USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 692 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 72 CYS SG : rot 142:sc= 0.537 USER MOD Set 1.2: A 75 CYS SG : rot -54:sc= -0.101 USER MOD Set 1.3: A 98 CYS SG : rot -137:sc= 0.465 USER MOD Set 1.4: A 101 CYS SG : rot 98:sc= -1.9 USER MOD Set 2.1: A 57 CYS SG : rot 34:sc= -0.647 USER MOD Set 2.2: A 59 ASN : amide:sc= -2.35 K(o=-7.6,f=-13!) USER MOD Set 2.3: A 60 CYS SG : rot -55:sc= -1.55! USER MOD Set 2.4: A 69 MET CE :methyl -152:sc= -0.184 (180deg=-0.296) USER MOD Set 2.5: A 80 HIS : no HE2:sc= -2.57 X(o=-7.6,f=-7.7) USER MOD Set 2.6: A 83 CYS SG : rot 36:sc= -0.256 USER MOD Set 3.1: A 25 CYS SG : rot 149:sc= 1.25 USER MOD Set 3.2: A 28 CYS SG : rot -61:sc= 0.0738 USER MOD Set 3.3: A 51 CYS SG : rot -143:sc= -0.404 USER MOD Set 3.4: A 54 CYS SG : rot 118:sc= -2.52 USER MOD Set 4.1: A 10 CYS SG : rot -166:sc= -0.744 USER MOD Set 4.2: A 13 CYS SG : rot -133:sc= -2.81 USER MOD Set 4.3: A 33 HIS : no HD1:sc= -0.441 X(o=-5.1,f=-5.1) USER MOD Set 4.4: A 36 CYS SG : rot 127:sc= -1.12 USER MOD Single : A 9 ASN : amide:sc= -0.0184 K(o=-0.018,f=-1.5!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -4.77 K(o=-4.8,f=-7.6!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.873 F(o=-2!,f=-0.87) USER MOD Single : A 31 HIS :FLIP no HE2:sc= -3.67 F(o=-4.2,f=-3.7) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -112:sc= -0.0606 (180deg=-1.41) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.607 USER MOD Single : A 45 LYS NZ :NH3+ 138:sc= 0.438 (180deg=-2.54!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 135:sc= -2.52 (180deg=-4.29!) USER MOD Single : A 58 GLN : amide:sc= -0.0341 X(o=-0.034,f=-0.47) USER MOD Single : A 61 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0208) USER MOD Single : A 62 GLN : amide:sc= -0.0513 K(o=-0.051,f=-0.98) USER MOD Single : A 63 SER OG : rot 9:sc= 0.404 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 24:sc= 0.0824 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 30:sc= -0.0618 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -100:sc= -0.074 (180deg=-2.51) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.8) USER MOD Single : A 97 LYS NZ :NH3+ -113:sc= -0.298 (180deg=-1.44) USER MOD Single : A 99 LYS NZ :NH3+ 171:sc=-0.00536 (180deg=-0.0914) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 -16.938 2.590 -0.670 1.00 0.00 N ATOM 67 CA ALA A 8 -15.886 3.315 0.031 1.00 0.00 C ATOM 68 C ALA A 8 -15.625 2.711 1.407 1.00 0.00 C ATOM 69 O ALA A 8 -15.176 3.399 2.322 1.00 0.00 O ATOM 70 CB ALA A 8 -16.254 4.786 0.159 1.00 0.00 C ATOM 0 HA ALA A 8 -14.970 3.230 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.459 5.315 0.685 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.382 5.217 -0.834 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -17.185 4.881 0.718 1.00 0.00 H new ATOM 76 N ASN A 9 -15.912 1.420 1.545 1.00 0.00 N ATOM 77 CA ASN A 9 -15.709 0.724 2.811 1.00 0.00 C ATOM 78 C ASN A 9 -14.404 -0.066 2.794 1.00 0.00 C ATOM 79 O ASN A 9 -13.706 -0.111 1.781 1.00 0.00 O ATOM 80 CB ASN A 9 -16.883 -0.215 3.094 1.00 0.00 C ATOM 81 CG ASN A 9 -18.099 0.523 3.621 1.00 0.00 C ATOM 82 OD1 ASN A 9 -18.071 1.741 3.800 1.00 0.00 O ATOM 83 ND2 ASN A 9 -19.175 -0.214 3.874 1.00 0.00 N ATOM 0 H ASN A 9 -16.285 0.836 0.797 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.651 1.471 3.603 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -17.150 -0.744 2.179 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -16.576 -0.968 3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -20.023 0.227 4.231 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.154 -1.221 3.711 1.00 0.00 H new ATOM 90 N CYS A 10 -14.081 -0.688 3.923 1.00 0.00 N ATOM 91 CA CYS A 10 -12.861 -1.477 4.040 1.00 0.00 C ATOM 92 C CYS A 10 -12.952 -2.747 3.199 1.00 0.00 C ATOM 93 O CYS A 10 -13.948 -3.467 3.250 1.00 0.00 O ATOM 94 CB CYS A 10 -12.601 -1.839 5.504 1.00 0.00 C ATOM 95 SG CYS A 10 -10.876 -2.305 5.859 1.00 0.00 S ATOM 0 H CYS A 10 -14.648 -0.661 4.770 1.00 0.00 H new ATOM 0 HA CYS A 10 -12.032 -0.875 3.669 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.873 -0.990 6.131 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.254 -2.665 5.785 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.812 -2.879 7.024 1.00 0.00 H new ATOM 100 N ALA A 11 -11.904 -3.015 2.426 1.00 0.00 N ATOM 101 CA ALA A 11 -11.864 -4.198 1.577 1.00 0.00 C ATOM 102 C ALA A 11 -11.327 -5.404 2.340 1.00 0.00 C ATOM 103 O ALA A 11 -11.109 -6.470 1.763 1.00 0.00 O ATOM 104 CB ALA A 11 -11.016 -3.933 0.341 1.00 0.00 C ATOM 0 H ALA A 11 -11.072 -2.428 2.371 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.883 -4.424 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.995 -4.826 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.444 -3.105 -0.223 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.000 -3.679 0.644 1.00 0.00 H new ATOM 110 N VAL A 12 -11.116 -5.230 3.640 1.00 0.00 N ATOM 111 CA VAL A 12 -10.605 -6.304 4.483 1.00 0.00 C ATOM 112 C VAL A 12 -11.651 -6.753 5.497 1.00 0.00 C ATOM 113 O VAL A 12 -11.848 -7.949 5.715 1.00 0.00 O ATOM 114 CB VAL A 12 -9.331 -5.872 5.233 1.00 0.00 C ATOM 115 CG1 VAL A 12 -8.915 -6.936 6.237 1.00 0.00 C ATOM 116 CG2 VAL A 12 -8.206 -5.584 4.251 1.00 0.00 C ATOM 0 H VAL A 12 -11.291 -4.354 4.133 1.00 0.00 H new ATOM 0 HA VAL A 12 -10.364 -7.136 3.822 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.547 -4.955 5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.013 -6.613 6.757 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.716 -7.087 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.717 -7.872 5.714 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.314 -5.280 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.989 -6.482 3.673 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.508 -4.783 3.576 1.00 0.00 H new ATOM 126 N CYS A 13 -12.322 -5.786 6.114 1.00 0.00 N ATOM 127 CA CYS A 13 -13.350 -6.080 7.105 1.00 0.00 C ATOM 128 C CYS A 13 -14.738 -5.754 6.563 1.00 0.00 C ATOM 129 O CYS A 13 -15.732 -6.353 6.973 1.00 0.00 O ATOM 130 CB CYS A 13 -13.092 -5.287 8.388 1.00 0.00 C ATOM 131 SG CYS A 13 -13.389 -3.497 8.227 1.00 0.00 S ATOM 0 H CYS A 13 -12.172 -4.791 5.945 1.00 0.00 H new ATOM 0 HA CYS A 13 -13.309 -7.146 7.330 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.729 -5.680 9.180 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -12.060 -5.447 8.700 1.00 0.00 H new ATOM 0 HG CYS A 13 -12.391 -2.843 8.743 1.00 0.00 H new ATOM 136 N ASP A 14 -14.797 -4.802 5.638 1.00 0.00 N ATOM 137 CA ASP A 14 -16.063 -4.396 5.038 1.00 0.00 C ATOM 138 C ASP A 14 -16.903 -3.596 6.029 1.00 0.00 C ATOM 139 O ASP A 14 -18.096 -3.850 6.194 1.00 0.00 O ATOM 140 CB ASP A 14 -16.843 -5.623 4.564 1.00 0.00 C ATOM 141 CG ASP A 14 -17.932 -5.269 3.570 1.00 0.00 C ATOM 142 OD1 ASP A 14 -17.623 -5.165 2.365 1.00 0.00 O ATOM 143 OD2 ASP A 14 -19.092 -5.095 3.998 1.00 0.00 O ATOM 0 H ASP A 14 -13.983 -4.297 5.287 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.843 -3.761 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -16.154 -6.333 4.106 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.289 -6.121 5.425 1.00 0.00 H new ATOM 148 N SER A 15 -16.271 -2.629 6.686 1.00 0.00 N ATOM 149 CA SER A 15 -16.959 -1.794 7.664 1.00 0.00 C ATOM 150 C SER A 15 -16.556 -0.331 7.508 1.00 0.00 C ATOM 151 O SER A 15 -15.397 -0.003 7.253 1.00 0.00 O ATOM 152 CB SER A 15 -16.647 -2.272 9.083 1.00 0.00 C ATOM 153 OG SER A 15 -17.329 -3.479 9.376 1.00 0.00 O ATOM 0 H SER A 15 -15.284 -2.404 6.559 1.00 0.00 H new ATOM 0 HA SER A 15 -18.031 -1.878 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.573 -2.422 9.192 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.936 -1.504 9.801 1.00 0.00 H new ATOM 0 HG SER A 15 -17.112 -3.764 10.288 1.00 0.00 H new ATOM 159 N PRO A 16 -17.536 0.572 7.666 1.00 0.00 N ATOM 160 CA PRO A 16 -17.309 2.015 7.548 1.00 0.00 C ATOM 161 C PRO A 16 -16.480 2.568 8.703 1.00 0.00 C ATOM 162 O PRO A 16 -15.486 3.261 8.490 1.00 0.00 O ATOM 163 CB PRO A 16 -18.723 2.600 7.576 1.00 0.00 C ATOM 164 CG PRO A 16 -19.535 1.591 8.312 1.00 0.00 C ATOM 165 CD PRO A 16 -18.940 0.253 7.972 1.00 0.00 C ATOM 0 HA PRO A 16 -16.747 2.267 6.649 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.742 3.567 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -19.106 2.758 6.568 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -19.501 1.771 9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -20.582 1.640 8.013 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -19.021 -0.446 8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -19.443 -0.206 7.121 1.00 0.00 H new ATOM 173 N GLY A 17 -16.897 2.257 9.927 1.00 0.00 N ATOM 174 CA GLY A 17 -16.182 2.731 11.097 1.00 0.00 C ATOM 175 C GLY A 17 -15.618 4.125 10.907 1.00 0.00 C ATOM 176 O GLY A 17 -16.368 5.087 10.741 1.00 0.00 O ATOM 0 H GLY A 17 -17.717 1.685 10.129 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -16.854 2.728 11.955 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -15.369 2.042 11.326 1.00 0.00 H new ATOM 180 N ASP A 18 -14.295 4.235 10.933 1.00 0.00 N ATOM 181 CA ASP A 18 -13.631 5.523 10.762 1.00 0.00 C ATOM 182 C ASP A 18 -12.910 5.589 9.420 1.00 0.00 C ATOM 183 O ASP A 18 -12.132 4.697 9.076 1.00 0.00 O ATOM 184 CB ASP A 18 -12.639 5.763 11.901 1.00 0.00 C ATOM 185 CG ASP A 18 -13.276 6.464 13.085 1.00 0.00 C ATOM 186 OD1 ASP A 18 -13.556 7.676 12.977 1.00 0.00 O ATOM 187 OD2 ASP A 18 -13.493 5.801 14.121 1.00 0.00 O ATOM 0 H ASP A 18 -13.660 3.448 11.071 1.00 0.00 H new ATOM 0 HA ASP A 18 -14.392 6.303 10.783 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.226 4.808 12.227 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.806 6.362 11.533 1.00 0.00 H new ATOM 192 N LEU A 19 -13.173 6.649 8.665 1.00 0.00 N ATOM 193 CA LEU A 19 -12.549 6.832 7.359 1.00 0.00 C ATOM 194 C LEU A 19 -11.295 7.692 7.469 1.00 0.00 C ATOM 195 O LEU A 19 -10.283 7.419 6.823 1.00 0.00 O ATOM 196 CB LEU A 19 -13.539 7.475 6.385 1.00 0.00 C ATOM 197 CG LEU A 19 -14.527 6.526 5.707 1.00 0.00 C ATOM 198 CD1 LEU A 19 -15.461 5.904 6.734 1.00 0.00 C ATOM 199 CD2 LEU A 19 -15.321 7.258 4.635 1.00 0.00 C ATOM 0 H LEU A 19 -13.814 7.395 8.934 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.261 5.851 6.981 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.107 8.234 6.924 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.972 7.991 5.610 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.962 5.726 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -16.157 5.232 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.877 5.344 7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.019 6.691 7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -16.019 6.566 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.875 8.079 5.090 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.638 7.654 3.883 1.00 0.00 H new ATOM 211 N LEU A 20 -11.367 8.731 8.294 1.00 0.00 N ATOM 212 CA LEU A 20 -10.237 9.631 8.492 1.00 0.00 C ATOM 213 C LEU A 20 -9.062 8.897 9.130 1.00 0.00 C ATOM 214 O LEU A 20 -7.908 9.110 8.757 1.00 0.00 O ATOM 215 CB LEU A 20 -10.649 10.816 9.368 1.00 0.00 C ATOM 216 CG LEU A 20 -11.665 11.781 8.756 1.00 0.00 C ATOM 217 CD1 LEU A 20 -12.437 12.506 9.847 1.00 0.00 C ATOM 218 CD2 LEU A 20 -10.968 12.778 7.841 1.00 0.00 C ATOM 0 H LEU A 20 -12.197 8.971 8.837 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.924 10.001 7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.062 10.428 10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.753 11.380 9.627 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.373 11.204 8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.155 13.188 9.392 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.967 11.779 10.462 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.743 13.071 10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.706 13.457 7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.238 13.349 8.414 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.461 12.242 7.039 1.00 0.00 H new ATOM 230 N ASP A 21 -9.364 8.032 10.092 1.00 0.00 N ATOM 231 CA ASP A 21 -8.333 7.263 10.780 1.00 0.00 C ATOM 232 C ASP A 21 -7.648 6.293 9.823 1.00 0.00 C ATOM 233 O ASP A 21 -6.422 6.190 9.800 1.00 0.00 O ATOM 234 CB ASP A 21 -8.939 6.497 11.957 1.00 0.00 C ATOM 235 CG ASP A 21 -9.331 7.409 13.102 1.00 0.00 C ATOM 236 OD1 ASP A 21 -8.459 8.158 13.590 1.00 0.00 O ATOM 237 OD2 ASP A 21 -10.511 7.374 13.510 1.00 0.00 O ATOM 0 H ASP A 21 -10.314 7.846 10.413 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.585 7.960 11.157 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.817 5.949 11.616 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.221 5.759 12.314 1.00 0.00 H new ATOM 242 N GLN A 22 -8.450 5.583 9.035 1.00 0.00 N ATOM 243 CA GLN A 22 -7.920 4.620 8.077 1.00 0.00 C ATOM 244 C GLN A 22 -7.397 5.324 6.829 1.00 0.00 C ATOM 245 O GLN A 22 -7.925 6.359 6.420 1.00 0.00 O ATOM 246 CB GLN A 22 -9.000 3.607 7.691 1.00 0.00 C ATOM 247 CG GLN A 22 -10.078 4.182 6.786 1.00 0.00 C ATOM 248 CD GLN A 22 -11.264 3.251 6.628 1.00 0.00 C ATOM 249 OE1 GLN A 22 -12.402 3.623 6.915 1.00 0.00 O ATOM 250 NE2 GLN A 22 -11.004 2.033 6.168 1.00 0.00 N ATOM 0 H GLN A 22 -9.467 5.657 9.041 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.090 4.094 8.549 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.530 2.761 7.190 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.466 3.222 8.598 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -10.420 5.134 7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -9.651 4.390 5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -10.045 1.767 5.943 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -11.763 1.363 6.040 1.00 0.00 H new ATOM 259 N PHE A 23 -6.357 4.757 6.228 1.00 0.00 N ATOM 260 CA PHE A 23 -5.762 5.331 5.027 1.00 0.00 C ATOM 261 C PHE A 23 -6.732 5.260 3.851 1.00 0.00 C ATOM 262 O PHE A 23 -7.675 4.469 3.857 1.00 0.00 O ATOM 263 CB PHE A 23 -4.464 4.600 4.676 1.00 0.00 C ATOM 264 CG PHE A 23 -3.411 4.704 5.742 1.00 0.00 C ATOM 265 CD1 PHE A 23 -3.388 3.812 6.801 1.00 0.00 C ATOM 266 CD2 PHE A 23 -2.442 5.693 5.683 1.00 0.00 C ATOM 267 CE1 PHE A 23 -2.421 3.906 7.784 1.00 0.00 C ATOM 268 CE2 PHE A 23 -1.472 5.792 6.663 1.00 0.00 C ATOM 269 CZ PHE A 23 -1.461 4.896 7.714 1.00 0.00 C ATOM 0 H PHE A 23 -5.909 3.900 6.553 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.539 6.379 5.228 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -4.686 3.548 4.497 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.068 5.005 3.745 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.134 3.034 6.859 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.445 6.395 4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.416 3.206 8.606 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.724 6.569 6.607 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.703 4.970 8.480 1.00 0.00 H new ATOM 279 N PHE A 24 -6.494 6.094 2.844 1.00 0.00 N ATOM 280 CA PHE A 24 -7.347 6.128 1.662 1.00 0.00 C ATOM 281 C PHE A 24 -6.509 6.202 0.389 1.00 0.00 C ATOM 282 O PHE A 24 -5.742 7.144 0.190 1.00 0.00 O ATOM 283 CB PHE A 24 -8.300 7.324 1.729 1.00 0.00 C ATOM 284 CG PHE A 24 -9.040 7.573 0.446 1.00 0.00 C ATOM 285 CD1 PHE A 24 -10.139 6.802 0.104 1.00 0.00 C ATOM 286 CD2 PHE A 24 -8.636 8.578 -0.418 1.00 0.00 C ATOM 287 CE1 PHE A 24 -10.822 7.028 -1.076 1.00 0.00 C ATOM 288 CE2 PHE A 24 -9.316 8.810 -1.599 1.00 0.00 C ATOM 289 CZ PHE A 24 -10.410 8.033 -1.929 1.00 0.00 C ATOM 0 H PHE A 24 -5.718 6.755 2.823 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.931 5.208 1.639 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.022 7.159 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.732 8.217 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -10.466 6.015 0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.780 9.187 -0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -11.677 6.419 -1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.993 9.598 -2.263 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.942 8.211 -2.852 1.00 0.00 H new ATOM 299 N CYS A 25 -6.661 5.200 -0.471 1.00 0.00 N ATOM 300 CA CYS A 25 -5.919 5.148 -1.725 1.00 0.00 C ATOM 301 C CYS A 25 -6.352 6.274 -2.659 1.00 0.00 C ATOM 302 O CYS A 25 -7.460 6.799 -2.547 1.00 0.00 O ATOM 303 CB CYS A 25 -6.126 3.795 -2.408 1.00 0.00 C ATOM 304 SG CYS A 25 -4.918 3.435 -3.724 1.00 0.00 S ATOM 0 H CYS A 25 -7.292 4.413 -0.322 1.00 0.00 H new ATOM 0 HA CYS A 25 -4.860 5.274 -1.498 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.073 3.008 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.130 3.764 -2.832 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.711 2.153 -3.784 1.00 0.00 H new ATOM 309 N THR A 26 -5.469 6.641 -3.583 1.00 0.00 N ATOM 310 CA THR A 26 -5.758 7.704 -4.537 1.00 0.00 C ATOM 311 C THR A 26 -6.019 7.139 -5.929 1.00 0.00 C ATOM 312 O THR A 26 -6.789 7.705 -6.706 1.00 0.00 O ATOM 313 CB THR A 26 -4.601 8.718 -4.616 1.00 0.00 C ATOM 314 OG1 THR A 26 -3.378 8.041 -4.928 1.00 0.00 O ATOM 315 CG2 THR A 26 -4.449 9.470 -3.303 1.00 0.00 C ATOM 0 H THR A 26 -4.547 6.217 -3.690 1.00 0.00 H new ATOM 0 HA THR A 26 -6.654 8.213 -4.181 1.00 0.00 H new ATOM 0 HB THR A 26 -4.830 9.437 -5.403 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.647 8.692 -4.978 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.626 10.180 -3.384 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.371 10.007 -3.083 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.241 8.762 -2.500 1.00 0.00 H new ATOM 323 N THR A 27 -5.374 6.018 -6.238 1.00 0.00 N ATOM 324 CA THR A 27 -5.537 5.376 -7.536 1.00 0.00 C ATOM 325 C THR A 27 -6.914 4.735 -7.664 1.00 0.00 C ATOM 326 O THR A 27 -7.715 5.125 -8.513 1.00 0.00 O ATOM 327 CB THR A 27 -4.459 4.301 -7.770 1.00 0.00 C ATOM 328 OG1 THR A 27 -3.155 4.871 -7.607 1.00 0.00 O ATOM 329 CG2 THR A 27 -4.585 3.702 -9.163 1.00 0.00 C ATOM 0 H THR A 27 -4.734 5.536 -5.607 1.00 0.00 H new ATOM 0 HA THR A 27 -5.431 6.156 -8.290 1.00 0.00 H new ATOM 0 HB THR A 27 -4.603 3.508 -7.036 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.475 4.181 -7.756 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.813 2.945 -9.305 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.568 3.243 -9.274 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.465 4.487 -9.909 1.00 0.00 H new ATOM 337 N CYS A 28 -7.183 3.749 -6.814 1.00 0.00 N ATOM 338 CA CYS A 28 -8.464 3.053 -6.831 1.00 0.00 C ATOM 339 C CYS A 28 -9.494 3.787 -5.977 1.00 0.00 C ATOM 340 O CYS A 28 -10.656 3.915 -6.360 1.00 0.00 O ATOM 341 CB CYS A 28 -8.296 1.619 -6.326 1.00 0.00 C ATOM 342 SG CYS A 28 -7.910 1.497 -4.550 1.00 0.00 S ATOM 0 H CYS A 28 -6.531 3.414 -6.105 1.00 0.00 H new ATOM 0 HA CYS A 28 -8.822 3.029 -7.860 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -9.213 1.065 -6.527 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.501 1.136 -6.894 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.787 2.105 -4.307 1.00 0.00 H new ATOM 347 N GLY A 29 -9.057 4.268 -4.817 1.00 0.00 N ATOM 348 CA GLY A 29 -9.953 4.984 -3.926 1.00 0.00 C ATOM 349 C GLY A 29 -10.582 4.078 -2.887 1.00 0.00 C ATOM 350 O GLY A 29 -11.760 4.223 -2.560 1.00 0.00 O ATOM 0 H GLY A 29 -8.099 4.175 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.402 5.780 -3.424 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.739 5.461 -4.512 1.00 0.00 H new ATOM 354 N GLN A 30 -9.796 3.140 -2.367 1.00 0.00 N ATOM 355 CA GLN A 30 -10.286 2.206 -1.361 1.00 0.00 C ATOM 356 C GLN A 30 -9.916 2.674 0.043 1.00 0.00 C ATOM 357 O GLN A 30 -9.238 3.689 0.211 1.00 0.00 O ATOM 358 CB GLN A 30 -9.716 0.808 -1.611 1.00 0.00 C ATOM 359 CG GLN A 30 -10.513 -0.002 -2.620 1.00 0.00 C ATOM 360 CD GLN A 30 -11.909 -0.332 -2.132 1.00 0.00 C ATOM 361 OE1 GLN A 30 -11.993 -1.027 -1.003 1.00 0.00 O flip ATOM 362 NE2 GLN A 30 -12.902 0.035 -2.761 1.00 0.00 N flip ATOM 0 H GLN A 30 -8.818 3.007 -2.626 1.00 0.00 H new ATOM 0 HA GLN A 30 -11.373 2.167 -1.437 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.688 0.901 -1.963 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.682 0.264 -0.667 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -10.581 0.555 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -9.981 -0.928 -2.839 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -12.791 0.567 -3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -13.835 -0.193 -2.419 1.00 0.00 H new ATOM 371 N HIS A 31 -10.366 1.930 1.048 1.00 0.00 N ATOM 372 CA HIS A 31 -10.082 2.270 2.438 1.00 0.00 C ATOM 373 C HIS A 31 -9.633 1.038 3.217 1.00 0.00 C ATOM 374 O HIS A 31 -10.116 -0.070 2.980 1.00 0.00 O ATOM 375 CB HIS A 31 -11.318 2.883 3.097 1.00 0.00 C ATOM 376 CG HIS A 31 -11.889 4.042 2.339 1.00 0.00 C ATOM 377 ND1 HIS A 31 -12.386 4.119 1.083 1.00 0.00 N flip ATOM 378 CD2 HIS A 31 -11.994 5.310 2.870 1.00 0.00 C flip ATOM 379 CE1 HIS A 31 -12.780 5.419 0.880 1.00 0.00 C flip ATOM 380 NE2 HIS A 31 -12.533 6.117 1.974 1.00 0.00 N flip ATOM 0 H HIS A 31 -10.929 1.088 0.926 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.273 3.000 2.451 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -12.084 2.114 3.200 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.058 3.211 4.104 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -12.455 3.354 0.412 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.684 5.598 3.864 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.220 5.807 -0.027 1.00 0.00 H new ATOM 389 N TYR A 32 -8.706 1.238 4.147 1.00 0.00 N ATOM 390 CA TYR A 32 -8.190 0.143 4.960 1.00 0.00 C ATOM 391 C TYR A 32 -7.754 0.642 6.334 1.00 0.00 C ATOM 392 O TYR A 32 -6.891 1.514 6.445 1.00 0.00 O ATOM 393 CB TYR A 32 -7.013 -0.533 4.253 1.00 0.00 C ATOM 394 CG TYR A 32 -7.347 -1.036 2.867 1.00 0.00 C ATOM 395 CD1 TYR A 32 -7.335 -0.179 1.774 1.00 0.00 C ATOM 396 CD2 TYR A 32 -7.674 -2.369 2.651 1.00 0.00 C ATOM 397 CE1 TYR A 32 -7.641 -0.634 0.506 1.00 0.00 C ATOM 398 CE2 TYR A 32 -7.979 -2.834 1.386 1.00 0.00 C ATOM 399 CZ TYR A 32 -7.962 -1.962 0.317 1.00 0.00 C ATOM 400 OH TYR A 32 -8.265 -2.420 -0.945 1.00 0.00 O ATOM 0 H TYR A 32 -8.296 2.148 4.357 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.991 -0.584 5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -6.187 0.174 4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.667 -1.369 4.860 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -7.082 0.861 1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.690 -3.054 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -7.629 0.046 -0.333 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -8.229 -3.874 1.235 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.467 -3.378 -0.905 1.00 0.00 H new ATOM 410 N HIS A 33 -8.356 0.083 7.378 1.00 0.00 N ATOM 411 CA HIS A 33 -8.030 0.469 8.746 1.00 0.00 C ATOM 412 C HIS A 33 -6.612 0.040 9.109 1.00 0.00 C ATOM 413 O HIS A 33 -6.162 -1.039 8.726 1.00 0.00 O ATOM 414 CB HIS A 33 -9.028 -0.149 9.725 1.00 0.00 C ATOM 415 CG HIS A 33 -10.455 0.189 9.419 1.00 0.00 C ATOM 416 ND1 HIS A 33 -11.367 -0.740 8.962 1.00 0.00 N ATOM 417 CD2 HIS A 33 -11.126 1.361 9.508 1.00 0.00 C ATOM 418 CE1 HIS A 33 -12.537 -0.153 8.782 1.00 0.00 C ATOM 419 NE2 HIS A 33 -12.417 1.122 9.106 1.00 0.00 N ATOM 0 H HIS A 33 -9.073 -0.639 7.303 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.091 1.555 8.814 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -8.910 -1.233 9.716 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.791 0.189 10.734 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.721 2.308 9.834 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.438 -0.634 8.430 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.163 1.817 9.064 1.00 0.00 H new ATOM 427 N GLY A 34 -5.911 0.893 9.849 1.00 0.00 N ATOM 428 CA GLY A 34 -4.551 0.584 10.250 1.00 0.00 C ATOM 429 C GLY A 34 -4.421 -0.806 10.839 1.00 0.00 C ATOM 430 O GLY A 34 -3.409 -1.478 10.644 1.00 0.00 O ATOM 0 H GLY A 34 -6.261 1.793 10.178 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.892 0.672 9.386 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.216 1.318 10.983 1.00 0.00 H new ATOM 434 N MET A 35 -5.448 -1.239 11.563 1.00 0.00 N ATOM 435 CA MET A 35 -5.444 -2.559 12.182 1.00 0.00 C ATOM 436 C MET A 35 -5.685 -3.648 11.142 1.00 0.00 C ATOM 437 O MET A 35 -4.940 -4.626 11.069 1.00 0.00 O ATOM 438 CB MET A 35 -6.512 -2.636 13.275 1.00 0.00 C ATOM 439 CG MET A 35 -6.012 -2.207 14.645 1.00 0.00 C ATOM 440 SD MET A 35 -5.909 -0.415 14.817 1.00 0.00 S ATOM 441 CE MET A 35 -4.193 -0.132 14.390 1.00 0.00 C ATOM 0 H MET A 35 -6.293 -0.695 11.735 1.00 0.00 H new ATOM 0 HA MET A 35 -4.463 -2.720 12.630 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.356 -2.007 12.992 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.884 -3.659 13.337 1.00 0.00 H new ATOM 0 HG2 MET A 35 -6.678 -2.604 15.411 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.028 -2.642 14.821 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.648 0.201 15.273 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.753 -1.058 14.020 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.132 0.633 13.616 1.00 0.00 H new ATOM 451 N CYS A 36 -6.730 -3.474 10.340 1.00 0.00 N ATOM 452 CA CYS A 36 -7.069 -4.442 9.304 1.00 0.00 C ATOM 453 C CYS A 36 -5.849 -4.779 8.453 1.00 0.00 C ATOM 454 O CYS A 36 -5.696 -5.908 7.986 1.00 0.00 O ATOM 455 CB CYS A 36 -8.190 -3.898 8.416 1.00 0.00 C ATOM 456 SG CYS A 36 -9.861 -4.118 9.107 1.00 0.00 S ATOM 0 H CYS A 36 -7.357 -2.671 10.388 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.411 -5.354 9.793 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.018 -2.836 8.242 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.142 -4.392 7.446 1.00 0.00 H new ATOM 0 HG CYS A 36 -10.477 -2.974 9.125 1.00 0.00 H new ATOM 461 N LEU A 37 -4.981 -3.792 8.256 1.00 0.00 N ATOM 462 CA LEU A 37 -3.773 -3.983 7.461 1.00 0.00 C ATOM 463 C LEU A 37 -2.571 -4.265 8.357 1.00 0.00 C ATOM 464 O LEU A 37 -1.577 -4.842 7.916 1.00 0.00 O ATOM 465 CB LEU A 37 -3.503 -2.746 6.602 1.00 0.00 C ATOM 466 CG LEU A 37 -4.097 -2.766 5.193 1.00 0.00 C ATOM 467 CD1 LEU A 37 -3.768 -1.476 4.457 1.00 0.00 C ATOM 468 CD2 LEU A 37 -3.587 -3.970 4.416 1.00 0.00 C ATOM 0 H LEU A 37 -5.091 -2.852 8.636 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.928 -4.843 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.891 -1.872 7.126 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.424 -2.615 6.518 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.181 -2.846 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.199 -1.508 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.183 -0.629 5.004 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.686 -1.365 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.020 -3.968 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.501 -3.921 4.341 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.874 -4.885 4.934 1.00 0.00 H new ATOM 480 N ASP A 38 -2.670 -3.856 9.617 1.00 0.00 N ATOM 481 CA ASP A 38 -1.593 -4.068 10.577 1.00 0.00 C ATOM 482 C ASP A 38 -0.424 -3.129 10.297 1.00 0.00 C ATOM 483 O ASP A 38 0.738 -3.536 10.347 1.00 0.00 O ATOM 484 CB ASP A 38 -1.118 -5.522 10.530 1.00 0.00 C ATOM 485 CG ASP A 38 -2.257 -6.495 10.299 1.00 0.00 C ATOM 486 OD1 ASP A 38 -2.869 -6.940 11.293 1.00 0.00 O ATOM 487 OD2 ASP A 38 -2.536 -6.813 9.124 1.00 0.00 O ATOM 0 H ASP A 38 -3.485 -3.376 9.998 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.979 -3.852 11.573 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.381 -5.635 9.735 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.618 -5.768 11.467 1.00 0.00 H new ATOM 492 N ILE A 39 -0.738 -1.873 10.002 1.00 0.00 N ATOM 493 CA ILE A 39 0.286 -0.876 9.714 1.00 0.00 C ATOM 494 C ILE A 39 0.327 0.198 10.796 1.00 0.00 C ATOM 495 O ILE A 39 -0.711 0.638 11.288 1.00 0.00 O ATOM 496 CB ILE A 39 0.051 -0.205 8.348 1.00 0.00 C ATOM 497 CG1 ILE A 39 -0.080 -1.263 7.251 1.00 0.00 C ATOM 498 CG2 ILE A 39 1.184 0.759 8.030 1.00 0.00 C ATOM 499 CD1 ILE A 39 -0.569 -0.708 5.931 1.00 0.00 C ATOM 0 H ILE A 39 -1.694 -1.521 9.956 1.00 0.00 H new ATOM 0 HA ILE A 39 1.241 -1.402 9.691 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.880 0.361 8.393 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.889 -1.739 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -0.768 -2.039 7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.004 1.225 7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.234 1.529 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.128 0.214 8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.638 -1.514 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.552 -0.257 6.068 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.130 0.048 5.573 1.00 0.00 H new ATOM 511 N ALA A 40 1.535 0.617 11.160 1.00 0.00 N ATOM 512 CA ALA A 40 1.712 1.642 12.180 1.00 0.00 C ATOM 513 C ALA A 40 1.410 3.029 11.623 1.00 0.00 C ATOM 514 O ALA A 40 2.220 3.607 10.897 1.00 0.00 O ATOM 515 CB ALA A 40 3.126 1.592 12.740 1.00 0.00 C ATOM 0 H ALA A 40 2.405 0.262 10.763 1.00 0.00 H new ATOM 0 HA ALA A 40 1.007 1.442 12.987 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.243 2.364 13.501 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.307 0.613 13.185 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.842 1.763 11.936 1.00 0.00 H new ATOM 521 N VAL A 41 0.240 3.558 11.966 1.00 0.00 N ATOM 522 CA VAL A 41 -0.168 4.878 11.500 1.00 0.00 C ATOM 523 C VAL A 41 0.871 5.934 11.862 1.00 0.00 C ATOM 524 O VAL A 41 1.285 6.044 13.016 1.00 0.00 O ATOM 525 CB VAL A 41 -1.529 5.287 12.095 1.00 0.00 C ATOM 526 CG1 VAL A 41 -1.916 6.684 11.632 1.00 0.00 C ATOM 527 CG2 VAL A 41 -2.600 4.276 11.718 1.00 0.00 C ATOM 0 H VAL A 41 -0.442 3.093 12.565 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.257 4.817 10.415 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.442 5.301 13.181 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.880 6.956 12.062 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.159 7.398 11.957 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.986 6.700 10.544 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.555 4.581 12.147 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.688 4.227 10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.326 3.294 12.104 1.00 0.00 H new ATOM 537 N THR A 42 1.288 6.711 10.867 1.00 0.00 N ATOM 538 CA THR A 42 2.279 7.758 11.079 1.00 0.00 C ATOM 539 C THR A 42 1.933 9.011 10.282 1.00 0.00 C ATOM 540 O THR A 42 1.307 8.950 9.224 1.00 0.00 O ATOM 541 CB THR A 42 3.690 7.285 10.683 1.00 0.00 C ATOM 542 OG1 THR A 42 4.499 8.408 10.317 1.00 0.00 O ATOM 543 CG2 THR A 42 3.626 6.300 9.526 1.00 0.00 C ATOM 0 H THR A 42 0.954 6.635 9.906 1.00 0.00 H new ATOM 0 HA THR A 42 2.268 7.993 12.143 1.00 0.00 H new ATOM 0 HB THR A 42 4.135 6.783 11.542 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.395 8.099 10.068 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.635 5.980 9.264 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.035 5.432 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.163 6.781 8.664 1.00 0.00 H new ATOM 551 N PRO A 43 2.351 10.176 10.799 1.00 0.00 N ATOM 552 CA PRO A 43 2.098 11.466 10.150 1.00 0.00 C ATOM 553 C PRO A 43 2.901 11.636 8.865 1.00 0.00 C ATOM 554 O PRO A 43 2.826 12.674 8.206 1.00 0.00 O ATOM 555 CB PRO A 43 2.548 12.485 11.200 1.00 0.00 C ATOM 556 CG PRO A 43 3.551 11.759 12.028 1.00 0.00 C ATOM 557 CD PRO A 43 3.103 10.324 12.056 1.00 0.00 C ATOM 0 HA PRO A 43 1.056 11.574 9.850 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.985 13.368 10.733 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.708 12.827 11.805 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.549 11.848 11.599 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.599 12.173 13.035 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.950 9.640 12.100 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.479 10.115 12.925 1.00 0.00 H new ATOM 565 N LEU A 44 3.670 10.611 8.513 1.00 0.00 N ATOM 566 CA LEU A 44 4.487 10.647 7.305 1.00 0.00 C ATOM 567 C LEU A 44 3.840 9.837 6.186 1.00 0.00 C ATOM 568 O LEU A 44 3.768 10.286 5.042 1.00 0.00 O ATOM 569 CB LEU A 44 5.888 10.106 7.598 1.00 0.00 C ATOM 570 CG LEU A 44 6.764 9.818 6.378 1.00 0.00 C ATOM 571 CD1 LEU A 44 7.335 11.109 5.813 1.00 0.00 C ATOM 572 CD2 LEU A 44 7.883 8.852 6.741 1.00 0.00 C ATOM 0 H LEU A 44 3.745 9.745 9.047 1.00 0.00 H new ATOM 0 HA LEU A 44 4.565 11.684 6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.408 10.824 8.232 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.788 9.186 8.174 1.00 0.00 H new ATOM 0 HG LEU A 44 6.144 9.353 5.611 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.955 10.884 4.946 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.519 11.768 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 44 7.940 11.603 6.573 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.496 8.658 5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.501 9.289 7.525 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.454 7.916 7.097 1.00 0.00 H new ATOM 584 N LYS A 45 3.369 8.642 6.524 1.00 0.00 N ATOM 585 CA LYS A 45 2.725 7.769 5.549 1.00 0.00 C ATOM 586 C LYS A 45 1.373 8.334 5.123 1.00 0.00 C ATOM 587 O LYS A 45 1.101 8.487 3.933 1.00 0.00 O ATOM 588 CB LYS A 45 2.542 6.366 6.132 1.00 0.00 C ATOM 589 CG LYS A 45 2.430 5.279 5.077 1.00 0.00 C ATOM 590 CD LYS A 45 1.867 3.993 5.659 1.00 0.00 C ATOM 591 CE LYS A 45 2.935 3.203 6.401 1.00 0.00 C ATOM 592 NZ LYS A 45 3.169 3.738 7.771 1.00 0.00 N ATOM 0 H LYS A 45 3.421 8.255 7.466 1.00 0.00 H new ATOM 0 HA LYS A 45 3.368 7.710 4.671 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.384 6.141 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.645 6.353 6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.789 5.623 4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.413 5.085 4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 45 1.048 4.228 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.451 3.381 4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.634 2.157 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.867 3.232 5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.267 2.948 8.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.039 4.307 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.364 4.333 8.054 1.00 0.00 H new ATOM 606 N ARG A 46 0.531 8.644 6.104 1.00 0.00 N ATOM 607 CA ARG A 46 -0.792 9.192 5.830 1.00 0.00 C ATOM 608 C ARG A 46 -0.762 10.095 4.600 1.00 0.00 C ATOM 609 O ARG A 46 -1.629 10.006 3.731 1.00 0.00 O ATOM 610 CB ARG A 46 -1.303 9.976 7.040 1.00 0.00 C ATOM 611 CG ARG A 46 -1.687 9.096 8.218 1.00 0.00 C ATOM 612 CD ARG A 46 -2.425 9.887 9.287 1.00 0.00 C ATOM 613 NE ARG A 46 -3.671 10.459 8.783 1.00 0.00 N ATOM 614 CZ ARG A 46 -3.763 11.679 8.266 1.00 0.00 C ATOM 615 NH1 ARG A 46 -2.689 12.451 8.185 1.00 0.00 N ATOM 616 NH2 ARG A 46 -4.933 12.128 7.828 1.00 0.00 N ATOM 0 H ARG A 46 0.742 8.525 7.095 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.469 8.361 5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.533 10.679 7.358 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.169 10.566 6.741 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.316 8.276 7.871 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.790 8.650 8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.642 9.237 10.134 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.782 10.686 9.655 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.517 9.891 8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.788 12.109 8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -2.763 13.387 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.761 11.536 7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.003 13.065 7.431 1.00 0.00 H new ATOM 630 N ALA A 47 0.241 10.965 4.536 1.00 0.00 N ATOM 631 CA ALA A 47 0.385 11.883 3.413 1.00 0.00 C ATOM 632 C ALA A 47 0.855 11.150 2.161 1.00 0.00 C ATOM 633 O ALA A 47 2.036 10.836 2.020 1.00 0.00 O ATOM 634 CB ALA A 47 1.353 13.002 3.767 1.00 0.00 C ATOM 0 H ALA A 47 0.965 11.053 5.249 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.593 12.316 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.451 13.680 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.975 13.551 4.629 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.328 12.577 4.007 1.00 0.00 H new ATOM 640 N GLY A 48 -0.078 10.880 1.253 1.00 0.00 N ATOM 641 CA GLY A 48 0.260 10.185 0.025 1.00 0.00 C ATOM 642 C GLY A 48 0.341 8.683 0.212 1.00 0.00 C ATOM 643 O GLY A 48 1.318 8.052 -0.191 1.00 0.00 O ATOM 0 H GLY A 48 -1.062 11.130 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.487 10.414 -0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.216 10.554 -0.346 1.00 0.00 H new ATOM 647 N TRP A 49 -0.687 8.109 0.827 1.00 0.00 N ATOM 648 CA TRP A 49 -0.727 6.671 1.068 1.00 0.00 C ATOM 649 C TRP A 49 -1.239 5.927 -0.160 1.00 0.00 C ATOM 650 O TRP A 49 -2.000 6.477 -0.956 1.00 0.00 O ATOM 651 CB TRP A 49 -1.614 6.360 2.275 1.00 0.00 C ATOM 652 CG TRP A 49 -1.658 4.902 2.620 1.00 0.00 C ATOM 653 CD1 TRP A 49 -0.776 4.219 3.406 1.00 0.00 C ATOM 654 CD2 TRP A 49 -2.635 3.949 2.187 1.00 0.00 C ATOM 655 NE1 TRP A 49 -1.145 2.898 3.489 1.00 0.00 N ATOM 656 CE2 TRP A 49 -2.283 2.707 2.750 1.00 0.00 C ATOM 657 CE3 TRP A 49 -3.774 4.024 1.381 1.00 0.00 C ATOM 658 CZ2 TRP A 49 -3.028 1.552 2.531 1.00 0.00 C ATOM 659 CZ3 TRP A 49 -4.513 2.877 1.164 1.00 0.00 C ATOM 660 CH2 TRP A 49 -4.139 1.654 1.737 1.00 0.00 C ATOM 0 H TRP A 49 -1.503 8.617 1.168 1.00 0.00 H new ATOM 0 HA TRP A 49 0.289 6.334 1.276 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.251 6.919 3.137 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.627 6.709 2.072 1.00 0.00 H new ATOM 0 HD1 TRP A 49 0.086 4.653 3.892 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -0.652 2.177 4.015 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.071 4.962 0.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.740 0.609 2.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.395 2.924 0.542 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.738 0.775 1.549 1.00 0.00 H new ATOM 671 N GLN A 50 -0.818 4.675 -0.307 1.00 0.00 N ATOM 672 CA GLN A 50 -1.235 3.857 -1.440 1.00 0.00 C ATOM 673 C GLN A 50 -1.536 2.429 -0.998 1.00 0.00 C ATOM 674 O GLN A 50 -0.772 1.828 -0.242 1.00 0.00 O ATOM 675 CB GLN A 50 -0.152 3.853 -2.519 1.00 0.00 C ATOM 676 CG GLN A 50 -0.307 4.967 -3.542 1.00 0.00 C ATOM 677 CD GLN A 50 0.466 4.700 -4.818 1.00 0.00 C ATOM 678 OE1 GLN A 50 1.511 5.303 -5.063 1.00 0.00 O ATOM 679 NE2 GLN A 50 -0.045 3.790 -5.641 1.00 0.00 N ATOM 0 H GLN A 50 -0.189 4.205 0.344 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.146 4.289 -1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.824 3.942 -2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.168 2.893 -3.035 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.363 5.091 -3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.033 5.906 -3.105 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -0.914 3.314 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 50 0.432 3.568 -6.515 1.00 0.00 H new ATOM 688 N CYS A 51 -2.653 1.890 -1.474 1.00 0.00 N ATOM 689 CA CYS A 51 -3.055 0.532 -1.129 1.00 0.00 C ATOM 690 C CYS A 51 -2.148 -0.493 -1.803 1.00 0.00 C ATOM 691 O CYS A 51 -1.500 -0.216 -2.813 1.00 0.00 O ATOM 692 CB CYS A 51 -4.509 0.289 -1.538 1.00 0.00 C ATOM 693 SG CYS A 51 -4.717 -0.237 -3.270 1.00 0.00 S ATOM 0 H CYS A 51 -3.297 2.374 -2.100 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.964 0.417 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.937 -0.472 -0.885 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.078 1.204 -1.377 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.796 0.298 -3.759 1.00 0.00 H new ATOM 698 N PRO A 52 -2.099 -1.706 -1.232 1.00 0.00 N ATOM 699 CA PRO A 52 -1.275 -2.797 -1.761 1.00 0.00 C ATOM 700 C PRO A 52 -1.805 -3.334 -3.086 1.00 0.00 C ATOM 701 O PRO A 52 -1.139 -4.120 -3.759 1.00 0.00 O ATOM 702 CB PRO A 52 -1.367 -3.870 -0.674 1.00 0.00 C ATOM 703 CG PRO A 52 -2.657 -3.597 0.020 1.00 0.00 C ATOM 704 CD PRO A 52 -2.844 -2.106 -0.027 1.00 0.00 C ATOM 0 HA PRO A 52 -0.256 -2.472 -1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.353 -4.871 -1.104 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.525 -3.808 0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.482 -4.110 -0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.630 -3.955 1.049 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.897 -1.835 -0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.450 -1.623 0.867 1.00 0.00 H new ATOM 712 N GLU A 53 -3.008 -2.904 -3.455 1.00 0.00 N ATOM 713 CA GLU A 53 -3.627 -3.343 -4.700 1.00 0.00 C ATOM 714 C GLU A 53 -3.221 -2.436 -5.859 1.00 0.00 C ATOM 715 O GLU A 53 -3.286 -2.830 -7.023 1.00 0.00 O ATOM 716 CB GLU A 53 -5.150 -3.359 -4.561 1.00 0.00 C ATOM 717 CG GLU A 53 -5.640 -4.094 -3.324 1.00 0.00 C ATOM 718 CD GLU A 53 -5.829 -5.579 -3.565 1.00 0.00 C ATOM 719 OE1 GLU A 53 -6.419 -5.942 -4.604 1.00 0.00 O ATOM 720 OE2 GLU A 53 -5.387 -6.379 -2.714 1.00 0.00 O ATOM 0 H GLU A 53 -3.573 -2.253 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.278 -4.354 -4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.515 -2.332 -4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.582 -3.826 -5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.926 -3.949 -2.513 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.585 -3.659 -2.998 1.00 0.00 H new ATOM 727 N CYS A 54 -2.802 -1.218 -5.530 1.00 0.00 N ATOM 728 CA CYS A 54 -2.386 -0.254 -6.541 1.00 0.00 C ATOM 729 C CYS A 54 -0.882 -0.009 -6.474 1.00 0.00 C ATOM 730 O CYS A 54 -0.244 0.294 -7.483 1.00 0.00 O ATOM 731 CB CYS A 54 -3.137 1.066 -6.356 1.00 0.00 C ATOM 732 SG CYS A 54 -4.926 0.957 -6.687 1.00 0.00 S ATOM 0 H CYS A 54 -2.742 -0.876 -4.571 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.625 -0.667 -7.521 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.988 1.416 -5.335 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.701 1.815 -7.017 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.586 1.238 -5.603 1.00 0.00 H new ATOM 737 N LYS A 55 -0.319 -0.144 -5.278 1.00 0.00 N ATOM 738 CA LYS A 55 1.110 0.060 -5.076 1.00 0.00 C ATOM 739 C LYS A 55 1.924 -0.808 -6.031 1.00 0.00 C ATOM 740 O LYS A 55 1.619 -1.984 -6.229 1.00 0.00 O ATOM 741 CB LYS A 55 1.493 -0.258 -3.629 1.00 0.00 C ATOM 742 CG LYS A 55 2.970 -0.561 -3.443 1.00 0.00 C ATOM 743 CD LYS A 55 3.224 -1.332 -2.159 1.00 0.00 C ATOM 744 CE LYS A 55 2.859 -0.508 -0.933 1.00 0.00 C ATOM 745 NZ LYS A 55 1.385 -0.415 -0.746 1.00 0.00 N ATOM 0 H LYS A 55 -0.832 -0.394 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 55 1.334 1.106 -5.283 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.222 0.587 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.909 -1.113 -3.287 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.334 -1.138 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.534 0.371 -3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.642 -2.254 -2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.274 -1.618 -2.107 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.310 -0.956 -0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.277 0.494 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.151 -0.580 0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.058 0.532 -1.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.915 -1.132 -1.334 1.00 0.00 H new ATOM 759 N VAL A 56 2.961 -0.221 -6.620 1.00 0.00 N ATOM 760 CA VAL A 56 3.820 -0.942 -7.551 1.00 0.00 C ATOM 761 C VAL A 56 5.276 -0.518 -7.397 1.00 0.00 C ATOM 762 O VAL A 56 5.567 0.610 -6.998 1.00 0.00 O ATOM 763 CB VAL A 56 3.382 -0.714 -9.010 1.00 0.00 C ATOM 764 CG1 VAL A 56 1.886 -0.945 -9.161 1.00 0.00 C ATOM 765 CG2 VAL A 56 3.762 0.687 -9.467 1.00 0.00 C ATOM 0 H VAL A 56 3.226 0.752 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 56 3.726 -2.001 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 56 3.902 -1.432 -9.644 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.595 -0.779 -10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.645 -1.969 -8.876 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.344 -0.252 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.445 0.831 -10.500 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.271 1.423 -8.831 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.843 0.812 -9.398 1.00 0.00 H new ATOM 775 N CYS A 57 6.189 -1.430 -7.716 1.00 0.00 N ATOM 776 CA CYS A 57 7.616 -1.152 -7.614 1.00 0.00 C ATOM 777 C CYS A 57 7.998 0.056 -8.465 1.00 0.00 C ATOM 778 O CYS A 57 7.899 0.020 -9.691 1.00 0.00 O ATOM 779 CB CYS A 57 8.428 -2.373 -8.050 1.00 0.00 C ATOM 780 SG CYS A 57 10.232 -2.137 -7.963 1.00 0.00 S ATOM 0 H CYS A 57 5.965 -2.368 -8.047 1.00 0.00 H new ATOM 0 HA CYS A 57 7.842 -0.927 -6.572 1.00 0.00 H new ATOM 0 HB2 CYS A 57 8.153 -3.221 -7.423 1.00 0.00 H new ATOM 0 HB3 CYS A 57 8.155 -2.631 -9.073 1.00 0.00 H new ATOM 0 HG CYS A 57 10.521 -1.368 -6.955 1.00 0.00 H new ATOM 785 N GLN A 58 8.433 1.124 -7.804 1.00 0.00 N ATOM 786 CA GLN A 58 8.829 2.343 -8.500 1.00 0.00 C ATOM 787 C GLN A 58 10.147 2.144 -9.240 1.00 0.00 C ATOM 788 O GLN A 58 10.478 2.900 -10.152 1.00 0.00 O ATOM 789 CB GLN A 58 8.957 3.502 -7.510 1.00 0.00 C ATOM 790 CG GLN A 58 7.641 3.890 -6.854 1.00 0.00 C ATOM 791 CD GLN A 58 6.828 4.850 -7.699 1.00 0.00 C ATOM 792 OE1 GLN A 58 7.362 5.807 -8.259 1.00 0.00 O ATOM 793 NE2 GLN A 58 5.528 4.598 -7.797 1.00 0.00 N ATOM 0 H GLN A 58 8.520 1.170 -6.789 1.00 0.00 H new ATOM 0 HA GLN A 58 8.056 2.581 -9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.673 3.229 -6.735 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.364 4.369 -8.030 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.054 2.991 -6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.843 4.347 -5.885 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.127 3.793 -7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.931 5.209 -8.353 1.00 0.00 H new ATOM 802 N ASN A 59 10.896 1.121 -8.841 1.00 0.00 N ATOM 803 CA ASN A 59 12.179 0.823 -9.466 1.00 0.00 C ATOM 804 C ASN A 59 11.988 0.363 -10.908 1.00 0.00 C ATOM 805 O ASN A 59 12.548 0.947 -11.837 1.00 0.00 O ATOM 806 CB ASN A 59 12.920 -0.253 -8.670 1.00 0.00 C ATOM 807 CG ASN A 59 12.838 -0.025 -7.173 1.00 0.00 C ATOM 808 OD1 ASN A 59 12.258 -0.828 -6.443 1.00 0.00 O ATOM 809 ND2 ASN A 59 13.419 1.075 -6.710 1.00 0.00 N ATOM 0 H ASN A 59 10.636 0.485 -8.087 1.00 0.00 H new ATOM 0 HA ASN A 59 12.773 1.737 -9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 59 12.502 -1.231 -8.909 1.00 0.00 H new ATOM 0 HB3 ASN A 59 13.966 -0.271 -8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.396 1.283 -5.712 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.889 1.713 -7.353 1.00 0.00 H new ATOM 816 N CYS A 60 11.193 -0.686 -11.088 1.00 0.00 N ATOM 817 CA CYS A 60 10.926 -1.225 -12.416 1.00 0.00 C ATOM 818 C CYS A 60 9.495 -0.921 -12.850 1.00 0.00 C ATOM 819 O CYS A 60 8.996 -1.484 -13.824 1.00 0.00 O ATOM 820 CB CYS A 60 11.166 -2.736 -12.434 1.00 0.00 C ATOM 821 SG CYS A 60 9.996 -3.687 -11.411 1.00 0.00 S ATOM 0 H CYS A 60 10.722 -1.180 -10.330 1.00 0.00 H new ATOM 0 HA CYS A 60 11.609 -0.747 -13.118 1.00 0.00 H new ATOM 0 HB2 CYS A 60 11.104 -3.091 -13.463 1.00 0.00 H new ATOM 0 HB3 CYS A 60 12.180 -2.936 -12.088 1.00 0.00 H new ATOM 0 HG CYS A 60 10.007 -3.225 -10.196 1.00 0.00 H new ATOM 826 N LYS A 61 8.839 -0.026 -12.119 1.00 0.00 N ATOM 827 CA LYS A 61 7.466 0.355 -12.427 1.00 0.00 C ATOM 828 C LYS A 61 6.603 -0.877 -12.679 1.00 0.00 C ATOM 829 O LYS A 61 5.938 -0.978 -13.710 1.00 0.00 O ATOM 830 CB LYS A 61 7.432 1.275 -13.650 1.00 0.00 C ATOM 831 CG LYS A 61 8.126 2.608 -13.428 1.00 0.00 C ATOM 832 CD LYS A 61 7.433 3.424 -12.350 1.00 0.00 C ATOM 833 CE LYS A 61 7.716 4.910 -12.509 1.00 0.00 C ATOM 834 NZ LYS A 61 9.167 5.216 -12.376 1.00 0.00 N ATOM 0 H LYS A 61 9.237 0.449 -11.309 1.00 0.00 H new ATOM 0 HA LYS A 61 7.062 0.890 -11.567 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.903 0.765 -14.491 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.394 1.457 -13.928 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.164 2.436 -13.144 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.139 3.172 -14.361 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.358 3.250 -12.395 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.769 3.091 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.362 5.245 -13.484 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.157 5.468 -11.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.312 6.244 -12.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.511 4.874 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.693 4.744 -13.139 1.00 0.00 H new ATOM 848 N GLN A 62 6.617 -1.809 -11.732 1.00 0.00 N ATOM 849 CA GLN A 62 5.835 -3.033 -11.853 1.00 0.00 C ATOM 850 C GLN A 62 5.390 -3.533 -10.483 1.00 0.00 C ATOM 851 O GLN A 62 6.079 -3.329 -9.483 1.00 0.00 O ATOM 852 CB GLN A 62 6.648 -4.115 -12.564 1.00 0.00 C ATOM 853 CG GLN A 62 6.849 -3.849 -14.048 1.00 0.00 C ATOM 854 CD GLN A 62 5.648 -4.251 -14.880 1.00 0.00 C ATOM 855 OE1 GLN A 62 4.987 -5.250 -14.596 1.00 0.00 O ATOM 856 NE2 GLN A 62 5.358 -3.471 -15.916 1.00 0.00 N ATOM 0 H GLN A 62 7.161 -1.740 -10.872 1.00 0.00 H new ATOM 0 HA GLN A 62 4.947 -2.809 -12.444 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.623 -4.200 -12.083 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.147 -5.075 -12.440 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.053 -2.789 -14.199 1.00 0.00 H new ATOM 0 HG3 GLN A 62 7.726 -4.395 -14.396 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.933 -2.652 -16.115 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.560 -3.691 -16.512 1.00 0.00 H new ATOM 865 N SER A 63 4.234 -4.188 -10.443 1.00 0.00 N ATOM 866 CA SER A 63 3.695 -4.713 -9.195 1.00 0.00 C ATOM 867 C SER A 63 4.039 -6.191 -9.033 1.00 0.00 C ATOM 868 O SER A 63 3.849 -6.771 -7.965 1.00 0.00 O ATOM 869 CB SER A 63 2.178 -4.523 -9.149 1.00 0.00 C ATOM 870 OG SER A 63 1.591 -5.338 -8.149 1.00 0.00 O ATOM 0 H SER A 63 3.653 -4.368 -11.262 1.00 0.00 H new ATOM 0 HA SER A 63 4.148 -4.160 -8.372 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.945 -3.476 -8.952 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.748 -4.768 -10.120 1.00 0.00 H new ATOM 0 HG SER A 63 2.296 -5.741 -7.600 1.00 0.00 H new ATOM 876 N GLY A 64 4.547 -6.794 -10.104 1.00 0.00 N ATOM 877 CA GLY A 64 4.910 -8.198 -10.062 1.00 0.00 C ATOM 878 C GLY A 64 5.881 -8.513 -8.941 1.00 0.00 C ATOM 879 O GLY A 64 6.143 -7.670 -8.084 1.00 0.00 O ATOM 0 H GLY A 64 4.713 -6.335 -11.000 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.009 -8.799 -9.938 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.355 -8.484 -11.015 1.00 0.00 H new ATOM 883 N GLU A 65 6.416 -9.730 -8.948 1.00 0.00 N ATOM 884 CA GLU A 65 7.362 -10.154 -7.922 1.00 0.00 C ATOM 885 C GLU A 65 6.928 -9.660 -6.545 1.00 0.00 C ATOM 886 O GLU A 65 7.718 -9.070 -5.808 1.00 0.00 O ATOM 887 CB GLU A 65 8.764 -9.633 -8.244 1.00 0.00 C ATOM 888 CG GLU A 65 9.576 -10.572 -9.121 1.00 0.00 C ATOM 889 CD GLU A 65 9.100 -10.584 -10.560 1.00 0.00 C ATOM 890 OE1 GLU A 65 7.995 -11.105 -10.817 1.00 0.00 O ATOM 891 OE2 GLU A 65 9.834 -10.070 -11.431 1.00 0.00 O ATOM 0 H GLU A 65 6.211 -10.439 -9.652 1.00 0.00 H new ATOM 0 HA GLU A 65 7.381 -11.244 -7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.678 -8.667 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.303 -9.464 -7.312 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.624 -10.275 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.519 -11.582 -8.715 1.00 0.00 H new ATOM 898 N ASP A 66 5.668 -9.906 -6.205 1.00 0.00 N ATOM 899 CA ASP A 66 5.128 -9.488 -4.917 1.00 0.00 C ATOM 900 C ASP A 66 5.923 -10.102 -3.769 1.00 0.00 C ATOM 901 O ASP A 66 6.465 -9.388 -2.924 1.00 0.00 O ATOM 902 CB ASP A 66 3.655 -9.886 -4.803 1.00 0.00 C ATOM 903 CG ASP A 66 2.761 -9.063 -5.710 1.00 0.00 C ATOM 904 OD1 ASP A 66 2.706 -7.828 -5.528 1.00 0.00 O ATOM 905 OD2 ASP A 66 2.118 -9.653 -6.603 1.00 0.00 O ATOM 0 H ASP A 66 5.001 -10.393 -6.804 1.00 0.00 H new ATOM 0 HA ASP A 66 5.209 -8.403 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.547 -10.942 -5.052 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.328 -9.767 -3.770 1.00 0.00 H new ATOM 910 N SER A 67 5.988 -11.429 -3.744 1.00 0.00 N ATOM 911 CA SER A 67 6.713 -12.139 -2.697 1.00 0.00 C ATOM 912 C SER A 67 8.032 -11.440 -2.379 1.00 0.00 C ATOM 913 O SER A 67 8.268 -11.020 -1.246 1.00 0.00 O ATOM 914 CB SER A 67 6.979 -13.585 -3.123 1.00 0.00 C ATOM 915 OG SER A 67 5.785 -14.348 -3.112 1.00 0.00 O ATOM 0 H SER A 67 5.547 -12.034 -4.437 1.00 0.00 H new ATOM 0 HA SER A 67 6.096 -12.139 -1.798 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.414 -13.599 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.709 -14.037 -2.451 1.00 0.00 H new ATOM 0 HG SER A 67 5.982 -15.267 -3.389 1.00 0.00 H new ATOM 921 N LYS A 68 8.888 -11.319 -3.388 1.00 0.00 N ATOM 922 CA LYS A 68 10.183 -10.670 -3.219 1.00 0.00 C ATOM 923 C LYS A 68 10.010 -9.203 -2.835 1.00 0.00 C ATOM 924 O LYS A 68 10.741 -8.683 -1.993 1.00 0.00 O ATOM 925 CB LYS A 68 11.002 -10.778 -4.506 1.00 0.00 C ATOM 926 CG LYS A 68 11.415 -12.199 -4.847 1.00 0.00 C ATOM 927 CD LYS A 68 11.546 -12.398 -6.348 1.00 0.00 C ATOM 928 CE LYS A 68 11.659 -13.871 -6.707 1.00 0.00 C ATOM 929 NZ LYS A 68 13.049 -14.379 -6.537 1.00 0.00 N ATOM 0 H LYS A 68 8.708 -11.662 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 68 10.714 -11.178 -2.414 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.420 -10.370 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.896 -10.162 -4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.365 -12.428 -4.365 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.679 -12.898 -4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.681 -11.965 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.425 -11.865 -6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.981 -14.451 -6.080 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.342 -14.018 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.084 -15.387 -6.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.692 -13.843 -7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.343 -14.262 -5.546 1.00 0.00 H new ATOM 943 N MET A 69 9.039 -8.544 -3.458 1.00 0.00 N ATOM 944 CA MET A 69 8.770 -7.138 -3.179 1.00 0.00 C ATOM 945 C MET A 69 8.830 -6.860 -1.680 1.00 0.00 C ATOM 946 O MET A 69 8.240 -7.586 -0.879 1.00 0.00 O ATOM 947 CB MET A 69 7.399 -6.740 -3.728 1.00 0.00 C ATOM 948 CG MET A 69 7.143 -5.242 -3.698 1.00 0.00 C ATOM 949 SD MET A 69 5.466 -4.813 -4.204 1.00 0.00 S ATOM 950 CE MET A 69 5.798 -3.704 -5.571 1.00 0.00 C ATOM 0 H MET A 69 8.426 -8.960 -4.159 1.00 0.00 H new ATOM 0 HA MET A 69 9.538 -6.542 -3.673 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.311 -7.095 -4.755 1.00 0.00 H new ATOM 0 HB3 MET A 69 6.625 -7.244 -3.149 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.321 -4.867 -2.690 1.00 0.00 H new ATOM 0 HG3 MET A 69 7.855 -4.742 -4.355 1.00 0.00 H new ATOM 0 HE1 MET A 69 4.978 -2.993 -5.670 1.00 0.00 H new ATOM 0 HE2 MET A 69 6.726 -3.164 -5.384 1.00 0.00 H new ATOM 0 HE3 MET A 69 5.892 -4.280 -6.492 1.00 0.00 H new ATOM 960 N LEU A 70 9.547 -5.805 -1.307 1.00 0.00 N ATOM 961 CA LEU A 70 9.684 -5.431 0.096 1.00 0.00 C ATOM 962 C LEU A 70 8.841 -4.201 0.417 1.00 0.00 C ATOM 963 O LEU A 70 9.137 -3.097 -0.040 1.00 0.00 O ATOM 964 CB LEU A 70 11.152 -5.160 0.431 1.00 0.00 C ATOM 965 CG LEU A 70 12.109 -6.340 0.259 1.00 0.00 C ATOM 966 CD1 LEU A 70 13.500 -5.849 -0.111 1.00 0.00 C ATOM 967 CD2 LEU A 70 12.157 -7.178 1.528 1.00 0.00 C ATOM 0 H LEU A 70 10.042 -5.194 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 70 9.326 -6.262 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.502 -4.340 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.211 -4.818 1.464 1.00 0.00 H new ATOM 0 HG LEU A 70 11.740 -6.967 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.168 -6.702 -0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.452 -5.293 -1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.878 -5.199 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.843 -8.013 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.502 -6.562 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.161 -7.561 1.749 1.00 0.00 H new ATOM 979 N VAL A 71 7.791 -4.399 1.208 1.00 0.00 N ATOM 980 CA VAL A 71 6.908 -3.306 1.594 1.00 0.00 C ATOM 981 C VAL A 71 7.410 -2.612 2.855 1.00 0.00 C ATOM 982 O VAL A 71 7.440 -3.205 3.933 1.00 0.00 O ATOM 983 CB VAL A 71 5.470 -3.804 1.833 1.00 0.00 C ATOM 984 CG1 VAL A 71 4.603 -2.686 2.391 1.00 0.00 C ATOM 985 CG2 VAL A 71 4.877 -4.357 0.546 1.00 0.00 C ATOM 0 H VAL A 71 7.532 -5.307 1.594 1.00 0.00 H new ATOM 0 HA VAL A 71 6.906 -2.595 0.768 1.00 0.00 H new ATOM 0 HB VAL A 71 5.501 -4.609 2.568 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.591 -3.057 2.553 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.019 -2.341 3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.577 -1.858 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.861 -4.704 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.859 -3.574 -0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.486 -5.190 0.193 1.00 0.00 H new ATOM 995 N CYS A 72 7.803 -1.351 2.713 1.00 0.00 N ATOM 996 CA CYS A 72 8.304 -0.574 3.840 1.00 0.00 C ATOM 997 C CYS A 72 7.270 -0.510 4.960 1.00 0.00 C ATOM 998 O CYS A 72 6.096 -0.816 4.752 1.00 0.00 O ATOM 999 CB CYS A 72 8.671 0.841 3.388 1.00 0.00 C ATOM 1000 SG CYS A 72 9.715 1.753 4.571 1.00 0.00 S ATOM 0 H CYS A 72 7.784 -0.845 1.828 1.00 0.00 H new ATOM 0 HA CYS A 72 9.197 -1.069 4.222 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.191 0.782 2.432 1.00 0.00 H new ATOM 0 HB3 CYS A 72 7.754 1.406 3.218 1.00 0.00 H new ATOM 0 HG CYS A 72 10.587 2.465 3.921 1.00 0.00 H new ATOM 1005 N ASP A 73 7.714 -0.110 6.146 1.00 0.00 N ATOM 1006 CA ASP A 73 6.827 -0.005 7.299 1.00 0.00 C ATOM 1007 C ASP A 73 6.470 1.451 7.578 1.00 0.00 C ATOM 1008 O ASP A 73 5.368 1.755 8.035 1.00 0.00 O ATOM 1009 CB ASP A 73 7.483 -0.628 8.532 1.00 0.00 C ATOM 1010 CG ASP A 73 8.426 0.330 9.233 1.00 0.00 C ATOM 1011 OD1 ASP A 73 7.935 1.282 9.875 1.00 0.00 O ATOM 1012 OD2 ASP A 73 9.655 0.129 9.138 1.00 0.00 O ATOM 0 H ASP A 73 8.683 0.147 6.335 1.00 0.00 H new ATOM 0 HA ASP A 73 5.910 -0.548 7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 73 6.709 -0.947 9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.032 -1.522 8.235 1.00 0.00 H new ATOM 1017 N THR A 74 7.410 2.350 7.302 1.00 0.00 N ATOM 1018 CA THR A 74 7.196 3.774 7.525 1.00 0.00 C ATOM 1019 C THR A 74 6.453 4.408 6.355 1.00 0.00 C ATOM 1020 O THR A 74 5.316 4.859 6.499 1.00 0.00 O ATOM 1021 CB THR A 74 8.529 4.516 7.735 1.00 0.00 C ATOM 1022 OG1 THR A 74 9.093 4.162 9.003 1.00 0.00 O ATOM 1023 CG2 THR A 74 8.326 6.023 7.668 1.00 0.00 C ATOM 0 H THR A 74 8.328 2.116 6.923 1.00 0.00 H new ATOM 0 HA THR A 74 6.592 3.865 8.428 1.00 0.00 H new ATOM 0 HB THR A 74 9.213 4.221 6.939 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.748 3.288 9.282 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.281 6.526 7.819 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.924 6.293 6.691 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.627 6.331 8.446 1.00 0.00 H new ATOM 1031 N CYS A 75 7.101 4.440 5.196 1.00 0.00 N ATOM 1032 CA CYS A 75 6.502 5.019 3.999 1.00 0.00 C ATOM 1033 C CYS A 75 5.694 3.974 3.235 1.00 0.00 C ATOM 1034 O CYS A 75 4.875 4.311 2.381 1.00 0.00 O ATOM 1035 CB CYS A 75 7.587 5.605 3.093 1.00 0.00 C ATOM 1036 SG CYS A 75 8.491 4.361 2.117 1.00 0.00 S ATOM 0 H CYS A 75 8.042 4.071 5.060 1.00 0.00 H new ATOM 0 HA CYS A 75 5.828 5.817 4.310 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.129 6.323 2.412 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.299 6.157 3.707 1.00 0.00 H new ATOM 0 HG CYS A 75 8.977 3.455 2.912 1.00 0.00 H new ATOM 1041 N ASP A 76 5.931 2.706 3.550 1.00 0.00 N ATOM 1042 CA ASP A 76 5.225 1.611 2.895 1.00 0.00 C ATOM 1043 C ASP A 76 5.139 1.843 1.390 1.00 0.00 C ATOM 1044 O ASP A 76 4.052 1.835 0.810 1.00 0.00 O ATOM 1045 CB ASP A 76 3.821 1.458 3.481 1.00 0.00 C ATOM 1046 CG ASP A 76 3.836 0.853 4.871 1.00 0.00 C ATOM 1047 OD1 ASP A 76 4.835 1.054 5.594 1.00 0.00 O ATOM 1048 OD2 ASP A 76 2.851 0.178 5.236 1.00 0.00 O ATOM 0 H ASP A 76 6.607 2.411 4.255 1.00 0.00 H new ATOM 0 HA ASP A 76 5.786 0.693 3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.338 2.434 3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.222 0.831 2.821 1.00 0.00 H new ATOM 1053 N LYS A 77 6.291 2.052 0.761 1.00 0.00 N ATOM 1054 CA LYS A 77 6.347 2.287 -0.677 1.00 0.00 C ATOM 1055 C LYS A 77 6.268 0.972 -1.446 1.00 0.00 C ATOM 1056 O LYS A 77 5.230 0.635 -2.013 1.00 0.00 O ATOM 1057 CB LYS A 77 7.635 3.028 -1.043 1.00 0.00 C ATOM 1058 CG LYS A 77 7.517 4.539 -0.943 1.00 0.00 C ATOM 1059 CD LYS A 77 6.848 5.129 -2.173 1.00 0.00 C ATOM 1060 CE LYS A 77 5.337 5.184 -2.014 1.00 0.00 C ATOM 1061 NZ LYS A 77 4.741 6.323 -2.767 1.00 0.00 N ATOM 0 H LYS A 77 7.199 2.063 1.225 1.00 0.00 H new ATOM 0 HA LYS A 77 5.490 2.901 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.437 2.690 -0.387 1.00 0.00 H new ATOM 0 HB3 LYS A 77 7.921 2.761 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.943 4.802 -0.054 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.509 4.975 -0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.233 6.133 -2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.101 4.531 -3.048 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.901 4.249 -2.365 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.086 5.276 -0.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.710 6.326 -2.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.138 7.217 -2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.958 6.222 -3.779 1.00 0.00 H new ATOM 1075 N GLY A 78 7.373 0.233 -1.461 1.00 0.00 N ATOM 1076 CA GLY A 78 7.406 -1.037 -2.163 1.00 0.00 C ATOM 1077 C GLY A 78 8.510 -1.097 -3.200 1.00 0.00 C ATOM 1078 O GLY A 78 8.463 -0.390 -4.207 1.00 0.00 O ATOM 0 H GLY A 78 8.246 0.491 -1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.544 -1.843 -1.443 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.445 -1.205 -2.649 1.00 0.00 H new ATOM 1082 N TYR A 79 9.505 -1.941 -2.955 1.00 0.00 N ATOM 1083 CA TYR A 79 10.628 -2.088 -3.874 1.00 0.00 C ATOM 1084 C TYR A 79 11.144 -3.523 -3.879 1.00 0.00 C ATOM 1085 O TYR A 79 11.363 -4.121 -2.824 1.00 0.00 O ATOM 1086 CB TYR A 79 11.756 -1.129 -3.490 1.00 0.00 C ATOM 1087 CG TYR A 79 11.294 0.293 -3.270 1.00 0.00 C ATOM 1088 CD1 TYR A 79 11.136 1.167 -4.338 1.00 0.00 C ATOM 1089 CD2 TYR A 79 11.014 0.763 -1.992 1.00 0.00 C ATOM 1090 CE1 TYR A 79 10.715 2.468 -4.141 1.00 0.00 C ATOM 1091 CE2 TYR A 79 10.590 2.062 -1.786 1.00 0.00 C ATOM 1092 CZ TYR A 79 10.443 2.910 -2.863 1.00 0.00 C ATOM 1093 OH TYR A 79 10.021 4.205 -2.663 1.00 0.00 O ATOM 0 H TYR A 79 9.557 -2.535 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 79 10.278 -1.844 -4.877 1.00 0.00 H new ATOM 0 HB2 TYR A 79 12.235 -1.491 -2.580 1.00 0.00 H new ATOM 0 HB3 TYR A 79 12.513 -1.139 -4.275 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.346 0.823 -5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.130 0.102 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.600 3.135 -4.983 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.375 2.411 -0.787 1.00 0.00 H new ATOM 0 HH TYR A 79 9.524 4.512 -3.450 1.00 0.00 H new ATOM 1103 N HIS A 80 11.337 -4.072 -5.074 1.00 0.00 N ATOM 1104 CA HIS A 80 11.829 -5.437 -5.218 1.00 0.00 C ATOM 1105 C HIS A 80 13.293 -5.534 -4.798 1.00 0.00 C ATOM 1106 O HIS A 80 14.036 -4.554 -4.865 1.00 0.00 O ATOM 1107 CB HIS A 80 11.669 -5.909 -6.664 1.00 0.00 C ATOM 1108 CG HIS A 80 10.268 -5.794 -7.180 1.00 0.00 C ATOM 1109 ND1 HIS A 80 9.971 -5.574 -8.508 1.00 0.00 N ATOM 1110 CD2 HIS A 80 9.079 -5.871 -6.538 1.00 0.00 C ATOM 1111 CE1 HIS A 80 8.660 -5.518 -8.661 1.00 0.00 C ATOM 1112 NE2 HIS A 80 8.095 -5.696 -7.480 1.00 0.00 N ATOM 0 H HIS A 80 11.160 -3.592 -5.957 1.00 0.00 H new ATOM 0 HA HIS A 80 11.239 -6.081 -4.566 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.332 -5.326 -7.303 1.00 0.00 H new ATOM 0 HB3 HIS A 80 11.990 -6.948 -6.736 1.00 0.00 H new ATOM 0 HD1 HIS A 80 10.657 -5.471 -9.256 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.931 -6.039 -5.481 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.139 -5.355 -9.593 1.00 0.00 H new ATOM 1120 N THR A 81 13.701 -6.723 -4.364 1.00 0.00 N ATOM 1121 CA THR A 81 15.075 -6.948 -3.931 1.00 0.00 C ATOM 1122 C THR A 81 16.058 -6.697 -5.069 1.00 0.00 C ATOM 1123 O THR A 81 16.963 -5.871 -4.949 1.00 0.00 O ATOM 1124 CB THR A 81 15.270 -8.382 -3.406 1.00 0.00 C ATOM 1125 OG1 THR A 81 14.704 -9.322 -4.325 1.00 0.00 O ATOM 1126 CG2 THR A 81 14.625 -8.551 -2.039 1.00 0.00 C ATOM 0 H THR A 81 13.100 -7.545 -4.303 1.00 0.00 H new ATOM 0 HA THR A 81 15.272 -6.243 -3.123 1.00 0.00 H new ATOM 0 HB THR A 81 16.340 -8.567 -3.311 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.834 -10.232 -3.984 1.00 0.00 H new ATOM 0 HG21 THR A 81 14.776 -9.572 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.079 -7.855 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 81 13.557 -8.347 -2.113 1.00 0.00 H new ATOM 1134 N PHE A 82 15.874 -7.414 -6.172 1.00 0.00 N ATOM 1135 CA PHE A 82 16.746 -7.269 -7.332 1.00 0.00 C ATOM 1136 C PHE A 82 16.618 -5.874 -7.938 1.00 0.00 C ATOM 1137 O PHE A 82 17.322 -5.530 -8.887 1.00 0.00 O ATOM 1138 CB PHE A 82 16.410 -8.327 -8.385 1.00 0.00 C ATOM 1139 CG PHE A 82 15.126 -8.060 -9.115 1.00 0.00 C ATOM 1140 CD1 PHE A 82 13.922 -8.542 -8.627 1.00 0.00 C ATOM 1141 CD2 PHE A 82 15.122 -7.326 -10.291 1.00 0.00 C ATOM 1142 CE1 PHE A 82 12.738 -8.297 -9.297 1.00 0.00 C ATOM 1143 CE2 PHE A 82 13.941 -7.078 -10.965 1.00 0.00 C ATOM 1144 CZ PHE A 82 12.748 -7.565 -10.468 1.00 0.00 C ATOM 0 H PHE A 82 15.129 -8.101 -6.287 1.00 0.00 H new ATOM 0 HA PHE A 82 17.775 -7.409 -7.001 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.225 -8.381 -9.107 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.348 -9.302 -7.902 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.908 -9.116 -7.712 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.052 -6.944 -10.685 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.806 -8.678 -8.905 1.00 0.00 H new ATOM 0 HE2 PHE A 82 13.951 -6.504 -11.880 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.824 -7.374 -10.994 1.00 0.00 H new ATOM 1154 N CYS A 83 15.713 -5.076 -7.383 1.00 0.00 N ATOM 1155 CA CYS A 83 15.489 -3.719 -7.867 1.00 0.00 C ATOM 1156 C CYS A 83 16.170 -2.698 -6.960 1.00 0.00 C ATOM 1157 O CYS A 83 16.212 -1.506 -7.268 1.00 0.00 O ATOM 1158 CB CYS A 83 13.990 -3.424 -7.949 1.00 0.00 C ATOM 1159 SG CYS A 83 13.175 -4.119 -9.423 1.00 0.00 S ATOM 0 H CYS A 83 15.122 -5.346 -6.597 1.00 0.00 H new ATOM 0 HA CYS A 83 15.923 -3.640 -8.864 1.00 0.00 H new ATOM 0 HB2 CYS A 83 13.503 -3.820 -7.057 1.00 0.00 H new ATOM 0 HB3 CYS A 83 13.842 -2.344 -7.940 1.00 0.00 H new ATOM 0 HG CYS A 83 13.714 -5.265 -9.717 1.00 0.00 H new ATOM 1164 N LEU A 84 16.703 -3.174 -5.839 1.00 0.00 N ATOM 1165 CA LEU A 84 17.383 -2.304 -4.886 1.00 0.00 C ATOM 1166 C LEU A 84 18.847 -2.115 -5.270 1.00 0.00 C ATOM 1167 O LEU A 84 19.486 -3.031 -5.786 1.00 0.00 O ATOM 1168 CB LEU A 84 17.285 -2.885 -3.475 1.00 0.00 C ATOM 1169 CG LEU A 84 15.901 -2.842 -2.826 1.00 0.00 C ATOM 1170 CD1 LEU A 84 15.940 -3.471 -1.442 1.00 0.00 C ATOM 1171 CD2 LEU A 84 15.392 -1.410 -2.749 1.00 0.00 C ATOM 0 H LEU A 84 16.677 -4.157 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 84 16.893 -1.331 -4.906 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.617 -3.923 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.982 -2.347 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 84 15.213 -3.418 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.946 -3.431 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.260 -4.510 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.642 -2.923 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 84 14.406 -1.399 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.081 -0.811 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 84 15.324 -0.993 -3.754 1.00 0.00 H new ATOM 1183 N GLN A 85 19.372 -0.921 -5.012 1.00 0.00 N ATOM 1184 CA GLN A 85 20.762 -0.614 -5.329 1.00 0.00 C ATOM 1185 C GLN A 85 21.516 -0.156 -4.085 1.00 0.00 C ATOM 1186 O GLN A 85 21.386 0.983 -3.634 1.00 0.00 O ATOM 1187 CB GLN A 85 20.833 0.466 -6.409 1.00 0.00 C ATOM 1188 CG GLN A 85 19.988 1.692 -6.101 1.00 0.00 C ATOM 1189 CD GLN A 85 19.930 2.667 -7.261 1.00 0.00 C ATOM 1190 OE1 GLN A 85 19.215 2.445 -8.239 1.00 0.00 O ATOM 1191 NE2 GLN A 85 20.684 3.755 -7.157 1.00 0.00 N ATOM 0 H GLN A 85 18.856 -0.151 -4.585 1.00 0.00 H new ATOM 0 HA GLN A 85 21.233 -1.523 -5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 85 21.871 0.773 -6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 85 20.508 0.040 -7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 85 18.976 1.377 -5.845 1.00 0.00 H new ATOM 0 HG3 GLN A 85 20.395 2.198 -5.226 1.00 0.00 H new ATOM 0 HE21 GLN A 85 21.261 3.898 -6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 85 20.686 4.448 -7.906 1.00 0.00 H new ATOM 1200 N PRO A 86 22.323 -1.063 -3.514 1.00 0.00 N ATOM 1201 CA PRO A 86 22.485 -2.421 -4.040 1.00 0.00 C ATOM 1202 C PRO A 86 21.233 -3.270 -3.848 1.00 0.00 C ATOM 1203 O PRO A 86 20.250 -2.820 -3.260 1.00 0.00 O ATOM 1204 CB PRO A 86 23.645 -2.985 -3.216 1.00 0.00 C ATOM 1205 CG PRO A 86 23.619 -2.209 -1.945 1.00 0.00 C ATOM 1206 CD PRO A 86 23.139 -0.832 -2.310 1.00 0.00 C ATOM 0 HA PRO A 86 22.667 -2.423 -5.115 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.518 -4.052 -3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 86 24.596 -2.863 -3.735 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.954 -2.674 -1.218 1.00 0.00 H new ATOM 0 HG3 PRO A 86 24.609 -2.170 -1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 86 22.553 -0.385 -1.507 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.971 -0.157 -2.512 1.00 0.00 H new ATOM 1214 N VAL A 87 21.276 -4.501 -4.349 1.00 0.00 N ATOM 1215 CA VAL A 87 20.145 -5.414 -4.231 1.00 0.00 C ATOM 1216 C VAL A 87 20.278 -6.296 -2.994 1.00 0.00 C ATOM 1217 O VAL A 87 21.377 -6.713 -2.632 1.00 0.00 O ATOM 1218 CB VAL A 87 20.015 -6.311 -5.476 1.00 0.00 C ATOM 1219 CG1 VAL A 87 21.374 -6.518 -6.129 1.00 0.00 C ATOM 1220 CG2 VAL A 87 19.383 -7.645 -5.108 1.00 0.00 C ATOM 0 H VAL A 87 22.082 -4.889 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 87 19.250 -4.799 -4.141 1.00 0.00 H new ATOM 0 HB VAL A 87 19.365 -5.813 -6.195 1.00 0.00 H new ATOM 0 HG11 VAL A 87 21.263 -7.154 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 87 21.784 -5.554 -6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 87 22.050 -6.995 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 87 19.299 -8.266 -6.000 1.00 0.00 H new ATOM 0 HG22 VAL A 87 20.006 -8.151 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 87 18.391 -7.475 -4.690 1.00 0.00 H new ATOM 1230 N MET A 88 19.149 -6.577 -2.351 1.00 0.00 N ATOM 1231 CA MET A 88 19.139 -7.411 -1.155 1.00 0.00 C ATOM 1232 C MET A 88 19.371 -8.876 -1.512 1.00 0.00 C ATOM 1233 O MET A 88 18.715 -9.421 -2.401 1.00 0.00 O ATOM 1234 CB MET A 88 17.810 -7.260 -0.412 1.00 0.00 C ATOM 1235 CG MET A 88 17.730 -6.003 0.439 1.00 0.00 C ATOM 1236 SD MET A 88 18.460 -6.224 2.073 1.00 0.00 S ATOM 1237 CE MET A 88 16.989 -6.353 3.087 1.00 0.00 C ATOM 0 H MET A 88 18.230 -6.240 -2.638 1.00 0.00 H new ATOM 0 HA MET A 88 19.950 -7.080 -0.506 1.00 0.00 H new ATOM 0 HB2 MET A 88 16.996 -7.250 -1.137 1.00 0.00 H new ATOM 0 HB3 MET A 88 17.658 -8.131 0.226 1.00 0.00 H new ATOM 0 HG2 MET A 88 18.239 -5.188 -0.075 1.00 0.00 H new ATOM 0 HG3 MET A 88 16.686 -5.708 0.548 1.00 0.00 H new ATOM 0 HE1 MET A 88 16.796 -5.396 3.572 1.00 0.00 H new ATOM 0 HE2 MET A 88 16.138 -6.621 2.461 1.00 0.00 H new ATOM 0 HE3 MET A 88 17.137 -7.121 3.846 1.00 0.00 H new ATOM 1247 N LYS A 89 20.309 -9.509 -0.815 1.00 0.00 N ATOM 1248 CA LYS A 89 20.627 -10.911 -1.058 1.00 0.00 C ATOM 1249 C LYS A 89 19.472 -11.813 -0.634 1.00 0.00 C ATOM 1250 O LYS A 89 19.237 -12.861 -1.235 1.00 0.00 O ATOM 1251 CB LYS A 89 21.899 -11.305 -0.303 1.00 0.00 C ATOM 1252 CG LYS A 89 23.099 -10.436 -0.639 1.00 0.00 C ATOM 1253 CD LYS A 89 23.919 -11.032 -1.771 1.00 0.00 C ATOM 1254 CE LYS A 89 23.528 -10.439 -3.116 1.00 0.00 C ATOM 1255 NZ LYS A 89 23.722 -11.411 -4.228 1.00 0.00 N ATOM 0 H LYS A 89 20.862 -9.073 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 89 20.792 -11.040 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.708 -11.248 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 89 22.139 -12.344 -0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 89 22.760 -9.439 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 89 23.726 -10.322 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 89 24.978 -10.853 -1.588 1.00 0.00 H new ATOM 0 HD3 LYS A 89 23.778 -12.113 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 89 22.484 -10.126 -3.085 1.00 0.00 H new ATOM 0 HE3 LYS A 89 24.123 -9.546 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 23.444 -10.969 -5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 24.723 -11.691 -4.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 23.135 -12.253 -4.060 1.00 0.00 H new ATOM 1269 N SER A 90 18.754 -11.397 0.405 1.00 0.00 N ATOM 1270 CA SER A 90 17.625 -12.169 0.911 1.00 0.00 C ATOM 1271 C SER A 90 16.535 -11.247 1.450 1.00 0.00 C ATOM 1272 O SER A 90 16.724 -10.035 1.549 1.00 0.00 O ATOM 1273 CB SER A 90 18.086 -13.128 2.009 1.00 0.00 C ATOM 1274 OG SER A 90 18.840 -14.199 1.467 1.00 0.00 O ATOM 0 H SER A 90 18.934 -10.531 0.912 1.00 0.00 H new ATOM 0 HA SER A 90 17.212 -12.747 0.084 1.00 0.00 H new ATOM 0 HB2 SER A 90 18.689 -12.587 2.739 1.00 0.00 H new ATOM 0 HB3 SER A 90 17.219 -13.521 2.540 1.00 0.00 H new ATOM 0 HG SER A 90 19.125 -14.797 2.189 1.00 0.00 H new ATOM 1280 N VAL A 91 15.392 -11.832 1.796 1.00 0.00 N ATOM 1281 CA VAL A 91 14.271 -11.065 2.326 1.00 0.00 C ATOM 1282 C VAL A 91 14.190 -11.188 3.844 1.00 0.00 C ATOM 1283 O VAL A 91 14.208 -12.284 4.405 1.00 0.00 O ATOM 1284 CB VAL A 91 12.936 -11.526 1.713 1.00 0.00 C ATOM 1285 CG1 VAL A 91 11.769 -10.802 2.368 1.00 0.00 C ATOM 1286 CG2 VAL A 91 12.936 -11.301 0.208 1.00 0.00 C ATOM 0 H VAL A 91 15.218 -12.834 1.719 1.00 0.00 H new ATOM 0 HA VAL A 91 14.445 -10.023 2.057 1.00 0.00 H new ATOM 0 HB VAL A 91 12.820 -12.594 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.834 -11.141 1.922 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.760 -11.018 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.875 -9.728 2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.985 -11.632 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.074 -10.240 -0.001 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.749 -11.869 -0.245 1.00 0.00 H new ATOM 1296 N PRO A 92 14.098 -10.037 4.526 1.00 0.00 N ATOM 1297 CA PRO A 92 14.011 -9.989 5.989 1.00 0.00 C ATOM 1298 C PRO A 92 12.678 -10.517 6.508 1.00 0.00 C ATOM 1299 O PRO A 92 11.653 -10.418 5.832 1.00 0.00 O ATOM 1300 CB PRO A 92 14.155 -8.498 6.304 1.00 0.00 C ATOM 1301 CG PRO A 92 13.686 -7.803 5.072 1.00 0.00 C ATOM 1302 CD PRO A 92 14.071 -8.694 3.923 1.00 0.00 C ATOM 0 HA PRO A 92 14.768 -10.614 6.463 1.00 0.00 H new ATOM 0 HB2 PRO A 92 13.555 -8.217 7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 92 15.189 -8.240 6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 92 12.608 -7.645 5.099 1.00 0.00 H new ATOM 0 HG3 PRO A 92 14.150 -6.821 4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 92 13.349 -8.634 3.109 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.042 -8.420 3.510 1.00 0.00 H new ATOM 1310 N THR A 93 12.698 -11.078 7.713 1.00 0.00 N ATOM 1311 CA THR A 93 11.491 -11.623 8.322 1.00 0.00 C ATOM 1312 C THR A 93 10.539 -10.510 8.747 1.00 0.00 C ATOM 1313 O THR A 93 9.331 -10.599 8.534 1.00 0.00 O ATOM 1314 CB THR A 93 11.824 -12.493 9.549 1.00 0.00 C ATOM 1315 OG1 THR A 93 10.624 -13.052 10.094 1.00 0.00 O ATOM 1316 CG2 THR A 93 12.539 -11.676 10.614 1.00 0.00 C ATOM 0 H THR A 93 13.537 -11.167 8.286 1.00 0.00 H new ATOM 0 HA THR A 93 11.008 -12.243 7.566 1.00 0.00 H new ATOM 0 HB THR A 93 12.485 -13.298 9.227 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.845 -13.605 10.873 1.00 0.00 H new ATOM 0 HG21 THR A 93 12.764 -12.312 11.470 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.467 -11.277 10.205 1.00 0.00 H new ATOM 0 HG23 THR A 93 11.899 -10.853 10.931 1.00 0.00 H new ATOM 1324 N ASN A 94 11.093 -9.462 9.348 1.00 0.00 N ATOM 1325 CA ASN A 94 10.292 -8.331 9.802 1.00 0.00 C ATOM 1326 C ASN A 94 11.185 -7.174 10.241 1.00 0.00 C ATOM 1327 O ASN A 94 12.341 -7.374 10.610 1.00 0.00 O ATOM 1328 CB ASN A 94 9.382 -8.754 10.957 1.00 0.00 C ATOM 1329 CG ASN A 94 8.746 -7.569 11.656 1.00 0.00 C ATOM 1330 OD1 ASN A 94 7.929 -6.855 11.073 1.00 0.00 O ATOM 1331 ND2 ASN A 94 9.118 -7.354 12.913 1.00 0.00 N ATOM 0 H ASN A 94 12.092 -9.372 9.532 1.00 0.00 H new ATOM 0 HA ASN A 94 9.676 -7.996 8.968 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.600 -9.411 10.577 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.960 -9.331 11.679 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.723 -6.572 13.435 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.798 -7.971 13.356 1.00 0.00 H new ATOM 1338 N GLY A 95 10.638 -5.963 10.200 1.00 0.00 N ATOM 1339 CA GLY A 95 11.398 -4.792 10.597 1.00 0.00 C ATOM 1340 C GLY A 95 12.300 -4.284 9.490 1.00 0.00 C ATOM 1341 O GLY A 95 13.486 -4.036 9.711 1.00 0.00 O ATOM 0 H GLY A 95 9.682 -5.772 9.899 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.711 -4.000 10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.002 -5.034 11.471 1.00 0.00 H new ATOM 1345 N TRP A 96 11.740 -4.130 8.296 1.00 0.00 N ATOM 1346 CA TRP A 96 12.503 -3.650 7.149 1.00 0.00 C ATOM 1347 C TRP A 96 12.222 -2.175 6.887 1.00 0.00 C ATOM 1348 O TRP A 96 11.082 -1.722 6.990 1.00 0.00 O ATOM 1349 CB TRP A 96 12.168 -4.475 5.906 1.00 0.00 C ATOM 1350 CG TRP A 96 12.937 -4.056 4.690 1.00 0.00 C ATOM 1351 CD1 TRP A 96 14.233 -4.368 4.391 1.00 0.00 C ATOM 1352 CD2 TRP A 96 12.459 -3.246 3.610 1.00 0.00 C ATOM 1353 NE1 TRP A 96 14.589 -3.801 3.191 1.00 0.00 N ATOM 1354 CE2 TRP A 96 13.518 -3.108 2.692 1.00 0.00 C ATOM 1355 CE3 TRP A 96 11.238 -2.626 3.329 1.00 0.00 C ATOM 1356 CZ2 TRP A 96 13.391 -2.375 1.515 1.00 0.00 C ATOM 1357 CZ3 TRP A 96 11.115 -1.898 2.161 1.00 0.00 C ATOM 1358 CH2 TRP A 96 12.185 -1.778 1.265 1.00 0.00 C ATOM 0 H TRP A 96 10.760 -4.330 8.096 1.00 0.00 H new ATOM 0 HA TRP A 96 13.563 -3.763 7.376 1.00 0.00 H new ATOM 0 HB2 TRP A 96 12.371 -5.526 6.111 1.00 0.00 H new ATOM 0 HB3 TRP A 96 11.101 -4.391 5.699 1.00 0.00 H new ATOM 0 HD1 TRP A 96 14.883 -4.972 5.007 1.00 0.00 H new ATOM 0 HE1 TRP A 96 15.502 -3.883 2.744 1.00 0.00 H new ATOM 0 HE3 TRP A 96 10.406 -2.714 4.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 14.215 -2.281 0.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 10.177 -1.413 1.935 1.00 0.00 H new ATOM 0 HH2 TRP A 96 12.056 -1.203 0.360 1.00 0.00 H new ATOM 1369 N LYS A 97 13.267 -1.429 6.546 1.00 0.00 N ATOM 1370 CA LYS A 97 13.133 -0.004 6.267 1.00 0.00 C ATOM 1371 C LYS A 97 13.851 0.367 4.973 1.00 0.00 C ATOM 1372 O LYS A 97 15.028 0.053 4.793 1.00 0.00 O ATOM 1373 CB LYS A 97 13.693 0.819 7.428 1.00 0.00 C ATOM 1374 CG LYS A 97 13.129 2.227 7.504 1.00 0.00 C ATOM 1375 CD LYS A 97 13.637 2.967 8.730 1.00 0.00 C ATOM 1376 CE LYS A 97 15.144 3.164 8.678 1.00 0.00 C ATOM 1377 NZ LYS A 97 15.873 2.044 9.334 1.00 0.00 N ATOM 0 H LYS A 97 14.217 -1.788 6.456 1.00 0.00 H new ATOM 0 HA LYS A 97 12.073 0.220 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.482 0.301 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.777 0.876 7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 97 13.404 2.779 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.040 2.183 7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.145 3.937 8.801 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.373 2.409 9.628 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.464 3.246 7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.405 4.103 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 16.346 2.393 10.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 15.199 1.294 9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.584 1.661 8.678 1.00 0.00 H new ATOM 1391 N CYS A 98 13.136 1.038 4.076 1.00 0.00 N ATOM 1392 CA CYS A 98 13.705 1.453 2.800 1.00 0.00 C ATOM 1393 C CYS A 98 14.749 2.547 3.000 1.00 0.00 C ATOM 1394 O CYS A 98 14.906 3.078 4.100 1.00 0.00 O ATOM 1395 CB CYS A 98 12.601 1.951 1.864 1.00 0.00 C ATOM 1396 SG CYS A 98 12.070 3.663 2.187 1.00 0.00 S ATOM 0 H CYS A 98 12.161 1.306 4.210 1.00 0.00 H new ATOM 0 HA CYS A 98 14.192 0.588 2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 98 12.952 1.879 0.835 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.738 1.291 1.954 1.00 0.00 H new ATOM 0 HG CYS A 98 10.774 3.735 2.123 1.00 0.00 H new ATOM 1401 N LYS A 99 15.463 2.879 1.929 1.00 0.00 N ATOM 1402 CA LYS A 99 16.492 3.911 1.985 1.00 0.00 C ATOM 1403 C LYS A 99 15.882 5.271 2.310 1.00 0.00 C ATOM 1404 O LYS A 99 16.084 5.807 3.399 1.00 0.00 O ATOM 1405 CB LYS A 99 17.243 3.982 0.654 1.00 0.00 C ATOM 1406 CG LYS A 99 18.146 5.197 0.530 1.00 0.00 C ATOM 1407 CD LYS A 99 18.947 5.167 -0.762 1.00 0.00 C ATOM 1408 CE LYS A 99 19.773 6.433 -0.934 1.00 0.00 C ATOM 1409 NZ LYS A 99 20.793 6.581 0.141 1.00 0.00 N ATOM 0 H LYS A 99 15.348 2.448 1.012 1.00 0.00 H new ATOM 0 HA LYS A 99 17.193 3.648 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.843 3.080 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 99 16.520 3.992 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 99 17.543 6.105 0.565 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.827 5.234 1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.606 4.298 -0.763 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.270 5.055 -1.609 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.269 6.414 -1.905 1.00 0.00 H new ATOM 0 HE3 LYS A 99 19.113 7.300 -0.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 21.432 7.368 -0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 20.318 6.777 1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 21.342 5.701 0.222 1.00 0.00 H new ATOM 1423 N ASN A 100 15.135 5.822 1.359 1.00 0.00 N ATOM 1424 CA ASN A 100 14.495 7.119 1.546 1.00 0.00 C ATOM 1425 C ASN A 100 14.069 7.312 2.998 1.00 0.00 C ATOM 1426 O ASN A 100 14.168 8.410 3.545 1.00 0.00 O ATOM 1427 CB ASN A 100 13.281 7.250 0.624 1.00 0.00 C ATOM 1428 CG ASN A 100 12.264 8.246 1.146 1.00 0.00 C ATOM 1429 OD1 ASN A 100 11.291 7.871 1.800 1.00 0.00 O ATOM 1430 ND2 ASN A 100 12.485 9.523 0.857 1.00 0.00 N ATOM 0 H ASN A 100 14.958 5.391 0.452 1.00 0.00 H new ATOM 0 HA ASN A 100 15.220 7.893 1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.613 7.559 -0.367 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.806 6.275 0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.835 10.239 1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.305 9.788 0.312 1.00 0.00 H new ATOM 1437 N CYS A 101 13.595 6.236 3.617 1.00 0.00 N ATOM 1438 CA CYS A 101 13.153 6.284 5.005 1.00 0.00 C ATOM 1439 C CYS A 101 14.347 6.321 5.955 1.00 0.00 C ATOM 1440 O CYS A 101 14.401 7.144 6.869 1.00 0.00 O ATOM 1441 CB CYS A 101 12.271 5.076 5.324 1.00 0.00 C ATOM 1442 SG CYS A 101 10.496 5.347 5.012 1.00 0.00 S ATOM 0 H CYS A 101 13.507 5.319 3.178 1.00 0.00 H new ATOM 0 HA CYS A 101 12.572 7.196 5.144 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.608 4.227 4.730 1.00 0.00 H new ATOM 0 HB3 CYS A 101 12.408 4.806 6.371 1.00 0.00 H new ATOM 0 HG CYS A 101 10.180 4.860 3.849 1.00 0.00 H new ATOM 1447 N ARG A 102 15.301 5.424 5.732 1.00 0.00 N ATOM 1448 CA ARG A 102 16.494 5.353 6.568 1.00 0.00 C ATOM 1449 C ARG A 102 17.233 6.688 6.574 1.00 0.00 C ATOM 1450 O ARG A 102 17.893 7.038 7.553 1.00 0.00 O ATOM 1451 CB ARG A 102 17.424 4.244 6.073 1.00 0.00 C ATOM 1452 CG ARG A 102 18.456 4.721 5.063 1.00 0.00 C ATOM 1453 CD ARG A 102 19.554 3.688 4.859 1.00 0.00 C ATOM 1454 NE ARG A 102 20.054 3.686 3.487 1.00 0.00 N ATOM 1455 CZ ARG A 102 21.159 3.054 3.109 1.00 0.00 C ATOM 1456 NH1 ARG A 102 21.876 2.377 3.996 1.00 0.00 N ATOM 1457 NH2 ARG A 102 21.550 3.097 1.841 1.00 0.00 N ATOM 0 H ARG A 102 15.272 4.736 4.980 1.00 0.00 H new ATOM 0 HA ARG A 102 16.181 5.126 7.587 1.00 0.00 H new ATOM 0 HB2 ARG A 102 17.940 3.805 6.927 1.00 0.00 H new ATOM 0 HB3 ARG A 102 16.825 3.453 5.622 1.00 0.00 H new ATOM 0 HG2 ARG A 102 17.967 4.927 4.111 1.00 0.00 H new ATOM 0 HG3 ARG A 102 18.895 5.658 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 102 20.376 3.893 5.544 1.00 0.00 H new ATOM 0 HD3 ARG A 102 19.171 2.698 5.107 1.00 0.00 H new ATOM 0 HE ARG A 102 19.526 4.198 2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 102 21.579 2.341 4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 102 22.724 1.892 3.703 1.00 0.00 H new ATOM 0 HH21 ARG A 102 21.001 3.616 1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 102 22.399 2.611 1.552 1.00 0.00 H new ATOM 1471 N ILE A 103 17.118 7.427 5.476 1.00 0.00 N ATOM 1472 CA ILE A 103 17.776 8.723 5.356 1.00 0.00 C ATOM 1473 C ILE A 103 17.798 9.454 6.694 1.00 0.00 C ATOM 1474 O ILE A 103 16.771 9.578 7.363 1.00 0.00 O ATOM 1475 CB ILE A 103 17.079 9.612 4.309 1.00 0.00 C ATOM 1476 CG1 ILE A 103 17.113 8.942 2.934 1.00 0.00 C ATOM 1477 CG2 ILE A 103 17.740 10.981 4.253 1.00 0.00 C ATOM 1478 CD1 ILE A 103 18.486 8.448 2.537 1.00 0.00 C ATOM 0 H ILE A 103 16.576 7.151 4.657 1.00 0.00 H new ATOM 0 HA ILE A 103 18.799 8.530 5.034 1.00 0.00 H new ATOM 0 HB ILE A 103 16.037 9.744 4.602 1.00 0.00 H new ATOM 0 HG12 ILE A 103 16.418 8.102 2.931 1.00 0.00 H new ATOM 0 HG13 ILE A 103 16.760 9.650 2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 103 17.237 11.598 3.509 1.00 0.00 H new ATOM 0 HG22 ILE A 103 17.668 11.460 5.230 1.00 0.00 H new ATOM 0 HG23 ILE A 103 18.789 10.868 3.981 1.00 0.00 H new ATOM 0 HD11 ILE A 103 18.435 7.984 1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 103 19.180 9.288 2.508 1.00 0.00 H new ATOM 0 HD13 ILE A 103 18.834 7.715 3.265 1.00 0.00 H new