575 1.00 0.00 H new ATOM 510 N GLY A 34 7.393 3.934 10.464 1.00 0.00 N ATOM 511 CA GLY A 34 6.330 4.606 11.209 1.00 0.00 C ATOM 512 C GLY A 34 5.414 5.478 10.350 1.00 0.00 C ATOM 513 O GLY A 34 4.487 6.081 10.895 1.00 0.00 O ATOM 0 H GLY A 34 7.741 4.471 9.669 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.726 3.853 11.715 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.781 5.226 11.983 1.00 0.00 H new ATOM 517 N ALA A 35 5.647 5.563 9.034 1.00 0.00 N ATOM 518 CA ALA A 35 4.791 6.316 8.121 1.00 0.00 C ATOM 519 C ALA A 35 3.327 5.825 8.208 1.00 0.00 C ATOM 520 O ALA A 35 3.099 4.625 8.391 1.00 0.00 O ATOM 521 CB ALA A 35 5.357 6.212 6.703 1.00 0.00 C ATOM 0 H ALA A 35 6.437 5.109 8.576 1.00 0.00 H new ATOM 0 HA ALA A 35 4.780 7.368 8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.723 6.772 6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 35 6.366 6.624 6.683 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.386 5.166 6.399 1.00 0.00 H new ATOM 527 N PRO A 36 2.328 6.716 8.054 1.00 0.00 N ATOM 528 CA PRO A 36 0.921 6.419 8.337 1.00 0.00 C ATOM 529 C PRO A 36 0.161 5.660 7.238 1.00 0.00 C ATOM 530 O PRO A 36 -1.041 5.428 7.399 1.00 0.00 O ATOM 531 CB PRO A 36 0.290 7.796 8.592 1.00 0.00 C ATOM 532 CG PRO A 36 1.082 8.712 7.663 1.00 0.00 C ATOM 533 CD PRO A 36 2.492 8.138 7.772 1.00 0.00 C ATOM 0 HA PRO A 36 0.859 5.731 9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.774 7.803 8.355 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.386 8.098 9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.706 8.678 6.640 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.040 9.753 7.984 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.048 8.290 6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 36 3.053 8.631 8.566 1.00 0.00 H new ATOM 541 N ALA A 37 0.799 5.291 6.123 1.00 0.00 N ATOM 542 CA ALA A 37 0.119 4.764 4.941 1.00 0.00 C ATOM 543 C ALA A 37 0.982 3.723 4.219 1.00 0.00 C ATOM 544 O ALA A 37 2.114 3.463 4.631 1.00 0.00 O ATOM 545 CB ALA A 37 -0.210 5.952 4.027 1.00 0.00 C ATOM 0 H ALA A 37 1.812 5.351 6.017 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.798 4.251 5.232 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.720 5.593 3.133 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.857 6.651 4.557 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.712 6.457 3.741 1.00 0.00 H new ATOM 551 N ALA A 38 0.449 3.159 3.128 1.00 0.00 N ATOM 552 CA ALA A 38 1.104 2.189 2.247 1.00 0.00 C ATOM 553 C ALA A 38 0.849 2.548 0.779 1.00 0.00 C ATOM 554 O ALA A 38 0.659 1.670 -0.067 1.00 0.00 O ATOM 555 CB ALA A 38 0.669 0.763 2.602 1.00 0.00 C ATOM 0 H ALA A 38 -0.499 3.379 2.822 1.00 0.00 H new ATOM 0 HA ALA A 38 2.183 2.230 2.397 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.165 0.055 1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.943 0.545 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.411 0.673 2.487 1.00 0.00 H new ATOM 561 N GLU A 39 0.803 3.849 0.481 1.00 0.00 N ATOM 562 CA GLU A 39 0.779 4.335 -0.893 1.00 0.00 C ATOM 563 C GLU A 39 2.144 4.086 -1.553 1.00 0.00 C ATOM 564 O GLU A 39 3.117 3.760 -0.862 1.00 0.00 O ATOM 565 CB GLU A 39 0.403 5.828 -0.924 1.00 0.00 C ATOM 566 CG GLU A 39 -1.024 6.081 -0.415 1.00 0.00 C ATOM 567 CD GLU A 39 -1.421 7.561 -0.560 1.00 0.00 C ATOM 568 OE1 GLU A 39 -1.981 7.945 -1.613 1.00 0.00 O ATOM 569 OE2 GLU A 39 -1.201 8.355 0.382 1.00 0.00 O ATOM 0 H GLU A 39 0.782 4.588 1.184 1.00 0.00 H new ATOM 0 HA GLU A 39 0.022 3.792 -1.458 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.109 6.391 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.494 6.202 -1.944 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.725 5.459 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.096 5.785 0.632 1.00 0.00 H new ATOM 576 N SER A 40 2.241 4.285 -2.871 1.00 0.00 N ATOM 577 CA SER A 40 3.472 4.098 -3.635 1.00 0.00 C ATOM 578 C SER A 40 3.641 5.220 -4.666 1.00 0.00 C ATOM 579 O SER A 40 2.668 5.883 -5.039 1.00 0.00 O ATOM 580 CB SER A 40 3.467 2.733 -4.337 1.00 0.00 C ATOM 581 OG SER A 40 3.071 1.684 -3.466 1.00 0.00 O ATOM 0 H SER A 40 1.452 4.585 -3.444 1.00 0.00 H new ATOM 0 HA SER A 40 4.312 4.132 -2.942 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.791 2.768 -5.192 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.463 2.523 -4.727 1.00 0.00 H new ATOM 0 HG SER A 40 3.697 0.935 -3.550 1.00 0.00 H new ATOM 587 N LYS A 41 4.879 5.432 -5.122 1.00 0.00 N ATOM 588 CA LYS A 41 5.272 6.468 -6.085 1.00 0.00 C ATOM 589 C LYS A 41 6.539 6.029 -6.808 1.00 0.00 C ATOM 590 O LYS A 41 7.223 5.131 -6.325 1.00 0.00 O ATOM 591 CB LYS A 41 5.462 7.823 -5.373 1.00 0.00 C ATOM 592 CG LYS A 41 6.466 7.852 -4.200 1.00 0.00 C ATOM 593 CD LYS A 41 7.962 8.072 -4.484 1.00 0.00 C ATOM 594 CE LYS A 41 8.351 9.550 -4.649 1.00 0.00 C ATOM 595 NZ LYS A 41 7.864 10.121 -5.924 1.00 0.00 N ATOM 0 H LYS A 41 5.669 4.863 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 41 4.482 6.601 -6.824 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.782 8.555 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.492 8.151 -4.999 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.145 8.638 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.371 6.906 -3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.544 7.641 -3.669 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.234 7.531 -5.390 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.944 10.125 -3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.436 9.645 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.423 10.965 -6.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.963 9.415 -6.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.863 10.385 -5.826 1.00 0.00 H new ATOM 609 N GLU A 42 6.895 6.680 -7.915 1.00 0.00 N ATOM 610 CA GLU A 42 8.120 6.382 -8.658 1.00 0.00 C ATOM 611 C GLU A 42 9.121 7.521 -8.469 1.00 0.00 C ATOM 612 O GLU A 42 8.710 8.654 -8.189 1.00 0.00 O ATOM 613 CB GLU A 42 7.813 6.179 -10.153 1.00 0.00 C ATOM 614 CG GLU A 42 7.039 4.892 -10.473 1.00 0.00 C ATOM 615 CD GLU A 42 5.573 4.906 -9.999 1.00 0.00 C ATOM 616 OE1 GLU A 42 4.772 5.722 -10.509 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.206 4.081 -9.133 1.00 0.00 O ATOM 0 H GLU A 42 6.340 7.432 -8.324 1.00 0.00 H new ATOM 0 HA GLU A 42 8.551 5.458 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.239 7.033 -10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.752 6.171 -10.706 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.060 4.726 -11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.551 4.048 -10.011 1.00 0.00 H new ATOM 624 N ILE A 43 10.414 7.239 -8.656 1.00 0.00 N ATOM 625 CA ILE A 43 11.514 8.203 -8.643 1.00 0.00 C ATOM 626 C ILE A 43 12.476 7.898 -9.797 1.00 0.00 C ATOM 627 O ILE A 43 12.514 6.770 -10.302 1.00 0.00 O ATOM 628 CB ILE A 43 12.264 8.205 -7.288 1.00 0.00 C ATOM 629 CG1 ILE A 43 12.888 6.830 -6.965 1.00 0.00 C ATOM 630 CG2 ILE A 43 11.325 8.662 -6.163 1.00 0.00 C ATOM 631 CD1 ILE A 43 13.810 6.825 -5.743 1.00 0.00 C ATOM 0 H ILE A 43 10.735 6.286 -8.829 1.00 0.00 H new ATOM 0 HA ILE A 43 11.095 9.201 -8.775 1.00 0.00 H new ATOM 0 HB ILE A 43 13.089 8.913 -7.368 1.00 0.00 H new ATOM 0 HG12 ILE A 43 12.086 6.110 -6.803 1.00 0.00 H new ATOM 0 HG13 ILE A 43 13.453 6.488 -7.832 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.864 8.659 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.968 9.670 -6.374 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.476 7.982 -6.099 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.204 5.821 -5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.636 7.518 -5.907 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.248 7.133 -4.862 1.00 0.00 H new ATOM 643 N VAL A 44 13.265 8.898 -10.190 1.00 0.00 N ATOM 644 CA VAL A 44 14.098 8.891 -11.385 1.00 0.00 C ATOM 645 C VAL A 44 15.531 9.179 -10.927 1.00 0.00 C ATOM 646 O VAL A 44 15.784 10.243 -10.352 1.00 0.00 O ATOM 647 CB VAL A 44 13.575 9.976 -12.360 1.00 0.00 C ATOM 648 CG1 VAL A 44 14.302 9.946 -13.710 1.00 0.00 C ATOM 649 CG2 VAL A 44 12.063 9.878 -12.637 1.00 0.00 C ATOM 0 H VAL A 44 13.342 9.767 -9.662 1.00 0.00 H new ATOM 0 HA VAL A 44 14.070 7.936 -11.909 1.00 0.00 H new ATOM 0 HB VAL A 44 13.779 10.914 -11.844 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.899 10.725 -14.357 1.00 0.00 H new ATOM 0 HG12 VAL A 44 15.367 10.119 -13.554 1.00 0.00 H new ATOM 0 HG13 VAL A 44 14.157 8.973 -14.180 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.768 10.668 -13.327 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.836 8.907 -13.078 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.514 9.989 -11.702 1.00 0.00 H new ATOM 659 N ARG A 45 16.472 8.255 -11.160 1.00 0.00 N ATOM 660 CA ARG A 45 17.878 8.430 -10.771 1.00 0.00 C ATOM 661 C ARG A 45 18.765 7.891 -11.890 1.00 0.00 C ATOM 662 O ARG A 45 18.376 6.930 -12.556 1.00 0.00 O ATOM 663 CB ARG A 45 18.183 7.683 -9.454 1.00 0.00 C ATOM 664 CG ARG A 45 17.366 8.086 -8.209 1.00 0.00 C ATOM 665 CD ARG A 45 17.587 9.519 -7.707 1.00 0.00 C ATOM 666 NE ARG A 45 16.673 9.850 -6.593 1.00 0.00 N ATOM 667 CZ ARG A 45 16.845 9.558 -5.292 1.00 0.00 C ATOM 668 NH1 ARG A 45 17.944 8.954 -4.848 1.00 0.00 N ATOM 669 NH2 ARG A 45 15.899 9.869 -4.415 1.00 0.00 N ATOM 0 H ARG A 45 16.281 7.366 -11.623 1.00 0.00 H new ATOM 0 HA ARG A 45 18.076 9.490 -10.610 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.031 6.618 -9.627 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.239 7.821 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.307 7.958 -8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.605 7.396 -7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.620 9.635 -7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.432 10.221 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 45 15.821 10.354 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.685 8.699 -5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 45 18.045 8.746 -3.855 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.044 10.328 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.027 9.649 -3.427 1.00 0.00 H new ATOM 683 N GLY A 46 19.951 8.464 -12.094 1.00 0.00 N ATOM 684 CA GLY A 46 20.894 7.996 -13.105 1.00 0.00 C ATOM 685 C GLY A 46 22.156 8.839 -13.105 1.00 0.00 C ATOM 686 O GLY A 46 22.057 10.066 -13.013 1.00 0.00 O ATOM 0 H GLY A 46 20.284 9.267 -11.561 1.00 0.00 H new ATOM 0 HA2 GLY A 46 21.149 6.954 -12.914 1.00 0.00 H new ATOM 0 HA3 GLY A 46 20.427 8.035 -14.089 1.00 0.00 H new ATOM 690 N TYR A 47 23.326 8.194 -13.196 1.00 0.00 N ATOM 691 CA TYR A 47 24.618 8.845 -12.991 1.00 0.00 C ATOM 692 C TYR A 47 25.725 8.138 -13.758 1.00 0.00 C ATOM 693 O TYR A 47 25.641 6.930 -13.991 1.00 0.00 O ATOM 694 CB TYR A 47 25.001 8.844 -11.503 1.00 0.00 C ATOM 695 CG TYR A 47 23.910 9.251 -10.531 1.00 0.00 C ATOM 696 CD1 TYR A 47 23.029 8.267 -10.048 1.00 0.00 C ATOM 697 CD2 TYR A 47 23.797 10.580 -10.081 1.00 0.00 C ATOM 698 CE1 TYR A 47 22.062 8.592 -9.083 1.00 0.00 C ATOM 699 CE2 TYR A 47 22.821 10.917 -9.126 1.00 0.00 C ATOM 700 CZ TYR A 47 21.961 9.919 -8.609 1.00 0.00 C ATOM 701 OH TYR A 47 21.061 10.209 -7.632 1.00 0.00 O ATOM 0 H TYR A 47 23.399 7.201 -13.415 1.00 0.00 H new ATOM 0 HA TYR A 47 24.514 9.867 -13.354 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.341 7.843 -11.237 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.849 9.515 -11.367 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.097 7.256 -10.421 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.459 11.340 -10.469 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.397 7.830 -8.704 1.00 0.00 H new ATOM 0 HE2 TYR A 47 22.728 11.938 -8.787 1.00 0.00 H new ATOM 0 HH TYR A 47 21.112 11.163 -7.413 1.00 0.00 H new ATOM 711 N LYS A 48 26.806 8.866 -14.065 1.00 0.00 N ATOM 712 CA LYS A 48 27.990 8.318 -14.729 1.00 0.00 C ATOM 713 C LYS A 48 28.573 7.097 -14.018 1.00 0.00 C ATOM 714 O LYS A 48 29.065 6.191 -14.691 1.00 0.00 O ATOM 715 CB LYS A 48 29.047 9.424 -14.931 1.00 0.00 C ATOM 716 CG LYS A 48 29.720 9.931 -13.639 1.00 0.00 C ATOM 717 CD LYS A 48 30.732 11.067 -13.880 1.00 0.00 C ATOM 718 CE LYS A 48 30.171 12.486 -13.681 1.00 0.00 C ATOM 719 NZ LYS A 48 29.145 12.869 -14.677 1.00 0.00 N ATOM 0 H LYS A 48 26.882 9.862 -13.856 1.00 0.00 H new ATOM 0 HA LYS A 48 27.671 7.956 -15.706 1.00 0.00 H new ATOM 0 HB2 LYS A 48 29.820 9.048 -15.601 1.00 0.00 H new ATOM 0 HB3 LYS A 48 28.575 10.269 -15.432 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.950 10.280 -12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.229 9.099 -13.153 1.00 0.00 H new ATOM 0 HD2 LYS A 48 31.579 10.929 -13.207 1.00 0.00 H new ATOM 0 HD3 LYS A 48 31.116 10.983 -14.897 1.00 0.00 H new ATOM 0 HE2 LYS A 48 29.740 12.559 -12.683 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.993 13.201 -13.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 28.851 13.853 -14.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.541 12.782 -15.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 28.321 12.241 -14.585 1.00 0.00 H new ATOM 733 N TRP A 49 28.531 7.058 -12.680 1.00 0.00 N ATOM 734 CA TRP A 49 29.130 5.964 -11.923 1.00 0.00 C ATOM 735 C TRP A 49 28.335 4.660 -12.061 1.00 0.00 C ATOM 736 O TRP A 49 28.927 3.587 -11.938 1.00 0.00 O ATOM 737 CB TRP A 49 29.365 6.371 -10.458 1.00 0.00 C ATOM 738 CG TRP A 49 28.285 7.131 -9.738 1.00 0.00 C ATOM 739 CD1 TRP A 49 28.336 8.445 -9.423 1.00 0.00 C ATOM 740 CD2 TRP A 49 27.020 6.650 -9.183 1.00 0.00 C ATOM 741 NE1 TRP A 49 27.211 8.805 -8.710 1.00 0.00 N ATOM 742 CE2 TRP A 49 26.364 7.733 -8.525 1.00 0.00 C ATOM 743 CE3 TRP A 49 26.358 5.406 -9.164 1.00 0.00 C ATOM 744 CZ2 TRP A 49 25.119 7.589 -7.893 1.00 0.00 C ATOM 745 CZ3 TRP A 49 25.085 5.261 -8.582 1.00 0.00 C ATOM 746 CH2 TRP A 49 24.457 6.350 -7.955 1.00 0.00 C ATOM 0 H TRP A 49 28.087 7.774 -12.104 1.00 0.00 H new ATOM 0 HA TRP A 49 30.109 5.757 -12.356 1.00 0.00 H new ATOM 0 HB2 TRP A 49 29.564 5.462 -9.890 1.00 0.00 H new ATOM 0 HB3 TRP A 49 30.273 6.974 -10.424 1.00 0.00 H new ATOM 0 HD1 TRP A 49 29.140 9.115 -9.690 1.00 0.00 H new ATOM 0 HE1 TRP A 49 27.029 9.747 -8.363 1.00 0.00 H new ATOM 0 HE3 TRP A 49 26.838 4.545 -9.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 24.675 8.420 -7.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 24.586 4.304 -8.618 1.00 0.00 H new ATOM 0 HH2 TRP A 49 23.473 6.236 -7.524 1.00 0.00 H new ATOM 757 N ALA A 50 27.028 4.716 -12.350 1.00 0.00 N ATOM 758 CA ALA A 50 26.236 3.525 -12.603 1.00 0.00 C ATOM 759 C ALA A 50 26.364 3.142 -14.076 1.00 0.00 C ATOM 760 O ALA A 50 25.490 3.431 -14.894 1.00 0.00 O ATOM 761 CB ALA A 50 24.786 3.713 -12.170 1.00 0.00 C ATOM 0 H ALA A 50 26.501 5.587 -12.413 1.00 0.00 H new ATOM 0 HA ALA A 50 26.619 2.701 -12.001 1.00 0.00 H new ATOM 0 HB1 ALA A 50 24.224 2.802 -12.375 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.750 3.929 -11.102 1.00 0.00 H new ATOM 0 HB3 ALA A 50 24.346 4.543 -12.723 1.00 0.00 H new ATOM 767 N GLU A 51 27.468 2.476 -14.414 1.00 0.00 N ATOM 768 CA GLU A 51 27.699 1.923 -15.750 1.00 0.00 C ATOM 769 C GLU A 51 26.692 0.811 -16.098 1.00 0.00 C ATOM 770 O GLU A 51 26.642 0.364 -17.245 1.00 0.00 O ATOM 771 CB GLU A 51 29.139 1.390 -15.854 1.00 0.00 C ATOM 772 CG GLU A 51 30.192 2.489 -15.664 1.00 0.00 C ATOM 773 CD GLU A 51 31.616 1.955 -15.903 1.00 0.00 C ATOM 774 OE1 GLU A 51 32.267 1.483 -14.943 1.00 0.00 O ATOM 775 OE2 GLU A 51 32.112 2.019 -17.051 1.00 0.00 O ATOM 0 H GLU A 51 28.234 2.303 -13.763 1.00 0.00 H new ATOM 0 HA GLU A 51 27.555 2.728 -16.471 1.00 0.00 H new ATOM 0 HB2 GLU A 51 29.290 0.614 -15.103 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.280 0.922 -16.829 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.990 3.310 -16.352 1.00 0.00 H new ATOM 0 HG3 GLU A 51 30.119 2.894 -14.654 1.00 0.00 H new ATOM 782 N TYR A 52 25.887 0.358 -15.132 1.00 0.00 N ATOM 783 CA TYR A 52 24.846 -0.647 -15.286 1.00 0.00 C ATOM 784 C TYR A 52 23.686 -0.255 -14.371 1.00 0.00 C ATOM 785 O TYR A 52 23.904 0.224 -13.256 1.00 0.00 O ATOM 786 CB TYR A 52 25.366 -2.062 -14.972 1.00 0.00 C ATOM 787 CG TYR A 52 26.487 -2.166 -13.953 1.00 0.00 C ATOM 788 CD1 TYR A 52 27.806 -1.878 -14.349 1.00 0.00 C ATOM 789 CD2 TYR A 52 26.226 -2.564 -12.630 1.00 0.00 C ATOM 790 CE1 TYR A 52 28.864 -1.973 -13.428 1.00 0.00 C ATOM 791 CE2 TYR A 52 27.278 -2.672 -11.702 1.00 0.00 C ATOM 792 CZ TYR A 52 28.604 -2.374 -12.097 1.00 0.00 C ATOM 793 OH TYR A 52 29.614 -2.477 -11.188 1.00 0.00 O ATOM 0 H TYR A 52 25.952 0.704 -14.175 1.00 0.00 H new ATOM 0 HA TYR A 52 24.510 -0.679 -16.323 1.00 0.00 H new ATOM 0 HB2 TYR A 52 24.528 -2.662 -14.618 1.00 0.00 H new ATOM 0 HB3 TYR A 52 25.710 -2.513 -15.903 1.00 0.00 H new ATOM 0 HD1 TYR A 52 28.007 -1.582 -15.368 1.00 0.00 H new ATOM 0 HD2 TYR A 52 25.214 -2.788 -12.325 1.00 0.00 H new ATOM 0 HE1 TYR A 52 29.873 -1.740 -13.736 1.00 0.00 H new ATOM 0 HE2 TYR A 52 27.074 -2.982 -10.688 1.00 0.00 H new ATOM 0 HH TYR A 52 29.249 -2.764 -10.325 1.00 0.00 H new ATOM 803 N HIS A 53 22.451 -0.474 -14.833 1.00 0.00 N ATOM 804 CA HIS A 53 21.232 -0.049 -14.137 1.00 0.00 C ATOM 805 C HIS A 53 21.098 -0.720 -12.767 1.00 0.00 C ATOM 806 O HIS A 53 20.544 -0.131 -11.840 1.00 0.00 O ATOM 807 CB HIS A 53 19.987 -0.356 -14.987 1.00 0.00 C ATOM 808 CG HIS A 53 20.137 -0.023 -16.451 1.00 0.00 C ATOM 809 ND1 HIS A 53 19.876 1.185 -17.063 1.00 0.00 N ATOM 810 CD2 HIS A 53 20.558 -0.889 -17.425 1.00 0.00 C ATOM 811 CE1 HIS A 53 20.145 1.042 -18.372 1.00 0.00 C ATOM 812 NE2 HIS A 53 20.556 -0.209 -18.644 1.00 0.00 N ATOM 0 H HIS A 53 22.267 -0.958 -15.712 1.00 0.00 H new ATOM 0 HA HIS A 53 21.308 1.027 -13.983 1.00 0.00 H new ATOM 0 HB2 HIS A 53 19.747 -1.415 -14.890 1.00 0.00 H new ATOM 0 HB3 HIS A 53 19.141 0.201 -14.585 1.00 0.00 H new ATOM 0 HD1 HIS A 53 19.540 2.033 -16.606 1.00 0.00 H new ATOM 0 HD2 HIS A 53 20.842 -1.920 -17.276 1.00 0.00 H new ATOM 0 HE1 HIS A 53 20.044 1.827 -19.107 1.00 0.00 H new ATOM 820 N ALA A 54 21.628 -1.941 -12.620 1.00 0.00 N ATOM 821 CA ALA A 54 21.631 -2.648 -11.345 1.00 0.00 C ATOM 822 C ALA A 54 22.371 -1.858 -10.259 1.00 0.00 C ATOM 823 O ALA A 54 22.008 -1.964 -9.088 1.00 0.00 O ATOM 824 CB ALA A 54 22.251 -4.038 -11.523 1.00 0.00 C ATOM 0 H ALA A 54 22.064 -2.460 -13.382 1.00 0.00 H new ATOM 0 HA ALA A 54 20.598 -2.757 -11.015 1.00 0.00 H new ATOM 0 HB1 ALA A 54 22.251 -4.562 -10.567 1.00 0.00 H new ATOM 0 HB2 ALA A 54 21.668 -4.606 -12.248 1.00 0.00 H new ATOM 0 HB3 ALA A 54 23.276 -3.936 -11.881 1.00 0.00 H new ATOM 830 N ASP A 55 23.383 -1.058 -10.625 1.00 0.00 N ATOM 831 CA ASP A 55 24.163 -0.303 -9.646 1.00 0.00 C ATOM 832 C ASP A 55 23.306 0.778 -8.993 1.00 0.00 C ATOM 833 O ASP A 55 23.259 0.877 -7.766 1.00 0.00 O ATOM 834 CB ASP A 55 25.387 0.357 -10.289 1.00 0.00 C ATOM 835 CG ASP A 55 26.361 0.824 -9.197 1.00 0.00 C ATOM 836 OD1 ASP A 55 27.042 -0.033 -8.589 1.00 0.00 O ATOM 837 OD2 ASP A 55 26.460 2.043 -8.955 1.00 0.00 O ATOM 0 H ASP A 55 23.677 -0.920 -11.592 1.00 0.00 H new ATOM 0 HA ASP A 55 24.501 -1.013 -8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 55 25.884 -0.348 -10.955 1.00 0.00 H new ATOM 0 HB3 ASP A 55 25.076 1.205 -10.898 1.00 0.00 H new ATOM 842 N ILE A 56 22.575 1.550 -9.808 1.00 0.00 N ATOM 843 CA ILE A 56 21.637 2.548 -9.308 1.00 0.00 C ATOM 844 C ILE A 56 20.458 1.868 -8.627 1.00 0.00 C ATOM 845 O ILE A 56 20.027 2.379 -7.602 1.00 0.00 O ATOM 846 CB ILE A 56 21.137 3.562 -10.370 1.00 0.00 C ATOM 847 CG1 ILE A 56 21.151 3.057 -11.834 1.00 0.00 C ATOM 848 CG2 ILE A 56 21.838 4.909 -10.152 1.00 0.00 C ATOM 849 CD1 ILE A 56 21.011 4.143 -12.900 1.00 0.00 C ATOM 0 H ILE A 56 22.621 1.496 -10.826 1.00 0.00 H new ATOM 0 HA ILE A 56 22.200 3.141 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 56 20.068 3.700 -10.209 1.00 0.00 H new ATOM 0 HG12 ILE A 56 22.083 2.519 -12.007 1.00 0.00 H new ATOM 0 HG13 ILE A 56 20.341 2.339 -11.961 1.00 0.00 H new ATOM 0 HG21 ILE A 56 21.490 5.625 -10.896 1.00 0.00 H new ATOM 0 HG22 ILE A 56 21.607 5.282 -9.154 1.00 0.00 H new ATOM 0 HG23 ILE A 56 22.916 4.778 -10.251 1.00 0.00 H new ATOM 0 HD11 ILE A 56 21.032 3.686 -13.890 1.00 0.00 H new ATOM 0 HD12 ILE A 56 20.066 4.668 -12.763 1.00 0.00 H new ATOM 0 HD13 ILE A 56 21.835 4.851 -12.809 1.00 0.00 H new ATOM 861 N TYR A 57 19.940 0.743 -9.128 1.00 0.00 N ATOM 862 CA TYR A 57 18.833 0.087 -8.444 1.00 0.00 C ATOM 863 C TYR A 57 19.247 -0.283 -7.016 1.00 0.00 C ATOM 864 O TYR A 57 18.514 0.027 -6.077 1.00 0.00 O ATOM 865 CB TYR A 57 18.339 -1.143 -9.214 1.00 0.00 C ATOM 866 CG TYR A 57 17.269 -1.926 -8.468 1.00 0.00 C ATOM 867 CD1 TYR A 57 16.157 -1.261 -7.904 1.00 0.00 C ATOM 868 CD2 TYR A 57 17.406 -3.317 -8.298 1.00 0.00 C ATOM 869 CE1 TYR A 57 15.195 -1.980 -7.179 1.00 0.00 C ATOM 870 CE2 TYR A 57 16.436 -4.047 -7.588 1.00 0.00 C ATOM 871 CZ TYR A 57 15.322 -3.380 -7.028 1.00 0.00 C ATOM 872 OH TYR A 57 14.362 -4.070 -6.349 1.00 0.00 O ATOM 0 H TYR A 57 20.260 0.282 -9.979 1.00 0.00 H new ATOM 0 HA TYR A 57 17.999 0.787 -8.397 1.00 0.00 H new ATOM 0 HB2 TYR A 57 17.942 -0.825 -10.178 1.00 0.00 H new ATOM 0 HB3 TYR A 57 19.185 -1.800 -9.419 1.00 0.00 H new ATOM 0 HD1 TYR A 57 16.047 -0.194 -8.032 1.00 0.00 H new ATOM 0 HD2 TYR A 57 18.262 -3.827 -8.716 1.00 0.00 H new ATOM 0 HE1 TYR A 57 14.356 -1.464 -6.736 1.00 0.00 H new ATOM 0 HE2 TYR A 57 16.542 -5.115 -7.471 1.00 0.00 H new ATOM 0 HH TYR A 57 14.593 -5.022 -6.333 1.00 0.00 H new ATOM 882 N ASP A 58 20.431 -0.875 -6.831 1.00 0.00 N ATOM 883 CA ASP A 58 20.925 -1.238 -5.509 1.00 0.00 C ATOM 884 C ASP A 58 21.167 0.001 -4.643 1.00 0.00 C ATOM 885 O ASP A 58 20.665 0.073 -3.521 1.00 0.00 O ATOM 886 CB ASP A 58 22.212 -2.059 -5.620 1.00 0.00 C ATOM 887 CG ASP A 58 22.761 -2.388 -4.222 1.00 0.00 C ATOM 888 OD1 ASP A 58 22.203 -3.280 -3.546 1.00 0.00 O ATOM 889 OD2 ASP A 58 23.767 -1.774 -3.801 1.00 0.00 O ATOM 0 H ASP A 58 21.067 -1.113 -7.592 1.00 0.00 H new ATOM 0 HA ASP A 58 20.158 -1.845 -5.028 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.016 -2.981 -6.167 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.957 -1.503 -6.189 1.00 0.00 H new ATOM 894 N LYS A 59 21.892 0.999 -5.164 1.00 0.00 N ATOM 895 CA LYS A 59 22.226 2.211 -4.415 1.00 0.00 C ATOM 896 C LYS A 59 20.969 2.968 -4.005 1.00 0.00 C ATOM 897 O LYS A 59 20.845 3.369 -2.849 1.00 0.00 O ATOM 898 CB LYS A 59 23.180 3.079 -5.249 1.00 0.00 C ATOM 899 CG LYS A 59 23.439 4.466 -4.628 1.00 0.00 C ATOM 900 CD LYS A 59 24.893 4.896 -4.850 1.00 0.00 C ATOM 901 CE LYS A 59 25.097 6.363 -4.449 1.00 0.00 C ATOM 902 NZ LYS A 59 26.481 6.827 -4.718 1.00 0.00 N ATOM 0 H LYS A 59 22.262 0.987 -6.115 1.00 0.00 H new ATOM 0 HA LYS A 59 22.734 1.936 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 59 24.130 2.556 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 59 22.764 3.207 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 59 22.766 5.200 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 59 23.222 4.438 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 59 25.558 4.259 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.161 4.761 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 59 24.392 6.989 -4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 59 24.874 6.483 -3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.729 7.586 -4.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.142 6.033 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 26.543 7.188 -5.691 1.00 0.00 H new ATOM 916 N VAL A 60 20.031 3.163 -4.926 1.00 0.00 N ATOM 917 CA VAL A 60 18.829 3.933 -4.666 1.00 0.00 C ATOM 918 C VAL A 60 17.896 3.129 -3.761 1.00 0.00 C ATOM 919 O VAL A 60 17.305 3.717 -2.860 1.00 0.00 O ATOM 920 CB VAL A 60 18.186 4.392 -5.983 1.00 0.00 C ATOM 921 CG1 VAL A 60 16.922 5.218 -5.703 1.00 0.00 C ATOM 922 CG2 VAL A 60 19.169 5.267 -6.786 1.00 0.00 C ATOM 0 H VAL A 60 20.087 2.789 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 60 19.072 4.850 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 60 17.928 3.501 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 60 16.478 5.536 -6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 60 16.205 4.610 -5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 60 17.184 6.095 -5.112 1.00 0.00 H new ATOM 0 HG21 VAL A 60 18.698 5.584 -7.716 1.00 0.00 H new ATOM 0 HG22 VAL A 60 19.438 6.145 -6.198 1.00 0.00 H new ATOM 0 HG23 VAL A 60 20.067 4.692 -7.012 1.00 0.00 H new ATOM 932 N SER A 61 17.807 1.802 -3.898 1.00 0.00 N ATOM 933 CA SER A 61 17.088 1.004 -2.911 1.00 0.00 C ATOM 934 C SER A 61 17.742 1.128 -1.532 1.00 0.00 C ATOM 935 O SER A 61 17.036 1.053 -0.531 1.00 0.00 O ATOM 936 CB SER A 61 16.990 -0.460 -3.347 1.00 0.00 C ATOM 937 OG SER A 61 16.350 -0.545 -4.602 1.00 0.00 O ATOM 0 H SER A 61 18.216 1.271 -4.667 1.00 0.00 H new ATOM 0 HA SER A 61 16.073 1.394 -2.839 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.986 -0.898 -3.406 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.433 -1.033 -2.605 1.00 0.00 H new ATOM 0 HG SER A 61 17.019 -0.486 -5.315 1.00 0.00 H new ATOM 943 N GLY A 62 19.058 1.348 -1.447 1.00 0.00 N ATOM 944 CA GLY A 62 19.747 1.643 -0.200 1.00 0.00 C ATOM 945 C GLY A 62 19.327 3.005 0.353 1.00 0.00 C ATOM 946 O GLY A 62 18.941 3.092 1.515 1.00 0.00 O ATOM 0 H GLY A 62 19.677 1.324 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.528 0.866 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.824 1.631 -0.365 1.00 0.00 H new ATOM 950 N ASP A 63 19.337 4.053 -0.476 1.00 0.00 N ATOM 951 CA ASP A 63 18.901 5.408 -0.111 1.00 0.00 C ATOM 952 C ASP A 63 17.459 5.397 0.394 1.00 0.00 C ATOM 953 O ASP A 63 17.151 5.964 1.441 1.00 0.00 O ATOM 954 CB ASP A 63 19.061 6.338 -1.325 1.00 0.00 C ATOM 955 CG ASP A 63 18.569 7.781 -1.140 1.00 0.00 C ATOM 956 OD1 ASP A 63 18.853 8.389 -0.085 1.00 0.00 O ATOM 957 OD2 ASP A 63 17.994 8.332 -2.111 1.00 0.00 O ATOM 0 H ASP A 63 19.656 3.983 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 63 19.525 5.781 0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 63 20.116 6.368 -1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.526 5.898 -2.167 1.00 0.00 H new ATOM 962 N MET A 64 16.576 4.681 -0.301 1.00 0.00 N ATOM 963 CA MET A 64 15.188 4.540 0.106 1.00 0.00 C ATOM 964 C MET A 64 15.040 3.703 1.377 1.00 0.00 C ATOM 965 O MET A 64 14.270 4.080 2.255 1.00 0.00 O ATOM 966 CB MET A 64 14.388 3.939 -1.048 1.00 0.00 C ATOM 967 CG MET A 64 14.295 4.862 -2.275 1.00 0.00 C ATOM 968 SD MET A 64 13.514 6.465 -1.948 1.00 0.00 S ATOM 969 CE MET A 64 14.990 7.492 -1.725 1.00 0.00 C ATOM 0 H MET A 64 16.808 4.184 -1.161 1.00 0.00 H new ATOM 0 HA MET A 64 14.796 5.529 0.345 1.00 0.00 H new ATOM 0 HB2 MET A 64 14.847 2.996 -1.346 1.00 0.00 H new ATOM 0 HB3 MET A 64 13.381 3.707 -0.700 1.00 0.00 H new ATOM 0 HG2 MET A 64 15.299 5.033 -2.663 1.00 0.00 H new ATOM 0 HG3 MET A 64 13.734 4.351 -3.057 1.00 0.00 H new ATOM 0 HE1 MET A 64 14.783 8.273 -0.993 1.00 0.00 H new ATOM 0 HE2 MET A 64 15.814 6.873 -1.372 1.00 0.00 H new ATOM 0 HE3 MET A 64 15.262 7.950 -2.676 1.00 0.00 H new ATOM 979 N GLN A 65 15.767 2.600 1.545 1.00 0.00 N ATOM 980 CA GLN A 65 15.685 1.797 2.762 1.00 0.00 C ATOM 981 C GLN A 65 16.286 2.531 3.968 1.00 0.00 C ATOM 982 O GLN A 65 15.814 2.339 5.087 1.00 0.00 O ATOM 983 CB GLN A 65 16.389 0.456 2.534 1.00 0.00 C ATOM 984 CG GLN A 65 15.483 -0.556 1.817 1.00 0.00 C ATOM 985 CD GLN A 65 16.259 -1.806 1.405 1.00 0.00 C ATOM 986 OE1 GLN A 65 16.109 -2.881 1.981 1.00 0.00 O ATOM 987 NE2 GLN A 65 17.114 -1.683 0.404 1.00 0.00 N ATOM 0 H GLN A 65 16.422 2.241 0.850 1.00 0.00 H new ATOM 0 HA GLN A 65 14.634 1.620 2.989 1.00 0.00 H new ATOM 0 HB2 GLN A 65 17.291 0.616 1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 65 16.704 0.045 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.659 -0.837 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 65 15.044 -0.091 0.934 1.00 0.00 H new ATOM 0 HE21 GLN A 65 17.226 -0.783 -0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 65 17.661 -2.488 0.099 1.00 0.00 H new ATOM 996 N LYS A 66 17.281 3.400 3.762 1.00 0.00 N ATOM 997 CA LYS A 66 17.791 4.314 4.781 1.00 0.00 C ATOM 998 C LYS A 66 16.668 5.256 5.218 1.00 0.00 C ATOM 999 O LYS A 66 16.504 5.474 6.419 1.00 0.00 O ATOM 1000 CB LYS A 66 19.002 5.053 4.186 1.00 0.00 C ATOM 1001 CG LYS A 66 19.495 6.287 4.962 1.00 0.00 C ATOM 1002 CD LYS A 66 20.429 7.149 4.097 1.00 0.00 C ATOM 1003 CE LYS A 66 19.649 7.834 2.960 1.00 0.00 C ATOM 1004 NZ LYS A 66 20.498 8.695 2.105 1.00 0.00 N ATOM 0 H LYS A 66 17.761 3.487 2.866 1.00 0.00 H new ATOM 0 HA LYS A 66 18.123 3.787 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 66 19.828 4.347 4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 66 18.749 5.364 3.173 1.00 0.00 H new ATOM 0 HG2 LYS A 66 18.641 6.882 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 66 20.020 5.968 5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.912 7.903 4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 66 21.220 6.527 3.678 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.177 7.071 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 66 18.848 8.436 3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 20.066 8.782 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 20.582 9.638 2.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 21.443 8.270 2.015 1.00 0.00 H new ATOM 1018 N GLN A 67 15.875 5.785 4.275 1.00 0.00 N ATOM 1019 CA GLN A 67 14.678 6.556 4.612 1.00 0.00 C ATOM 1020 C GLN A 67 13.670 5.674 5.356 1.00 0.00 C ATOM 1021 O GLN A 67 13.020 6.151 6.281 1.00 0.00 O ATOM 1022 CB GLN A 67 14.035 7.187 3.361 1.00 0.00 C ATOM 1023 CG GLN A 67 14.936 8.199 2.631 1.00 0.00 C ATOM 1024 CD GLN A 67 14.794 9.594 3.236 1.00 0.00 C ATOM 1025 OE1 GLN A 67 15.036 9.805 4.424 1.00 0.00 O ATOM 1026 NE2 GLN A 67 14.354 10.562 2.448 1.00 0.00 N ATOM 0 H GLN A 67 16.044 5.691 3.274 1.00 0.00 H new ATOM 0 HA GLN A 67 14.981 7.373 5.267 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.763 6.392 2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.111 7.685 3.653 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.975 7.876 2.692 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.673 8.229 1.574 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.158 10.370 1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.211 11.500 2.823 1.00 0.00 H new ATOM 1035 N GLY A 68 13.560 4.400 4.974 1.00 0.00 N ATOM 1036 CA GLY A 68 12.782 3.343 5.625 1.00 0.00 C ATOM 1037 C GLY A 68 11.934 2.529 4.637 1.00 0.00 C ATOM 1038 O GLY A 68 11.303 1.548 5.026 1.00 0.00 O ATOM 0 H GLY A 68 14.045 4.056 4.145 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.460 2.672 6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.129 3.789 6.375 1.00 0.00 H new ATOM 1042 N CYS A 69 11.895 2.951 3.372 1.00 0.00 N ATOM 1043 CA CYS A 69 11.007 2.467 2.324 1.00 0.00 C ATOM 1044 C CYS A 69 11.379 1.061 1.832 1.00 0.00 C ATOM 1045 O CYS A 69 12.402 0.493 2.213 1.00 0.00 O ATOM 1046 CB CYS A 69 11.112 3.458 1.161 1.00 0.00 C ATOM 1047 SG CYS A 69 10.563 5.113 1.665 1.00 0.00 S ATOM 0 H CYS A 69 12.521 3.683 3.036 1.00 0.00 H new ATOM 0 HA CYS A 69 9.994 2.397 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 69 12.143 3.504 0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.506 3.109 0.325 1.00 0.00 H new ATOM 0 HG CYS A 69 11.043 5.998 0.843 1.00 0.00 H new ATOM 1053 N ASP A 70 10.566 0.544 0.911 1.00 0.00 N ATOM 1054 CA ASP A 70 10.811 -0.666 0.124 1.00 0.00 C ATOM 1055 C ASP A 70 10.609 -0.264 -1.338 1.00 0.00 C ATOM 1056 O ASP A 70 9.853 0.681 -1.594 1.00 0.00 O ATOM 1057 CB ASP A 70 9.856 -1.790 0.539 1.00 0.00 C ATOM 1058 CG ASP A 70 10.036 -3.034 -0.347 1.00 0.00 C ATOM 1059 OD1 ASP A 70 11.188 -3.478 -0.543 1.00 0.00 O ATOM 1060 OD2 ASP A 70 9.022 -3.579 -0.835 1.00 0.00 O ATOM 0 H ASP A 70 9.673 0.980 0.681 1.00 0.00 H new ATOM 0 HA ASP A 70 11.817 -1.054 0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.034 -2.055 1.581 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.826 -1.439 0.471 1.00 0.00 H new ATOM 1065 N CYS A 71 11.285 -0.911 -2.294 1.00 0.00 N ATOM 1066 CA CYS A 71 11.336 -0.443 -3.681 1.00 0.00 C ATOM 1067 C CYS A 71 11.432 -1.571 -4.712 1.00 0.00 C ATOM 1068 O CYS A 71 11.717 -2.718 -4.361 1.00 0.00 O ATOM 1069 CB CYS A 71 12.559 0.465 -3.871 1.00 0.00 C ATOM 1070 SG CYS A 71 12.583 1.805 -2.661 1.00 0.00 S ATOM 0 H CYS A 71 11.810 -1.770 -2.128 1.00 0.00 H new ATOM 0 HA CYS A 71 10.398 0.086 -3.851 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.470 -0.126 -3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.550 0.883 -4.878 1.00 0.00 H new ATOM 0 HG CYS A 71 13.230 1.421 -1.601 1.00 0.00 H new ATOM 1076 N GLU A 72 11.242 -1.221 -5.990 1.00 0.00 N ATOM 1077 CA GLU A 72 11.348 -2.119 -7.130 1.00 0.00 C ATOM 1078 C GLU A 72 11.683 -1.277 -8.367 1.00 0.00 C ATOM 1079 O GLU A 72 10.971 -0.316 -8.654 1.00 0.00 O ATOM 1080 CB GLU A 72 9.992 -2.827 -7.286 1.00 0.00 C ATOM 1081 CG GLU A 72 9.884 -3.635 -8.581 1.00 0.00 C ATOM 1082 CD GLU A 72 8.568 -4.425 -8.634 1.00 0.00 C ATOM 1083 OE1 GLU A 72 7.484 -3.798 -8.604 1.00 0.00 O ATOM 1084 OE2 GLU A 72 8.605 -5.674 -8.718 1.00 0.00 O ATOM 0 H GLU A 72 11.002 -0.267 -6.261 1.00 0.00 H new ATOM 0 HA GLU A 72 12.129 -2.868 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.835 -3.491 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.195 -2.084 -7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.943 -2.964 -9.438 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.727 -4.322 -8.656 1.00 0.00 H new ATOM 1091 N CYS A 73 12.744 -1.601 -9.112 1.00 0.00 N ATOM 1092 CA CYS A 73 12.998 -0.991 -10.414 1.00 0.00 C ATOM 1093 C CYS A 73 11.910 -1.472 -11.380 1.00 0.00 C ATOM 1094 O CYS A 73 11.786 -2.673 -11.632 1.00 0.00 O ATOM 1095 CB CYS A 73 14.410 -1.325 -10.927 1.00 0.00 C ATOM 1096 SG CYS A 73 14.763 -3.095 -10.726 1.00 0.00 S ATOM 0 H CYS A 73 13.444 -2.288 -8.830 1.00 0.00 H new ATOM 0 HA CYS A 73 12.960 0.095 -10.332 1.00 0.00 H new ATOM 0 HB2 CYS A 73 14.495 -1.049 -11.978 1.00 0.00 H new ATOM 0 HB3 CYS A 73 15.149 -0.737 -10.382 1.00 0.00 H new ATOM 0 HG CYS A 73 15.231 -3.573 -11.840 1.00 0.00 H new ATOM 1102 N LEU A 74 11.118 -0.545 -11.920 1.00 0.00 N ATOM 1103 CA LEU A 74 10.116 -0.857 -12.934 1.00 0.00 C ATOM 1104 C LEU A 74 10.793 -1.146 -14.277 1.00 0.00 C ATOM 1105 O LEU A 74 10.251 -1.894 -15.092 1.00 0.00 O ATOM 1106 CB LEU A 74 9.121 0.306 -13.071 1.00 0.00 C ATOM 1107 CG LEU A 74 8.306 0.613 -11.798 1.00 0.00 C ATOM 1108 CD1 LEU A 74 7.275 1.702 -12.109 1.00 0.00 C ATOM 1109 CD2 LEU A 74 7.578 -0.618 -11.241 1.00 0.00 C ATOM 0 H LEU A 74 11.155 0.442 -11.665 1.00 0.00 H new ATOM 0 HA LEU A 74 9.568 -1.747 -12.625 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.669 1.203 -13.360 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.429 0.080 -13.883 1.00 0.00 H new ATOM 0 HG LEU A 74 9.013 0.944 -11.038 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.696 1.922 -11.212 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.788 2.605 -12.441 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.606 1.355 -12.896 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.022 -0.338 -10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.887 -1.003 -11.991 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.307 -1.389 -10.990 1.00 0.00 H new ATOM 1121 N GLY A 75 11.980 -0.578 -14.499 1.00 0.00 N ATOM 1122 CA GLY A 75 12.821 -0.794 -15.661 1.00 0.00 C ATOM 1123 C GLY A 75 13.920 0.263 -15.664 1.00 0.00 C ATOM 1124 O GLY A 75 14.040 1.040 -14.708 1.00 0.00 O ATOM 0 H GLY A 75 12.395 0.076 -13.836 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.256 -1.793 -15.634 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.230 -0.729 -16.574 1.00 0.00 H new ATOM 1128 N GLY A 76 14.697 0.333 -16.741 1.00 0.00 N ATOM 1129 CA GLY A 76 15.701 1.370 -16.917 1.00 0.00 C ATOM 1130 C GLY A 76 15.901 1.710 -18.387 1.00 0.00 C ATOM 1131 O GLY A 76 15.152 1.247 -19.257 1.00 0.00 O ATOM 0 H GLY A 76 14.646 -0.329 -17.515 1.00 0.00 H new ATOM 0 HA2 GLY A 76 15.400 2.265 -16.373 1.00 0.00 H new ATOM 0 HA3 GLY A 76 16.646 1.039 -16.487 1.00 0.00 H new ATOM 1135 N GLY A 77 16.897 2.558 -18.638 1.00 0.00 N ATOM 1136 CA GLY A 77 17.222 3.097 -19.944 1.00 0.00 C ATOM 1137 C GLY A 77 18.404 4.048 -19.814 1.00 0.00 C ATOM 1138 O GLY A 77 19.157 3.997 -18.835 1.00 0.00 O ATOM 0 H GLY A 77 17.520 2.897 -17.905 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.465 2.289 -20.634 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.361 3.622 -20.358 1.00 0.00 H new ATOM 1142 N ARG A 78 18.567 4.945 -20.780 1.00 0.00 N ATOM 1143 CA ARG A 78 19.668 5.890 -20.862 1.00 0.00 C ATOM 1144 C ARG A 78 19.098 7.290 -21.042 1.00 0.00 C ATOM 1145 O ARG A 78 18.005 7.473 -21.583 1.00 0.00 O ATOM 1146 CB ARG A 78 20.593 5.471 -22.022 1.00 0.00 C ATOM 1147 CG ARG A 78 21.990 6.117 -21.978 1.00 0.00 C ATOM 1148 CD ARG A 78 22.770 5.875 -23.276 1.00 0.00 C ATOM 1149 NE ARG A 78 22.293 6.748 -24.365 1.00 0.00 N ATOM 1150 CZ ARG A 78 22.672 6.694 -25.647 1.00 0.00 C ATOM 1151 NH1 ARG A 78 23.533 5.772 -26.071 1.00 0.00 N ATOM 1152 NH2 ARG A 78 22.175 7.587 -26.493 1.00 0.00 N ATOM 0 H ARG A 78 17.910 5.035 -21.555 1.00 0.00 H new ATOM 0 HA ARG A 78 20.264 5.893 -19.950 1.00 0.00 H new ATOM 0 HB2 ARG A 78 20.705 4.387 -22.009 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.114 5.731 -22.966 1.00 0.00 H new ATOM 0 HG2 ARG A 78 21.890 7.189 -21.809 1.00 0.00 H new ATOM 0 HG3 ARG A 78 22.551 5.712 -21.136 1.00 0.00 H new ATOM 0 HD2 ARG A 78 23.831 6.055 -23.103 1.00 0.00 H new ATOM 0 HD3 ARG A 78 22.668 4.831 -23.574 1.00 0.00 H new ATOM 0 HE ARG A 78 21.608 7.462 -24.117 1.00 0.00 H new ATOM 0 HH11 ARG A 78 23.915 5.091 -25.415 1.00 0.00 H new ATOM 0 HH12 ARG A 78 23.810 5.746 -27.052 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.519 8.294 -26.161 1.00 0.00 H new ATOM 0 HH22 ARG A 78 22.449 7.566 -27.475 1.00 0.00 H new ATOM 1166 N ILE A 79 19.870 8.272 -20.599 1.00 0.00 N ATOM 1167 CA ILE A 79 19.600 9.688 -20.727 1.00 0.00 C ATOM 1168 C ILE A 79 20.615 10.165 -21.764 1.00 0.00 C ATOM 1169 O ILE A 79 21.803 9.846 -21.666 1.00 0.00 O ATOM 1170 CB ILE A 79 19.757 10.341 -19.333 1.00 0.00 C ATOM 1171 CG1 ILE A 79 18.560 9.929 -18.443 1.00 0.00 C ATOM 1172 CG2 ILE A 79 19.835 11.876 -19.431 1.00 0.00 C ATOM 1173 CD1 ILE A 79 18.690 10.356 -16.974 1.00 0.00 C ATOM 0 H ILE A 79 20.748 8.087 -20.115 1.00 0.00 H new ATOM 0 HA ILE A 79 18.593 9.946 -21.055 1.00 0.00 H new ATOM 0 HB ILE A 79 20.691 9.992 -18.892 1.00 0.00 H new ATOM 0 HG12 ILE A 79 17.649 10.362 -18.856 1.00 0.00 H new ATOM 0 HG13 ILE A 79 18.446 8.846 -18.486 1.00 0.00 H new ATOM 0 HG21 ILE A 79 19.945 12.299 -18.433 1.00 0.00 H new ATOM 0 HG22 ILE A 79 20.693 12.158 -20.041 1.00 0.00 H new ATOM 0 HG23 ILE A 79 18.923 12.258 -19.889 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.810 10.028 -16.421 1.00 0.00 H new ATOM 0 HD12 ILE A 79 19.581 9.902 -16.541 1.00 0.00 H new ATOM 0 HD13 ILE A 79 18.772 11.441 -16.916 1.00 0.00 H new ATOM 1185 N SER A 80 20.141 10.898 -22.768 1.00 0.00 N ATOM 1186 CA SER A 80 20.899 11.269 -23.955 1.00 0.00 C ATOM 1187 C SER A 80 20.725 12.768 -24.205 1.00 0.00 C ATOM 1188 O SER A 80 19.704 13.343 -23.827 1.00 0.00 O ATOM 1189 CB SER A 80 20.412 10.426 -25.138 1.00 0.00 C ATOM 1190 OG SER A 80 20.394 9.044 -24.795 1.00 0.00 O ATOM 0 H SER A 80 19.188 11.261 -22.776 1.00 0.00 H new ATOM 0 HA SER A 80 21.963 11.073 -23.820 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.413 10.746 -25.433 1.00 0.00 H new ATOM 0 HB3 SER A 80 21.064 10.585 -25.997 1.00 0.00 H new ATOM 0 HG SER A 80 19.524 8.660 -25.030 1.00 0.00 H new ATOM 1196 N HIS A 81 21.724 13.410 -24.809 1.00 0.00 N ATOM 1197 CA HIS A 81 21.803 14.864 -24.926 1.00 0.00 C ATOM 1198 C HIS A 81 22.706 15.253 -26.096 1.00 0.00 C ATOM 1199 O HIS A 81 22.292 16.030 -26.956 1.00 0.00 O ATOM 1200 CB HIS A 81 22.358 15.425 -23.603 1.00 0.00 C ATOM 1201 CG HIS A 81 22.528 16.926 -23.552 1.00 0.00 C ATOM 1202 ND1 HIS A 81 21.650 17.884 -24.016 1.00 0.00 N ATOM 1203 CD2 HIS A 81 23.562 17.595 -22.949 1.00 0.00 C ATOM 1204 CE1 HIS A 81 22.143 19.091 -23.695 1.00 0.00 C ATOM 1205 NE2 HIS A 81 23.316 18.970 -23.048 1.00 0.00 N ATOM 0 H HIS A 81 22.513 12.926 -25.237 1.00 0.00 H new ATOM 0 HA HIS A 81 20.814 15.279 -25.117 1.00 0.00 H new ATOM 0 HB2 HIS A 81 21.692 15.125 -22.794 1.00 0.00 H new ATOM 0 HB3 HIS A 81 23.325 14.961 -23.409 1.00 0.00 H new ATOM 0 HD1 HIS A 81 20.779 17.706 -24.516 1.00 0.00 H new ATOM 0 HD2 HIS A 81 24.420 17.139 -22.478 1.00 0.00 H new ATOM 0 HE1 HIS A 81 21.663 20.031 -23.925 1.00 0.00 H new ATOM 1213 N GLN A 82 23.920 14.690 -26.163 1.00 0.00 N ATOM 1214 CA GLN A 82 24.967 14.994 -27.142 1.00 0.00 C ATOM 1215 C GLN A 82 25.213 16.508 -27.336 1.00 0.00 C ATOM 1216 O GLN A 82 25.715 16.925 -28.381 1.00 0.00 O ATOM 1217 CB GLN A 82 24.672 14.250 -28.460 1.00 0.00 C ATOM 1218 CG GLN A 82 24.654 12.713 -28.355 1.00 0.00 C ATOM 1219 CD GLN A 82 23.308 12.153 -27.896 1.00 0.00 C ATOM 1220 OE1 GLN A 82 23.107 11.864 -26.720 1.00 0.00 O ATOM 1221 NE2 GLN A 82 22.350 12.002 -28.796 1.00 0.00 N ATOM 0 H GLN A 82 24.211 13.972 -25.499 1.00 0.00 H new ATOM 0 HA GLN A 82 25.914 14.627 -26.746 1.00 0.00 H new ATOM 0 HB2 GLN A 82 23.706 14.584 -28.839 1.00 0.00 H new ATOM 0 HB3 GLN A 82 25.421 14.539 -29.197 1.00 0.00 H new ATOM 0 HG2 GLN A 82 24.905 12.287 -29.326 1.00 0.00 H new ATOM 0 HG3 GLN A 82 25.429 12.394 -27.658 1.00 0.00 H new ATOM 0 HE21 GLN A 82 22.524 12.244 -29.771 1.00 0.00 H new ATOM 0 HE22 GLN A 82 21.438 11.643 -28.514 1.00 0.00 H new ATOM 1230 N SER A 83 24.855 17.337 -26.343 1.00 0.00 N ATOM 1231 CA SER A 83 24.874 18.800 -26.402 1.00 0.00 C ATOM 1232 C SER A 83 24.177 19.366 -27.657 1.00 0.00 C ATOM 1233 O SER A 83 24.549 20.436 -28.144 1.00 0.00 O ATOM 1234 CB SER A 83 26.318 19.300 -26.220 1.00 0.00 C ATOM 1235 OG SER A 83 26.932 18.698 -25.086 1.00 0.00 O ATOM 0 H SER A 83 24.531 16.988 -25.441 1.00 0.00 H new ATOM 0 HA SER A 83 24.277 19.188 -25.577 1.00 0.00 H new ATOM 0 HB2 SER A 83 26.899 19.074 -27.114 1.00 0.00 H new ATOM 0 HB3 SER A 83 26.319 20.384 -26.105 1.00 0.00 H new ATOM 0 HG SER A 83 27.849 19.032 -24.995 1.00 0.00 H new ATOM 1241 N GLN A 84 23.195 18.640 -28.213 1.00 0.00 N ATOM 1242 CA GLN A 84 22.611 18.963 -29.513 1.00 0.00 C ATOM 1243 C GLN A 84 21.791 20.260 -29.473 1.00 0.00 C ATOM 1244 O GLN A 84 21.748 20.995 -30.461 1.00 0.00 O ATOM 1245 CB GLN A 84 21.777 17.770 -30.018 1.00 0.00 C ATOM 1246 CG GLN A 84 20.456 17.535 -29.260 1.00 0.00 C ATOM 1247 CD GLN A 84 19.875 16.156 -29.568 1.00 0.00 C ATOM 1248 OE1 GLN A 84 19.018 15.995 -30.433 1.00 0.00 O ATOM 1249 NE2 GLN A 84 20.339 15.132 -28.870 1.00 0.00 N ATOM 0 H GLN A 84 22.788 17.816 -27.771 1.00 0.00 H new ATOM 0 HA GLN A 84 23.422 19.143 -30.219 1.00 0.00 H new ATOM 0 HB2 GLN A 84 21.551 17.924 -31.073 1.00 0.00 H new ATOM 0 HB3 GLN A 84 22.383 16.867 -29.950 1.00 0.00 H new ATOM 0 HG2 GLN A 84 20.628 17.628 -28.188 1.00 0.00 H new ATOM 0 HG3 GLN A 84 19.735 18.305 -29.535 1.00 0.00 H new ATOM 0 HE21 GLN A 84 21.051 15.283 -28.155 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.985 14.192 -29.047 1.00 0.00 H new ATOM 1258 N ASP A 85 21.132 20.527 -28.343 1.00 0.00 N ATOM 1259 CA ASP A 85 20.172 21.608 -28.128 1.00 0.00 C ATOM 1260 C ASP A 85 19.887 21.671 -26.620 1.00 0.00 C ATOM 1261 O ASP A 85 20.358 20.806 -25.873 1.00 0.00 O ATOM 1262 CB ASP A 85 18.874 21.300 -28.909 1.00 0.00 C ATOM 1263 CG ASP A 85 17.835 22.433 -28.856 1.00 0.00 C ATOM 1264 OD1 ASP A 85 18.224 23.611 -28.701 1.00 0.00 O ATOM 1265 OD2 ASP A 85 16.625 22.144 -28.980 1.00 0.00 O ATOM 0 H ASP A 85 21.263 19.960 -27.505 1.00 0.00 H new ATOM 0 HA ASP A 85 20.564 22.563 -28.478 1.00 0.00 H new ATOM 0 HB2 ASP A 85 19.126 21.099 -29.950 1.00 0.00 H new ATOM 0 HB3 ASP A 85 18.427 20.390 -28.508 1.00 0.00 H new ATOM 1270 N LYS A 86 19.107 22.650 -26.152 1.00 0.00 N ATOM 1271 CA LYS A 86 18.571 22.713 -24.785 1.00 0.00 C ATOM 1272 C LYS A 86 17.466 21.655 -24.601 1.00 0.00 C ATOM 1273 O LYS A 86 16.296 21.977 -24.390 1.00 0.00 O ATOM 1274 CB LYS A 86 18.163 24.160 -24.422 1.00 0.00 C ATOM 1275 CG LYS A 86 17.143 24.840 -25.361 1.00 0.00 C ATOM 1276 CD LYS A 86 17.019 26.354 -25.123 1.00 0.00 C ATOM 1277 CE LYS A 86 16.425 26.691 -23.748 1.00 0.00 C ATOM 1278 NZ LYS A 86 16.309 28.155 -23.531 1.00 0.00 N ATOM 0 H LYS A 86 18.822 23.443 -26.727 1.00 0.00 H new ATOM 0 HA LYS A 86 19.345 22.454 -24.062 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.750 24.156 -23.413 1.00 0.00 H new ATOM 0 HB3 LYS A 86 19.064 24.773 -24.395 1.00 0.00 H new ATOM 0 HG2 LYS A 86 17.437 24.664 -26.396 1.00 0.00 H new ATOM 0 HG3 LYS A 86 16.166 24.376 -25.224 1.00 0.00 H new ATOM 0 HD2 LYS A 86 18.004 26.813 -25.211 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.393 26.790 -25.901 1.00 0.00 H new ATOM 0 HE2 LYS A 86 15.440 26.233 -23.657 1.00 0.00 H new ATOM 0 HE3 LYS A 86 17.051 26.258 -22.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 15.903 28.335 -22.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 17.251 28.591 -23.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.691 28.566 -24.259 1.00 0.00 H new ATOM 1292 N LYS A 87 17.823 20.383 -24.797 1.00 0.00 N ATOM 1293 CA LYS A 87 16.928 19.237 -24.839 1.00 0.00 C ATOM 1294 C LYS A 87 17.711 18.024 -24.357 1.00 0.00 C ATOM 1295 O LYS A 87 18.899 17.890 -24.665 1.00 0.00 O ATOM 1296 CB LYS A 87 16.441 19.059 -26.287 1.00 0.00 C ATOM 1297 CG LYS A 87 15.455 17.897 -26.484 1.00 0.00 C ATOM 1298 CD LYS A 87 14.974 17.872 -27.943 1.00 0.00 C ATOM 1299 CE LYS A 87 14.066 16.663 -28.200 1.00 0.00 C ATOM 1300 NZ LYS A 87 13.623 16.580 -29.615 1.00 0.00 N ATOM 0 H LYS A 87 18.798 20.117 -24.938 1.00 0.00 H new ATOM 0 HA LYS A 87 16.056 19.371 -24.200 1.00 0.00 H new ATOM 0 HB2 LYS A 87 15.965 19.983 -26.614 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.305 18.900 -26.932 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.936 16.952 -26.233 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.604 18.010 -25.812 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.434 18.792 -28.168 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.833 17.835 -28.613 1.00 0.00 H new ATOM 0 HE2 LYS A 87 14.598 15.749 -27.934 1.00 0.00 H new ATOM 0 HE3 LYS A 87 13.192 16.724 -27.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.012 15.748 -29.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 13.092 17.439 -29.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 14.454 16.495 -30.235 1.00 0.00 H new ATOM 1314 N ILE A 88 17.045 17.121 -23.644 1.00 0.00 N ATOM 1315 CA ILE A 88 17.570 15.832 -23.199 1.00 0.00 C ATOM 1316 C ILE A 88 16.485 14.805 -23.561 1.00 0.00 C ATOM 1317 O ILE A 88 15.311 15.156 -23.708 1.00 0.00 O ATOM 1318 CB ILE A 88 17.968 15.917 -21.696 1.00 0.00 C ATOM 1319 CG1 ILE A 88 19.184 16.860 -21.529 1.00 0.00 C ATOM 1320 CG2 ILE A 88 18.240 14.549 -21.051 1.00 0.00 C ATOM 1321 CD1 ILE A 88 19.751 16.961 -20.109 1.00 0.00 C ATOM 0 H ILE A 88 16.081 17.274 -23.347 1.00 0.00 H new ATOM 0 HA ILE A 88 18.496 15.525 -23.685 1.00 0.00 H new ATOM 0 HB ILE A 88 17.109 16.325 -21.164 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.978 16.522 -22.195 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.895 17.858 -21.858 1.00 0.00 H new ATOM 0 HG21 ILE A 88 18.511 14.688 -20.004 1.00 0.00 H new ATOM 0 HG22 ILE A 88 17.344 13.932 -21.115 1.00 0.00 H new ATOM 0 HG23 ILE A 88 19.058 14.056 -21.576 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.599 17.646 -20.104 1.00 0.00 H new ATOM 0 HD12 ILE A 88 18.979 17.333 -19.435 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.079 15.976 -19.777 1.00 0.00 H new ATOM 1333 N HIS A 89 16.860 13.544 -23.750 1.00 0.00 N ATOM 1334 CA HIS A 89 15.976 12.491 -24.229 1.00 0.00 C ATOM 1335 C HIS A 89 16.174 11.252 -23.361 1.00 0.00 C ATOM 1336 O HIS A 89 17.286 11.019 -22.883 1.00 0.00 O ATOM 1337 CB HIS A 89 16.294 12.214 -25.704 1.00 0.00 C ATOM 1338 CG HIS A 89 15.288 11.323 -26.383 1.00 0.00 C ATOM 1339 ND1 HIS A 89 14.120 11.737 -26.984 1.00 0.00 N ATOM 1340 CD2 HIS A 89 15.376 9.967 -26.559 1.00 0.00 C ATOM 1341 CE1 HIS A 89 13.525 10.660 -27.519 1.00 0.00 C ATOM 1342 NE2 HIS A 89 14.248 9.552 -27.277 1.00 0.00 N ATOM 0 H HIS A 89 17.810 13.220 -23.570 1.00 0.00 H new ATOM 0 HA HIS A 89 14.930 12.789 -24.159 1.00 0.00 H new ATOM 0 HB2 HIS A 89 16.346 13.162 -26.239 1.00 0.00 H new ATOM 0 HB3 HIS A 89 17.280 11.754 -25.774 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.174 9.331 -26.206 1.00 0.00 H new ATOM 0 HE1 HIS A 89 12.595 10.680 -28.068 1.00 0.00 H new ATOM 0 HE2 HIS A 89 14.020 8.599 -27.560 1.00 0.00 H new ATOM 1350 N VAL A 90 15.121 10.456 -23.160 1.00 0.00 N ATOM 1351 CA VAL A 90 15.132 9.328 -22.236 1.00 0.00 C ATOM 1352 C VAL A 90 14.496 8.131 -22.947 1.00 0.00 C ATOM 1353 O VAL A 90 13.324 8.172 -23.316 1.00 0.00 O ATOM 1354 CB VAL A 90 14.391 9.696 -20.929 1.00 0.00 C ATOM 1355 CG1 VAL A 90 14.738 8.672 -19.837 1.00 0.00 C ATOM 1356 CG2 VAL A 90 14.731 11.098 -20.388 1.00 0.00 C ATOM 0 H VAL A 90 14.230 10.581 -23.641 1.00 0.00 H new ATOM 0 HA VAL A 90 16.151 9.069 -21.950 1.00 0.00 H new ATOM 0 HB VAL A 90 13.330 9.689 -21.178 1.00 0.00 H new ATOM 0 HG11 VAL A 90 14.216 8.931 -18.916 1.00 0.00 H new ATOM 0 HG12 VAL A 90 14.431 7.677 -20.160 1.00 0.00 H new ATOM 0 HG13 VAL A 90 15.813 8.680 -19.659 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.171 11.280 -19.471 1.00 0.00 H new ATOM 0 HG22 VAL A 90 15.799 11.158 -20.179 1.00 0.00 H new ATOM 0 HG23 VAL A 90 14.464 11.849 -21.131 1.00 0.00 H new ATOM 1366 N TYR A 91 15.271 7.079 -23.196 1.00 0.00 N ATOM 1367 CA TYR A 91 14.837 5.895 -23.937 1.00 0.00 C ATOM 1368 C TYR A 91 15.770 4.736 -23.581 1.00 0.00 C ATOM 1369 O TYR A 91 16.778 4.969 -22.914 1.00 0.00 O ATOM 1370 CB TYR A 91 14.834 6.187 -25.451 1.00 0.00 C ATOM 1371 CG TYR A 91 16.161 6.068 -26.196 1.00 0.00 C ATOM 1372 CD1 TYR A 91 17.347 6.642 -25.691 1.00 0.00 C ATOM 1373 CD2 TYR A 91 16.202 5.369 -27.418 1.00 0.00 C ATOM 1374 CE1 TYR A 91 18.559 6.493 -26.383 1.00 0.00 C ATOM 1375 CE2 TYR A 91 17.409 5.227 -28.125 1.00 0.00 C ATOM 1376 CZ TYR A 91 18.599 5.786 -27.605 1.00 0.00 C ATOM 1377 OH TYR A 91 19.783 5.653 -28.267 1.00 0.00 O ATOM 0 H TYR A 91 16.240 7.023 -22.882 1.00 0.00 H new ATOM 0 HA TYR A 91 13.817 5.623 -23.664 1.00 0.00 H new ATOM 0 HB2 TYR A 91 14.122 5.510 -25.922 1.00 0.00 H new ATOM 0 HB3 TYR A 91 14.456 7.199 -25.597 1.00 0.00 H new ATOM 0 HD1 TYR A 91 17.322 7.199 -24.766 1.00 0.00 H new ATOM 0 HD2 TYR A 91 15.296 4.937 -27.817 1.00 0.00 H new ATOM 0 HE1 TYR A 91 19.465 6.921 -25.979 1.00 0.00 H new ATOM 0 HE2 TYR A 91 17.427 4.692 -29.063 1.00 0.00 H new ATOM 0 HH TYR A 91 19.642 5.140 -29.090 1.00 0.00 H new ATOM 1387 N GLY A 92 15.499 3.505 -24.019 1.00 0.00 N ATOM 1388 CA GLY A 92 16.419 2.390 -23.816 1.00 0.00 C ATOM 1389 C GLY A 92 15.726 1.127 -23.320 1.00 0.00 C ATOM 1390 O GLY A 92 14.501 0.999 -23.370 1.00 0.00 O ATOM 0 H GLY A 92 14.645 3.257 -24.519 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.930 2.173 -24.754 1.00 0.00 H new ATOM 0 HA3 GLY A 92 17.184 2.684 -23.097 1.00 0.00 H new ATOM 1394 N TYR A 93 16.548 0.195 -22.835 1.00 0.00 N ATOM 1395 CA TYR A 93 16.180 -1.130 -22.362 1.00 0.00 C ATOM 1396 C TYR A 93 17.238 -1.562 -21.341 1.00 0.00 C ATOM 1397 O TYR A 93 18.386 -1.114 -21.420 1.00 0.00 O ATOM 1398 CB TYR A 93 16.156 -2.072 -23.577 1.00 0.00 C ATOM 1399 CG TYR A 93 15.973 -3.547 -23.284 1.00 0.00 C ATOM 1400 CD1 TYR A 93 14.682 -4.074 -23.116 1.00 0.00 C ATOM 1401 CD2 TYR A 93 17.091 -4.402 -23.248 1.00 0.00 C ATOM 1402 CE1 TYR A 93 14.502 -5.452 -22.903 1.00 0.00 C ATOM 1403 CE2 TYR A 93 16.918 -5.785 -23.067 1.00 0.00 C ATOM 1404 CZ TYR A 93 15.619 -6.318 -22.886 1.00 0.00 C ATOM 1405 OH TYR A 93 15.431 -7.656 -22.709 1.00 0.00 O ATOM 0 H TYR A 93 17.551 0.361 -22.760 1.00 0.00 H new ATOM 0 HA TYR A 93 15.199 -1.148 -21.887 1.00 0.00 H new ATOM 0 HB2 TYR A 93 15.352 -1.753 -24.240 1.00 0.00 H new ATOM 0 HB3 TYR A 93 17.090 -1.946 -24.125 1.00 0.00 H new ATOM 0 HD1 TYR A 93 13.824 -3.418 -23.151 1.00 0.00 H new ATOM 0 HD2 TYR A 93 18.085 -3.994 -23.360 1.00 0.00 H new ATOM 0 HE1 TYR A 93 13.509 -5.849 -22.752 1.00 0.00 H new ATOM 0 HE2 TYR A 93 17.776 -6.441 -23.066 1.00 0.00 H new ATOM 0 HH TYR A 93 16.298 -8.113 -22.723 1.00 0.00 H new ATOM 1415 N SER A 94 16.867 -2.457 -20.423 1.00 0.00 N ATOM 1416 CA SER A 94 17.732 -2.974 -19.371 1.00 0.00 C ATOM 1417 C SER A 94 17.447 -4.468 -19.258 1.00 0.00 C ATOM 1418 O SER A 94 16.389 -4.850 -18.764 1.00 0.00 O ATOM 1419 CB SER A 94 17.430 -2.243 -18.054 1.00 0.00 C ATOM 1420 OG SER A 94 17.550 -0.845 -18.217 1.00 0.00 O ATOM 0 H SER A 94 15.927 -2.851 -20.394 1.00 0.00 H new ATOM 0 HA SER A 94 18.786 -2.813 -19.597 1.00 0.00 H new ATOM 0 HB2 SER A 94 16.422 -2.489 -17.719 1.00 0.00 H new ATOM 0 HB3 SER A 94 18.116 -2.583 -17.278 1.00 0.00 H new ATOM 0 HG SER A 94 18.207 -0.653 -18.918 1.00 0.00 H new ATOM 1426 N MET A 95 18.354 -5.324 -19.736 1.00 0.00 N ATOM 1427 CA MET A 95 18.093 -6.761 -19.877 1.00 0.00 C ATOM 1428 C MET A 95 17.669 -7.446 -18.570 1.00 0.00 C ATOM 1429 O MET A 95 16.933 -8.434 -18.609 1.00 0.00 O ATOM 1430 CB MET A 95 19.304 -7.465 -20.517 1.00 0.00 C ATOM 1431 CG MET A 95 20.569 -7.458 -19.646 1.00 0.00 C ATOM 1432 SD MET A 95 22.004 -8.245 -20.429 1.00 0.00 S ATOM 1433 CE MET A 95 23.221 -8.037 -19.101 1.00 0.00 C ATOM 0 H MET A 95 19.288 -5.043 -20.036 1.00 0.00 H new ATOM 0 HA MET A 95 17.234 -6.856 -20.541 1.00 0.00 H new ATOM 0 HB2 MET A 95 19.035 -8.498 -20.738 1.00 0.00 H new ATOM 0 HB3 MET A 95 19.529 -6.983 -21.469 1.00 0.00 H new ATOM 0 HG2 MET A 95 20.822 -6.427 -19.398 1.00 0.00 H new ATOM 0 HG3 MET A 95 20.355 -7.968 -18.707 1.00 0.00 H new ATOM 0 HE1 MET A 95 24.174 -8.467 -19.410 1.00 0.00 H new ATOM 0 HE2 MET A 95 23.353 -6.976 -18.891 1.00 0.00 H new ATOM 0 HE3 MET A 95 22.869 -8.543 -18.202 1.00 0.00 H new ATOM 1443 N ALA A 96 18.111 -6.929 -17.418 1.00 0.00 N ATOM 1444 CA ALA A 96 17.801 -7.504 -16.115 1.00 0.00 C ATOM 1445 C ALA A 96 16.385 -7.165 -15.625 1.00 0.00 C ATOM 1446 O ALA A 96 15.863 -7.907 -14.790 1.00 0.00 O ATOM 1447 CB ALA A 96 18.830 -7.003 -15.094 1.00 0.00 C ATOM 0 H ALA A 96 18.697 -6.095 -17.369 1.00 0.00 H new ATOM 0 HA ALA A 96 17.845 -8.588 -16.219 1.00 0.00 H new ATOM 0 HB1 ALA A 96 18.607 -7.427 -14.115 1.00 0.00 H new ATOM 0 HB2 ALA A 96 19.829 -7.310 -15.404 1.00 0.00 H new ATOM 0 HB3 ALA A 96 18.786 -5.915 -15.037 1.00 0.00 H new ATOM 1453 N TYR A 97 15.756 -6.090 -16.126 1.00 0.00 N ATOM 1454 CA TYR A 97 14.511 -5.553 -15.555 1.00 0.00 C ATOM 1455 C TYR A 97 13.444 -5.185 -16.595 1.00 0.00 C ATOM 1456 O TYR A 97 12.313 -4.872 -16.220 1.00 0.00 O ATOM 1457 CB TYR A 97 14.853 -4.315 -14.704 1.00 0.00 C ATOM 1458 CG TYR A 97 15.988 -4.497 -13.706 1.00 0.00 C ATOM 1459 CD1 TYR A 97 15.928 -5.530 -12.748 1.00 0.00 C ATOM 1460 CD2 TYR A 97 17.106 -3.640 -13.738 1.00 0.00 C ATOM 1461 CE1 TYR A 97 16.983 -5.721 -11.839 1.00 0.00 C ATOM 1462 CE2 TYR A 97 18.159 -3.816 -12.823 1.00 0.00 C ATOM 1463 CZ TYR A 97 18.104 -4.860 -11.870 1.00 0.00 C ATOM 1464 OH TYR A 97 19.134 -5.036 -10.997 1.00 0.00 O ATOM 0 H TYR A 97 16.095 -5.570 -16.936 1.00 0.00 H new ATOM 0 HA TYR A 97 14.073 -6.349 -14.953 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.110 -3.495 -15.374 1.00 0.00 H new ATOM 0 HB3 TYR A 97 13.959 -4.012 -14.159 1.00 0.00 H new ATOM 0 HD1 TYR A 97 15.065 -6.179 -12.712 1.00 0.00 H new ATOM 0 HD2 TYR A 97 17.154 -2.845 -14.468 1.00 0.00 H new ATOM 0 HE1 TYR A 97 16.937 -6.524 -11.118 1.00 0.00 H new ATOM 0 HE2 TYR A 97 19.011 -3.153 -12.848 1.00 0.00 H new ATOM 0 HH TYR A 97 19.866 -5.508 -11.446 1.00 0.00 H new ATOM 1474 N GLY A 98 13.776 -5.223 -17.886 1.00 0.00 N ATOM 1475 CA GLY A 98 12.940 -4.703 -18.957 1.00 0.00 C ATOM 1476 C GLY A 98 13.113 -3.185 -19.107 1.00 0.00 C ATOM 1477 O GLY A 98 13.780 -2.539 -18.289 1.00 0.00 O ATOM 0 H GLY A 98 14.652 -5.625 -18.218 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.197 -5.196 -19.895 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.895 -4.934 -18.751 1.00 0.00 H new ATOM 1481 N PRO A 99 12.542 -2.594 -20.167 1.00 0.00 N ATOM 1482 CA PRO A 99 12.618 -1.160 -20.401 1.00 0.00 C ATOM 1483 C PRO A 99 11.702 -0.430 -19.414 1.00 0.00 C ATOM 1484 O PRO A 99 10.626 -0.928 -19.066 1.00 0.00 O ATOM 1485 CB PRO A 99 12.143 -0.977 -21.846 1.00 0.00 C ATOM 1486 CG PRO A 99 11.141 -2.115 -22.046 1.00 0.00 C ATOM 1487 CD PRO A 99 11.671 -3.234 -21.145 1.00 0.00 C ATOM 0 HA PRO A 99 13.619 -0.754 -20.257 1.00 0.00 H new ATOM 0 HB2 PRO A 99 11.677 -0.003 -21.994 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.971 -1.044 -22.551 1.00 0.00 H new ATOM 0 HG2 PRO A 99 10.133 -1.815 -21.760 1.00 0.00 H new ATOM 0 HG3 PRO A 99 11.096 -2.429 -23.089 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.852 -3.757 -20.652 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.219 -3.975 -21.727 1.00 0.00 H new ATOM 1495 N ALA A 100 12.114 0.756 -18.962 1.00 0.00 N ATOM 1496 CA ALA A 100 11.215 1.622 -18.210 1.00 0.00 C ATOM 1497 C ALA A 100 10.148 2.190 -19.153 1.00 0.00 C ATOM 1498 O ALA A 100 10.273 2.136 -20.380 1.00 0.00 O ATOM 1499 CB ALA A 100 11.989 2.767 -17.566 1.00 0.00 C ATOM 0 H ALA A 100 13.052 1.132 -19.103 1.00 0.00 H new ATOM 0 HA ALA A 100 10.739 1.037 -17.423 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.301 3.403 -17.009 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.740 2.362 -16.887 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.480 3.355 -18.341 1.00 0.00 H new ATOM 1505 N GLN A 101 9.113 2.791 -18.567 1.00 0.00 N ATOM 1506 CA GLN A 101 8.064 3.486 -19.302 1.00 0.00 C ATOM 1507 C GLN A 101 8.595 4.732 -20.022 1.00 0.00 C ATOM 1508 O GLN A 101 8.061 5.091 -21.068 1.00 0.00 O ATOM 1509 CB GLN A 101 6.936 3.893 -18.341 1.00 0.00 C ATOM 1510 CG GLN A 101 6.282 2.704 -17.620 1.00 0.00 C ATOM 1511 CD GLN A 101 6.873 2.441 -16.236 1.00 0.00 C ATOM 1512 OE1 GLN A 101 7.960 1.888 -16.105 1.00 0.00 O ATOM 1513 NE2 GLN A 101 6.190 2.845 -15.178 1.00 0.00 N ATOM 0 H GLN A 101 8.980 2.807 -17.556 1.00 0.00 H new ATOM 0 HA GLN A 101 7.684 2.799 -20.058 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.335 4.583 -17.597 1.00 0.00 H new ATOM 0 HB3 GLN A 101 6.172 4.433 -18.900 1.00 0.00 H new ATOM 0 HG2 GLN A 101 5.213 2.890 -17.522 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.395 1.809 -18.232 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.287 3.304 -15.299 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.566 2.698 -14.241 1.00 0.00 H new ATOM 1522 N HIS A 102 9.614 5.394 -19.454 1.00 0.00 N ATOM 1523 CA HIS A 102 10.215 6.677 -19.840 1.00 0.00 C ATOM 1524 C HIS A 102 9.263 7.885 -19.871 1.00 0.00 C ATOM 1525 O HIS A 102 9.701 8.987 -19.547 1.00 0.00 O ATOM 1526 CB HIS A 102 10.986 6.533 -21.156 1.00 0.00 C ATOM 1527 CG HIS A 102 12.005 5.425 -21.159 1.00 0.00 C ATOM 1528 ND1 HIS A 102 11.991 4.292 -21.942 1.00 0.00 N ATOM 1529 CD2 HIS A 102 13.062 5.308 -20.302 1.00 0.00 C ATOM 1530 CE1 HIS A 102 13.005 3.506 -21.543 1.00 0.00 C ATOM 1531 NE2 HIS A 102 13.712 4.099 -20.568 1.00 0.00 N ATOM 0 H HIS A 102 10.082 5.006 -18.635 1.00 0.00 H new ATOM 0 HA HIS A 102 10.904 6.917 -19.030 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.275 6.359 -21.963 1.00 0.00 H new ATOM 0 HB3 HIS A 102 11.490 7.475 -21.373 1.00 0.00 H new ATOM 0 HD1 HIS A 102 11.329 4.086 -22.691 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.347 6.027 -19.548 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.222 2.530 -21.951 1.00 0.00 H new ATOM 1539 N ALA A 103 7.973 7.706 -20.172 1.00 0.00 N ATOM 1540 CA ALA A 103 6.966 8.761 -20.103 1.00 0.00 C ATOM 1541 C ALA A 103 6.830 9.316 -18.678 1.00 0.00 C ATOM 1542 O ALA A 103 6.594 10.512 -18.500 1.00 0.00 O ATOM 1543 CB ALA A 103 5.621 8.205 -20.581 1.00 0.00 C ATOM 0 H ALA A 103 7.596 6.808 -20.475 1.00 0.00 H new ATOM 0 HA ALA A 103 7.280 9.582 -20.748 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.865 8.989 -20.532 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.716 7.857 -21.610 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.324 7.373 -19.942 1.00 0.00 H new ATOM 1549 N ILE A 104 6.988 8.452 -17.665 1.00 0.00 N ATOM 1550 CA ILE A 104 7.022 8.862 -16.261 1.00 0.00 C ATOM 1551 C ILE A 104 8.180 9.850 -16.104 1.00 0.00 C ATOM 1552 O ILE A 104 7.980 10.978 -15.656 1.00 0.00 O ATOM 1553 CB ILE A 104 7.194 7.640 -15.322 1.00 0.00 C ATOM 1554 CG1 ILE A 104 6.148 6.522 -15.541 1.00 0.00 C ATOM 1555 CG2 ILE A 104 7.211 8.075 -13.845 1.00 0.00 C ATOM 1556 CD1 ILE A 104 4.724 6.846 -15.091 1.00 0.00 C ATOM 0 H ILE A 104 7.096 7.447 -17.801 1.00 0.00 H new ATOM 0 HA ILE A 104 6.080 9.333 -15.980 1.00 0.00 H new ATOM 0 HB ILE A 104 8.159 7.208 -15.586 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.126 6.274 -16.602 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.482 5.629 -15.012 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.333 7.198 -13.209 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.040 8.763 -13.678 1.00 0.00 H new ATOM 0 HG23 ILE A 104 6.272 8.572 -13.601 1.00 0.00 H new ATOM 0 HD11 ILE A 104 4.076 5.993 -15.292 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.720 7.061 -14.022 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.359 7.716 -15.637 1.00 0.00 H new ATOM 1568 N SER A 105 9.380 9.434 -16.519 1.00 0.00 N ATOM 1569 CA SER A 105 10.601 10.199 -16.381 1.00 0.00 C ATOM 1570 C SER A 105 10.452 11.589 -16.975 1.00 0.00 C ATOM 1571 O SER A 105 10.743 12.563 -16.289 1.00 0.00 O ATOM 1572 CB SER A 105 11.741 9.446 -17.062 1.00 0.00 C ATOM 1573 OG SER A 105 11.726 8.086 -16.664 1.00 0.00 O ATOM 0 H SER A 105 9.522 8.531 -16.971 1.00 0.00 H new ATOM 0 HA SER A 105 10.823 10.320 -15.321 1.00 0.00 H new ATOM 0 HB2 SER A 105 11.640 9.518 -18.145 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.696 9.900 -16.800 1.00 0.00 H new ATOM 0 HG SER A 105 12.389 7.945 -15.956 1.00 0.00 H new ATOM 1579 N THR A 106 9.973 11.701 -18.212 1.00 0.00 N ATOM 1580 CA THR A 106 9.840 12.993 -18.869 1.00 0.00 C ATOM 1581 C THR A 106 8.893 13.930 -18.117 1.00 0.00 C ATOM 1582 O THR A 106 9.229 15.102 -17.954 1.00 0.00 O ATOM 1583 CB THR A 106 9.437 12.818 -20.340 1.00 0.00 C ATOM 1584 OG1 THR A 106 8.433 11.839 -20.518 1.00 0.00 O ATOM 1585 CG2 THR A 106 10.643 12.361 -21.157 1.00 0.00 C ATOM 0 H THR A 106 9.671 10.908 -18.778 1.00 0.00 H new ATOM 0 HA THR A 106 10.818 13.474 -18.850 1.00 0.00 H new ATOM 0 HB THR A 106 9.059 13.787 -20.668 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.961 11.696 -19.671 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.351 12.239 -22.200 1.00 0.00 H new ATOM 0 HG22 THR A 106 11.434 13.108 -21.087 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.007 11.410 -20.768 1.00 0.00 H new ATOM 1593 N GLU A 107 7.756 13.446 -17.608 1.00 0.00 N ATOM 1594 CA GLU A 107 6.827 14.288 -16.864 1.00 0.00 C ATOM 1595 C GLU A 107 7.490 14.793 -15.578 1.00 0.00 C ATOM 1596 O GLU A 107 7.436 15.988 -15.276 1.00 0.00 O ATOM 1597 CB GLU A 107 5.533 13.519 -16.553 1.00 0.00 C ATOM 1598 CG GLU A 107 4.638 13.312 -17.785 1.00 0.00 C ATOM 1599 CD GLU A 107 4.009 14.626 -18.284 1.00 0.00 C ATOM 1600 OE1 GLU A 107 2.971 15.058 -17.731 1.00 0.00 O ATOM 1601 OE2 GLU A 107 4.530 15.231 -19.247 1.00 0.00 O ATOM 0 H GLU A 107 7.461 12.474 -17.700 1.00 0.00 H new ATOM 0 HA GLU A 107 6.564 15.151 -17.476 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.789 12.547 -16.131 1.00 0.00 H new ATOM 0 HB3 GLU A 107 4.971 14.060 -15.791 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.227 12.867 -18.587 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.846 12.604 -17.540 1.00 0.00 H new ATOM 1608 N LYS A 108 8.164 13.904 -14.840 1.00 0.00 N ATOM 1609 CA LYS A 108 8.846 14.277 -13.604 1.00 0.00 C ATOM 1610 C LYS A 108 9.989 15.250 -13.883 1.00 0.00 C ATOM 1611 O LYS A 108 10.145 16.243 -13.175 1.00 0.00 O ATOM 1612 CB LYS A 108 9.386 13.023 -12.902 1.00 0.00 C ATOM 1613 CG LYS A 108 8.338 11.997 -12.454 1.00 0.00 C ATOM 1614 CD LYS A 108 7.284 12.576 -11.496 1.00 0.00 C ATOM 1615 CE LYS A 108 6.637 11.477 -10.644 1.00 0.00 C ATOM 1616 NZ LYS A 108 7.626 10.833 -9.747 1.00 0.00 N ATOM 0 H LYS A 108 8.250 12.917 -15.082 1.00 0.00 H new ATOM 0 HA LYS A 108 8.125 14.772 -12.953 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.086 12.527 -13.575 1.00 0.00 H new ATOM 0 HB3 LYS A 108 9.954 13.338 -12.027 1.00 0.00 H new ATOM 0 HG2 LYS A 108 7.836 11.594 -13.334 1.00 0.00 H new ATOM 0 HG3 LYS A 108 8.843 11.163 -11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.749 13.316 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 108 6.515 13.094 -12.069 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.829 11.904 -10.050 1.00 0.00 H new ATOM 0 HE3 LYS A 108 6.191 10.725 -11.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.707 9.824 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.552 11.292 -9.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.314 10.930 -8.760 1.00 0.00 H new ATOM 1630 N ILE A 109 10.784 14.992 -14.920 1.00 0.00 N ATOM 1631 CA ILE A 109 11.907 15.830 -15.309 1.00 0.00 C ATOM 1632 C ILE A 109 11.382 17.211 -15.708 1.00 0.00 C ATOM 1633 O ILE A 109 11.925 18.206 -15.233 1.00 0.00 O ATOM 1634 CB ILE A 109 12.728 15.113 -16.410 1.00 0.00 C ATOM 1635 CG1 ILE A 109 13.551 13.962 -15.779 1.00 0.00 C ATOM 1636 CG2 ILE A 109 13.689 16.066 -17.135 1.00 0.00 C ATOM 1637 CD1 ILE A 109 14.097 12.962 -16.809 1.00 0.00 C ATOM 0 H ILE A 109 10.660 14.178 -15.522 1.00 0.00 H new ATOM 0 HA ILE A 109 12.596 15.991 -14.480 1.00 0.00 H new ATOM 0 HB ILE A 109 12.018 14.727 -17.141 1.00 0.00 H new ATOM 0 HG12 ILE A 109 14.385 14.387 -15.220 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.925 13.429 -15.063 1.00 0.00 H new ATOM 0 HG21 ILE A 109 14.241 15.516 -17.897 1.00 0.00 H new ATOM 0 HG22 ILE A 109 13.120 16.867 -17.607 1.00 0.00 H new ATOM 0 HG23 ILE A 109 14.389 16.493 -16.417 1.00 0.00 H new ATOM 0 HD11 ILE A 109 14.663 12.184 -16.296 1.00 0.00 H new ATOM 0 HD12 ILE A 109 13.267 12.509 -17.352 1.00 0.00 H new ATOM 0 HD13 ILE A 109 14.749 13.482 -17.511 1.00 0.00 H new ATOM 1649 N LYS A 110 10.317 17.313 -16.511 1.00 0.00 N ATOM 1650 CA LYS A 110 9.763 18.619 -16.869 1.00 0.00 C ATOM 1651 C LYS A 110 9.242 19.366 -15.638 1.00 0.00 C ATOM 1652 O LYS A 110 9.305 20.591 -15.633 1.00 0.00 O ATOM 1653 CB LYS A 110 8.677 18.505 -17.954 1.00 0.00 C ATOM 1654 CG LYS A 110 9.275 18.209 -19.343 1.00 0.00 C ATOM 1655 CD LYS A 110 8.247 18.261 -20.486 1.00 0.00 C ATOM 1656 CE LYS A 110 7.656 19.672 -20.655 1.00 0.00 C ATOM 1657 NZ LYS A 110 6.786 19.800 -21.849 1.00 0.00 N ATOM 0 H LYS A 110 9.828 16.517 -16.920 1.00 0.00 H new ATOM 0 HA LYS A 110 10.580 19.205 -17.290 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.978 17.714 -17.685 1.00 0.00 H new ATOM 0 HB3 LYS A 110 8.107 19.433 -17.995 1.00 0.00 H new ATOM 0 HG2 LYS A 110 10.068 18.928 -19.547 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.736 17.222 -19.327 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.722 17.951 -21.417 1.00 0.00 H new ATOM 0 HD3 LYS A 110 7.444 17.551 -20.286 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.081 19.927 -19.765 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.470 20.394 -20.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.903 20.281 -21.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.277 20.355 -22.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.567 18.854 -22.222 1.00 0.00 H new ATOM 1671 N ALA A 111 8.768 18.681 -14.590 1.00 0.00 N ATOM 1672 CA ALA A 111 8.420 19.345 -13.336 1.00 0.00 C ATOM 1673 C ALA A 111 9.677 19.853 -12.608 1.00 0.00 C ATOM 1674 O ALA A 111 9.682 20.977 -12.103 1.00 0.00 O ATOM 1675 CB ALA A 111 7.608 18.400 -12.440 1.00 0.00 C ATOM 0 H ALA A 111 8.619 17.672 -14.589 1.00 0.00 H new ATOM 0 HA ALA A 111 7.803 20.213 -13.569 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.356 18.908 -11.509 1.00 0.00 H new ATOM 0 HB2 ALA A 111 6.692 18.109 -12.954 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.199 17.511 -12.219 1.00 0.00 H new ATOM 1681 N LYS A 112 10.740 19.041 -12.540 1.00 0.00 N ATOM 1682 CA LYS A 112 11.985 19.379 -11.841 1.00 0.00 C ATOM 1683 C LYS A 112 12.802 20.456 -12.576 1.00 0.00 C ATOM 1684 O LYS A 112 13.532 21.203 -11.925 1.00 0.00 O ATOM 1685 CB LYS A 112 12.770 18.078 -11.583 1.00 0.00 C ATOM 1686 CG LYS A 112 14.046 18.273 -10.747 1.00 0.00 C ATOM 1687 CD LYS A 112 13.788 18.748 -9.306 1.00 0.00 C ATOM 1688 CE LYS A 112 15.096 18.892 -8.510 1.00 0.00 C ATOM 1689 NZ LYS A 112 15.537 17.634 -7.853 1.00 0.00 N ATOM 0 H LYS A 112 10.759 18.119 -12.975 1.00 0.00 H new ATOM 0 HA LYS A 112 11.751 19.837 -10.880 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.119 17.368 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.040 17.633 -12.541 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.594 17.331 -10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.688 18.998 -11.247 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.268 19.706 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.131 18.039 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.883 19.236 -9.181 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.965 19.662 -7.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.506 17.751 -7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.900 17.414 -7.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.514 16.856 -8.542 1.00 0.00 H new ATOM 1703 N TYR A 113 12.667 20.570 -13.900 1.00 0.00 N ATOM 1704 CA TYR A 113 13.499 21.403 -14.773 1.00 0.00 C ATOM 1705 C TYR A 113 15.017 21.268 -14.506 1.00 0.00 C ATOM 1706 O TYR A 113 15.684 22.277 -14.254 1.00 0.00 O ATOM 1707 CB TYR A 113 13.024 22.872 -14.759 1.00 0.00 C ATOM 1708 CG TYR A 113 11.639 23.130 -15.321 1.00 0.00 C ATOM 1709 CD1 TYR A 113 11.433 23.084 -16.713 1.00 0.00 C ATOM 1710 CD2 TYR A 113 10.577 23.485 -14.465 1.00 0.00 C ATOM 1711 CE1 TYR A 113 10.170 23.384 -17.254 1.00 0.00 C ATOM 1712 CE2 TYR A 113 9.311 23.788 -14.998 1.00 0.00 C ATOM 1713 CZ TYR A 113 9.100 23.735 -16.396 1.00 0.00 C ATOM 1714 OH TYR A 113 7.870 24.036 -16.901 1.00 0.00 O ATOM 0 H TYR A 113 11.946 20.064 -14.414 1.00 0.00 H new ATOM 0 HA TYR A 113 13.361 21.018 -15.784 1.00 0.00 H new ATOM 0 HB2 TYR A 113 13.049 23.231 -13.730 1.00 0.00 H new ATOM 0 HB3 TYR A 113 13.740 23.470 -15.323 1.00 0.00 H new ATOM 0 HD1 TYR A 113 12.249 22.817 -17.368 1.00 0.00 H new ATOM 0 HD2 TYR A 113 10.736 23.524 -13.397 1.00 0.00 H new ATOM 0 HE1 TYR A 113 10.017 23.347 -18.322 1.00 0.00 H new ATOM 0 HE2 TYR A 113 8.500 24.061 -14.340 1.00 0.00 H new ATOM 0 HH TYR A 113 7.259 24.252 -16.166 1.00 0.00 H new ATOM 1724 N PRO A 114 15.612 20.055 -14.553 1.00 0.00 N ATOM 1725 CA PRO A 114 17.067 19.903 -14.534 1.00 0.00 C ATOM 1726 C PRO A 114 17.674 20.372 -15.875 1.00 0.00 C ATOM 1727 O PRO A 114 18.867 20.669 -15.948 1.00 0.00 O ATOM 1728 CB PRO A 114 17.309 18.414 -14.280 1.00 0.00 C ATOM 1729 CG PRO A 114 16.131 17.760 -14.987 1.00 0.00 C ATOM 1730 CD PRO A 114 14.991 18.765 -14.808 1.00 0.00 C ATOM 0 HA PRO A 114 17.544 20.511 -13.765 1.00 0.00 H new ATOM 0 HB2 PRO A 114 18.263 18.083 -14.691 1.00 0.00 H new ATOM 0 HB3 PRO A 114 17.322 18.182 -13.215 1.00 0.00 H new ATOM 0 HG2 PRO A 114 16.346 17.583 -16.041 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.886 16.794 -14.545 1.00 0.00 H new ATOM 0 HD2 PRO A 114 14.366 18.805 -15.700 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.345 18.475 -13.979 1.00 0.00 H new ATOM 1738 N ASP A 115 16.847 20.468 -16.923 1.00 0.00 N ATOM 1739 CA ASP A 115 17.118 21.074 -18.223 1.00 0.00 C ATOM 1740 C ASP A 115 15.794 21.708 -18.694 1.00 0.00 C ATOM 1741 O ASP A 115 14.788 21.624 -17.978 1.00 0.00 O ATOM 1742 CB ASP A 115 17.674 20.034 -19.211 1.00 0.00 C ATOM 1743 CG ASP A 115 18.404 20.718 -20.380 1.00 0.00 C ATOM 1744 OD1 ASP A 115 17.744 21.077 -21.380 1.00 0.00 O ATOM 1745 OD2 ASP A 115 19.632 20.932 -20.281 1.00 0.00 O ATOM 0 H ASP A 115 15.899 20.094 -16.876 1.00 0.00 H new ATOM 0 HA ASP A 115 17.889 21.842 -18.159 1.00 0.00 H new ATOM 0 HB2 ASP A 115 18.359 19.364 -18.692 1.00 0.00 H new ATOM 0 HB3 ASP A 115 16.859 19.421 -19.596 1.00 0.00 H new ATOM 1750 N TYR A 116 15.776 22.372 -19.849 1.00 0.00 N ATOM 1751 CA TYR A 116 14.658 23.193 -20.302 1.00 0.00 C ATOM 1752 C TYR A 116 13.412 22.356 -20.621 1.00 0.00 C ATOM 1753 O TYR A 116 12.321 22.673 -20.145 1.00 0.00 O ATOM 1754 CB TYR A 116 15.115 23.992 -21.528 1.00 0.00 C ATOM 1755 CG TYR A 116 14.022 24.801 -22.199 1.00 0.00 C ATOM 1756 CD1 TYR A 116 13.539 25.976 -21.595 1.00 0.00 C ATOM 1757 CD2 TYR A 116 13.497 24.381 -23.437 1.00 0.00 C ATOM 1758 CE1 TYR A 116 12.532 26.732 -22.220 1.00 0.00 C ATOM 1759 CE2 TYR A 116 12.489 25.131 -24.068 1.00 0.00 C ATOM 1760 CZ TYR A 116 12.000 26.312 -23.462 1.00 0.00 C ATOM 1761 OH TYR A 116 11.022 27.030 -24.083 1.00 0.00 O ATOM 0 H TYR A 116 16.554 22.353 -20.508 1.00 0.00 H new ATOM 0 HA TYR A 116 14.367 23.870 -19.498 1.00 0.00 H new ATOM 0 HB2 TYR A 116 15.916 24.667 -21.227 1.00 0.00 H new ATOM 0 HB3 TYR A 116 15.538 23.302 -22.258 1.00 0.00 H new ATOM 0 HD1 TYR A 116 13.944 26.299 -20.647 1.00 0.00 H new ATOM 0 HD2 TYR A 116 13.870 23.481 -23.903 1.00 0.00 H new ATOM 0 HE1 TYR A 116 12.164 27.633 -21.752 1.00 0.00 H new ATOM 0 HE2 TYR A 116 12.088 24.805 -25.016 1.00 0.00 H new ATOM 0 HH TYR A 116 10.780 26.592 -24.926 1.00 0.00 H new ATOM 1771 N GLU A 117 13.563 21.287 -21.405 1.00 0.00 N ATOM 1772 CA GLU A 117 12.488 20.382 -21.801 1.00 0.00 C ATOM 1773 C GLU A 117 13.133 19.054 -22.207 1.00 0.00 C ATOM 1774 O GLU A 117 14.316 19.024 -22.561 1.00 0.00 O ATOM 1775 CB GLU A 117 11.673 21.007 -22.956 1.00 0.00 C ATOM 1776 CG GLU A 117 10.537 20.092 -23.443 1.00 0.00 C ATOM 1777 CD GLU A 117 9.496 20.812 -24.314 1.00 0.00 C ATOM 1778 OE1 GLU A 117 9.857 21.437 -25.338 1.00 0.00 O ATOM 1779 OE2 GLU A 117 8.291 20.714 -23.990 1.00 0.00 O ATOM 0 H GLU A 117 14.468 21.021 -21.793 1.00 0.00 H new ATOM 0 HA GLU A 117 11.791 20.208 -20.981 1.00 0.00 H new ATOM 0 HB2 GLU A 117 11.253 21.957 -22.626 1.00 0.00 H new ATOM 0 HB3 GLU A 117 12.340 21.226 -23.789 1.00 0.00 H new ATOM 0 HG2 GLU A 117 10.965 19.267 -24.012 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.036 19.657 -22.578 1.00 0.00 H new ATOM 1786 N VAL A 118 12.366 17.961 -22.172 1.00 0.00 N ATOM 1787 CA VAL A 118 12.846 16.629 -22.513 1.00 0.00 C ATOM 1788 C VAL A 118 11.808 15.852 -23.324 1.00 0.00 C ATOM 1789 O VAL A 118 10.645 16.257 -23.406 1.00 0.00 O ATOM 1790 CB VAL A 118 13.271 15.864 -21.242 1.00 0.00 C ATOM 1791 CG1 VAL A 118 14.475 16.538 -20.577 1.00 0.00 C ATOM 1792 CG2 VAL A 118 12.138 15.732 -20.214 1.00 0.00 C ATOM 0 H VAL A 118 11.383 17.982 -21.902 1.00 0.00 H new ATOM 0 HA VAL A 118 13.726 16.736 -23.147 1.00 0.00 H new ATOM 0 HB VAL A 118 13.539 14.861 -21.573 1.00 0.00 H new ATOM 0 HG11 VAL A 118 14.756 15.981 -19.683 1.00 0.00 H new ATOM 0 HG12 VAL A 118 15.313 16.554 -21.273 1.00 0.00 H new ATOM 0 HG13 VAL A 118 14.213 17.559 -20.300 1.00 0.00 H new ATOM 0 HG21 VAL A 118 12.499 15.185 -19.343 1.00 0.00 H new ATOM 0 HG22 VAL A 118 11.807 16.724 -19.908 1.00 0.00 H new ATOM 0 HG23 VAL A 118 11.302 15.193 -20.661 1.00 0.00 H new ATOM 1802 N THR A 119 12.233 14.727 -23.898 1.00 0.00 N ATOM 1803 CA THR A 119 11.419 13.841 -24.725 1.00 0.00 C ATOM 1804 C THR A 119 11.777 12.382 -24.409 1.00 0.00 C ATOM 1805 O THR A 119 12.734 12.115 -23.675 1.00 0.00 O ATOM 1806 CB THR A 119 11.630 14.186 -26.213 1.00 0.00 C ATOM 1807 OG1 THR A 119 13.008 14.353 -26.508 1.00 0.00 O ATOM 1808 CG2 THR A 119 10.894 15.462 -26.626 1.00 0.00 C ATOM 0 H THR A 119 13.192 14.396 -23.795 1.00 0.00 H new ATOM 0 HA THR A 119 10.360 13.978 -24.505 1.00 0.00 H new ATOM 0 HB THR A 119 11.222 13.346 -26.775 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.387 13.497 -26.798 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.075 15.661 -27.682 1.00 0.00 H new ATOM 0 HG22 THR A 119 9.824 15.335 -26.459 1.00 0.00 H new ATOM 0 HG23 THR A 119 11.258 16.300 -26.032 1.00 0.00 H new ATOM 1816 N TRP A 120 11.011 11.429 -24.941 1.00 0.00 N ATOM 1817 CA TRP A 120 11.249 10.005 -24.744 1.00 0.00 C ATOM 1818 C TRP A 120 10.938 9.239 -26.019 1.00 0.00 C ATOM 1819 O TRP A 120 10.364 9.794 -26.964 1.00 0.00 O ATOM 1820 CB TRP A 120 10.391 9.437 -23.598 1.00 0.00 C ATOM 1821 CG TRP A 120 8.905 9.397 -23.819 1.00 0.00 C ATOM 1822 CD1 TRP A 120 8.098 10.471 -23.945 1.00 0.00 C ATOM 1823 CD2 TRP A 120 8.022 8.238 -23.954 1.00 0.00 C ATOM 1824 NE1 TRP A 120 6.790 10.070 -24.108 1.00 0.00 N ATOM 1825 CE2 TRP A 120 6.683 8.699 -24.143 1.00 0.00 C ATOM 1826 CE3 TRP A 120 8.212 6.840 -23.942 1.00 0.00 C ATOM 1827 CZ2 TRP A 120 5.597 7.826 -24.304 1.00 0.00 C ATOM 1828 CZ3 TRP A 120 7.124 5.954 -24.057 1.00 0.00 C ATOM 1829 CH2 TRP A 120 5.820 6.440 -24.249 1.00 0.00 C ATOM 0 H TRP A 120 10.200 11.630 -25.526 1.00 0.00 H new ATOM 0 HA TRP A 120 12.300 9.886 -24.482 1.00 0.00 H new ATOM 0 HB2 TRP A 120 10.731 8.422 -23.390 1.00 0.00 H new ATOM 0 HB3 TRP A 120 10.585 10.028 -22.703 1.00 0.00 H new ATOM 0 HD1 TRP A 120 8.430 11.498 -23.921 1.00 0.00 H new ATOM 0 HE1 TRP A 120 6.000 10.710 -24.192 1.00 0.00 H new ATOM 0 HE3 TRP A 120 9.211 6.442 -23.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 4.603 8.214 -24.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 7.294 4.889 -23.997 1.00 0.00 H new ATOM 0 HH2 TRP A 120 4.994 5.752 -24.354 1.00 0.00 H new ATOM 1840 N ALA A 121 11.275 7.951 -26.017 1.00 0.00 N ATOM 1841 CA ALA A 121 10.869 7.007 -27.033 1.00 0.00 C ATOM 1842 C ALA A 121 10.662 5.656 -26.351 1.00 0.00 C ATOM 1843 O ALA A 121 11.380 5.309 -25.410 1.00 0.00 O ATOM 1844 CB ALA A 121 11.921 6.918 -28.147 1.00 0.00 C ATOM 0 H ALA A 121 11.852 7.534 -25.287 1.00 0.00 H new ATOM 0 HA ALA A 121 9.942 7.330 -27.506 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.594 6.201 -28.900 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.046 7.898 -28.608 1.00 0.00 H new ATOM 0 HB3 ALA A 121 12.871 6.592 -27.725 1.00 0.00 H new ATOM 1850 N ASN A 122 9.663 4.903 -26.811 1.00 0.00 N ATOM 1851 CA ASN A 122 9.252 3.624 -26.228 1.00 0.00 C ATOM 1852 C ASN A 122 10.108 2.462 -26.766 1.00 0.00 C ATOM 1853 O ASN A 122 9.606 1.363 -27.011 1.00 0.00 O ATOM 1854 CB ASN A 122 7.754 3.416 -26.509 1.00 0.00 C ATOM 1855 CG ASN A 122 7.168 2.252 -25.709 1.00 0.00 C ATOM 1856 OD1 ASN A 122 7.542 2.007 -24.564 1.00 0.00 O ATOM 1857 ND2 ASN A 122 6.223 1.520 -26.276 1.00 0.00 N ATOM 0 H ASN A 122 9.102 5.172 -27.620 1.00 0.00 H new ATOM 0 HA ASN A 122 9.411 3.643 -25.150 1.00 0.00 H new ATOM 0 HB2 ASN A 122 7.211 4.330 -26.267 1.00 0.00 H new ATOM 0 HB3 ASN A 122 7.609 3.232 -27.573 1.00 0.00 H new ATOM 0 HD21 ASN A 122 5.800 0.747 -25.763 1.00 0.00 H new ATOM 0 HD22 ASN A 122 5.917 1.729 -27.226 1.00 0.00 H new ATOM 1864 N ASP A 123 11.387 2.717 -27.051 1.00 0.00 N ATOM 1865 CA ASP A 123 12.305 1.798 -27.724 1.00 0.00 C ATOM 1866 C ASP A 123 13.742 2.156 -27.311 1.00 0.00 C ATOM 1867 O ASP A 123 13.931 2.993 -26.423 1.00 0.00 O ATOM 1868 CB ASP A 123 12.094 1.886 -29.250 1.00 0.00 C ATOM 1869 CG ASP A 123 12.549 0.603 -29.968 1.00 0.00 C ATOM 1870 OD1 ASP A 123 13.742 0.491 -30.326 1.00 0.00 O ATOM 1871 OD2 ASP A 123 11.712 -0.301 -30.181 1.00 0.00 O ATOM 0 H ASP A 123 11.828 3.604 -26.809 1.00 0.00 H new ATOM 0 HA ASP A 123 12.113 0.766 -27.431 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.040 2.065 -29.461 1.00 0.00 H new ATOM 0 HB3 ASP A 123 12.647 2.738 -29.644 1.00 0.00 H new ATOM 1876 N GLY A 124 14.751 1.550 -27.936 1.00 0.00 N ATOM 1877 CA GLY A 124 16.167 1.773 -27.679 1.00 0.00 C ATOM 1878 C GLY A 124 16.790 0.552 -27.009 1.00 0.00 C ATOM 1879 O GLY A 124 16.096 -0.212 -26.334 1.00 0.00 O ATOM 0 H GLY A 124 14.592 0.859 -28.669 1.00 0.00 H new ATOM 0 HA2 GLY A 124 16.683 1.984 -28.616 1.00 0.00 H new ATOM 0 HA3 GLY A 124 16.293 2.648 -27.042 1.00 0.00 H new ATOM 1883 N TYR A 125 18.105 0.390 -27.169 1.00 0.00 N ATOM 1884 CA TYR A 125 18.916 -0.674 -26.585 1.00 0.00 C ATOM 1885 C TYR A 125 20.315 -0.105 -26.358 1.00 0.00 C ATOM 1886 O TYR A 125 20.758 0.736 -27.172 1.00 0.00 O ATOM 1887 CB TYR A 125 18.991 -1.897 -27.516 1.00 0.00 C ATOM 1888 CG TYR A 125 17.671 -2.614 -27.743 1.00 0.00 C ATOM 1889 CD1 TYR A 125 17.213 -3.553 -26.800 1.00 0.00 C ATOM 1890 CD2 TYR A 125 16.896 -2.336 -28.887 1.00 0.00 C ATOM 1891 CE1 TYR A 125 15.980 -4.204 -26.983 1.00 0.00 C ATOM 1892 CE2 TYR A 125 15.662 -2.983 -29.078 1.00 0.00 C ATOM 1893 CZ TYR A 125 15.196 -3.917 -28.125 1.00 0.00 C ATOM 1894 OH TYR A 125 13.997 -4.535 -28.321 1.00 0.00 O ATOM 1895 OXT TYR A 125 20.964 -0.486 -25.364 1.00 0.00 O ATOM 0 H TYR A 125 18.658 1.031 -27.738 1.00 0.00 H new ATOM 0 HA TYR A 125 18.469 -1.009 -25.649 1.00 0.00 H new ATOM 0 HB2 TYR A 125 19.384 -1.576 -28.481 1.00 0.00 H new ATOM 0 HB3 TYR A 125 19.706 -2.607 -27.101 1.00 0.00 H new ATOM 0 HD1 TYR A 125 17.813 -3.775 -25.930 1.00 0.00 H new ATOM 0 HD2 TYR A 125 17.250 -1.625 -29.618 1.00 0.00 H new ATOM 0 HE1 TYR A 125 15.633 -4.921 -26.254 1.00 0.00 H new ATOM 0 HE2 TYR A 125 15.069 -2.766 -29.954 1.00 0.00 H new ATOM 0 HH TYR A 125 13.597 -4.215 -29.156 1.00 0.00 H new TER 1905 TYR A 125