USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 667 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 48 ASN :FLIP amide:sc= -0.267 F(o=-7.4!,f=-5) USER MOD Set 1.2: A 73 ASN : amide:sc= -4.69! C(o=-5!,f=-6.9!) USER MOD Set 2.1: A 62 THR OG1 : rot -70:sc= 1.82 USER MOD Set 2.2: A 95 CYS SG : rot 143:sc= 0.84 USER MOD Set 3.1: A 52 CYS SG : rot 94:sc= 0.112 USER MOD Set 3.2: A 56 ASN : amide:sc= -3.88 K(o=-5.9,f=-7.3!) USER MOD Set 3.3: A 65 CYS SG : rot 145:sc= -2.1 USER MOD Set 4.1: A 32 CYS SG : rot 180:sc= 0.79 USER MOD Set 4.2: A 44 CYS SG : rot -88:sc= -5.56! USER MOD Set 4.3: A 55 ASN : amide:sc= -1.55 X(o=-6.3,f=-6.1) USER MOD Set 5.1: A 8 CYS SG : rot 18:sc= 0.397 USER MOD Set 5.2: A 20 CYS SG : rot 29:sc= 0.121 USER MOD Set 5.3: A 89 TYR OH : rot -116:sc= 0.316 USER MOD Set 5.4: A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= 0.375! (180deg=0.363!) USER MOD Single : A 6 HIS : no HD1:sc= -3.23 K(o=-3.2,f=-3.9!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0656 USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= 1.14 (180deg=1.02) USER MOD Single : A 17 ASN : amide:sc= -1.18! K(o=-1.2!,f=-2) USER MOD Single : A 27 THR OG1 : rot 103:sc= 1.27 USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= 1.3 (180deg=1.22) USER MOD Single : A 36 TYR OH : rot -123:sc= 1.23 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -162:sc= -0.0285 (180deg=-0.216) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot -142:sc= -2.83! USER MOD Single : A 47 ASN : amide:sc= -1.86 K(o=-1.9,f=-2.4) USER MOD Single : A 49 ASN : amide:sc= 0.00101 X(o=0.001,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -152:sc= -6.02! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.42! C(o=-2.4!,f=-3.9!) USER MOD Single : A 67 ASN : amide:sc= -0.0354 K(o=-0.035,f=-1.7!) USER MOD Single : A 70 SER OG : rot -158:sc= -1.63! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -179:sc= -0.821 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -120:sc= 1.2 (180deg=-0.285) USER MOD Single : A 79 CYS SG : rot 91:sc= -1.19 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot 180:sc= -1.11 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 2:sc= 2.07 USER MOD Single : A 87 ASN : amide:sc= -2.19! X(o=-2.2!,f=-2.4) USER MOD Single : A 96 SER OG : rot -45:sc= 0.533 USER MOD Single : A 97 SER OG : rot -157:sc= -1! USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.222 -8.875 3.819 1.00 0.00 N ATOM 27 CA ASP A 3 -11.646 -8.953 2.429 1.00 0.00 C ATOM 28 C ASP A 3 -11.646 -7.576 1.773 1.00 0.00 C ATOM 29 O ASP A 3 -12.559 -6.779 1.944 1.00 0.00 O ATOM 30 CB ASP A 3 -12.998 -9.663 2.259 1.00 0.00 C ATOM 31 CG ASP A 3 -14.177 -8.981 2.921 1.00 0.00 C ATOM 32 OD1 ASP A 3 -14.060 -8.540 4.080 1.00 0.00 O ATOM 33 OD2 ASP A 3 -15.242 -8.892 2.278 1.00 0.00 O ATOM 0 HA ASP A 3 -10.911 -9.570 1.912 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.207 -9.760 1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.912 -10.673 2.660 1.00 0.00 H new ATOM 38 N PRO A 4 -10.563 -7.322 1.026 1.00 0.00 N ATOM 39 CA PRO A 4 -10.281 -6.120 0.221 1.00 0.00 C ATOM 40 C PRO A 4 -11.456 -5.394 -0.451 1.00 0.00 C ATOM 41 O PRO A 4 -11.275 -4.250 -0.834 1.00 0.00 O ATOM 42 CB PRO A 4 -9.435 -6.748 -0.884 1.00 0.00 C ATOM 43 CG PRO A 4 -8.657 -7.823 -0.233 1.00 0.00 C ATOM 44 CD PRO A 4 -9.384 -8.197 1.018 1.00 0.00 C ATOM 0 HA PRO A 4 -9.865 -5.339 0.858 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.064 -7.147 -1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.776 -6.009 -1.340 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.561 -8.684 -0.895 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.647 -7.483 -0.004 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.669 -9.249 1.013 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.765 -8.039 1.901 1.00 0.00 H new ATOM 52 N LYS A 5 -12.623 -6.021 -0.594 1.00 0.00 N ATOM 53 CA LYS A 5 -13.838 -5.395 -1.212 1.00 0.00 C ATOM 54 C LYS A 5 -14.205 -3.978 -0.674 1.00 0.00 C ATOM 55 O LYS A 5 -15.271 -3.455 -0.967 1.00 0.00 O ATOM 56 CB LYS A 5 -15.023 -6.326 -1.033 1.00 0.00 C ATOM 57 CG LYS A 5 -15.323 -6.604 0.421 1.00 0.00 C ATOM 58 CD LYS A 5 -16.388 -5.667 0.973 1.00 0.00 C ATOM 59 CE LYS A 5 -17.136 -6.269 2.161 1.00 0.00 C ATOM 60 NZ LYS A 5 -16.236 -6.590 3.301 1.00 0.00 N ATOM 0 H LYS A 5 -12.774 -6.983 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.590 -5.248 -2.263 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.902 -5.886 -1.505 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.823 -7.267 -1.546 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.656 -7.636 0.532 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.409 -6.499 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.921 -4.731 1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.100 -5.426 0.184 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.903 -5.570 2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.648 -7.176 1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.791 -7.011 4.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.508 -7.265 2.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.779 -5.719 3.638 1.00 0.00 H new ATOM 74 N HIS A 6 -13.324 -3.411 0.125 1.00 0.00 N ATOM 75 CA HIS A 6 -13.467 -2.113 0.783 1.00 0.00 C ATOM 76 C HIS A 6 -13.598 -0.967 -0.222 1.00 0.00 C ATOM 77 O HIS A 6 -13.983 0.144 0.139 1.00 0.00 O ATOM 78 CB HIS A 6 -12.203 -1.868 1.608 1.00 0.00 C ATOM 79 CG HIS A 6 -11.917 -2.855 2.686 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.122 -2.572 3.773 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.262 -4.146 2.808 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.995 -3.655 4.508 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.686 -4.627 3.952 1.00 0.00 N ATOM 0 H HIS A 6 -12.437 -3.863 0.350 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.370 -2.136 1.394 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.350 -1.846 0.929 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.276 -0.879 2.060 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.884 -4.706 2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.419 -3.734 5.418 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.777 -5.577 4.312 1.00 0.00 H new ATOM 92 N VAL A 7 -13.257 -1.273 -1.471 1.00 0.00 N ATOM 93 CA VAL A 7 -13.327 -0.339 -2.615 1.00 0.00 C ATOM 94 C VAL A 7 -12.648 0.996 -2.393 1.00 0.00 C ATOM 95 O VAL A 7 -11.888 1.175 -1.456 1.00 0.00 O ATOM 96 CB VAL A 7 -14.785 -0.106 -3.088 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.556 -1.415 -3.126 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.508 0.910 -2.217 1.00 0.00 C ATOM 0 H VAL A 7 -12.915 -2.198 -1.733 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.762 -0.847 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.735 0.301 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.576 -1.227 -3.461 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.069 -2.104 -3.816 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.577 -1.854 -2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.526 1.044 -2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.536 0.552 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.980 1.863 -2.255 1.00 0.00 H new ATOM 108 N CYS A 8 -12.813 1.863 -3.386 1.00 0.00 N ATOM 109 CA CYS A 8 -12.391 3.243 -3.316 1.00 0.00 C ATOM 110 C CYS A 8 -13.198 4.050 -4.319 1.00 0.00 C ATOM 111 O CYS A 8 -13.558 3.541 -5.381 1.00 0.00 O ATOM 112 CB CYS A 8 -10.897 3.345 -3.599 1.00 0.00 C ATOM 113 SG CYS A 8 -10.438 3.044 -5.324 1.00 0.00 S ATOM 0 H CYS A 8 -13.251 1.615 -4.273 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.567 3.642 -2.317 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.553 4.339 -3.313 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.370 2.631 -2.966 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.490 3.157 -6.079 1.00 0.00 H new ATOM 119 N VAL A 9 -13.509 5.284 -3.979 1.00 0.00 N ATOM 120 CA VAL A 9 -14.290 6.127 -4.869 1.00 0.00 C ATOM 121 C VAL A 9 -13.619 7.475 -5.066 1.00 0.00 C ATOM 122 O VAL A 9 -13.365 7.902 -6.190 1.00 0.00 O ATOM 123 CB VAL A 9 -15.721 6.359 -4.328 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.506 7.286 -5.245 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.456 5.037 -4.161 1.00 0.00 C ATOM 0 H VAL A 9 -13.237 5.725 -3.101 1.00 0.00 H new ATOM 0 HA VAL A 9 -14.352 5.603 -5.823 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.635 6.834 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.508 7.433 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.997 8.248 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -16.575 6.842 -6.238 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.460 5.224 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.522 4.533 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.913 4.405 -3.458 1.00 0.00 H new ATOM 135 N ASP A 10 -13.318 8.118 -3.957 1.00 0.00 N ATOM 136 CA ASP A 10 -12.851 9.494 -3.957 1.00 0.00 C ATOM 137 C ASP A 10 -11.332 9.543 -3.951 1.00 0.00 C ATOM 138 O ASP A 10 -10.722 10.016 -4.910 1.00 0.00 O ATOM 139 CB ASP A 10 -13.401 10.238 -2.729 1.00 0.00 C ATOM 140 CG ASP A 10 -14.357 9.398 -1.893 1.00 0.00 C ATOM 141 OD1 ASP A 10 -13.946 8.309 -1.420 1.00 0.00 O ATOM 142 OD2 ASP A 10 -15.513 9.821 -1.694 1.00 0.00 O ATOM 0 H ASP A 10 -13.389 7.703 -3.028 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.213 9.980 -4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.568 10.558 -2.103 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.916 11.140 -3.060 1.00 0.00 H new ATOM 147 N THR A 11 -10.739 9.051 -2.866 1.00 0.00 N ATOM 148 CA THR A 11 -9.282 8.966 -2.711 1.00 0.00 C ATOM 149 C THR A 11 -8.567 10.257 -3.131 1.00 0.00 C ATOM 150 O THR A 11 -7.518 10.224 -3.775 1.00 0.00 O ATOM 151 CB THR A 11 -8.716 7.749 -3.474 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.016 7.830 -4.873 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.298 6.462 -2.904 1.00 0.00 C ATOM 0 H THR A 11 -11.256 8.697 -2.062 1.00 0.00 H new ATOM 0 HA THR A 11 -9.087 8.831 -1.647 1.00 0.00 H new ATOM 0 HB THR A 11 -7.633 7.749 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.645 7.048 -5.333 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.894 5.608 -3.448 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.034 6.379 -1.850 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.383 6.477 -3.006 1.00 0.00 H new ATOM 161 N ARG A 12 -9.148 11.395 -2.756 1.00 0.00 N ATOM 162 CA ARG A 12 -8.538 12.692 -3.023 1.00 0.00 C ATOM 163 C ARG A 12 -7.580 13.058 -1.901 1.00 0.00 C ATOM 164 O ARG A 12 -6.690 13.892 -2.068 1.00 0.00 O ATOM 165 CB ARG A 12 -9.614 13.759 -3.188 1.00 0.00 C ATOM 166 CG ARG A 12 -10.434 13.555 -4.443 1.00 0.00 C ATOM 167 CD ARG A 12 -11.750 14.297 -4.386 1.00 0.00 C ATOM 168 NE ARG A 12 -11.591 15.754 -4.387 1.00 0.00 N ATOM 169 CZ ARG A 12 -12.577 16.597 -4.092 1.00 0.00 C ATOM 170 NH1 ARG A 12 -13.742 16.127 -3.660 1.00 0.00 N ATOM 171 NH2 ARG A 12 -12.397 17.907 -4.200 1.00 0.00 N ATOM 0 H ARG A 12 -10.041 11.443 -2.266 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.973 12.633 -3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.273 13.746 -2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.146 14.743 -3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.864 13.894 -5.308 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.623 12.491 -4.583 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.362 14.004 -5.239 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.290 13.997 -3.488 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.678 16.141 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.879 15.122 -3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.499 16.771 -3.433 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.498 18.274 -4.511 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.158 18.547 -3.972 1.00 0.00 H new ATOM 185 N ASP A 13 -7.768 12.403 -0.760 1.00 0.00 N ATOM 186 CA ASP A 13 -6.878 12.556 0.393 1.00 0.00 C ATOM 187 C ASP A 13 -5.561 11.848 0.132 1.00 0.00 C ATOM 188 O ASP A 13 -4.625 11.939 0.923 1.00 0.00 O ATOM 189 CB ASP A 13 -7.501 11.939 1.654 1.00 0.00 C ATOM 190 CG ASP A 13 -8.829 12.550 2.034 1.00 0.00 C ATOM 191 OD1 ASP A 13 -8.835 13.553 2.776 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.876 12.009 1.618 1.00 0.00 O ATOM 0 H ASP A 13 -8.538 11.752 -0.605 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.718 13.623 0.545 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.635 10.869 1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.806 12.054 2.486 1.00 0.00 H new ATOM 197 N ILE A 14 -5.514 11.143 -0.985 1.00 0.00 N ATOM 198 CA ILE A 14 -4.415 10.251 -1.308 1.00 0.00 C ATOM 199 C ILE A 14 -3.259 11.021 -1.964 1.00 0.00 C ATOM 200 O ILE A 14 -3.364 11.496 -3.098 1.00 0.00 O ATOM 201 CB ILE A 14 -4.926 9.091 -2.212 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.652 8.004 -1.384 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.786 8.458 -2.996 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.691 8.510 -0.399 1.00 0.00 C ATOM 0 H ILE A 14 -6.243 11.174 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.025 9.817 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.637 9.527 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.138 7.313 -2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.904 7.433 -0.834 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.175 7.652 -3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.318 9.211 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.046 8.057 -2.303 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.136 7.665 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.216 9.175 0.322 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.468 9.053 -0.937 1.00 0.00 H new ATOM 216 N PRO A 15 -2.164 11.192 -1.206 1.00 0.00 N ATOM 217 CA PRO A 15 -0.961 11.939 -1.629 1.00 0.00 C ATOM 218 C PRO A 15 -0.199 11.300 -2.788 1.00 0.00 C ATOM 219 O PRO A 15 -0.584 10.250 -3.304 1.00 0.00 O ATOM 220 CB PRO A 15 -0.078 11.935 -0.383 1.00 0.00 C ATOM 221 CG PRO A 15 -0.982 11.587 0.741 1.00 0.00 C ATOM 222 CD PRO A 15 -2.039 10.703 0.170 1.00 0.00 C ATOM 0 HA PRO A 15 -1.242 12.927 -1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.730 11.209 -0.476 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.385 12.909 -0.227 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.436 11.078 1.535 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.420 12.484 1.180 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.748 9.653 0.201 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.978 10.790 0.717 1.00 0.00 H new ATOM 230 N LYS A 16 0.897 11.947 -3.190 1.00 0.00 N ATOM 231 CA LYS A 16 1.749 11.418 -4.248 1.00 0.00 C ATOM 232 C LYS A 16 2.543 10.225 -3.735 1.00 0.00 C ATOM 233 O LYS A 16 2.812 10.118 -2.533 1.00 0.00 O ATOM 234 CB LYS A 16 2.709 12.488 -4.792 1.00 0.00 C ATOM 235 CG LYS A 16 4.159 12.306 -4.377 1.00 0.00 C ATOM 236 CD LYS A 16 5.104 13.119 -5.251 1.00 0.00 C ATOM 237 CE LYS A 16 4.768 14.599 -5.235 1.00 0.00 C ATOM 238 NZ LYS A 16 5.863 15.415 -4.655 1.00 0.00 N ATOM 0 H LYS A 16 1.212 12.835 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 16 1.101 11.101 -5.065 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.653 12.488 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.369 13.467 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.279 12.605 -3.336 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.425 11.251 -4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.128 12.977 -4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.058 12.749 -6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.566 14.935 -6.252 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.856 14.757 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.730 16.412 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.851 15.326 -3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.777 15.080 -5.021 1.00 0.00 H new ATOM 252 N ASN A 17 2.918 9.347 -4.664 1.00 0.00 N ATOM 253 CA ASN A 17 3.644 8.108 -4.354 1.00 0.00 C ATOM 254 C ASN A 17 2.844 7.235 -3.401 1.00 0.00 C ATOM 255 O ASN A 17 3.361 6.275 -2.821 1.00 0.00 O ATOM 256 CB ASN A 17 5.014 8.425 -3.764 1.00 0.00 C ATOM 257 CG ASN A 17 5.870 9.251 -4.705 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.939 8.985 -5.907 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.494 10.289 -4.170 1.00 0.00 N ATOM 0 H ASN A 17 2.728 9.472 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 17 3.785 7.556 -5.283 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.887 8.964 -2.825 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.530 7.494 -3.530 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.058 10.903 -4.757 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.411 10.474 -3.170 1.00 0.00 H new ATOM 266 N ALA A 18 1.580 7.580 -3.243 1.00 0.00 N ATOM 267 CA ALA A 18 0.690 6.851 -2.377 1.00 0.00 C ATOM 268 C ALA A 18 -0.432 6.232 -3.185 1.00 0.00 C ATOM 269 O ALA A 18 -1.002 6.867 -4.076 1.00 0.00 O ATOM 270 CB ALA A 18 0.126 7.765 -1.298 1.00 0.00 C ATOM 0 H ALA A 18 1.147 8.374 -3.714 1.00 0.00 H new ATOM 0 HA ALA A 18 1.253 6.054 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.544 7.196 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.943 8.172 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.425 8.582 -1.764 1.00 0.00 H new ATOM 276 N GLY A 19 -0.721 4.985 -2.885 1.00 0.00 N ATOM 277 CA GLY A 19 -1.812 4.297 -3.527 1.00 0.00 C ATOM 278 C GLY A 19 -3.137 4.641 -2.872 1.00 0.00 C ATOM 279 O GLY A 19 -3.161 5.114 -1.731 1.00 0.00 O ATOM 0 H GLY A 19 -0.212 4.428 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.844 4.566 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.647 3.221 -3.477 1.00 0.00 H new ATOM 283 N CYS A 20 -4.232 4.422 -3.573 1.00 0.00 N ATOM 284 CA CYS A 20 -5.531 4.820 -3.075 1.00 0.00 C ATOM 285 C CYS A 20 -6.350 3.612 -2.606 1.00 0.00 C ATOM 286 O CYS A 20 -6.448 2.606 -3.311 1.00 0.00 O ATOM 287 CB CYS A 20 -6.270 5.579 -4.171 1.00 0.00 C ATOM 288 SG CYS A 20 -6.580 4.605 -5.664 1.00 0.00 S ATOM 0 H CYS A 20 -4.247 3.971 -4.488 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.392 5.467 -2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.223 5.931 -3.775 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.691 6.462 -4.440 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.682 3.348 -5.349 1.00 0.00 H new ATOM 294 N PHE A 21 -6.922 3.716 -1.407 1.00 0.00 N ATOM 295 CA PHE A 21 -7.715 2.643 -0.822 1.00 0.00 C ATOM 296 C PHE A 21 -8.846 3.234 0.008 1.00 0.00 C ATOM 297 O PHE A 21 -8.783 4.388 0.400 1.00 0.00 O ATOM 298 CB PHE A 21 -6.808 1.765 0.040 1.00 0.00 C ATOM 299 CG PHE A 21 -7.484 0.606 0.716 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.054 -0.422 -0.020 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.519 0.534 2.099 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.645 -1.500 0.616 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.112 -0.539 2.735 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.669 -1.557 1.989 1.00 0.00 C ATOM 0 H PHE A 21 -6.847 4.545 -0.818 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.154 2.031 -1.609 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -6.003 1.379 -0.586 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.346 2.390 0.804 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.037 -0.381 -1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -7.078 1.326 2.686 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.087 -2.295 0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.140 -0.581 3.814 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.125 -2.401 2.485 1.00 0.00 H new ATOM 314 N ARG A 22 -9.918 2.487 0.176 1.00 0.00 N ATOM 315 CA ARG A 22 -10.952 2.833 1.131 1.00 0.00 C ATOM 316 C ARG A 22 -11.167 1.659 2.048 1.00 0.00 C ATOM 317 O ARG A 22 -10.970 0.536 1.629 1.00 0.00 O ATOM 318 CB ARG A 22 -12.267 3.162 0.449 1.00 0.00 C ATOM 319 CG ARG A 22 -12.892 4.417 1.021 1.00 0.00 C ATOM 320 CD ARG A 22 -13.629 5.243 -0.013 1.00 0.00 C ATOM 321 NE ARG A 22 -14.883 4.620 -0.424 1.00 0.00 N ATOM 322 CZ ARG A 22 -16.000 5.310 -0.671 1.00 0.00 C ATOM 323 NH1 ARG A 22 -15.964 6.637 -0.745 1.00 0.00 N ATOM 324 NH2 ARG A 22 -17.150 4.676 -0.877 1.00 0.00 N ATOM 0 H ARG A 22 -10.097 1.627 -0.342 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.626 3.716 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.100 3.292 -0.620 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.957 2.326 0.565 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.585 4.140 1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.112 5.028 1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.833 6.233 0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.991 5.383 -0.886 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.908 3.606 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.082 7.131 -0.613 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.819 7.161 -0.934 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.183 3.657 -0.847 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.999 5.209 -1.065 1.00 0.00 H new ATOM 338 N ASP A 23 -11.507 1.904 3.296 1.00 0.00 N ATOM 339 CA ASP A 23 -11.867 0.811 4.189 1.00 0.00 C ATOM 340 C ASP A 23 -13.375 0.557 4.103 1.00 0.00 C ATOM 341 O ASP A 23 -14.086 1.365 3.505 1.00 0.00 O ATOM 342 CB ASP A 23 -11.448 1.134 5.626 1.00 0.00 C ATOM 343 CG ASP A 23 -11.775 0.017 6.588 1.00 0.00 C ATOM 344 OD1 ASP A 23 -11.121 -1.041 6.520 1.00 0.00 O ATOM 345 OD2 ASP A 23 -12.709 0.181 7.402 1.00 0.00 O ATOM 0 H ASP A 23 -11.543 2.833 3.715 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.340 -0.093 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.376 1.331 5.653 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.948 2.047 5.950 1.00 0.00 H new ATOM 350 N ASP A 24 -13.869 -0.542 4.684 1.00 0.00 N ATOM 351 CA ASP A 24 -15.309 -0.850 4.645 1.00 0.00 C ATOM 352 C ASP A 24 -16.121 0.324 5.181 1.00 0.00 C ATOM 353 O ASP A 24 -17.247 0.574 4.748 1.00 0.00 O ATOM 354 CB ASP A 24 -15.647 -2.091 5.481 1.00 0.00 C ATOM 355 CG ASP A 24 -14.911 -3.336 5.041 1.00 0.00 C ATOM 356 OD1 ASP A 24 -15.350 -3.990 4.066 1.00 0.00 O ATOM 357 OD2 ASP A 24 -13.890 -3.667 5.677 1.00 0.00 O ATOM 0 H ASP A 24 -13.303 -1.228 5.183 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.563 -1.042 3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.411 -1.890 6.526 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -16.720 -2.275 5.426 1.00 0.00 H new ATOM 362 N ASP A 25 -15.517 1.046 6.121 1.00 0.00 N ATOM 363 CA ASP A 25 -16.150 2.193 6.768 1.00 0.00 C ATOM 364 C ASP A 25 -16.385 3.340 5.780 1.00 0.00 C ATOM 365 O ASP A 25 -17.185 4.242 6.035 1.00 0.00 O ATOM 366 CB ASP A 25 -15.261 2.667 7.927 1.00 0.00 C ATOM 367 CG ASP A 25 -15.748 3.949 8.573 1.00 0.00 C ATOM 368 OD1 ASP A 25 -16.687 3.893 9.384 1.00 0.00 O ATOM 369 OD2 ASP A 25 -15.173 5.018 8.283 1.00 0.00 O ATOM 0 H ASP A 25 -14.573 0.852 6.456 1.00 0.00 H new ATOM 0 HA ASP A 25 -17.125 1.884 7.146 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -15.213 1.883 8.683 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -14.246 2.817 7.559 1.00 0.00 H new ATOM 374 N GLY A 26 -15.698 3.292 4.648 1.00 0.00 N ATOM 375 CA GLY A 26 -15.801 4.352 3.665 1.00 0.00 C ATOM 376 C GLY A 26 -14.730 5.394 3.855 1.00 0.00 C ATOM 377 O GLY A 26 -14.641 6.357 3.093 1.00 0.00 O ATOM 0 H GLY A 26 -15.067 2.533 4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.723 3.929 2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.782 4.821 3.737 1.00 0.00 H new ATOM 381 N THR A 27 -13.912 5.202 4.875 1.00 0.00 N ATOM 382 CA THR A 27 -12.764 6.056 5.080 1.00 0.00 C ATOM 383 C THR A 27 -11.668 5.704 4.095 1.00 0.00 C ATOM 384 O THR A 27 -11.195 4.568 4.054 1.00 0.00 O ATOM 385 CB THR A 27 -12.239 5.972 6.525 1.00 0.00 C ATOM 386 OG1 THR A 27 -13.212 6.524 7.422 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.921 6.722 6.683 1.00 0.00 C ATOM 0 H THR A 27 -14.024 4.464 5.570 1.00 0.00 H new ATOM 0 HA THR A 27 -13.081 7.085 4.908 1.00 0.00 H new ATOM 0 HB THR A 27 -12.064 4.922 6.761 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.683 5.797 7.881 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.579 6.643 7.715 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.174 6.289 6.018 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.067 7.772 6.429 1.00 0.00 H new ATOM 395 N LYS A 28 -11.296 6.673 3.275 1.00 0.00 N ATOM 396 CA LYS A 28 -10.277 6.452 2.271 1.00 0.00 C ATOM 397 C LYS A 28 -8.916 6.516 2.922 1.00 0.00 C ATOM 398 O LYS A 28 -8.586 7.485 3.612 1.00 0.00 O ATOM 399 CB LYS A 28 -10.337 7.492 1.155 1.00 0.00 C ATOM 400 CG LYS A 28 -11.726 8.003 0.846 1.00 0.00 C ATOM 401 CD LYS A 28 -11.666 9.408 0.276 1.00 0.00 C ATOM 402 CE LYS A 28 -12.689 10.332 0.918 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.236 10.832 2.241 1.00 0.00 N ATOM 0 H LYS A 28 -11.685 7.616 3.287 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.454 5.471 1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.706 8.337 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.913 7.059 0.249 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.214 7.337 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.331 7.999 1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.666 9.816 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.838 9.370 -0.800 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.879 11.177 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.634 9.801 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.036 11.272 2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.871 10.039 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.483 11.537 2.107 1.00 0.00 H new ATOM 417 N GLU A 29 -8.145 5.487 2.706 1.00 0.00 N ATOM 418 CA GLU A 29 -6.809 5.418 3.218 1.00 0.00 C ATOM 419 C GLU A 29 -5.809 5.554 2.097 1.00 0.00 C ATOM 420 O GLU A 29 -6.149 5.468 0.914 1.00 0.00 O ATOM 421 CB GLU A 29 -6.572 4.103 3.926 1.00 0.00 C ATOM 422 CG GLU A 29 -7.444 3.905 5.149 1.00 0.00 C ATOM 423 CD GLU A 29 -7.126 2.618 5.882 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.594 1.547 5.446 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.399 2.677 6.896 1.00 0.00 O ATOM 0 H GLU A 29 -8.429 4.669 2.167 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.682 6.237 3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.751 3.286 3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.525 4.044 4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.312 4.748 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.492 3.899 4.848 1.00 0.00 H new ATOM 432 N TRP A 30 -4.578 5.764 2.484 1.00 0.00 N ATOM 433 CA TRP A 30 -3.484 5.822 1.555 1.00 0.00 C ATOM 434 C TRP A 30 -2.249 5.267 2.221 1.00 0.00 C ATOM 435 O TRP A 30 -2.085 5.351 3.439 1.00 0.00 O ATOM 436 CB TRP A 30 -3.240 7.250 1.091 1.00 0.00 C ATOM 437 CG TRP A 30 -3.072 8.202 2.223 1.00 0.00 C ATOM 438 CD1 TRP A 30 -4.059 8.727 2.994 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.843 8.734 2.715 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.520 9.584 3.922 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.160 9.596 3.775 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.507 8.563 2.358 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.185 10.296 4.476 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.458 9.252 3.054 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.114 10.109 4.105 1.00 0.00 C ATOM 0 H TRP A 30 -4.307 5.900 3.458 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.728 5.226 0.675 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.349 7.277 0.464 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -4.076 7.574 0.471 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.111 8.504 2.893 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.047 10.123 4.609 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.234 7.901 1.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.446 10.963 5.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.497 9.130 2.785 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.895 10.634 4.635 1.00 0.00 H new ATOM 456 N ARG A 31 -1.404 4.685 1.422 1.00 0.00 N ATOM 457 CA ARG A 31 -0.193 4.069 1.892 1.00 0.00 C ATOM 458 C ARG A 31 0.910 4.429 0.964 1.00 0.00 C ATOM 459 O ARG A 31 0.683 4.985 -0.108 1.00 0.00 O ATOM 460 CB ARG A 31 -0.324 2.557 1.991 1.00 0.00 C ATOM 461 CG ARG A 31 -1.406 2.134 2.950 1.00 0.00 C ATOM 462 CD ARG A 31 -1.610 0.641 2.947 1.00 0.00 C ATOM 463 NE ARG A 31 -2.642 0.233 3.892 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.463 -0.782 3.679 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.336 -1.498 2.579 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.399 -1.085 4.566 1.00 0.00 N ATOM 0 H ARG A 31 -1.536 4.623 0.412 1.00 0.00 H new ATOM 0 HA ARG A 31 0.018 4.435 2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.538 2.149 1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.628 2.133 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.147 2.463 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.340 2.628 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.886 0.314 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.672 0.146 3.197 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.736 0.757 4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.609 -1.267 1.901 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.964 -2.283 2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.490 -0.534 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.029 -1.869 4.395 1.00 0.00 H new ATOM 480 N CYS A 32 2.087 4.077 1.347 1.00 0.00 N ATOM 481 CA CYS A 32 3.244 4.481 0.616 1.00 0.00 C ATOM 482 C CYS A 32 3.713 3.267 -0.114 1.00 0.00 C ATOM 483 O CYS A 32 3.842 2.199 0.471 1.00 0.00 O ATOM 484 CB CYS A 32 4.324 4.968 1.573 1.00 0.00 C ATOM 485 SG CYS A 32 3.710 5.381 3.225 1.00 0.00 S ATOM 0 H CYS A 32 2.278 3.505 2.170 1.00 0.00 H new ATOM 0 HA CYS A 32 3.020 5.298 -0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.090 4.198 1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.805 5.847 1.145 1.00 0.00 H new ATOM 0 HG CYS A 32 4.699 5.783 3.968 1.00 0.00 H new ATOM 491 N LEU A 33 3.856 3.460 -1.416 1.00 0.00 N ATOM 492 CA LEU A 33 4.113 2.402 -2.381 1.00 0.00 C ATOM 493 C LEU A 33 5.191 1.416 -1.945 1.00 0.00 C ATOM 494 O LEU A 33 5.831 1.588 -0.919 1.00 0.00 O ATOM 495 CB LEU A 33 4.477 3.055 -3.700 1.00 0.00 C ATOM 496 CG LEU A 33 3.421 2.904 -4.787 1.00 0.00 C ATOM 497 CD1 LEU A 33 2.016 2.981 -4.198 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.604 3.985 -5.828 1.00 0.00 C ATOM 0 H LEU A 33 3.795 4.384 -1.843 1.00 0.00 H new ATOM 0 HA LEU A 33 3.208 1.802 -2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.656 4.116 -3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.413 2.627 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 33 3.542 1.926 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.281 2.870 -4.995 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.883 2.182 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.879 3.946 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.847 3.874 -6.604 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.502 4.963 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.595 3.898 -6.273 1.00 0.00 H new ATOM 510 N LEU A 34 5.400 0.388 -2.739 1.00 0.00 N ATOM 511 CA LEU A 34 6.305 -0.675 -2.350 1.00 0.00 C ATOM 512 C LEU A 34 7.710 -0.147 -2.154 1.00 0.00 C ATOM 513 O LEU A 34 8.332 0.369 -3.079 1.00 0.00 O ATOM 514 CB LEU A 34 6.281 -1.801 -3.367 1.00 0.00 C ATOM 515 CG LEU A 34 4.908 -2.430 -3.554 1.00 0.00 C ATOM 516 CD1 LEU A 34 5.011 -3.673 -4.394 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.269 -2.745 -2.211 1.00 0.00 C ATOM 0 H LEU A 34 4.960 0.265 -3.651 1.00 0.00 H new ATOM 0 HA LEU A 34 5.965 -1.077 -1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.629 -1.419 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.985 -2.573 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 34 4.271 -1.712 -4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.021 -4.111 -4.519 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.421 -3.419 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.666 -4.392 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.289 -3.194 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.902 -3.442 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.158 -1.825 -1.636 1.00 0.00 H new ATOM 529 N GLY A 35 8.185 -0.261 -0.931 1.00 0.00 N ATOM 530 CA GLY A 35 9.484 0.268 -0.586 1.00 0.00 C ATOM 531 C GLY A 35 9.473 1.771 -0.398 1.00 0.00 C ATOM 532 O GLY A 35 10.516 2.410 -0.419 1.00 0.00 O ATOM 0 H GLY A 35 7.691 -0.714 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.833 -0.206 0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.197 0.009 -1.369 1.00 0.00 H new ATOM 536 N TYR A 36 8.292 2.342 -0.249 1.00 0.00 N ATOM 537 CA TYR A 36 8.150 3.759 0.026 1.00 0.00 C ATOM 538 C TYR A 36 7.922 4.021 1.514 1.00 0.00 C ATOM 539 O TYR A 36 7.827 3.092 2.320 1.00 0.00 O ATOM 540 CB TYR A 36 6.989 4.337 -0.777 1.00 0.00 C ATOM 541 CG TYR A 36 7.276 4.508 -2.249 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.707 3.448 -3.035 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.125 5.740 -2.847 1.00 0.00 C ATOM 544 CE1 TYR A 36 7.978 3.620 -4.375 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.400 5.927 -4.179 1.00 0.00 C ATOM 546 CZ TYR A 36 7.824 4.863 -4.945 1.00 0.00 C ATOM 547 OH TYR A 36 8.106 5.051 -6.277 1.00 0.00 O ATOM 0 H TYR A 36 7.407 1.838 -0.315 1.00 0.00 H new ATOM 0 HA TYR A 36 9.079 4.247 -0.269 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.123 3.686 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.718 5.306 -0.357 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.832 2.472 -2.589 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.783 6.576 -2.255 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.309 2.785 -4.974 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.284 6.904 -4.625 1.00 0.00 H new ATOM 0 HH TYR A 36 8.778 5.758 -6.373 1.00 0.00 H new ATOM 557 N LYS A 37 7.826 5.298 1.861 1.00 0.00 N ATOM 558 CA LYS A 37 7.630 5.728 3.236 1.00 0.00 C ATOM 559 C LYS A 37 7.144 7.174 3.235 1.00 0.00 C ATOM 560 O LYS A 37 7.355 7.887 2.262 1.00 0.00 O ATOM 561 CB LYS A 37 8.951 5.628 4.004 1.00 0.00 C ATOM 562 CG LYS A 37 9.944 6.731 3.658 1.00 0.00 C ATOM 563 CD LYS A 37 11.229 6.598 4.450 1.00 0.00 C ATOM 564 CE LYS A 37 12.046 7.879 4.409 1.00 0.00 C ATOM 565 NZ LYS A 37 13.265 7.787 5.256 1.00 0.00 N ATOM 0 H LYS A 37 7.882 6.066 1.193 1.00 0.00 H new ATOM 0 HA LYS A 37 6.891 5.089 3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.743 5.661 5.073 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.409 4.661 3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.169 6.697 2.592 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.492 7.703 3.858 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.995 6.348 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.821 5.775 4.049 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.334 8.093 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.431 8.713 4.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.794 8.680 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.989 7.608 6.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.865 7.008 4.918 1.00 0.00 H new ATOM 579 N LYS A 38 6.470 7.598 4.296 1.00 0.00 N ATOM 580 CA LYS A 38 6.082 8.987 4.435 1.00 0.00 C ATOM 581 C LYS A 38 7.301 9.892 4.546 1.00 0.00 C ATOM 582 O LYS A 38 8.106 9.756 5.465 1.00 0.00 O ATOM 583 CB LYS A 38 5.188 9.148 5.647 1.00 0.00 C ATOM 584 CG LYS A 38 3.856 8.466 5.455 1.00 0.00 C ATOM 585 CD LYS A 38 2.737 9.380 5.855 1.00 0.00 C ATOM 586 CE LYS A 38 2.456 9.316 7.349 1.00 0.00 C ATOM 587 NZ LYS A 38 1.840 8.022 7.752 1.00 0.00 N ATOM 0 H LYS A 38 6.183 6.998 5.069 1.00 0.00 H new ATOM 0 HA LYS A 38 5.532 9.283 3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.686 8.733 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.029 10.208 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.738 8.172 4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.819 7.553 6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.988 10.404 5.577 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.835 9.112 5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.387 9.460 7.898 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.792 10.134 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.392 8.126 8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.122 7.747 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.575 7.288 7.801 1.00 0.00 H new ATOM 601 N GLY A 39 7.432 10.812 3.601 1.00 0.00 N ATOM 602 CA GLY A 39 8.594 11.672 3.571 1.00 0.00 C ATOM 603 C GLY A 39 8.244 13.139 3.503 1.00 0.00 C ATOM 604 O GLY A 39 8.823 13.959 4.215 1.00 0.00 O ATOM 0 H GLY A 39 6.755 10.977 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.197 11.489 4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.209 11.411 2.710 1.00 0.00 H new ATOM 608 N GLU A 40 7.287 13.470 2.648 1.00 0.00 N ATOM 609 CA GLU A 40 6.953 14.863 2.375 1.00 0.00 C ATOM 610 C GLU A 40 6.142 15.475 3.518 1.00 0.00 C ATOM 611 O GLU A 40 6.235 16.672 3.797 1.00 0.00 O ATOM 612 CB GLU A 40 6.151 14.965 1.073 1.00 0.00 C ATOM 613 CG GLU A 40 6.514 13.912 0.035 1.00 0.00 C ATOM 614 CD GLU A 40 7.060 14.513 -1.234 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.279 14.768 -1.300 1.00 0.00 O ATOM 616 OE2 GLU A 40 6.270 14.732 -2.170 1.00 0.00 O ATOM 0 H GLU A 40 6.727 12.793 2.130 1.00 0.00 H new ATOM 0 HA GLU A 40 7.887 15.416 2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.089 14.880 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.305 15.954 0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.253 13.231 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.630 13.318 -0.199 1.00 0.00 H new ATOM 623 N GLY A 41 5.366 14.632 4.184 1.00 0.00 N ATOM 624 CA GLY A 41 4.449 15.098 5.209 1.00 0.00 C ATOM 625 C GLY A 41 3.016 14.881 4.788 1.00 0.00 C ATOM 626 O GLY A 41 2.460 15.686 4.044 1.00 0.00 O ATOM 0 H GLY A 41 5.354 13.623 4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.642 14.570 6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.620 16.157 5.401 1.00 0.00 H new ATOM 630 N ASN A 42 2.419 13.794 5.275 1.00 0.00 N ATOM 631 CA ASN A 42 1.166 13.289 4.735 1.00 0.00 C ATOM 632 C ASN A 42 1.356 12.997 3.260 1.00 0.00 C ATOM 633 O ASN A 42 0.584 13.452 2.419 1.00 0.00 O ATOM 634 CB ASN A 42 0.017 14.279 4.925 1.00 0.00 C ATOM 635 CG ASN A 42 -0.445 14.386 6.364 1.00 0.00 C ATOM 636 OD1 ASN A 42 0.098 15.161 7.149 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.473 13.626 6.712 1.00 0.00 N ATOM 0 H ASN A 42 2.791 13.245 6.050 1.00 0.00 H new ATOM 0 HA ASN A 42 0.900 12.381 5.276 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.332 15.263 4.577 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.824 13.974 4.302 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.842 13.671 7.662 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.895 12.996 6.030 1.00 0.00 H new ATOM 644 N THR A 43 2.405 12.240 2.959 1.00 0.00 N ATOM 645 CA THR A 43 2.817 11.983 1.591 1.00 0.00 C ATOM 646 C THR A 43 3.800 10.833 1.593 1.00 0.00 C ATOM 647 O THR A 43 4.289 10.449 2.654 1.00 0.00 O ATOM 648 CB THR A 43 3.512 13.192 0.952 1.00 0.00 C ATOM 649 OG1 THR A 43 3.224 14.396 1.670 1.00 0.00 O ATOM 650 CG2 THR A 43 3.081 13.356 -0.488 1.00 0.00 C ATOM 0 H THR A 43 2.992 11.788 3.660 1.00 0.00 H new ATOM 0 HA THR A 43 1.920 11.758 1.014 1.00 0.00 H new ATOM 0 HB THR A 43 4.586 13.007 0.991 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.115 15.136 1.037 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.585 14.219 -0.923 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.344 12.460 -1.051 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.002 13.507 -0.530 1.00 0.00 H new ATOM 658 N CYS A 44 4.122 10.311 0.428 1.00 0.00 N ATOM 659 CA CYS A 44 5.001 9.173 0.348 1.00 0.00 C ATOM 660 C CYS A 44 6.181 9.468 -0.564 1.00 0.00 C ATOM 661 O CYS A 44 6.080 10.264 -1.496 1.00 0.00 O ATOM 662 CB CYS A 44 4.221 7.964 -0.144 1.00 0.00 C ATOM 663 SG CYS A 44 2.666 7.706 0.740 1.00 0.00 S ATOM 0 H CYS A 44 3.788 10.658 -0.471 1.00 0.00 H new ATOM 0 HA CYS A 44 5.398 8.957 1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.011 8.084 -1.207 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.841 7.074 -0.041 1.00 0.00 H new ATOM 0 HG CYS A 44 2.879 6.962 1.785 1.00 0.00 H new ATOM 669 N VAL A 45 7.295 8.837 -0.255 1.00 0.00 N ATOM 670 CA VAL A 45 8.525 8.970 -1.004 1.00 0.00 C ATOM 671 C VAL A 45 9.228 7.633 -1.014 1.00 0.00 C ATOM 672 O VAL A 45 8.910 6.755 -0.216 1.00 0.00 O ATOM 673 CB VAL A 45 9.484 10.011 -0.389 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.919 11.419 -0.508 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.789 9.676 1.065 1.00 0.00 C ATOM 0 H VAL A 45 7.371 8.204 0.541 1.00 0.00 H new ATOM 0 HA VAL A 45 8.264 9.304 -2.008 1.00 0.00 H new ATOM 0 HB VAL A 45 10.417 9.975 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.617 12.130 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.770 11.663 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.965 11.474 0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.467 10.424 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.863 9.671 1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.256 8.693 1.122 1.00 0.00 H new ATOM 685 N GLU A 46 10.170 7.484 -1.913 1.00 0.00 N ATOM 686 CA GLU A 46 10.945 6.266 -2.013 1.00 0.00 C ATOM 687 C GLU A 46 11.812 6.045 -0.778 1.00 0.00 C ATOM 688 O GLU A 46 12.661 6.869 -0.439 1.00 0.00 O ATOM 689 CB GLU A 46 11.802 6.320 -3.265 1.00 0.00 C ATOM 690 CG GLU A 46 11.309 5.413 -4.375 1.00 0.00 C ATOM 691 CD GLU A 46 11.283 6.115 -5.713 1.00 0.00 C ATOM 692 OE1 GLU A 46 12.301 6.074 -6.435 1.00 0.00 O ATOM 693 OE2 GLU A 46 10.242 6.725 -6.044 1.00 0.00 O ATOM 0 H GLU A 46 10.422 8.199 -2.595 1.00 0.00 H new ATOM 0 HA GLU A 46 10.257 5.423 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.832 7.346 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.825 6.044 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.953 4.536 -4.439 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.308 5.057 -4.134 1.00 0.00 H new ATOM 700 N ASN A 47 11.582 4.925 -0.119 1.00 0.00 N ATOM 701 CA ASN A 47 12.337 4.543 1.063 1.00 0.00 C ATOM 702 C ASN A 47 13.422 3.558 0.652 1.00 0.00 C ATOM 703 O ASN A 47 13.154 2.383 0.415 1.00 0.00 O ATOM 704 CB ASN A 47 11.403 3.928 2.114 1.00 0.00 C ATOM 705 CG ASN A 47 12.142 3.402 3.330 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.231 3.869 3.665 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.547 2.440 4.016 1.00 0.00 N ATOM 0 H ASN A 47 10.865 4.252 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 47 12.802 5.422 1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.679 4.678 2.432 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.839 3.114 1.659 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.991 2.061 4.853 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.645 2.077 3.708 1.00 0.00 H new ATOM 714 N ASN A 48 14.654 4.044 0.581 1.00 0.00 N ATOM 715 CA ASN A 48 15.751 3.301 -0.009 1.00 0.00 C ATOM 716 C ASN A 48 16.221 2.148 0.880 1.00 0.00 C ATOM 717 O ASN A 48 17.253 1.530 0.623 1.00 0.00 O ATOM 718 CB ASN A 48 16.907 4.257 -0.289 1.00 0.00 C ATOM 719 CG ASN A 48 16.622 5.285 -1.383 1.00 0.00 C ATOM 720 OD1 ASN A 48 15.382 5.738 -1.494 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 17.523 5.683 -2.123 1.00 0.00 N flip ATOM 0 H ASN A 48 14.917 4.965 0.932 1.00 0.00 H new ATOM 0 HA ASN A 48 15.395 2.856 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 48 17.159 4.784 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.784 3.675 -0.573 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.469 5.318 -2.016 1.00 0.00 H new ATOM 0 HD22 ASN A 48 17.323 6.378 -2.842 1.00 0.00 H new ATOM 728 N ASN A 49 15.437 1.841 1.896 1.00 0.00 N ATOM 729 CA ASN A 49 15.739 0.774 2.832 1.00 0.00 C ATOM 730 C ASN A 49 14.441 0.325 3.489 1.00 0.00 C ATOM 731 O ASN A 49 14.171 0.630 4.651 1.00 0.00 O ATOM 732 CB ASN A 49 16.741 1.247 3.884 1.00 0.00 C ATOM 733 CG ASN A 49 17.269 0.108 4.745 1.00 0.00 C ATOM 734 OD1 ASN A 49 18.243 -0.555 4.388 1.00 0.00 O ATOM 735 ND2 ASN A 49 16.632 -0.126 5.881 1.00 0.00 N ATOM 0 H ASN A 49 14.564 2.330 2.097 1.00 0.00 H new ATOM 0 HA ASN A 49 16.191 -0.064 2.301 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.577 1.740 3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.266 1.991 4.524 1.00 0.00 H new ATOM 0 HD21 ASN A 49 16.944 -0.878 6.495 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.829 0.446 6.142 1.00 0.00 H new ATOM 742 N PRO A 50 13.599 -0.376 2.724 1.00 0.00 N ATOM 743 CA PRO A 50 12.285 -0.786 3.177 1.00 0.00 C ATOM 744 C PRO A 50 12.322 -2.020 4.068 1.00 0.00 C ATOM 745 O PRO A 50 12.948 -3.027 3.741 1.00 0.00 O ATOM 746 CB PRO A 50 11.523 -1.072 1.882 1.00 0.00 C ATOM 747 CG PRO A 50 12.508 -0.982 0.761 1.00 0.00 C ATOM 748 CD PRO A 50 13.865 -0.823 1.357 1.00 0.00 C ATOM 0 HA PRO A 50 11.820 -0.018 3.794 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.066 -2.061 1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.716 -0.353 1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.465 -1.878 0.142 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.274 -0.137 0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.419 -1.761 1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.460 -0.094 0.807 1.00 0.00 H new ATOM 756 N THR A 51 11.658 -1.915 5.203 1.00 0.00 N ATOM 757 CA THR A 51 11.584 -2.993 6.162 1.00 0.00 C ATOM 758 C THR A 51 10.123 -3.363 6.388 1.00 0.00 C ATOM 759 O THR A 51 9.237 -2.521 6.236 1.00 0.00 O ATOM 760 CB THR A 51 12.261 -2.604 7.499 1.00 0.00 C ATOM 761 OG1 THR A 51 12.387 -3.752 8.355 1.00 0.00 O ATOM 762 CG2 THR A 51 11.475 -1.518 8.218 1.00 0.00 C ATOM 0 H THR A 51 11.153 -1.074 5.484 1.00 0.00 H new ATOM 0 HA THR A 51 12.121 -3.854 5.765 1.00 0.00 H new ATOM 0 HB THR A 51 13.253 -2.219 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.818 -3.488 9.195 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.975 -1.266 9.153 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.418 -0.631 7.586 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.468 -1.878 8.430 1.00 0.00 H new ATOM 770 N CYS A 52 9.870 -4.611 6.735 1.00 0.00 N ATOM 771 CA CYS A 52 8.514 -5.049 7.015 1.00 0.00 C ATOM 772 C CYS A 52 8.149 -4.646 8.444 1.00 0.00 C ATOM 773 O CYS A 52 9.006 -4.146 9.178 1.00 0.00 O ATOM 774 CB CYS A 52 8.406 -6.565 6.817 1.00 0.00 C ATOM 775 SG CYS A 52 6.751 -7.250 7.079 1.00 0.00 S ATOM 0 H CYS A 52 10.581 -5.336 6.830 1.00 0.00 H new ATOM 0 HA CYS A 52 7.814 -4.574 6.328 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.728 -6.809 5.805 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.099 -7.057 7.499 1.00 0.00 H new ATOM 0 HG CYS A 52 6.128 -7.326 5.941 1.00 0.00 H new ATOM 781 N ASP A 53 6.874 -4.823 8.807 1.00 0.00 N ATOM 782 CA ASP A 53 6.311 -4.344 10.085 1.00 0.00 C ATOM 783 C ASP A 53 6.049 -2.845 10.040 1.00 0.00 C ATOM 784 O ASP A 53 5.040 -2.362 10.554 1.00 0.00 O ATOM 785 CB ASP A 53 7.207 -4.676 11.284 1.00 0.00 C ATOM 786 CG ASP A 53 6.943 -6.059 11.844 1.00 0.00 C ATOM 787 OD1 ASP A 53 6.019 -6.205 12.676 1.00 0.00 O ATOM 788 OD2 ASP A 53 7.659 -7.005 11.463 1.00 0.00 O ATOM 0 H ASP A 53 6.194 -5.306 8.221 1.00 0.00 H new ATOM 0 HA ASP A 53 5.367 -4.872 10.220 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.252 -4.603 10.983 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.049 -3.935 12.067 1.00 0.00 H new ATOM 793 N ILE A 54 6.955 -2.114 9.414 1.00 0.00 N ATOM 794 CA ILE A 54 6.827 -0.670 9.290 1.00 0.00 C ATOM 795 C ILE A 54 6.309 -0.332 7.918 1.00 0.00 C ATOM 796 O ILE A 54 7.037 -0.437 6.929 1.00 0.00 O ATOM 797 CB ILE A 54 8.173 0.031 9.539 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.722 -0.401 10.901 1.00 0.00 C ATOM 799 CG2 ILE A 54 8.005 1.546 9.468 1.00 0.00 C ATOM 800 CD1 ILE A 54 10.095 0.141 11.218 1.00 0.00 C ATOM 0 H ILE A 54 7.794 -2.499 8.980 1.00 0.00 H new ATOM 0 HA ILE A 54 6.124 -0.316 10.044 1.00 0.00 H new ATOM 0 HB ILE A 54 8.884 -0.258 8.765 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.029 -0.079 11.678 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.757 -1.490 10.937 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.967 2.027 9.646 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.637 1.825 8.481 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.291 1.869 10.226 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.408 -0.213 12.200 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.804 -0.202 10.465 1.00 0.00 H new ATOM 0 HD13 ILE A 54 10.065 1.231 11.218 1.00 0.00 H new ATOM 812 N ASN A 55 5.024 0.013 7.866 1.00 0.00 N ATOM 813 CA ASN A 55 4.344 0.293 6.610 1.00 0.00 C ATOM 814 C ASN A 55 4.246 -0.991 5.797 1.00 0.00 C ATOM 815 O ASN A 55 3.865 -0.983 4.631 1.00 0.00 O ATOM 816 CB ASN A 55 5.108 1.375 5.845 1.00 0.00 C ATOM 817 CG ASN A 55 4.349 1.915 4.648 1.00 0.00 C ATOM 818 OD1 ASN A 55 3.118 1.960 4.635 1.00 0.00 O ATOM 819 ND2 ASN A 55 5.084 2.329 3.631 1.00 0.00 N ATOM 0 H ASN A 55 4.430 0.105 8.690 1.00 0.00 H new ATOM 0 HA ASN A 55 3.336 0.660 6.801 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.335 2.198 6.523 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.061 0.967 5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.634 2.703 2.795 1.00 0.00 H new ATOM 0 HD22 ASN A 55 6.101 2.275 3.682 1.00 0.00 H new ATOM 826 N ASN A 56 4.597 -2.100 6.451 1.00 0.00 N ATOM 827 CA ASN A 56 4.674 -3.408 5.813 1.00 0.00 C ATOM 828 C ASN A 56 5.632 -3.346 4.621 1.00 0.00 C ATOM 829 O ASN A 56 5.501 -4.100 3.665 1.00 0.00 O ATOM 830 CB ASN A 56 3.278 -3.870 5.366 1.00 0.00 C ATOM 831 CG ASN A 56 3.146 -5.380 5.265 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.762 -6.120 6.032 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.354 -5.843 4.307 1.00 0.00 N ATOM 0 H ASN A 56 4.836 -2.112 7.442 1.00 0.00 H new ATOM 0 HA ASN A 56 5.055 -4.133 6.532 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.536 -3.494 6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.050 -3.427 4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.237 -6.849 4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.862 -5.193 3.693 1.00 0.00 H new ATOM 840 N GLY A 57 6.603 -2.433 4.693 1.00 0.00 N ATOM 841 CA GLY A 57 7.524 -2.226 3.589 1.00 0.00 C ATOM 842 C GLY A 57 6.844 -1.584 2.395 1.00 0.00 C ATOM 843 O GLY A 57 7.303 -1.711 1.263 1.00 0.00 O ATOM 0 H GLY A 57 6.766 -1.832 5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.349 -1.595 3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.953 -3.182 3.291 1.00 0.00 H new ATOM 847 N GLY A 58 5.745 -0.899 2.657 1.00 0.00 N ATOM 848 CA GLY A 58 4.987 -0.266 1.602 1.00 0.00 C ATOM 849 C GLY A 58 3.873 -1.161 1.107 1.00 0.00 C ATOM 850 O GLY A 58 3.320 -0.948 0.038 1.00 0.00 O ATOM 0 H GLY A 58 5.361 -0.769 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.567 0.672 1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.651 -0.018 0.774 1.00 0.00 H new ATOM 854 N CYS A 59 3.546 -2.156 1.908 1.00 0.00 N ATOM 855 CA CYS A 59 2.584 -3.175 1.531 1.00 0.00 C ATOM 856 C CYS A 59 1.332 -3.109 2.402 1.00 0.00 C ATOM 857 O CYS A 59 1.235 -2.297 3.322 1.00 0.00 O ATOM 858 CB CYS A 59 3.228 -4.556 1.634 1.00 0.00 C ATOM 859 SG CYS A 59 4.580 -4.820 0.471 1.00 0.00 S ATOM 0 H CYS A 59 3.940 -2.282 2.840 1.00 0.00 H new ATOM 0 HA CYS A 59 2.280 -2.993 0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.601 -4.697 2.648 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.464 -5.316 1.467 1.00 0.00 H new ATOM 0 HG CYS A 59 4.673 -6.087 0.194 1.00 0.00 H new ATOM 865 N ASP A 60 0.388 -3.988 2.103 1.00 0.00 N ATOM 866 CA ASP A 60 -0.883 -4.067 2.829 1.00 0.00 C ATOM 867 C ASP A 60 -0.797 -5.179 3.866 1.00 0.00 C ATOM 868 O ASP A 60 -0.212 -6.218 3.606 1.00 0.00 O ATOM 869 CB ASP A 60 -2.007 -4.391 1.827 1.00 0.00 C ATOM 870 CG ASP A 60 -3.365 -4.642 2.470 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.519 -5.657 3.167 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.287 -3.825 2.263 1.00 0.00 O ATOM 0 H ASP A 60 0.476 -4.670 1.350 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.090 -3.119 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.099 -3.565 1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.722 -5.272 1.251 1.00 0.00 H new ATOM 877 N PRO A 61 -1.360 -4.942 5.074 1.00 0.00 N ATOM 878 CA PRO A 61 -1.304 -5.876 6.200 1.00 0.00 C ATOM 879 C PRO A 61 -1.734 -7.297 5.841 1.00 0.00 C ATOM 880 O PRO A 61 -1.289 -8.257 6.470 1.00 0.00 O ATOM 881 CB PRO A 61 -2.285 -5.286 7.223 1.00 0.00 C ATOM 882 CG PRO A 61 -2.994 -4.181 6.538 1.00 0.00 C ATOM 883 CD PRO A 61 -2.099 -3.728 5.438 1.00 0.00 C ATOM 0 HA PRO A 61 -0.280 -5.974 6.561 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.989 -6.044 7.567 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.755 -4.920 8.102 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.953 -4.519 6.145 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.203 -3.365 7.230 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.667 -3.336 4.594 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.429 -2.934 5.767 1.00 0.00 H new ATOM 891 N THR A 62 -2.611 -7.429 4.851 1.00 0.00 N ATOM 892 CA THR A 62 -3.052 -8.739 4.401 1.00 0.00 C ATOM 893 C THR A 62 -2.166 -9.238 3.262 1.00 0.00 C ATOM 894 O THR A 62 -2.064 -10.444 3.027 1.00 0.00 O ATOM 895 CB THR A 62 -4.530 -8.731 3.952 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.706 -7.884 2.814 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.433 -8.254 5.079 1.00 0.00 C ATOM 0 H THR A 62 -3.028 -6.646 4.348 1.00 0.00 H new ATOM 0 HA THR A 62 -2.966 -9.416 5.251 1.00 0.00 H new ATOM 0 HB THR A 62 -4.802 -9.752 3.685 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.601 -6.948 3.084 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.469 -8.256 4.741 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.329 -8.921 5.935 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.149 -7.243 5.370 1.00 0.00 H new ATOM 905 N ALA A 63 -1.512 -8.305 2.566 1.00 0.00 N ATOM 906 CA ALA A 63 -0.539 -8.650 1.557 1.00 0.00 C ATOM 907 C ALA A 63 0.735 -9.110 2.244 1.00 0.00 C ATOM 908 O ALA A 63 1.499 -8.294 2.757 1.00 0.00 O ATOM 909 CB ALA A 63 -0.272 -7.455 0.649 1.00 0.00 C ATOM 0 H ALA A 63 -1.648 -7.302 2.693 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.921 -9.458 0.933 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.464 -7.730 -0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.199 -7.155 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.111 -6.625 1.243 1.00 0.00 H new ATOM 915 N SER A 64 0.938 -10.423 2.279 1.00 0.00 N ATOM 916 CA SER A 64 2.053 -11.016 3.002 1.00 0.00 C ATOM 917 C SER A 64 3.380 -10.443 2.504 1.00 0.00 C ATOM 918 O SER A 64 3.899 -10.838 1.459 1.00 0.00 O ATOM 919 CB SER A 64 2.024 -12.538 2.843 1.00 0.00 C ATOM 920 OG SER A 64 2.818 -13.175 3.827 1.00 0.00 O ATOM 0 H SER A 64 0.337 -11.101 1.810 1.00 0.00 H new ATOM 0 HA SER A 64 1.958 -10.774 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.996 -12.894 2.916 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.385 -12.809 1.851 1.00 0.00 H new ATOM 0 HG SER A 64 2.778 -14.146 3.701 1.00 0.00 H new ATOM 926 N CYS A 65 3.896 -9.494 3.264 1.00 0.00 N ATOM 927 CA CYS A 65 5.114 -8.789 2.921 1.00 0.00 C ATOM 928 C CYS A 65 6.366 -9.550 3.328 1.00 0.00 C ATOM 929 O CYS A 65 6.357 -10.350 4.264 1.00 0.00 O ATOM 930 CB CYS A 65 5.097 -7.413 3.583 1.00 0.00 C ATOM 931 SG CYS A 65 6.718 -6.677 3.869 1.00 0.00 S ATOM 0 H CYS A 65 3.477 -9.190 4.143 1.00 0.00 H new ATOM 0 HA CYS A 65 5.147 -8.689 1.836 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.513 -6.735 2.960 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.579 -7.494 4.539 1.00 0.00 H new ATOM 0 HG CYS A 65 6.645 -5.389 3.707 1.00 0.00 H new ATOM 937 N GLN A 66 7.435 -9.286 2.597 1.00 0.00 N ATOM 938 CA GLN A 66 8.747 -9.802 2.915 1.00 0.00 C ATOM 939 C GLN A 66 9.745 -8.654 2.939 1.00 0.00 C ATOM 940 O GLN A 66 9.734 -7.791 2.057 1.00 0.00 O ATOM 941 CB GLN A 66 9.163 -10.869 1.896 1.00 0.00 C ATOM 942 CG GLN A 66 10.410 -10.525 1.106 1.00 0.00 C ATOM 943 CD GLN A 66 11.009 -11.720 0.389 1.00 0.00 C ATOM 944 OE1 GLN A 66 12.216 -11.781 0.164 1.00 0.00 O ATOM 945 NE2 GLN A 66 10.172 -12.683 0.027 1.00 0.00 N ATOM 0 H GLN A 66 7.412 -8.703 1.761 1.00 0.00 H new ATOM 0 HA GLN A 66 8.725 -10.272 3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.327 -11.811 2.420 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.340 -11.031 1.200 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.168 -9.754 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.155 -10.103 1.780 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.176 -12.597 0.231 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.524 -13.510 -0.456 1.00 0.00 H new ATOM 954 N ASN A 67 10.577 -8.632 3.961 1.00 0.00 N ATOM 955 CA ASN A 67 11.626 -7.660 4.075 1.00 0.00 C ATOM 956 C ASN A 67 12.849 -8.123 3.298 1.00 0.00 C ATOM 957 O ASN A 67 13.451 -9.152 3.612 1.00 0.00 O ATOM 958 CB ASN A 67 11.965 -7.449 5.552 1.00 0.00 C ATOM 959 CG ASN A 67 11.859 -8.711 6.400 1.00 0.00 C ATOM 960 OD1 ASN A 67 12.021 -9.830 5.914 1.00 0.00 O ATOM 961 ND2 ASN A 67 11.590 -8.541 7.683 1.00 0.00 N ATOM 0 H ASN A 67 10.537 -9.295 4.735 1.00 0.00 H new ATOM 0 HA ASN A 67 11.295 -6.711 3.653 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.979 -7.056 5.629 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.298 -6.691 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.512 -9.350 8.299 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.461 -7.601 8.057 1.00 0.00 H new ATOM 968 N ALA A 68 13.209 -7.367 2.281 1.00 0.00 N ATOM 969 CA ALA A 68 14.294 -7.750 1.400 1.00 0.00 C ATOM 970 C ALA A 68 15.049 -6.529 0.922 1.00 0.00 C ATOM 971 O ALA A 68 14.559 -5.406 1.032 1.00 0.00 O ATOM 972 CB ALA A 68 13.745 -8.524 0.218 1.00 0.00 C ATOM 0 H ALA A 68 12.764 -6.480 2.043 1.00 0.00 H new ATOM 0 HA ALA A 68 14.987 -8.385 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.564 -8.810 -0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.236 -9.420 0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.039 -7.900 -0.330 1.00 0.00 H new ATOM 978 N GLU A 69 16.245 -6.749 0.408 1.00 0.00 N ATOM 979 CA GLU A 69 17.057 -5.675 -0.117 1.00 0.00 C ATOM 980 C GLU A 69 17.307 -5.876 -1.610 1.00 0.00 C ATOM 981 O GLU A 69 17.277 -7.001 -2.110 1.00 0.00 O ATOM 982 CB GLU A 69 18.378 -5.607 0.640 1.00 0.00 C ATOM 983 CG GLU A 69 19.283 -6.799 0.403 1.00 0.00 C ATOM 984 CD GLU A 69 20.609 -6.658 1.106 1.00 0.00 C ATOM 985 OE1 GLU A 69 21.501 -5.980 0.560 1.00 0.00 O ATOM 986 OE2 GLU A 69 20.767 -7.219 2.211 1.00 0.00 O ATOM 0 H GLU A 69 16.676 -7.671 0.344 1.00 0.00 H new ATOM 0 HA GLU A 69 16.525 -4.733 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.906 -4.699 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.170 -5.527 1.707 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.785 -7.705 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.452 -6.917 -0.667 1.00 0.00 H new ATOM 993 N SER A 70 17.541 -4.778 -2.309 1.00 0.00 N ATOM 994 CA SER A 70 17.758 -4.797 -3.742 1.00 0.00 C ATOM 995 C SER A 70 18.460 -3.512 -4.159 1.00 0.00 C ATOM 996 O SER A 70 18.871 -2.723 -3.303 1.00 0.00 O ATOM 997 CB SER A 70 16.406 -4.890 -4.440 1.00 0.00 C ATOM 998 OG SER A 70 15.823 -3.627 -4.546 1.00 0.00 O ATOM 0 H SER A 70 17.586 -3.847 -1.895 1.00 0.00 H new ATOM 0 HA SER A 70 18.376 -5.652 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.531 -5.324 -5.432 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.747 -5.556 -3.882 1.00 0.00 H new ATOM 0 HG SER A 70 14.854 -3.722 -4.660 1.00 0.00 H new ATOM 1004 N THR A 71 18.586 -3.292 -5.454 1.00 0.00 N ATOM 1005 CA THR A 71 19.069 -2.013 -5.954 1.00 0.00 C ATOM 1006 C THR A 71 17.905 -1.015 -6.056 1.00 0.00 C ATOM 1007 O THR A 71 18.105 0.200 -6.076 1.00 0.00 O ATOM 1008 CB THR A 71 19.768 -2.165 -7.326 1.00 0.00 C ATOM 1009 OG1 THR A 71 20.389 -0.932 -7.712 1.00 0.00 O ATOM 1010 CG2 THR A 71 18.789 -2.600 -8.410 1.00 0.00 C ATOM 0 H THR A 71 18.363 -3.976 -6.177 1.00 0.00 H new ATOM 0 HA THR A 71 19.808 -1.634 -5.248 1.00 0.00 H new ATOM 0 HB THR A 71 20.528 -2.939 -7.218 1.00 0.00 H new ATOM 0 HG1 THR A 71 20.828 -1.045 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 71 19.316 -2.696 -9.359 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.350 -3.560 -8.140 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.999 -1.855 -8.507 1.00 0.00 H new ATOM 1018 N GLU A 72 16.690 -1.550 -6.057 1.00 0.00 N ATOM 1019 CA GLU A 72 15.471 -0.765 -6.222 1.00 0.00 C ATOM 1020 C GLU A 72 14.617 -0.820 -4.969 1.00 0.00 C ATOM 1021 O GLU A 72 14.110 -1.878 -4.613 1.00 0.00 O ATOM 1022 CB GLU A 72 14.644 -1.349 -7.345 1.00 0.00 C ATOM 1023 CG GLU A 72 15.222 -1.152 -8.724 1.00 0.00 C ATOM 1024 CD GLU A 72 15.402 0.306 -9.085 1.00 0.00 C ATOM 1025 OE1 GLU A 72 14.444 0.920 -9.595 1.00 0.00 O ATOM 1026 OE2 GLU A 72 16.503 0.842 -8.856 1.00 0.00 O ATOM 0 H GLU A 72 16.521 -2.549 -5.942 1.00 0.00 H new ATOM 0 HA GLU A 72 15.765 0.263 -6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.519 -2.417 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.650 -0.903 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.186 -1.657 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.568 -1.624 -9.457 1.00 0.00 H new ATOM 1033 N ASN A 73 14.389 0.321 -4.340 1.00 0.00 N ATOM 1034 CA ASN A 73 13.619 0.360 -3.103 1.00 0.00 C ATOM 1035 C ASN A 73 12.251 -0.289 -3.305 1.00 0.00 C ATOM 1036 O ASN A 73 11.696 -0.875 -2.383 1.00 0.00 O ATOM 1037 CB ASN A 73 13.402 1.798 -2.611 1.00 0.00 C ATOM 1038 CG ASN A 73 14.445 2.807 -3.084 1.00 0.00 C ATOM 1039 OD1 ASN A 73 14.105 3.937 -3.412 1.00 0.00 O ATOM 1040 ND2 ASN A 73 15.719 2.440 -3.080 1.00 0.00 N ATOM 0 H ASN A 73 14.723 1.229 -4.662 1.00 0.00 H new ATOM 0 HA ASN A 73 14.194 -0.188 -2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.419 2.134 -2.940 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.390 1.795 -1.521 1.00 0.00 H new ATOM 0 HD21 ASN A 73 16.442 3.105 -3.354 1.00 0.00 H new ATOM 0 HD22 ASN A 73 15.976 1.493 -2.803 1.00 0.00 H new ATOM 1047 N SER A 74 11.729 -0.209 -4.525 1.00 0.00 N ATOM 1048 CA SER A 74 10.398 -0.716 -4.817 1.00 0.00 C ATOM 1049 C SER A 74 10.432 -2.184 -5.232 1.00 0.00 C ATOM 1050 O SER A 74 9.403 -2.855 -5.258 1.00 0.00 O ATOM 1051 CB SER A 74 9.761 0.127 -5.919 1.00 0.00 C ATOM 1052 OG SER A 74 9.819 1.502 -5.585 1.00 0.00 O ATOM 0 H SER A 74 12.209 0.202 -5.325 1.00 0.00 H new ATOM 0 HA SER A 74 9.801 -0.646 -3.908 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.278 -0.047 -6.863 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.724 -0.175 -6.063 1.00 0.00 H new ATOM 0 HG SER A 74 9.394 2.029 -6.294 1.00 0.00 H new ATOM 1058 N LYS A 75 11.616 -2.683 -5.544 1.00 0.00 N ATOM 1059 CA LYS A 75 11.769 -4.068 -5.969 1.00 0.00 C ATOM 1060 C LYS A 75 12.330 -4.908 -4.831 1.00 0.00 C ATOM 1061 O LYS A 75 12.835 -6.008 -5.047 1.00 0.00 O ATOM 1062 CB LYS A 75 12.684 -4.166 -7.186 1.00 0.00 C ATOM 1063 CG LYS A 75 12.230 -3.311 -8.355 1.00 0.00 C ATOM 1064 CD LYS A 75 12.960 -3.684 -9.623 1.00 0.00 C ATOM 1065 CE LYS A 75 12.501 -2.833 -10.792 1.00 0.00 C ATOM 1066 NZ LYS A 75 13.262 -3.123 -12.034 1.00 0.00 N ATOM 0 H LYS A 75 12.486 -2.152 -5.512 1.00 0.00 H new ATOM 0 HA LYS A 75 10.786 -4.449 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.692 -3.868 -6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.739 -5.206 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.157 -3.432 -8.502 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.404 -2.259 -8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.033 -3.559 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.789 -4.737 -9.847 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.440 -3.006 -10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.613 -1.779 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.913 -2.518 -12.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.272 -2.933 -11.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.135 -4.122 -12.294 1.00 0.00 H new ATOM 1080 N LYS A 76 12.248 -4.375 -3.619 1.00 0.00 N ATOM 1081 CA LYS A 76 12.767 -5.069 -2.450 1.00 0.00 C ATOM 1082 C LYS A 76 11.673 -5.818 -1.729 1.00 0.00 C ATOM 1083 O LYS A 76 11.735 -7.032 -1.584 1.00 0.00 O ATOM 1084 CB LYS A 76 13.413 -4.095 -1.476 1.00 0.00 C ATOM 1085 CG LYS A 76 14.598 -3.360 -2.045 1.00 0.00 C ATOM 1086 CD LYS A 76 15.389 -2.682 -0.958 1.00 0.00 C ATOM 1087 CE LYS A 76 16.107 -1.453 -1.475 1.00 0.00 C ATOM 1088 NZ LYS A 76 17.185 -0.984 -0.558 1.00 0.00 N ATOM 0 H LYS A 76 11.828 -3.467 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 76 13.515 -5.776 -2.808 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.667 -3.368 -1.155 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.729 -4.641 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.239 -4.058 -2.583 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.257 -2.618 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.721 -2.399 -0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.116 -3.382 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.538 -1.674 -2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.384 -0.650 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.980 -0.012 -0.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.230 -1.608 0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.098 -1.004 -1.056 1.00 0.00 H new ATOM 1102 N ILE A 77 10.669 -5.089 -1.276 1.00 0.00 N ATOM 1103 CA ILE A 77 9.625 -5.689 -0.476 1.00 0.00 C ATOM 1104 C ILE A 77 8.650 -6.441 -1.360 1.00 0.00 C ATOM 1105 O ILE A 77 8.275 -5.976 -2.435 1.00 0.00 O ATOM 1106 CB ILE A 77 8.852 -4.641 0.347 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.812 -3.800 1.186 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.825 -5.302 1.242 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.625 -4.605 2.180 1.00 0.00 C ATOM 0 H ILE A 77 10.557 -4.090 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 77 10.111 -6.377 0.216 1.00 0.00 H new ATOM 0 HB ILE A 77 8.330 -3.988 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.492 -3.270 0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.241 -3.044 1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.294 -4.539 1.812 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.115 -5.859 0.631 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.326 -5.984 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.282 -3.938 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.954 -5.114 2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.224 -5.343 1.647 1.00 0.00 H new ATOM 1121 N ILE A 78 8.260 -7.605 -0.902 1.00 0.00 N ATOM 1122 CA ILE A 78 7.325 -8.443 -1.636 1.00 0.00 C ATOM 1123 C ILE A 78 5.970 -8.440 -0.955 1.00 0.00 C ATOM 1124 O ILE A 78 5.862 -8.800 0.210 1.00 0.00 O ATOM 1125 CB ILE A 78 7.819 -9.906 -1.774 1.00 0.00 C ATOM 1126 CG1 ILE A 78 8.947 -10.003 -2.802 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.677 -10.840 -2.162 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.300 -9.597 -2.268 1.00 0.00 C ATOM 0 H ILE A 78 8.575 -8.002 -0.017 1.00 0.00 H new ATOM 0 HA ILE A 78 7.246 -8.020 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 78 8.202 -10.217 -0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.005 -11.028 -3.168 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.701 -9.373 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.054 -11.859 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.903 -10.806 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.257 -10.524 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.046 -9.693 -3.057 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.262 -8.562 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.570 -10.243 -1.432 1.00 0.00 H new ATOM 1140 N CYS A 79 4.951 -8.015 -1.673 1.00 0.00 N ATOM 1141 CA CYS A 79 3.590 -8.086 -1.174 1.00 0.00 C ATOM 1142 C CYS A 79 2.885 -9.297 -1.768 1.00 0.00 C ATOM 1143 O CYS A 79 3.171 -9.699 -2.896 1.00 0.00 O ATOM 1144 CB CYS A 79 2.832 -6.815 -1.531 1.00 0.00 C ATOM 1145 SG CYS A 79 3.121 -6.271 -3.226 1.00 0.00 S ATOM 0 H CYS A 79 5.038 -7.615 -2.607 1.00 0.00 H new ATOM 0 HA CYS A 79 3.616 -8.185 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.765 -6.983 -1.387 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.125 -6.020 -0.846 1.00 0.00 H new ATOM 0 HG CYS A 79 2.230 -6.802 -4.010 1.00 0.00 H new ATOM 1151 N THR A 80 1.988 -9.893 -1.003 1.00 0.00 N ATOM 1152 CA THR A 80 1.265 -11.060 -1.463 1.00 0.00 C ATOM 1153 C THR A 80 -0.220 -10.994 -1.113 1.00 0.00 C ATOM 1154 O THR A 80 -0.594 -11.082 0.056 1.00 0.00 O ATOM 1155 CB THR A 80 1.877 -12.340 -0.865 1.00 0.00 C ATOM 1156 OG1 THR A 80 3.087 -12.676 -1.558 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.890 -13.493 -0.919 1.00 0.00 C ATOM 0 H THR A 80 1.744 -9.587 -0.061 1.00 0.00 H new ATOM 0 HA THR A 80 1.353 -11.081 -2.549 1.00 0.00 H new ATOM 0 HB THR A 80 2.112 -12.153 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.471 -13.490 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.348 -14.384 -0.490 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.003 -13.234 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.616 -13.689 -1.956 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.059 -10.845 -2.122 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.485 -10.984 -1.926 1.00 0.00 C ATOM 1167 C CYS A 81 -2.859 -12.444 -2.154 1.00 0.00 C ATOM 1168 O CYS A 81 -2.180 -13.159 -2.898 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.261 -10.059 -2.868 1.00 0.00 C ATOM 1170 SG CYS A 81 -3.054 -10.441 -4.624 1.00 0.00 S ATOM 0 H CYS A 81 -0.777 -10.629 -3.078 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.749 -10.693 -0.909 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -4.321 -10.112 -2.619 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.944 -9.031 -2.692 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.751 -9.605 -5.335 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.917 -12.888 -1.510 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.281 -14.295 -1.511 1.00 0.00 C ATOM 1178 C LYS A 82 -5.761 -14.480 -1.840 1.00 0.00 C ATOM 1179 O LYS A 82 -6.453 -13.523 -2.187 1.00 0.00 O ATOM 1180 CB LYS A 82 -3.950 -14.922 -0.157 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.466 -14.911 0.165 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.177 -15.494 1.535 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.625 -16.943 1.640 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.249 -17.547 2.945 1.00 0.00 N ATOM 0 H LYS A 82 -4.547 -12.292 -0.974 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.702 -14.799 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.488 -14.386 0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.310 -15.951 -0.143 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.927 -15.480 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.093 -13.888 0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.108 -15.429 1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.684 -14.901 2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.706 -16.999 1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.178 -17.521 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.572 -18.535 2.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.215 -17.517 3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.696 -17.012 3.717 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.232 -15.717 -1.760 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.624 -16.038 -2.023 1.00 0.00 C ATOM 1200 C GLU A 83 -8.605 -15.180 -1.214 1.00 0.00 C ATOM 1201 O GLU A 83 -9.538 -14.624 -1.788 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.868 -17.515 -1.738 1.00 0.00 C ATOM 1203 CG GLU A 83 -6.924 -18.448 -2.475 1.00 0.00 C ATOM 1204 CD GLU A 83 -6.929 -18.212 -3.969 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -7.925 -18.573 -4.629 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -5.936 -17.661 -4.488 1.00 0.00 O ATOM 0 H GLU A 83 -5.659 -16.523 -1.511 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.810 -15.816 -3.074 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.772 -17.689 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.894 -17.763 -2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.912 -18.313 -2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.207 -19.481 -2.272 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.418 -15.037 0.120 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.329 -14.252 0.967 1.00 0.00 C ATOM 1215 C PRO A 84 -9.326 -12.765 0.632 1.00 0.00 C ATOM 1216 O PRO A 84 -10.053 -11.982 1.242 1.00 0.00 O ATOM 1217 CB PRO A 84 -8.757 -14.450 2.375 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.935 -15.670 2.287 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.336 -15.624 0.927 1.00 0.00 C ATOM 0 HA PRO A 84 -10.362 -14.577 0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -8.158 -13.592 2.681 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.553 -14.563 3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.165 -15.685 3.058 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.540 -16.566 2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.434 -15.013 0.902 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.058 -16.617 0.572 1.00 0.00 H new ATOM 1227 N THR A 85 -8.516 -12.377 -0.336 1.00 0.00 N ATOM 1228 CA THR A 85 -8.316 -10.971 -0.615 1.00 0.00 C ATOM 1229 C THR A 85 -8.659 -10.621 -2.067 1.00 0.00 C ATOM 1230 O THR A 85 -7.904 -10.922 -2.993 1.00 0.00 O ATOM 1231 CB THR A 85 -6.868 -10.537 -0.282 1.00 0.00 C ATOM 1232 OG1 THR A 85 -5.931 -11.260 -1.076 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.555 -10.766 1.192 1.00 0.00 C ATOM 0 H THR A 85 -7.991 -13.012 -0.937 1.00 0.00 H new ATOM 0 HA THR A 85 -9.000 -10.419 0.029 1.00 0.00 H new ATOM 0 HB THR A 85 -6.786 -9.473 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.412 -11.854 -1.689 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.532 -10.453 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.244 -10.185 1.805 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.665 -11.825 1.427 1.00 0.00 H new ATOM 1241 N PRO A 86 -9.855 -10.017 -2.260 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.327 -9.469 -3.540 1.00 0.00 C ATOM 1243 C PRO A 86 -9.251 -8.812 -4.431 1.00 0.00 C ATOM 1244 O PRO A 86 -9.148 -9.168 -5.601 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.390 -8.464 -3.061 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.039 -9.198 -1.948 1.00 0.00 C ATOM 1247 CD PRO A 86 -10.907 -9.879 -1.222 1.00 0.00 C ATOM 0 HA PRO A 86 -10.689 -10.250 -4.209 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.943 -7.528 -2.725 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.098 -8.214 -3.851 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.580 -8.519 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.762 -9.923 -2.321 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.559 -9.286 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.210 -10.849 -0.828 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.442 -7.878 -3.919 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.492 -7.170 -4.798 1.00 0.00 C ATOM 1257 C ASN A 87 -6.144 -6.942 -4.161 1.00 0.00 C ATOM 1258 O ASN A 87 -5.981 -7.085 -2.961 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.032 -5.809 -5.248 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.293 -5.219 -6.438 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.834 -5.939 -7.320 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -7.166 -3.901 -6.457 1.00 0.00 N ATOM 0 H ASN A 87 -8.420 -7.599 -2.938 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.370 -7.832 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.087 -5.913 -5.502 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -7.973 -5.111 -4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.671 -3.447 -7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.563 -3.339 -5.704 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.190 -6.605 -5.010 1.00 0.00 N ATOM 1270 CA ALA A 88 -3.936 -6.009 -4.600 1.00 0.00 C ATOM 1271 C ALA A 88 -3.702 -4.753 -5.433 1.00 0.00 C ATOM 1272 O ALA A 88 -3.398 -4.829 -6.625 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.784 -6.981 -4.769 1.00 0.00 C ATOM 0 H ALA A 88 -5.268 -6.741 -6.018 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.989 -5.751 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.856 -6.504 -4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.963 -7.867 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.704 -7.272 -5.816 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.883 -3.605 -4.807 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.640 -2.326 -5.448 1.00 0.00 C ATOM 1281 C TYR A 89 -2.180 -1.996 -5.330 1.00 0.00 C ATOM 1282 O TYR A 89 -1.593 -2.189 -4.262 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.424 -1.216 -4.766 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.534 -0.605 -5.580 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -5.278 0.325 -6.580 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.843 -0.913 -5.297 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -6.313 0.913 -7.283 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.880 -0.328 -5.976 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.616 0.586 -6.974 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.653 1.175 -7.663 1.00 0.00 O ATOM 0 H TYR A 89 -4.202 -3.533 -3.841 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.951 -2.400 -6.490 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.850 -1.611 -3.844 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.728 -0.426 -4.483 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.257 0.592 -6.811 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.060 -1.633 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -6.102 1.623 -8.069 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.900 -0.582 -5.730 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.190 1.715 -7.047 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.593 -1.503 -6.409 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.199 -1.114 -6.386 1.00 0.00 C ATOM 1302 C TYR A 90 0.626 -2.300 -5.945 1.00 0.00 C ATOM 1303 O TYR A 90 1.418 -2.226 -5.012 1.00 0.00 O ATOM 1304 CB TYR A 90 -0.027 0.115 -5.481 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.769 1.304 -6.043 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -0.201 2.098 -7.028 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -2.061 1.597 -5.628 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -0.896 3.160 -7.576 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -2.765 2.647 -6.178 1.00 0.00 C ATOM 1310 CZ TYR A 90 -2.180 3.427 -7.148 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.893 4.461 -7.710 1.00 0.00 O ATOM 0 H TYR A 90 -2.060 -1.365 -7.305 1.00 0.00 H new ATOM 0 HA TYR A 90 0.150 -0.823 -7.377 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.397 -0.110 -4.481 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.032 0.355 -5.383 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.800 1.883 -7.372 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.522 0.992 -4.861 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.437 3.777 -8.334 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.772 2.856 -5.848 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.779 4.511 -7.295 1.00 0.00 H new ATOM 1321 N GLU A 91 0.350 -3.422 -6.618 1.00 0.00 N ATOM 1322 CA GLU A 91 1.070 -4.678 -6.447 1.00 0.00 C ATOM 1323 C GLU A 91 0.696 -5.394 -5.155 1.00 0.00 C ATOM 1324 O GLU A 91 0.848 -6.611 -5.040 1.00 0.00 O ATOM 1325 CB GLU A 91 2.569 -4.418 -6.508 1.00 0.00 C ATOM 1326 CG GLU A 91 2.966 -3.521 -7.667 1.00 0.00 C ATOM 1327 CD GLU A 91 3.062 -4.265 -8.981 1.00 0.00 C ATOM 1328 OE1 GLU A 91 4.122 -4.866 -9.254 1.00 0.00 O ATOM 1329 OE2 GLU A 91 2.079 -4.257 -9.750 1.00 0.00 O ATOM 0 H GLU A 91 -0.397 -3.478 -7.310 1.00 0.00 H new ATOM 0 HA GLU A 91 0.781 -5.342 -7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 91 2.892 -3.960 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.094 -5.369 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.237 -2.716 -7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.927 -3.056 -7.447 1.00 0.00 H new ATOM 1336 N GLY A 92 0.185 -4.645 -4.208 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.139 -5.196 -2.913 1.00 0.00 C ATOM 1338 C GLY A 92 0.125 -4.211 -1.800 1.00 0.00 C ATOM 1339 O GLY A 92 0.264 -4.598 -0.642 1.00 0.00 O ATOM 0 H GLY A 92 -0.016 -3.650 -4.309 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.188 -5.490 -2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.448 -6.099 -2.745 1.00 0.00 H new ATOM 1343 N VAL A 93 0.225 -2.936 -2.155 1.00 0.00 N ATOM 1344 CA VAL A 93 0.257 -1.875 -1.161 1.00 0.00 C ATOM 1345 C VAL A 93 -1.075 -1.855 -0.428 1.00 0.00 C ATOM 1346 O VAL A 93 -1.175 -1.422 0.719 1.00 0.00 O ATOM 1347 CB VAL A 93 0.526 -0.491 -1.805 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.604 0.607 -0.761 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.803 -0.524 -2.621 1.00 0.00 C ATOM 0 H VAL A 93 0.285 -2.614 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 93 1.073 -2.074 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.313 -0.269 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.794 1.562 -1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.339 0.659 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.414 0.390 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.976 0.456 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.642 -0.782 -1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.711 -1.270 -3.411 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.103 -2.342 -1.114 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.420 -2.496 -0.518 1.00 0.00 C ATOM 1361 C PHE A 94 -4.092 -3.694 -1.109 1.00 0.00 C ATOM 1362 O PHE A 94 -3.831 -4.070 -2.246 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.342 -1.292 -0.773 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.637 0.008 -0.843 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.980 0.367 -1.997 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.614 0.860 0.237 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.310 1.553 -2.077 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.950 2.055 0.164 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.296 2.402 -0.992 1.00 0.00 C ATOM 0 H PHE A 94 -2.046 -2.638 -2.089 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.262 -2.593 0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.880 -1.452 -1.708 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.088 -1.246 0.020 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.995 -0.297 -2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.123 0.584 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.794 1.825 -2.986 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.941 2.722 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.769 3.343 -1.051 1.00 0.00 H new ATOM 1379 N CYS A 95 -4.937 -4.292 -0.330 1.00 0.00 N ATOM 1380 CA CYS A 95 -5.873 -5.239 -0.839 1.00 0.00 C ATOM 1381 C CYS A 95 -7.231 -4.563 -0.868 1.00 0.00 C ATOM 1382 O CYS A 95 -7.739 -4.114 0.151 1.00 0.00 O ATOM 1383 CB CYS A 95 -5.850 -6.479 0.032 1.00 0.00 C ATOM 1384 SG CYS A 95 -4.313 -7.430 -0.071 1.00 0.00 S ATOM 0 H CYS A 95 -4.996 -4.136 0.676 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.626 -5.562 -1.850 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.013 -6.184 1.069 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.682 -7.123 -0.251 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.016 -7.903 1.103 1.00 0.00 H new ATOM 1390 N SER A 96 -7.824 -4.541 -2.043 1.00 0.00 N ATOM 1391 CA SER A 96 -8.895 -3.618 -2.367 1.00 0.00 C ATOM 1392 C SER A 96 -10.000 -4.267 -3.181 1.00 0.00 C ATOM 1393 O SER A 96 -9.999 -5.470 -3.403 1.00 0.00 O ATOM 1394 CB SER A 96 -8.329 -2.465 -3.148 1.00 0.00 C ATOM 1395 OG SER A 96 -7.206 -1.901 -2.492 1.00 0.00 O ATOM 0 H SER A 96 -7.575 -5.168 -2.808 1.00 0.00 H new ATOM 0 HA SER A 96 -9.332 -3.283 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.040 -2.804 -4.143 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.096 -1.702 -3.282 1.00 0.00 H new ATOM 0 HG SER A 96 -7.402 -1.799 -1.537 1.00 0.00 H new ATOM 1401 N SER A 97 -11.007 -3.485 -3.517 1.00 0.00 N ATOM 1402 CA SER A 97 -12.052 -3.966 -4.386 1.00 0.00 C ATOM 1403 C SER A 97 -11.459 -4.348 -5.728 1.00 0.00 C ATOM 1404 O SER A 97 -11.083 -3.486 -6.519 1.00 0.00 O ATOM 1405 CB SER A 97 -13.126 -2.910 -4.593 1.00 0.00 C ATOM 1406 OG SER A 97 -14.263 -3.463 -5.232 1.00 0.00 O ATOM 0 H SER A 97 -11.120 -2.521 -3.202 1.00 0.00 H new ATOM 0 HA SER A 97 -12.511 -4.836 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.415 -2.486 -3.631 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.727 -2.093 -5.195 1.00 0.00 H new ATOM 0 HG SER A 97 -14.767 -2.750 -5.677 1.00 0.00 H new