USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=34 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 96 SER OG : rot -120:sc= -0.456 USER MOD Set 1.2: A 97 SER OG : rot 45:sc= -0.254! USER MOD Set 2.1: A 62 THR OG1 : rot -16:sc= 2.1 USER MOD Set 2.2: A 81 CYS SG : rot -107:sc= -1.61 USER MOD Set 2.3: A 95 CYS SG : rot 163:sc= 1.47 USER MOD Set 3.1: A 48 ASN :FLIP amide:sc= -0.575! F(o=-13,f=-9.5!) USER MOD Set 3.2: A 73 ASN : amide:sc= -8.93! C(o=-9.5!,f=-12!) USER MOD Set 4.1: A 52 CYS SG : rot 102:sc= 0.988! USER MOD Set 4.2: A 65 CYS SG : rot -126:sc= -2.66! USER MOD Set 5.1: A 32 CYS SG : rot 170:sc= 0.94 USER MOD Set 5.2: A 44 CYS SG : rot -72:sc= -6.22! USER MOD Set 5.3: A 55 ASN : amide:sc= -1.75 X(o=-7,f=-6.6) USER MOD Set 6.1: A 8 CYS SG : rot 159:sc= 0.28 USER MOD Set 6.2: A 20 CYS SG : rot 29:sc= 0.215 USER MOD Set 6.3: A 89 TYR OH : rot -107:sc= 0.136 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 1.28 (180deg=0.456) USER MOD Single : A 6 HIS : no HD1:sc= -5.24 K(o=-5.2,f=-7!) USER MOD Single : A 11 THR OG1 : rot 6:sc= 0.885 USER MOD Single : A 16 LYS NZ :NH3+ -170:sc= -0.0223 (180deg=-0.199) USER MOD Single : A 17 ASN : amide:sc= 1.27 K(o=1.3,f=-0.41) USER MOD Single : A 27 THR OG1 : rot 97:sc= 1.29 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 0.976 (180deg=0.938) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -163:sc= -0.152 (180deg=-0.526) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 43 THR OG1 : rot -141:sc= -2.24! USER MOD Single : A 47 ASN : amide:sc= -2.21 K(o=-2.2,f=-4!) USER MOD Single : A 49 ASN : amide:sc= -0.0181 K(o=-0.018,f=-0.92) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.13 X(o=-3.1,f=-3.6!) USER MOD Single : A 59 CYS SG : rot -173:sc= -7.26! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.71! C(o=-2.7!,f=-3.6!) USER MOD Single : A 67 ASN : amide:sc= 0.525 K(o=0.52,f=-5.5!) USER MOD Single : A 70 SER OG : rot 25:sc= 0.887 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0885 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0286) USER MOD Single : A 76 LYS NZ :NH3+ -116:sc= 1.07 (180deg=-0.628) USER MOD Single : A 79 CYS SG : rot 102:sc= 0.54 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 26:sc= 1.53 USER MOD Single : A 87 ASN :FLIP amide:sc= -1.18 F(o=-1.8,f=-1.2) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 -11.254 -8.698 3.782 1.00 0.00 N ATOM 27 CA ASP A 3 -11.634 -8.676 2.383 1.00 0.00 C ATOM 28 C ASP A 3 -11.446 -7.283 1.806 1.00 0.00 C ATOM 29 O ASP A 3 -12.172 -6.371 2.155 1.00 0.00 O ATOM 30 CB ASP A 3 -13.091 -9.103 2.196 1.00 0.00 C ATOM 31 CG ASP A 3 -13.320 -10.581 2.414 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.152 -11.360 1.455 1.00 0.00 O ATOM 33 OD2 ASP A 3 -13.701 -10.966 3.538 1.00 0.00 O ATOM 0 HA ASP A 3 -10.991 -9.382 1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.718 -8.541 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.412 -8.839 1.189 1.00 0.00 H new ATOM 38 N PRO A 4 -10.420 -7.121 0.966 1.00 0.00 N ATOM 39 CA PRO A 4 -10.146 -5.931 0.133 1.00 0.00 C ATOM 40 C PRO A 4 -11.365 -5.203 -0.466 1.00 0.00 C ATOM 41 O PRO A 4 -11.210 -4.082 -0.927 1.00 0.00 O ATOM 42 CB PRO A 4 -9.363 -6.576 -1.005 1.00 0.00 C ATOM 43 CG PRO A 4 -8.602 -7.686 -0.388 1.00 0.00 C ATOM 44 CD PRO A 4 -9.318 -8.080 0.861 1.00 0.00 C ATOM 0 HA PRO A 4 -9.668 -5.150 0.724 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.033 -6.945 -1.782 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.693 -5.857 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.533 -8.531 -1.073 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.582 -7.373 -0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.687 -9.104 0.802 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -8.661 -8.027 1.729 1.00 0.00 H new ATOM 52 N LYS A 5 -12.540 -5.834 -0.468 1.00 0.00 N ATOM 53 CA LYS A 5 -13.833 -5.225 -0.915 1.00 0.00 C ATOM 54 C LYS A 5 -14.116 -3.788 -0.386 1.00 0.00 C ATOM 55 O LYS A 5 -15.207 -3.264 -0.575 1.00 0.00 O ATOM 56 CB LYS A 5 -14.969 -6.132 -0.467 1.00 0.00 C ATOM 57 CG LYS A 5 -14.860 -6.449 1.007 1.00 0.00 C ATOM 58 CD LYS A 5 -15.685 -5.518 1.877 1.00 0.00 C ATOM 59 CE LYS A 5 -17.169 -5.839 1.821 1.00 0.00 C ATOM 60 NZ LYS A 5 -17.913 -5.194 2.935 1.00 0.00 N ATOM 0 H LYS A 5 -12.642 -6.800 -0.157 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.757 -5.132 -1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -15.925 -5.650 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -14.950 -7.057 -1.044 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.182 -7.476 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.815 -6.389 1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.339 -5.587 2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -15.526 -4.489 1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.578 -5.504 0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.310 -6.919 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -18.934 -5.232 2.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.712 -5.696 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.614 -4.202 3.023 1.00 0.00 H new ATOM 74 N HIS A 6 -13.151 -3.197 0.297 1.00 0.00 N ATOM 75 CA HIS A 6 -13.258 -1.882 0.931 1.00 0.00 C ATOM 76 C HIS A 6 -13.479 -0.777 -0.098 1.00 0.00 C ATOM 77 O HIS A 6 -13.968 0.300 0.234 1.00 0.00 O ATOM 78 CB HIS A 6 -11.952 -1.572 1.657 1.00 0.00 C ATOM 79 CG HIS A 6 -11.554 -2.521 2.731 1.00 0.00 C ATOM 80 ND1 HIS A 6 -10.640 -2.213 3.715 1.00 0.00 N ATOM 81 CD2 HIS A 6 -11.885 -3.800 2.925 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.433 -3.275 4.463 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.184 -4.252 4.009 1.00 0.00 N ATOM 0 H HIS A 6 -12.237 -3.629 0.434 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.106 -1.913 1.615 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.151 -1.535 0.919 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.031 -0.576 2.092 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.581 -4.375 2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.761 -3.333 5.306 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.236 -5.193 4.400 1.00 0.00 H new ATOM 92 N VAL A 7 -13.088 -1.081 -1.333 1.00 0.00 N ATOM 93 CA VAL A 7 -13.151 -0.160 -2.485 1.00 0.00 C ATOM 94 C VAL A 7 -12.474 1.173 -2.241 1.00 0.00 C ATOM 95 O VAL A 7 -11.763 1.343 -1.266 1.00 0.00 O ATOM 96 CB VAL A 7 -14.604 0.080 -2.970 1.00 0.00 C ATOM 97 CG1 VAL A 7 -15.423 -1.195 -2.889 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.285 1.190 -2.191 1.00 0.00 C ATOM 0 H VAL A 7 -12.708 -1.996 -1.576 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.593 -0.672 -3.269 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.543 0.392 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.438 -0.998 -3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.967 -1.961 -3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.453 -1.543 -1.857 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.301 1.325 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.318 0.926 -1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.726 2.118 -2.316 1.00 0.00 H new ATOM 108 N CYS A 8 -12.570 2.042 -3.246 1.00 0.00 N ATOM 109 CA CYS A 8 -12.205 3.438 -3.122 1.00 0.00 C ATOM 110 C CYS A 8 -12.911 4.230 -4.208 1.00 0.00 C ATOM 111 O CYS A 8 -13.193 3.697 -5.284 1.00 0.00 O ATOM 112 CB CYS A 8 -10.691 3.594 -3.210 1.00 0.00 C ATOM 113 SG CYS A 8 -9.989 3.396 -4.866 1.00 0.00 S ATOM 0 H CYS A 8 -12.907 1.787 -4.174 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.517 3.822 -2.151 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.421 4.581 -2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.228 2.863 -2.547 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.824 3.971 -4.915 1.00 0.00 H new ATOM 119 N VAL A 9 -13.226 5.480 -3.924 1.00 0.00 N ATOM 120 CA VAL A 9 -13.875 6.328 -4.910 1.00 0.00 C ATOM 121 C VAL A 9 -13.210 7.695 -4.962 1.00 0.00 C ATOM 122 O VAL A 9 -12.779 8.158 -6.018 1.00 0.00 O ATOM 123 CB VAL A 9 -15.380 6.520 -4.601 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.029 7.446 -5.616 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.108 5.184 -4.572 1.00 0.00 C ATOM 0 H VAL A 9 -13.045 5.929 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 9 -13.774 5.827 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.457 6.977 -3.614 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.086 7.565 -5.377 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -15.539 8.419 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -15.928 7.020 -6.614 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.163 5.349 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -16.011 4.696 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.672 4.549 -3.801 1.00 0.00 H new ATOM 135 N ASP A 10 -13.113 8.319 -3.802 1.00 0.00 N ATOM 136 CA ASP A 10 -12.674 9.704 -3.698 1.00 0.00 C ATOM 137 C ASP A 10 -11.161 9.774 -3.709 1.00 0.00 C ATOM 138 O ASP A 10 -10.561 10.286 -4.652 1.00 0.00 O ATOM 139 CB ASP A 10 -13.188 10.327 -2.399 1.00 0.00 C ATOM 140 CG ASP A 10 -14.382 9.601 -1.814 1.00 0.00 C ATOM 141 OD1 ASP A 10 -14.197 8.471 -1.301 1.00 0.00 O ATOM 142 OD2 ASP A 10 -15.496 10.162 -1.841 1.00 0.00 O ATOM 0 H ASP A 10 -13.335 7.884 -2.906 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.074 10.254 -4.550 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.382 10.335 -1.665 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -13.460 11.366 -2.586 1.00 0.00 H new ATOM 147 N THR A 11 -10.558 9.259 -2.645 1.00 0.00 N ATOM 148 CA THR A 11 -9.108 9.194 -2.506 1.00 0.00 C ATOM 149 C THR A 11 -8.448 10.561 -2.718 1.00 0.00 C ATOM 150 O THR A 11 -7.405 10.680 -3.360 1.00 0.00 O ATOM 151 CB THR A 11 -8.510 8.123 -3.448 1.00 0.00 C ATOM 152 OG1 THR A 11 -8.713 8.460 -4.827 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.158 6.774 -3.164 1.00 0.00 C ATOM 0 H THR A 11 -11.064 8.872 -1.849 1.00 0.00 H new ATOM 0 HA THR A 11 -8.892 8.897 -1.480 1.00 0.00 H new ATOM 0 HB THR A 11 -7.437 8.076 -3.261 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.112 9.353 -4.890 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.736 6.020 -3.829 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.970 6.491 -2.128 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.233 6.844 -3.332 1.00 0.00 H new ATOM 161 N ARG A 12 -9.073 11.594 -2.157 1.00 0.00 N ATOM 162 CA ARG A 12 -8.524 12.944 -2.203 1.00 0.00 C ATOM 163 C ARG A 12 -7.504 13.127 -1.087 1.00 0.00 C ATOM 164 O ARG A 12 -6.637 14.000 -1.146 1.00 0.00 O ATOM 165 CB ARG A 12 -9.642 13.978 -2.076 1.00 0.00 C ATOM 166 CG ARG A 12 -10.596 13.986 -3.239 1.00 0.00 C ATOM 167 CD ARG A 12 -9.938 14.553 -4.467 1.00 0.00 C ATOM 168 NE ARG A 12 -10.852 14.581 -5.601 1.00 0.00 N ATOM 169 CZ ARG A 12 -10.628 15.271 -6.720 1.00 0.00 C ATOM 170 NH1 ARG A 12 -9.552 16.044 -6.818 1.00 0.00 N ATOM 171 NH2 ARG A 12 -11.483 15.205 -7.735 1.00 0.00 N ATOM 0 H ARG A 12 -9.963 11.520 -1.664 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.028 13.090 -3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.201 13.784 -1.161 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.198 14.969 -1.975 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.939 12.971 -3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.477 14.576 -2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.586 15.563 -4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.062 13.956 -4.720 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.715 14.041 -5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.898 16.109 -6.038 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.380 16.572 -7.673 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.318 14.624 -7.662 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -11.305 15.736 -8.588 1.00 0.00 H new ATOM 185 N ASP A 13 -7.618 12.280 -0.072 1.00 0.00 N ATOM 186 CA ASP A 13 -6.693 12.271 1.060 1.00 0.00 C ATOM 187 C ASP A 13 -5.365 11.662 0.640 1.00 0.00 C ATOM 188 O ASP A 13 -4.390 11.683 1.388 1.00 0.00 O ATOM 189 CB ASP A 13 -7.264 11.422 2.207 1.00 0.00 C ATOM 190 CG ASP A 13 -8.759 11.583 2.399 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.526 11.209 1.483 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.180 12.040 3.479 1.00 0.00 O ATOM 0 H ASP A 13 -8.355 11.578 -0.008 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.551 13.300 1.391 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.042 10.372 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.757 11.691 3.134 1.00 0.00 H new ATOM 197 N ILE A 14 -5.351 11.121 -0.568 1.00 0.00 N ATOM 198 CA ILE A 14 -4.258 10.294 -1.047 1.00 0.00 C ATOM 199 C ILE A 14 -3.162 11.145 -1.702 1.00 0.00 C ATOM 200 O ILE A 14 -3.374 11.770 -2.744 1.00 0.00 O ATOM 201 CB ILE A 14 -4.793 9.219 -2.033 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.537 8.081 -1.289 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.656 8.640 -2.870 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.645 8.522 -0.342 1.00 0.00 C ATOM 0 H ILE A 14 -6.102 11.245 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.810 9.788 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.505 9.712 -2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.966 7.407 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.806 7.506 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.053 7.889 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.183 9.438 -3.442 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.919 8.179 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.096 7.646 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.228 9.168 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.405 9.068 -0.901 1.00 0.00 H new ATOM 216 N PRO A 15 -1.996 11.212 -1.037 1.00 0.00 N ATOM 217 CA PRO A 15 -0.818 11.973 -1.491 1.00 0.00 C ATOM 218 C PRO A 15 -0.086 11.371 -2.689 1.00 0.00 C ATOM 219 O PRO A 15 -0.502 10.367 -3.271 1.00 0.00 O ATOM 220 CB PRO A 15 0.122 11.932 -0.284 1.00 0.00 C ATOM 221 CG PRO A 15 -0.706 11.468 0.854 1.00 0.00 C ATOM 222 CD PRO A 15 -1.764 10.598 0.266 1.00 0.00 C ATOM 0 HA PRO A 15 -1.129 12.964 -1.821 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.958 11.255 -0.462 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.546 12.916 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.103 10.916 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.146 12.312 1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.433 9.564 0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.667 10.590 0.876 1.00 0.00 H new ATOM 230 N LYS A 16 1.029 12.014 -3.033 1.00 0.00 N ATOM 231 CA LYS A 16 1.918 11.549 -4.084 1.00 0.00 C ATOM 232 C LYS A 16 2.650 10.282 -3.679 1.00 0.00 C ATOM 233 O LYS A 16 2.950 10.087 -2.497 1.00 0.00 O ATOM 234 CB LYS A 16 2.958 12.612 -4.390 1.00 0.00 C ATOM 235 CG LYS A 16 3.030 12.975 -5.850 1.00 0.00 C ATOM 236 CD LYS A 16 4.279 13.782 -6.171 1.00 0.00 C ATOM 237 CE LYS A 16 4.326 15.089 -5.394 1.00 0.00 C ATOM 238 NZ LYS A 16 3.163 15.960 -5.706 1.00 0.00 N ATOM 0 H LYS A 16 1.338 12.877 -2.585 1.00 0.00 H new ATOM 0 HA LYS A 16 1.302 11.343 -4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.733 13.508 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.936 12.258 -4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.020 12.066 -6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.145 13.549 -6.126 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.164 13.189 -5.938 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.309 13.994 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.344 14.876 -4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.250 15.618 -5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.314 16.902 -5.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.061 16.046 -6.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.299 15.542 -5.306 1.00 0.00 H new ATOM 252 N ASN A 17 2.945 9.439 -4.674 1.00 0.00 N ATOM 253 CA ASN A 17 3.701 8.199 -4.470 1.00 0.00 C ATOM 254 C ASN A 17 2.944 7.266 -3.543 1.00 0.00 C ATOM 255 O ASN A 17 3.478 6.270 -3.045 1.00 0.00 O ATOM 256 CB ASN A 17 5.089 8.502 -3.903 1.00 0.00 C ATOM 257 CG ASN A 17 5.904 9.402 -4.811 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.871 9.271 -6.035 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.614 10.345 -4.215 1.00 0.00 N ATOM 0 H ASN A 17 2.667 9.597 -5.643 1.00 0.00 H new ATOM 0 HA ASN A 17 3.824 7.708 -5.435 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.984 8.976 -2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.626 7.567 -3.747 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.163 11.000 -4.773 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.613 10.418 -3.198 1.00 0.00 H new ATOM 266 N ALA A 18 1.692 7.609 -3.323 1.00 0.00 N ATOM 267 CA ALA A 18 0.823 6.856 -2.463 1.00 0.00 C ATOM 268 C ALA A 18 -0.314 6.277 -3.274 1.00 0.00 C ATOM 269 O ALA A 18 -0.872 6.942 -4.148 1.00 0.00 O ATOM 270 CB ALA A 18 0.285 7.747 -1.353 1.00 0.00 C ATOM 0 H ALA A 18 1.251 8.427 -3.743 1.00 0.00 H new ATOM 0 HA ALA A 18 1.384 6.040 -2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.373 7.166 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.116 8.139 -0.767 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.274 8.575 -1.790 1.00 0.00 H new ATOM 276 N GLY A 19 -0.633 5.035 -3.002 1.00 0.00 N ATOM 277 CA GLY A 19 -1.739 4.396 -3.670 1.00 0.00 C ATOM 278 C GLY A 19 -3.045 4.751 -2.994 1.00 0.00 C ATOM 279 O GLY A 19 -3.047 5.179 -1.837 1.00 0.00 O ATOM 0 H GLY A 19 -0.144 4.449 -2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.768 4.705 -4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.601 3.315 -3.661 1.00 0.00 H new ATOM 283 N CYS A 20 -4.151 4.602 -3.690 1.00 0.00 N ATOM 284 CA CYS A 20 -5.421 5.023 -3.145 1.00 0.00 C ATOM 285 C CYS A 20 -6.259 3.838 -2.648 1.00 0.00 C ATOM 286 O CYS A 20 -6.452 2.851 -3.363 1.00 0.00 O ATOM 287 CB CYS A 20 -6.172 5.828 -4.200 1.00 0.00 C ATOM 288 SG CYS A 20 -6.539 4.923 -5.722 1.00 0.00 S ATOM 0 H CYS A 20 -4.196 4.197 -4.625 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.234 5.650 -2.273 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.109 6.182 -3.769 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.583 6.710 -4.451 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.670 3.658 -5.454 1.00 0.00 H new ATOM 294 N PHE A 21 -6.745 3.937 -1.410 1.00 0.00 N ATOM 295 CA PHE A 21 -7.547 2.881 -0.804 1.00 0.00 C ATOM 296 C PHE A 21 -8.664 3.487 0.042 1.00 0.00 C ATOM 297 O PHE A 21 -8.573 4.630 0.461 1.00 0.00 O ATOM 298 CB PHE A 21 -6.642 1.998 0.063 1.00 0.00 C ATOM 299 CG PHE A 21 -7.298 0.775 0.650 1.00 0.00 C ATOM 300 CD1 PHE A 21 -7.898 -0.179 -0.161 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.287 0.566 2.020 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.476 -1.313 0.392 1.00 0.00 C ATOM 303 CE2 PHE A 21 -7.863 -0.564 2.569 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.452 -1.503 1.747 1.00 0.00 C ATOM 0 H PHE A 21 -6.594 4.745 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.002 2.274 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.791 1.679 -0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.247 2.603 0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -7.915 -0.037 -1.232 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.822 1.295 2.667 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.945 -2.046 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.852 -0.712 3.639 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.895 -2.390 2.174 1.00 0.00 H new ATOM 314 N ARG A 22 -9.749 2.759 0.206 1.00 0.00 N ATOM 315 CA ARG A 22 -10.739 3.074 1.217 1.00 0.00 C ATOM 316 C ARG A 22 -10.804 1.895 2.148 1.00 0.00 C ATOM 317 O ARG A 22 -10.580 0.782 1.713 1.00 0.00 O ATOM 318 CB ARG A 22 -12.123 3.282 0.611 1.00 0.00 C ATOM 319 CG ARG A 22 -12.911 4.395 1.276 1.00 0.00 C ATOM 320 CD ARG A 22 -13.641 5.261 0.264 1.00 0.00 C ATOM 321 NE ARG A 22 -14.728 4.535 -0.387 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.792 5.115 -0.948 1.00 0.00 C ATOM 323 NH1 ARG A 22 -15.856 6.434 -1.079 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.791 4.369 -1.398 1.00 0.00 N ATOM 0 H ARG A 22 -9.970 1.936 -0.354 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.454 3.996 1.724 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.017 3.506 -0.450 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.688 2.353 0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.632 3.963 1.970 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.235 5.016 1.864 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.041 6.144 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.936 5.612 -0.489 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.671 3.517 -0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.087 7.017 -0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.674 6.865 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.746 3.353 -1.316 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.604 4.811 -1.827 1.00 0.00 H new ATOM 338 N ASP A 23 -11.049 2.113 3.417 1.00 0.00 N ATOM 339 CA ASP A 23 -11.287 0.990 4.304 1.00 0.00 C ATOM 340 C ASP A 23 -12.779 0.687 4.308 1.00 0.00 C ATOM 341 O ASP A 23 -13.577 1.524 3.893 1.00 0.00 O ATOM 342 CB ASP A 23 -10.788 1.294 5.716 1.00 0.00 C ATOM 343 CG ASP A 23 -10.965 0.114 6.641 1.00 0.00 C ATOM 344 OD1 ASP A 23 -10.296 -0.916 6.428 1.00 0.00 O ATOM 345 OD2 ASP A 23 -11.806 0.197 7.554 1.00 0.00 O ATOM 0 H ASP A 23 -11.089 3.033 3.856 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.736 0.119 3.949 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.734 1.570 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.328 2.153 6.115 1.00 0.00 H new ATOM 350 N ASP A 24 -13.159 -0.499 4.771 1.00 0.00 N ATOM 351 CA ASP A 24 -14.559 -0.918 4.742 1.00 0.00 C ATOM 352 C ASP A 24 -15.395 -0.041 5.669 1.00 0.00 C ATOM 353 O ASP A 24 -16.620 0.008 5.568 1.00 0.00 O ATOM 354 CB ASP A 24 -14.683 -2.390 5.133 1.00 0.00 C ATOM 355 CG ASP A 24 -16.106 -2.903 5.024 1.00 0.00 C ATOM 356 OD1 ASP A 24 -16.601 -3.070 3.889 1.00 0.00 O ATOM 357 OD2 ASP A 24 -16.726 -3.161 6.076 1.00 0.00 O ATOM 0 H ASP A 24 -12.520 -1.187 5.170 1.00 0.00 H new ATOM 0 HA ASP A 24 -14.937 -0.801 3.726 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.035 -2.988 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.330 -2.522 6.156 1.00 0.00 H new ATOM 362 N ASP A 25 -14.709 0.658 6.564 1.00 0.00 N ATOM 363 CA ASP A 25 -15.339 1.657 7.418 1.00 0.00 C ATOM 364 C ASP A 25 -15.845 2.833 6.583 1.00 0.00 C ATOM 365 O ASP A 25 -16.830 3.484 6.932 1.00 0.00 O ATOM 366 CB ASP A 25 -14.330 2.154 8.460 1.00 0.00 C ATOM 367 CG ASP A 25 -14.825 3.360 9.228 1.00 0.00 C ATOM 368 OD1 ASP A 25 -15.632 3.185 10.164 1.00 0.00 O ATOM 369 OD2 ASP A 25 -14.408 4.491 8.898 1.00 0.00 O ATOM 0 H ASP A 25 -13.707 0.550 6.718 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.189 1.200 7.925 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.111 1.348 9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.394 2.406 7.961 1.00 0.00 H new ATOM 374 N GLY A 26 -15.186 3.073 5.457 1.00 0.00 N ATOM 375 CA GLY A 26 -15.513 4.210 4.617 1.00 0.00 C ATOM 376 C GLY A 26 -14.450 5.275 4.692 1.00 0.00 C ATOM 377 O GLY A 26 -14.424 6.205 3.885 1.00 0.00 O ATOM 0 H GLY A 26 -14.423 2.494 5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -15.627 3.880 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.471 4.628 4.926 1.00 0.00 H new ATOM 381 N THR A 27 -13.571 5.144 5.671 1.00 0.00 N ATOM 382 CA THR A 27 -12.416 6.005 5.768 1.00 0.00 C ATOM 383 C THR A 27 -11.420 5.654 4.680 1.00 0.00 C ATOM 384 O THR A 27 -10.953 4.520 4.605 1.00 0.00 O ATOM 385 CB THR A 27 -11.740 5.891 7.145 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.655 6.284 8.182 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.486 6.755 7.207 1.00 0.00 C ATOM 0 H THR A 27 -13.640 4.445 6.411 1.00 0.00 H new ATOM 0 HA THR A 27 -12.754 7.034 5.642 1.00 0.00 H new ATOM 0 HB THR A 27 -11.452 4.851 7.297 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.080 5.487 8.563 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.025 6.658 8.190 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.781 6.429 6.442 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.753 7.797 7.033 1.00 0.00 H new ATOM 395 N LYS A 28 -11.127 6.611 3.815 1.00 0.00 N ATOM 396 CA LYS A 28 -10.158 6.388 2.766 1.00 0.00 C ATOM 397 C LYS A 28 -8.775 6.446 3.350 1.00 0.00 C ATOM 398 O LYS A 28 -8.475 7.284 4.206 1.00 0.00 O ATOM 399 CB LYS A 28 -10.255 7.423 1.654 1.00 0.00 C ATOM 400 CG LYS A 28 -11.659 7.849 1.316 1.00 0.00 C ATOM 401 CD LYS A 28 -11.643 9.110 0.483 1.00 0.00 C ATOM 402 CE LYS A 28 -12.555 10.180 1.066 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.030 10.717 2.347 1.00 0.00 N ATOM 0 H LYS A 28 -11.545 7.541 3.821 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.367 5.409 2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.682 8.304 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.786 7.019 0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.166 7.053 0.771 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.225 8.018 2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.624 9.493 0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.958 8.878 -0.535 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.665 10.994 0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.548 9.762 1.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.747 11.328 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.805 9.929 2.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.169 11.271 2.164 1.00 0.00 H new ATOM 417 N GLU A 29 -7.942 5.570 2.873 1.00 0.00 N ATOM 418 CA GLU A 29 -6.588 5.493 3.323 1.00 0.00 C ATOM 419 C GLU A 29 -5.632 5.602 2.172 1.00 0.00 C ATOM 420 O GLU A 29 -6.007 5.512 1.004 1.00 0.00 O ATOM 421 CB GLU A 29 -6.318 4.190 4.039 1.00 0.00 C ATOM 422 CG GLU A 29 -7.054 4.057 5.353 1.00 0.00 C ATOM 423 CD GLU A 29 -6.589 2.858 6.153 1.00 0.00 C ATOM 424 OE1 GLU A 29 -5.415 2.858 6.594 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.380 1.913 6.342 1.00 0.00 O ATOM 0 H GLU A 29 -8.186 4.886 2.157 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.439 6.325 4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.601 3.362 3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.247 4.101 4.221 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.908 4.963 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.123 3.970 5.161 1.00 0.00 H new ATOM 432 N TRP A 30 -4.395 5.793 2.526 1.00 0.00 N ATOM 433 CA TRP A 30 -3.326 5.793 1.579 1.00 0.00 C ATOM 434 C TRP A 30 -2.114 5.175 2.212 1.00 0.00 C ATOM 435 O TRP A 30 -1.919 5.244 3.429 1.00 0.00 O ATOM 436 CB TRP A 30 -3.000 7.197 1.120 1.00 0.00 C ATOM 437 CG TRP A 30 -2.822 8.152 2.247 1.00 0.00 C ATOM 438 CD1 TRP A 30 -3.810 8.733 2.978 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.585 8.633 2.772 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.265 9.585 3.902 1.00 0.00 N ATOM 441 CE2 TRP A 30 -1.901 9.538 3.801 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.239 8.398 2.468 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -0.924 10.212 4.520 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.725 9.065 3.186 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.375 9.964 4.201 1.00 0.00 C ATOM 0 H TRP A 30 -4.100 5.954 3.489 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.633 5.216 0.706 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.089 7.175 0.522 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.799 7.555 0.470 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.867 8.550 2.850 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.791 10.161 4.559 1.00 0.00 H new ATOM 0 HE3 TRP A 30 0.037 7.707 1.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.185 10.908 5.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.768 8.893 2.964 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.157 10.474 4.745 1.00 0.00 H new ATOM 456 N ARG A 31 -1.322 4.573 1.386 1.00 0.00 N ATOM 457 CA ARG A 31 -0.123 3.921 1.807 1.00 0.00 C ATOM 458 C ARG A 31 0.937 4.280 0.835 1.00 0.00 C ATOM 459 O ARG A 31 0.658 4.805 -0.242 1.00 0.00 O ATOM 460 CB ARG A 31 -0.300 2.405 1.894 1.00 0.00 C ATOM 461 CG ARG A 31 -1.439 2.015 2.804 1.00 0.00 C ATOM 462 CD ARG A 31 -1.724 0.529 2.792 1.00 0.00 C ATOM 463 NE ARG A 31 -2.815 0.196 3.708 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.643 -0.165 4.978 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.416 -0.372 5.454 1.00 0.00 N ATOM 466 NH2 ARG A 31 -3.696 -0.344 5.764 1.00 0.00 N ATOM 0 H ARG A 31 -1.492 4.519 0.382 1.00 0.00 H new ATOM 0 HA ARG A 31 0.147 4.250 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.481 2.004 0.897 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.623 1.953 2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.206 2.326 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.338 2.554 2.504 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.984 0.213 1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.826 -0.019 3.076 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.769 0.243 3.351 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.606 -0.254 4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.286 -0.648 6.427 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.637 -0.205 5.396 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.565 -0.621 6.737 1.00 0.00 H new ATOM 480 N CYS A 32 2.129 3.959 1.181 1.00 0.00 N ATOM 481 CA CYS A 32 3.254 4.408 0.433 1.00 0.00 C ATOM 482 C CYS A 32 3.770 3.213 -0.294 1.00 0.00 C ATOM 483 O CYS A 32 3.899 2.145 0.290 1.00 0.00 O ATOM 484 CB CYS A 32 4.309 4.965 1.378 1.00 0.00 C ATOM 485 SG CYS A 32 3.653 5.515 2.974 1.00 0.00 S ATOM 0 H CYS A 32 2.357 3.379 1.988 1.00 0.00 H new ATOM 0 HA CYS A 32 2.990 5.203 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.066 4.200 1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.809 5.804 0.894 1.00 0.00 H new ATOM 0 HG CYS A 32 4.638 5.771 3.783 1.00 0.00 H new ATOM 491 N LEU A 33 3.961 3.412 -1.588 1.00 0.00 N ATOM 492 CA LEU A 33 4.260 2.351 -2.537 1.00 0.00 C ATOM 493 C LEU A 33 5.327 1.384 -2.048 1.00 0.00 C ATOM 494 O LEU A 33 5.963 1.606 -1.031 1.00 0.00 O ATOM 495 CB LEU A 33 4.649 2.989 -3.859 1.00 0.00 C ATOM 496 CG LEU A 33 3.529 3.003 -4.900 1.00 0.00 C ATOM 497 CD1 LEU A 33 2.170 3.195 -4.236 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.771 4.113 -5.896 1.00 0.00 C ATOM 0 H LEU A 33 3.911 4.336 -2.018 1.00 0.00 H new ATOM 0 HA LEU A 33 3.366 1.740 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.971 4.014 -3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.505 2.454 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 33 3.528 2.043 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.390 3.201 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.988 2.378 -3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.159 4.143 -3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.970 4.119 -6.636 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.792 5.071 -5.376 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.726 3.951 -6.396 1.00 0.00 H new ATOM 510 N LEU A 34 5.526 0.309 -2.776 1.00 0.00 N ATOM 511 CA LEU A 34 6.403 -0.748 -2.311 1.00 0.00 C ATOM 512 C LEU A 34 7.800 -0.222 -2.055 1.00 0.00 C ATOM 513 O LEU A 34 8.432 0.345 -2.936 1.00 0.00 O ATOM 514 CB LEU A 34 6.423 -1.890 -3.308 1.00 0.00 C ATOM 515 CG LEU A 34 5.055 -2.508 -3.558 1.00 0.00 C ATOM 516 CD1 LEU A 34 5.174 -3.707 -4.460 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.395 -2.894 -2.246 1.00 0.00 C ATOM 0 H LEU A 34 5.097 0.141 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 34 6.016 -1.126 -1.365 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.827 -1.528 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.101 -2.664 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 34 4.429 -1.765 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.186 -4.136 -4.628 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.604 -3.403 -5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.818 -4.452 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.418 -3.334 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.020 -3.619 -1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.273 -2.006 -1.625 1.00 0.00 H new ATOM 529 N GLY A 35 8.252 -0.375 -0.823 1.00 0.00 N ATOM 530 CA GLY A 35 9.556 0.121 -0.446 1.00 0.00 C ATOM 531 C GLY A 35 9.575 1.621 -0.223 1.00 0.00 C ATOM 532 O GLY A 35 10.640 2.243 -0.202 1.00 0.00 O ATOM 0 H GLY A 35 7.736 -0.836 -0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.880 -0.381 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.275 -0.135 -1.224 1.00 0.00 H new ATOM 536 N TYR A 36 8.398 2.201 -0.064 1.00 0.00 N ATOM 537 CA TYR A 36 8.254 3.627 0.161 1.00 0.00 C ATOM 538 C TYR A 36 7.915 3.924 1.616 1.00 0.00 C ATOM 539 O TYR A 36 7.693 3.014 2.418 1.00 0.00 O ATOM 540 CB TYR A 36 7.148 4.186 -0.735 1.00 0.00 C ATOM 541 CG TYR A 36 7.525 4.334 -2.193 1.00 0.00 C ATOM 542 CD1 TYR A 36 8.072 3.284 -2.914 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.339 5.538 -2.837 1.00 0.00 C ATOM 544 CE1 TYR A 36 8.417 3.434 -4.242 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.682 5.703 -4.157 1.00 0.00 C ATOM 546 CZ TYR A 36 8.220 4.650 -4.863 1.00 0.00 C ATOM 547 OH TYR A 36 8.571 4.820 -6.183 1.00 0.00 O ATOM 0 H TYR A 36 7.513 1.694 -0.088 1.00 0.00 H new ATOM 0 HA TYR A 36 9.205 4.102 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.278 3.533 -0.664 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.847 5.161 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.231 2.332 -2.428 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.915 6.369 -2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.838 2.605 -4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.530 6.657 -4.640 1.00 0.00 H new ATOM 0 HH TYR A 36 8.363 5.736 -6.461 1.00 0.00 H new ATOM 557 N LYS A 37 7.873 5.209 1.946 1.00 0.00 N ATOM 558 CA LYS A 37 7.510 5.662 3.273 1.00 0.00 C ATOM 559 C LYS A 37 7.036 7.098 3.191 1.00 0.00 C ATOM 560 O LYS A 37 7.048 7.689 2.124 1.00 0.00 O ATOM 561 CB LYS A 37 8.713 5.593 4.197 1.00 0.00 C ATOM 562 CG LYS A 37 9.863 6.464 3.731 1.00 0.00 C ATOM 563 CD LYS A 37 10.969 6.506 4.764 1.00 0.00 C ATOM 564 CE LYS A 37 11.817 7.759 4.640 1.00 0.00 C ATOM 565 NZ LYS A 37 12.777 7.880 5.768 1.00 0.00 N ATOM 0 H LYS A 37 8.091 5.964 1.296 1.00 0.00 H new ATOM 0 HA LYS A 37 6.719 5.023 3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.414 5.900 5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.052 4.559 4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.255 6.080 2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.503 7.475 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.534 6.460 5.762 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.603 5.627 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.363 7.738 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.171 8.636 4.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.341 8.746 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.254 7.924 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.409 7.054 5.776 1.00 0.00 H new ATOM 579 N LYS A 38 6.620 7.649 4.309 1.00 0.00 N ATOM 580 CA LYS A 38 6.262 9.057 4.372 1.00 0.00 C ATOM 581 C LYS A 38 7.503 9.934 4.455 1.00 0.00 C ATOM 582 O LYS A 38 8.383 9.701 5.284 1.00 0.00 O ATOM 583 CB LYS A 38 5.359 9.301 5.559 1.00 0.00 C ATOM 584 CG LYS A 38 4.180 8.368 5.533 1.00 0.00 C ATOM 585 CD LYS A 38 2.893 9.070 5.828 1.00 0.00 C ATOM 586 CE LYS A 38 2.766 9.446 7.294 1.00 0.00 C ATOM 587 NZ LYS A 38 2.839 8.257 8.182 1.00 0.00 N ATOM 0 H LYS A 38 6.520 7.147 5.191 1.00 0.00 H new ATOM 0 HA LYS A 38 5.730 9.321 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.920 9.160 6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.011 10.334 5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.116 7.894 4.554 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.333 7.573 6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.824 9.970 5.217 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.058 8.428 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.559 10.145 7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.819 9.961 7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.468 8.503 9.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.271 7.486 7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.829 7.949 8.270 1.00 0.00 H new ATOM 601 N GLY A 39 7.578 10.930 3.586 1.00 0.00 N ATOM 602 CA GLY A 39 8.745 11.786 3.553 1.00 0.00 C ATOM 603 C GLY A 39 8.396 13.251 3.425 1.00 0.00 C ATOM 604 O GLY A 39 8.865 14.078 4.208 1.00 0.00 O ATOM 0 H GLY A 39 6.854 11.161 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.327 11.634 4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.380 11.494 2.716 1.00 0.00 H new ATOM 608 N GLU A 40 7.567 13.563 2.438 1.00 0.00 N ATOM 609 CA GLU A 40 7.219 14.945 2.123 1.00 0.00 C ATOM 610 C GLU A 40 6.502 15.610 3.301 1.00 0.00 C ATOM 611 O GLU A 40 7.036 16.510 3.947 1.00 0.00 O ATOM 612 CB GLU A 40 6.322 14.989 0.875 1.00 0.00 C ATOM 613 CG GLU A 40 6.741 14.037 -0.240 1.00 0.00 C ATOM 614 CD GLU A 40 8.024 14.461 -0.935 1.00 0.00 C ATOM 615 OE1 GLU A 40 8.987 14.833 -0.241 1.00 0.00 O ATOM 616 OE2 GLU A 40 8.075 14.417 -2.182 1.00 0.00 O ATOM 0 H GLU A 40 7.119 12.872 1.836 1.00 0.00 H new ATOM 0 HA GLU A 40 8.140 15.493 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.299 14.755 1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.316 16.006 0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.872 13.037 0.174 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.940 13.974 -0.976 1.00 0.00 H new ATOM 623 N GLY A 41 5.290 15.144 3.570 1.00 0.00 N ATOM 624 CA GLY A 41 4.482 15.667 4.657 1.00 0.00 C ATOM 625 C GLY A 41 3.055 15.208 4.486 1.00 0.00 C ATOM 626 O GLY A 41 2.278 15.852 3.777 1.00 0.00 O ATOM 0 H GLY A 41 4.843 14.395 3.041 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.874 15.323 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.527 16.756 4.667 1.00 0.00 H new ATOM 630 N ASN A 42 2.717 14.077 5.117 1.00 0.00 N ATOM 631 CA ASN A 42 1.508 13.337 4.765 1.00 0.00 C ATOM 632 C ASN A 42 1.609 12.947 3.308 1.00 0.00 C ATOM 633 O ASN A 42 0.789 13.351 2.490 1.00 0.00 O ATOM 634 CB ASN A 42 0.243 14.166 4.989 1.00 0.00 C ATOM 635 CG ASN A 42 -0.274 14.107 6.413 1.00 0.00 C ATOM 636 OD1 ASN A 42 0.493 13.958 7.363 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.584 14.223 6.569 1.00 0.00 N ATOM 0 H ASN A 42 3.263 13.659 5.870 1.00 0.00 H new ATOM 0 HA ASN A 42 1.433 12.458 5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.448 15.204 4.728 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.537 13.815 4.313 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.991 14.190 7.504 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.186 14.345 5.755 1.00 0.00 H new ATOM 644 N THR A 43 2.644 12.184 2.984 1.00 0.00 N ATOM 645 CA THR A 43 2.970 11.883 1.599 1.00 0.00 C ATOM 646 C THR A 43 3.868 10.661 1.554 1.00 0.00 C ATOM 647 O THR A 43 4.158 10.074 2.591 1.00 0.00 O ATOM 648 CB THR A 43 3.695 13.057 0.920 1.00 0.00 C ATOM 649 OG1 THR A 43 3.418 14.287 1.596 1.00 0.00 O ATOM 650 CG2 THR A 43 3.266 13.194 -0.527 1.00 0.00 C ATOM 0 H THR A 43 3.274 11.761 3.666 1.00 0.00 H new ATOM 0 HA THR A 43 2.038 11.700 1.065 1.00 0.00 H new ATOM 0 HB THR A 43 4.763 12.847 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.311 15.005 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.793 14.031 -0.985 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.504 12.277 -1.066 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.192 13.373 -0.573 1.00 0.00 H new ATOM 658 N CYS A 44 4.311 10.276 0.370 1.00 0.00 N ATOM 659 CA CYS A 44 5.144 9.097 0.231 1.00 0.00 C ATOM 660 C CYS A 44 6.365 9.374 -0.636 1.00 0.00 C ATOM 661 O CYS A 44 6.325 10.201 -1.544 1.00 0.00 O ATOM 662 CB CYS A 44 4.308 7.966 -0.345 1.00 0.00 C ATOM 663 SG CYS A 44 2.796 7.666 0.598 1.00 0.00 S ATOM 0 H CYS A 44 4.109 10.761 -0.504 1.00 0.00 H new ATOM 0 HA CYS A 44 5.516 8.808 1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.047 8.202 -1.377 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.904 7.054 -0.367 1.00 0.00 H new ATOM 0 HG CYS A 44 3.096 7.112 1.735 1.00 0.00 H new ATOM 669 N VAL A 45 7.448 8.688 -0.310 1.00 0.00 N ATOM 670 CA VAL A 45 8.723 8.813 -0.987 1.00 0.00 C ATOM 671 C VAL A 45 9.423 7.467 -0.966 1.00 0.00 C ATOM 672 O VAL A 45 9.068 6.595 -0.171 1.00 0.00 O ATOM 673 CB VAL A 45 9.650 9.835 -0.288 1.00 0.00 C ATOM 674 CG1 VAL A 45 9.090 11.245 -0.386 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.874 9.448 1.172 1.00 0.00 C ATOM 0 H VAL A 45 7.462 8.012 0.453 1.00 0.00 H new ATOM 0 HA VAL A 45 8.526 9.154 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 45 10.611 9.819 -0.803 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.764 11.940 0.115 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.993 11.526 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.111 11.282 0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.529 10.179 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.917 9.426 1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.336 8.462 1.220 1.00 0.00 H new ATOM 685 N GLU A 46 10.408 7.303 -1.826 1.00 0.00 N ATOM 686 CA GLU A 46 11.213 6.095 -1.852 1.00 0.00 C ATOM 687 C GLU A 46 12.014 5.964 -0.556 1.00 0.00 C ATOM 688 O GLU A 46 13.006 6.666 -0.358 1.00 0.00 O ATOM 689 CB GLU A 46 12.152 6.134 -3.054 1.00 0.00 C ATOM 690 CG GLU A 46 11.877 5.051 -4.079 1.00 0.00 C ATOM 691 CD GLU A 46 12.698 5.220 -5.339 1.00 0.00 C ATOM 692 OE1 GLU A 46 13.824 4.690 -5.394 1.00 0.00 O ATOM 693 OE2 GLU A 46 12.215 5.876 -6.284 1.00 0.00 O ATOM 0 H GLU A 46 10.673 7.998 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 46 10.557 5.229 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.069 7.108 -3.537 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.180 6.038 -2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.090 4.077 -3.639 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.818 5.060 -4.336 1.00 0.00 H new ATOM 700 N ASN A 47 11.563 5.061 0.318 1.00 0.00 N ATOM 701 CA ASN A 47 12.195 4.828 1.624 1.00 0.00 C ATOM 702 C ASN A 47 13.676 4.515 1.448 1.00 0.00 C ATOM 703 O ASN A 47 14.513 4.970 2.229 1.00 0.00 O ATOM 704 CB ASN A 47 11.469 3.673 2.344 1.00 0.00 C ATOM 705 CG ASN A 47 12.017 3.310 3.710 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.175 3.552 4.035 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.183 2.670 4.503 1.00 0.00 N ATOM 0 H ASN A 47 10.750 4.470 0.143 1.00 0.00 H new ATOM 0 HA ASN A 47 12.114 5.729 2.233 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.418 3.939 2.452 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.510 2.789 1.708 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.493 2.357 5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.227 2.487 4.197 1.00 0.00 H new ATOM 714 N ASN A 48 13.973 3.736 0.410 1.00 0.00 N ATOM 715 CA ASN A 48 15.347 3.406 0.012 1.00 0.00 C ATOM 716 C ASN A 48 15.960 2.349 0.918 1.00 0.00 C ATOM 717 O ASN A 48 17.012 1.793 0.618 1.00 0.00 O ATOM 718 CB ASN A 48 16.224 4.659 -0.047 1.00 0.00 C ATOM 719 CG ASN A 48 16.897 4.821 -1.391 1.00 0.00 C ATOM 720 OD1 ASN A 48 16.262 5.595 -2.262 1.00 0.00 O flip ATOM 721 ND2 ASN A 48 17.971 4.278 -1.641 1.00 0.00 N flip ATOM 0 H ASN A 48 13.263 3.310 -0.186 1.00 0.00 H new ATOM 0 HA ASN A 48 15.298 2.984 -0.992 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.614 5.538 0.160 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.983 4.607 0.734 1.00 0.00 H new ATOM 0 HD21 ASN A 48 18.422 3.691 -0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 48 18.412 4.414 -2.551 1.00 0.00 H new ATOM 728 N ASN A 49 15.269 2.045 1.999 1.00 0.00 N ATOM 729 CA ASN A 49 15.680 1.002 2.923 1.00 0.00 C ATOM 730 C ASN A 49 14.440 0.485 3.637 1.00 0.00 C ATOM 731 O ASN A 49 14.270 0.680 4.841 1.00 0.00 O ATOM 732 CB ASN A 49 16.687 1.544 3.936 1.00 0.00 C ATOM 733 CG ASN A 49 17.407 0.441 4.688 1.00 0.00 C ATOM 734 OD1 ASN A 49 17.704 -0.616 4.129 1.00 0.00 O ATOM 735 ND2 ASN A 49 17.668 0.670 5.964 1.00 0.00 N ATOM 0 H ASN A 49 14.403 2.515 2.264 1.00 0.00 H new ATOM 0 HA ASN A 49 16.164 0.193 2.375 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.419 2.164 3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.170 2.187 4.648 1.00 0.00 H new ATOM 0 HD21 ASN A 49 18.133 -0.043 6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.404 1.560 6.387 1.00 0.00 H new ATOM 742 N PRO A 50 13.538 -0.158 2.883 1.00 0.00 N ATOM 743 CA PRO A 50 12.228 -0.530 3.382 1.00 0.00 C ATOM 744 C PRO A 50 12.258 -1.748 4.289 1.00 0.00 C ATOM 745 O PRO A 50 12.925 -2.745 4.010 1.00 0.00 O ATOM 746 CB PRO A 50 11.415 -0.818 2.120 1.00 0.00 C ATOM 747 CG PRO A 50 12.344 -0.675 0.957 1.00 0.00 C ATOM 748 CD PRO A 50 13.730 -0.590 1.497 1.00 0.00 C ATOM 0 HA PRO A 50 11.806 0.262 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.993 -1.822 2.155 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.579 -0.124 2.033 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.247 -1.526 0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.102 0.218 0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.240 -1.552 1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.335 0.122 0.936 1.00 0.00 H new ATOM 756 N THR A 51 11.527 -1.641 5.376 1.00 0.00 N ATOM 757 CA THR A 51 11.452 -2.681 6.370 1.00 0.00 C ATOM 758 C THR A 51 9.996 -3.105 6.518 1.00 0.00 C ATOM 759 O THR A 51 9.089 -2.307 6.280 1.00 0.00 O ATOM 760 CB THR A 51 12.027 -2.179 7.715 1.00 0.00 C ATOM 761 OG1 THR A 51 12.301 -3.272 8.601 1.00 0.00 O ATOM 762 CG2 THR A 51 11.077 -1.202 8.391 1.00 0.00 C ATOM 0 H THR A 51 10.963 -0.820 5.594 1.00 0.00 H new ATOM 0 HA THR A 51 12.047 -3.540 6.060 1.00 0.00 H new ATOM 0 HB THR A 51 12.961 -1.663 7.491 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.665 -2.927 9.443 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.510 -0.867 9.334 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.915 -0.342 7.740 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.124 -1.695 8.584 1.00 0.00 H new ATOM 770 N CYS A 52 9.765 -4.351 6.887 1.00 0.00 N ATOM 771 CA CYS A 52 8.409 -4.825 7.101 1.00 0.00 C ATOM 772 C CYS A 52 7.956 -4.380 8.491 1.00 0.00 C ATOM 773 O CYS A 52 8.751 -3.794 9.230 1.00 0.00 O ATOM 774 CB CYS A 52 8.359 -6.353 6.971 1.00 0.00 C ATOM 775 SG CYS A 52 6.712 -7.079 7.154 1.00 0.00 S ATOM 0 H CYS A 52 10.492 -5.049 7.044 1.00 0.00 H new ATOM 0 HA CYS A 52 7.739 -4.406 6.350 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.758 -6.633 5.996 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.018 -6.789 7.722 1.00 0.00 H new ATOM 0 HG CYS A 52 6.232 -7.368 5.981 1.00 0.00 H new ATOM 781 N ASP A 53 6.682 -4.621 8.816 1.00 0.00 N ATOM 782 CA ASP A 53 6.066 -4.169 10.075 1.00 0.00 C ATOM 783 C ASP A 53 5.674 -2.698 9.998 1.00 0.00 C ATOM 784 O ASP A 53 4.597 -2.306 10.441 1.00 0.00 O ATOM 785 CB ASP A 53 6.986 -4.400 11.284 1.00 0.00 C ATOM 786 CG ASP A 53 6.958 -5.828 11.777 1.00 0.00 C ATOM 787 OD1 ASP A 53 7.641 -6.685 11.182 1.00 0.00 O ATOM 788 OD2 ASP A 53 6.252 -6.098 12.771 1.00 0.00 O ATOM 0 H ASP A 53 6.043 -5.138 8.212 1.00 0.00 H new ATOM 0 HA ASP A 53 5.167 -4.770 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.008 -4.134 11.013 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.687 -3.735 12.094 1.00 0.00 H new ATOM 793 N ILE A 54 6.542 -1.897 9.405 1.00 0.00 N ATOM 794 CA ILE A 54 6.324 -0.463 9.287 1.00 0.00 C ATOM 795 C ILE A 54 5.859 -0.144 7.892 1.00 0.00 C ATOM 796 O ILE A 54 6.614 -0.299 6.930 1.00 0.00 O ATOM 797 CB ILE A 54 7.609 0.321 9.616 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.081 -0.044 11.027 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.367 1.821 9.496 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.434 0.519 11.391 1.00 0.00 C ATOM 0 H ILE A 54 7.417 -2.220 8.992 1.00 0.00 H new ATOM 0 HA ILE A 54 5.559 -0.163 10.004 1.00 0.00 H new ATOM 0 HB ILE A 54 8.387 0.052 8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.345 0.313 11.748 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.115 -1.130 11.117 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.286 2.358 9.732 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.059 2.060 8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.583 2.120 10.192 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.694 0.215 12.405 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.184 0.142 10.695 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.402 1.607 11.336 1.00 0.00 H new ATOM 812 N ASN A 55 4.587 0.242 7.786 1.00 0.00 N ATOM 813 CA ASN A 55 3.961 0.497 6.494 1.00 0.00 C ATOM 814 C ASN A 55 3.878 -0.806 5.712 1.00 0.00 C ATOM 815 O ASN A 55 3.588 -0.820 4.520 1.00 0.00 O ATOM 816 CB ASN A 55 4.778 1.542 5.734 1.00 0.00 C ATOM 817 CG ASN A 55 4.084 2.078 4.497 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.859 2.208 4.453 1.00 0.00 O ATOM 819 ND2 ASN A 55 4.869 2.395 3.483 1.00 0.00 N ATOM 0 H ASN A 55 3.970 0.385 8.585 1.00 0.00 H new ATOM 0 HA ASN A 55 2.951 0.883 6.633 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.001 2.373 6.403 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.732 1.103 5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.466 2.763 2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.878 2.272 3.562 1.00 0.00 H new ATOM 826 N ASN A 56 4.129 -1.904 6.424 1.00 0.00 N ATOM 827 CA ASN A 56 4.249 -3.227 5.827 1.00 0.00 C ATOM 828 C ASN A 56 5.287 -3.191 4.701 1.00 0.00 C ATOM 829 O ASN A 56 5.162 -3.892 3.706 1.00 0.00 O ATOM 830 CB ASN A 56 2.889 -3.700 5.286 1.00 0.00 C ATOM 831 CG ASN A 56 2.733 -5.209 5.285 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.226 -5.900 6.179 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.050 -5.731 4.279 1.00 0.00 N ATOM 0 H ASN A 56 4.255 -1.897 7.436 1.00 0.00 H new ATOM 0 HA ASN A 56 4.575 -3.932 6.591 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.094 -3.260 5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.762 -3.328 4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 56 1.915 -6.741 4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.658 -5.124 3.559 1.00 0.00 H new ATOM 840 N GLY A 57 6.300 -2.336 4.860 1.00 0.00 N ATOM 841 CA GLY A 57 7.316 -2.161 3.834 1.00 0.00 C ATOM 842 C GLY A 57 6.759 -1.529 2.572 1.00 0.00 C ATOM 843 O GLY A 57 7.362 -1.608 1.504 1.00 0.00 O ATOM 0 H GLY A 57 6.434 -1.758 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.120 -1.538 4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.753 -3.129 3.590 1.00 0.00 H new ATOM 847 N GLY A 58 5.605 -0.899 2.703 1.00 0.00 N ATOM 848 CA GLY A 58 4.948 -0.290 1.572 1.00 0.00 C ATOM 849 C GLY A 58 3.883 -1.199 1.009 1.00 0.00 C ATOM 850 O GLY A 58 3.439 -1.028 -0.117 1.00 0.00 O ATOM 0 H GLY A 58 5.106 -0.798 3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.500 0.657 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.683 -0.063 0.799 1.00 0.00 H new ATOM 854 N CYS A 59 3.474 -2.167 1.810 1.00 0.00 N ATOM 855 CA CYS A 59 2.528 -3.185 1.383 1.00 0.00 C ATOM 856 C CYS A 59 1.213 -3.067 2.148 1.00 0.00 C ATOM 857 O CYS A 59 1.068 -2.220 3.032 1.00 0.00 O ATOM 858 CB CYS A 59 3.133 -4.575 1.578 1.00 0.00 C ATOM 859 SG CYS A 59 4.631 -4.855 0.612 1.00 0.00 S ATOM 0 H CYS A 59 3.788 -2.270 2.775 1.00 0.00 H new ATOM 0 HA CYS A 59 2.316 -3.034 0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.360 -4.718 2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.391 -5.326 1.307 1.00 0.00 H new ATOM 0 HG CYS A 59 4.993 -6.099 0.723 1.00 0.00 H new ATOM 865 N ASP A 60 0.267 -3.929 1.809 1.00 0.00 N ATOM 866 CA ASP A 60 -1.046 -3.929 2.455 1.00 0.00 C ATOM 867 C ASP A 60 -1.088 -4.989 3.540 1.00 0.00 C ATOM 868 O ASP A 60 -0.470 -6.030 3.380 1.00 0.00 O ATOM 869 CB ASP A 60 -2.139 -4.238 1.422 1.00 0.00 C ATOM 870 CG ASP A 60 -3.529 -4.385 2.025 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.827 -5.460 2.597 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.331 -3.434 1.915 1.00 0.00 O ATOM 0 H ASP A 60 0.380 -4.642 1.088 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.218 -2.945 2.892 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.158 -3.442 0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.881 -5.158 0.898 1.00 0.00 H new ATOM 877 N PRO A 61 -1.767 -4.733 4.668 1.00 0.00 N ATOM 878 CA PRO A 61 -1.799 -5.659 5.796 1.00 0.00 C ATOM 879 C PRO A 61 -2.071 -7.104 5.383 1.00 0.00 C ATOM 880 O PRO A 61 -1.401 -8.030 5.858 1.00 0.00 O ATOM 881 CB PRO A 61 -2.954 -5.129 6.640 1.00 0.00 C ATOM 882 CG PRO A 61 -3.010 -3.682 6.354 1.00 0.00 C ATOM 883 CD PRO A 61 -2.544 -3.515 4.943 1.00 0.00 C ATOM 0 HA PRO A 61 -0.839 -5.696 6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.891 -5.619 6.377 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.784 -5.315 7.701 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.024 -3.300 6.476 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.374 -3.125 7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.384 -3.416 4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.933 -2.620 4.830 1.00 0.00 H new ATOM 891 N THR A 62 -3.031 -7.294 4.483 1.00 0.00 N ATOM 892 CA THR A 62 -3.390 -8.631 4.036 1.00 0.00 C ATOM 893 C THR A 62 -2.388 -9.134 3.000 1.00 0.00 C ATOM 894 O THR A 62 -2.253 -10.342 2.787 1.00 0.00 O ATOM 895 CB THR A 62 -4.826 -8.682 3.466 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.983 -7.746 2.392 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.846 -8.379 4.551 1.00 0.00 C ATOM 0 H THR A 62 -3.570 -6.543 4.053 1.00 0.00 H new ATOM 0 HA THR A 62 -3.360 -9.286 4.907 1.00 0.00 H new ATOM 0 HB THR A 62 -4.995 -9.690 3.087 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.250 -7.096 2.415 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.850 -8.420 4.128 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.758 -9.116 5.349 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.663 -7.383 4.955 1.00 0.00 H new ATOM 905 N ALA A 63 -1.672 -8.202 2.374 1.00 0.00 N ATOM 906 CA ALA A 63 -0.594 -8.541 1.477 1.00 0.00 C ATOM 907 C ALA A 63 0.632 -8.932 2.288 1.00 0.00 C ATOM 908 O ALA A 63 1.401 -8.072 2.715 1.00 0.00 O ATOM 909 CB ALA A 63 -0.285 -7.371 0.553 1.00 0.00 C ATOM 0 H ALA A 63 -1.829 -7.200 2.480 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.891 -9.386 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.530 -7.642 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.171 -7.127 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.007 -6.505 1.147 1.00 0.00 H new ATOM 915 N SER A 64 0.790 -10.234 2.508 1.00 0.00 N ATOM 916 CA SER A 64 1.871 -10.765 3.333 1.00 0.00 C ATOM 917 C SER A 64 3.216 -10.215 2.864 1.00 0.00 C ATOM 918 O SER A 64 3.698 -10.557 1.784 1.00 0.00 O ATOM 919 CB SER A 64 1.864 -12.296 3.276 1.00 0.00 C ATOM 920 OG SER A 64 2.639 -12.862 4.323 1.00 0.00 O ATOM 0 H SER A 64 0.174 -10.949 2.121 1.00 0.00 H new ATOM 0 HA SER A 64 1.717 -10.452 4.366 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.838 -12.658 3.345 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.255 -12.627 2.314 1.00 0.00 H new ATOM 0 HG SER A 64 2.612 -13.839 4.258 1.00 0.00 H new ATOM 926 N CYS A 65 3.790 -9.332 3.670 1.00 0.00 N ATOM 927 CA CYS A 65 5.009 -8.636 3.308 1.00 0.00 C ATOM 928 C CYS A 65 6.262 -9.342 3.794 1.00 0.00 C ATOM 929 O CYS A 65 6.274 -9.996 4.837 1.00 0.00 O ATOM 930 CB CYS A 65 4.976 -7.219 3.866 1.00 0.00 C ATOM 931 SG CYS A 65 6.598 -6.444 4.063 1.00 0.00 S ATOM 0 H CYS A 65 3.423 -9.082 4.588 1.00 0.00 H new ATOM 0 HA CYS A 65 5.052 -8.619 2.219 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.370 -6.598 3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.477 -7.237 4.835 1.00 0.00 H new ATOM 0 HG CYS A 65 6.729 -6.015 5.283 1.00 0.00 H new ATOM 937 N GLN A 66 7.311 -9.180 3.010 1.00 0.00 N ATOM 938 CA GLN A 66 8.648 -9.587 3.384 1.00 0.00 C ATOM 939 C GLN A 66 9.560 -8.370 3.330 1.00 0.00 C ATOM 940 O GLN A 66 9.422 -7.529 2.443 1.00 0.00 O ATOM 941 CB GLN A 66 9.169 -10.675 2.438 1.00 0.00 C ATOM 942 CG GLN A 66 10.472 -10.314 1.745 1.00 0.00 C ATOM 943 CD GLN A 66 11.142 -11.494 1.077 1.00 0.00 C ATOM 944 OE1 GLN A 66 12.367 -11.553 0.981 1.00 0.00 O ATOM 945 NE2 GLN A 66 10.350 -12.443 0.611 1.00 0.00 N ATOM 0 H GLN A 66 7.255 -8.756 2.084 1.00 0.00 H new ATOM 0 HA GLN A 66 8.631 -9.998 4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.312 -11.596 3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.411 -10.879 1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.277 -9.545 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.156 -9.882 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.338 -12.357 0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.750 -13.261 0.152 1.00 0.00 H new ATOM 954 N ASN A 67 10.466 -8.268 4.280 1.00 0.00 N ATOM 955 CA ASN A 67 11.457 -7.226 4.276 1.00 0.00 C ATOM 956 C ASN A 67 12.712 -7.712 3.561 1.00 0.00 C ATOM 957 O ASN A 67 13.220 -8.798 3.847 1.00 0.00 O ATOM 958 CB ASN A 67 11.770 -6.797 5.703 1.00 0.00 C ATOM 959 CG ASN A 67 12.224 -7.926 6.611 1.00 0.00 C ATOM 960 OD1 ASN A 67 11.859 -9.088 6.429 1.00 0.00 O ATOM 961 ND2 ASN A 67 13.003 -7.582 7.622 1.00 0.00 N ATOM 0 H ASN A 67 10.532 -8.906 5.073 1.00 0.00 H new ATOM 0 HA ASN A 67 11.070 -6.359 3.740 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.547 -6.032 5.678 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.882 -6.335 6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.322 -8.290 8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.285 -6.609 7.740 1.00 0.00 H new ATOM 968 N ALA A 68 13.197 -6.915 2.621 1.00 0.00 N ATOM 969 CA ALA A 68 14.292 -7.334 1.761 1.00 0.00 C ATOM 970 C ALA A 68 15.012 -6.135 1.170 1.00 0.00 C ATOM 971 O ALA A 68 14.520 -5.007 1.238 1.00 0.00 O ATOM 972 CB ALA A 68 13.762 -8.221 0.651 1.00 0.00 C ATOM 0 H ALA A 68 12.849 -5.974 2.435 1.00 0.00 H new ATOM 0 HA ALA A 68 15.007 -7.895 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 68 14.586 -8.532 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.287 -9.101 1.084 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.032 -7.668 0.061 1.00 0.00 H new ATOM 978 N GLU A 69 16.187 -6.379 0.615 1.00 0.00 N ATOM 979 CA GLU A 69 16.947 -5.341 -0.053 1.00 0.00 C ATOM 980 C GLU A 69 17.128 -5.688 -1.527 1.00 0.00 C ATOM 981 O GLU A 69 17.223 -6.860 -1.898 1.00 0.00 O ATOM 982 CB GLU A 69 18.305 -5.149 0.612 1.00 0.00 C ATOM 983 CG GLU A 69 19.098 -3.987 0.038 1.00 0.00 C ATOM 984 CD GLU A 69 20.437 -3.814 0.711 1.00 0.00 C ATOM 985 OE1 GLU A 69 20.459 -3.412 1.892 1.00 0.00 O ATOM 986 OE2 GLU A 69 21.472 -4.074 0.063 1.00 0.00 O ATOM 0 H GLU A 69 16.636 -7.295 0.615 1.00 0.00 H new ATOM 0 HA GLU A 69 16.392 -4.406 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 69 18.159 -4.987 1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.887 -6.065 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.249 -4.147 -1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 69 18.520 -3.069 0.144 1.00 0.00 H new ATOM 993 N SER A 70 17.169 -4.657 -2.354 1.00 0.00 N ATOM 994 CA SER A 70 17.296 -4.799 -3.791 1.00 0.00 C ATOM 995 C SER A 70 17.707 -3.464 -4.404 1.00 0.00 C ATOM 996 O SER A 70 17.705 -2.446 -3.709 1.00 0.00 O ATOM 997 CB SER A 70 15.969 -5.276 -4.392 1.00 0.00 C ATOM 998 OG SER A 70 15.853 -6.689 -4.314 1.00 0.00 O ATOM 0 H SER A 70 17.114 -3.688 -2.041 1.00 0.00 H new ATOM 0 HA SER A 70 18.063 -5.541 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.138 -4.810 -3.863 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.902 -4.959 -5.433 1.00 0.00 H new ATOM 0 HG SER A 70 16.408 -7.023 -3.578 1.00 0.00 H new ATOM 1004 N THR A 71 18.072 -3.475 -5.679 1.00 0.00 N ATOM 1005 CA THR A 71 18.406 -2.251 -6.394 1.00 0.00 C ATOM 1006 C THR A 71 17.249 -1.267 -6.305 1.00 0.00 C ATOM 1007 O THR A 71 17.386 -0.146 -5.805 1.00 0.00 O ATOM 1008 CB THR A 71 18.711 -2.557 -7.870 1.00 0.00 C ATOM 1009 OG1 THR A 71 17.698 -3.432 -8.397 1.00 0.00 O ATOM 1010 CG2 THR A 71 20.077 -3.208 -8.020 1.00 0.00 C ATOM 0 H THR A 71 18.144 -4.323 -6.242 1.00 0.00 H new ATOM 0 HA THR A 71 19.292 -1.812 -5.935 1.00 0.00 H new ATOM 0 HB THR A 71 18.716 -1.619 -8.424 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.891 -3.626 -9.338 1.00 0.00 H new ATOM 0 HG21 THR A 71 20.268 -3.414 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 71 20.845 -2.536 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 71 20.099 -4.142 -7.458 1.00 0.00 H new ATOM 1018 N GLU A 72 16.107 -1.718 -6.786 1.00 0.00 N ATOM 1019 CA GLU A 72 14.865 -0.987 -6.660 1.00 0.00 C ATOM 1020 C GLU A 72 14.327 -1.117 -5.255 1.00 0.00 C ATOM 1021 O GLU A 72 14.180 -2.227 -4.747 1.00 0.00 O ATOM 1022 CB GLU A 72 13.837 -1.561 -7.613 1.00 0.00 C ATOM 1023 CG GLU A 72 14.154 -1.326 -9.069 1.00 0.00 C ATOM 1024 CD GLU A 72 14.023 0.131 -9.460 1.00 0.00 C ATOM 1025 OE1 GLU A 72 14.920 0.930 -9.119 1.00 0.00 O ATOM 1026 OE2 GLU A 72 13.014 0.486 -10.107 1.00 0.00 O ATOM 0 H GLU A 72 16.016 -2.607 -7.278 1.00 0.00 H new ATOM 0 HA GLU A 72 15.056 0.061 -6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.753 -2.634 -7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.864 -1.124 -7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.169 -1.665 -9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.485 -1.926 -9.685 1.00 0.00 H new ATOM 1033 N ASN A 73 14.015 0.008 -4.634 1.00 0.00 N ATOM 1034 CA ASN A 73 13.406 -0.002 -3.321 1.00 0.00 C ATOM 1035 C ASN A 73 12.009 -0.572 -3.420 1.00 0.00 C ATOM 1036 O ASN A 73 11.492 -1.163 -2.473 1.00 0.00 O ATOM 1037 CB ASN A 73 13.336 1.407 -2.744 1.00 0.00 C ATOM 1038 CG ASN A 73 14.671 2.118 -2.764 1.00 0.00 C ATOM 1039 OD1 ASN A 73 15.721 1.502 -2.611 1.00 0.00 O ATOM 1040 ND2 ASN A 73 14.637 3.425 -2.942 1.00 0.00 N ATOM 0 H ASN A 73 14.175 0.938 -5.021 1.00 0.00 H new ATOM 0 HA ASN A 73 14.016 -0.618 -2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 73 12.611 1.991 -3.311 1.00 0.00 H new ATOM 0 HB3 ASN A 73 12.972 1.356 -1.718 1.00 0.00 H new ATOM 0 HD21 ASN A 73 15.505 3.961 -2.956 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.743 3.900 -3.066 1.00 0.00 H new ATOM 1047 N SER A 74 11.419 -0.406 -4.593 1.00 0.00 N ATOM 1048 CA SER A 74 10.065 -0.843 -4.850 1.00 0.00 C ATOM 1049 C SER A 74 10.013 -2.330 -5.166 1.00 0.00 C ATOM 1050 O SER A 74 8.944 -2.936 -5.191 1.00 0.00 O ATOM 1051 CB SER A 74 9.491 -0.030 -6.006 1.00 0.00 C ATOM 1052 OG SER A 74 10.460 0.121 -7.032 1.00 0.00 O ATOM 0 H SER A 74 11.871 0.037 -5.393 1.00 0.00 H new ATOM 0 HA SER A 74 9.466 -0.681 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.605 -0.526 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.175 0.950 -5.648 1.00 0.00 H new ATOM 0 HG SER A 74 10.078 0.643 -7.768 1.00 0.00 H new ATOM 1058 N LYS A 75 11.175 -2.913 -5.408 1.00 0.00 N ATOM 1059 CA LYS A 75 11.257 -4.324 -5.732 1.00 0.00 C ATOM 1060 C LYS A 75 11.967 -5.077 -4.617 1.00 0.00 C ATOM 1061 O LYS A 75 12.398 -6.215 -4.795 1.00 0.00 O ATOM 1062 CB LYS A 75 11.975 -4.522 -7.065 1.00 0.00 C ATOM 1063 CG LYS A 75 11.390 -3.681 -8.187 1.00 0.00 C ATOM 1064 CD LYS A 75 11.919 -4.108 -9.533 1.00 0.00 C ATOM 1065 CE LYS A 75 11.368 -3.242 -10.654 1.00 0.00 C ATOM 1066 NZ LYS A 75 9.907 -3.438 -10.857 1.00 0.00 N ATOM 0 H LYS A 75 12.073 -2.430 -5.386 1.00 0.00 H new ATOM 0 HA LYS A 75 10.247 -4.724 -5.828 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.029 -4.273 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.926 -5.574 -7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.303 -3.767 -8.178 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.628 -2.631 -8.018 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.008 -4.051 -9.531 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.654 -5.150 -9.714 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.563 -2.194 -10.429 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.895 -3.473 -11.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.601 -2.918 -11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.707 -4.451 -10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.390 -3.082 -10.028 1.00 0.00 H new ATOM 1080 N LYS A 76 12.091 -4.422 -3.464 1.00 0.00 N ATOM 1081 CA LYS A 76 12.689 -5.049 -2.294 1.00 0.00 C ATOM 1082 C LYS A 76 11.641 -5.805 -1.517 1.00 0.00 C ATOM 1083 O LYS A 76 11.745 -7.008 -1.312 1.00 0.00 O ATOM 1084 CB LYS A 76 13.303 -4.021 -1.356 1.00 0.00 C ATOM 1085 CG LYS A 76 14.384 -3.173 -1.970 1.00 0.00 C ATOM 1086 CD LYS A 76 15.129 -2.410 -0.909 1.00 0.00 C ATOM 1087 CE LYS A 76 15.921 -1.275 -1.512 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.903 -0.680 -0.564 1.00 0.00 N ATOM 0 H LYS A 76 11.785 -3.460 -3.318 1.00 0.00 H new ATOM 0 HA LYS A 76 13.467 -5.720 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.512 -3.367 -0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.715 -4.540 -0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.077 -3.805 -2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.945 -2.477 -2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.424 -2.017 -0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.800 -3.083 -0.376 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.450 -1.637 -2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.234 -0.499 -1.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.645 0.309 -0.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.897 -1.218 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.854 -0.714 -0.983 1.00 0.00 H new ATOM 1102 N ILE A 77 10.625 -5.078 -1.088 1.00 0.00 N ATOM 1103 CA ILE A 77 9.605 -5.640 -0.238 1.00 0.00 C ATOM 1104 C ILE A 77 8.634 -6.456 -1.064 1.00 0.00 C ATOM 1105 O ILE A 77 8.200 -6.040 -2.138 1.00 0.00 O ATOM 1106 CB ILE A 77 8.830 -4.551 0.522 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.783 -3.662 1.322 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.793 -5.152 1.442 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.575 -4.414 2.372 1.00 0.00 C ATOM 0 H ILE A 77 10.489 -4.094 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 77 10.104 -6.277 0.492 1.00 0.00 H new ATOM 0 HB ILE A 77 8.317 -3.940 -0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.476 -3.176 0.635 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.209 -2.873 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.264 -4.355 1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.083 -5.737 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.283 -5.799 2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.230 -3.720 2.900 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.890 -4.878 3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.176 -5.185 1.891 1.00 0.00 H new ATOM 1121 N ILE A 78 8.303 -7.610 -0.552 1.00 0.00 N ATOM 1122 CA ILE A 78 7.392 -8.512 -1.237 1.00 0.00 C ATOM 1123 C ILE A 78 6.022 -8.467 -0.590 1.00 0.00 C ATOM 1124 O ILE A 78 5.878 -8.797 0.581 1.00 0.00 O ATOM 1125 CB ILE A 78 7.896 -9.979 -1.264 1.00 0.00 C ATOM 1126 CG1 ILE A 78 9.043 -10.140 -2.262 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.764 -10.941 -1.611 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.383 -9.681 -1.740 1.00 0.00 C ATOM 0 H ILE A 78 8.648 -7.957 0.343 1.00 0.00 H new ATOM 0 HA ILE A 78 7.336 -8.166 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 78 8.262 -10.221 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.117 -11.189 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.806 -9.579 -3.166 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.145 -11.962 -1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 78 5.974 -10.857 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.363 -10.692 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.143 -9.829 -2.508 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.330 -8.624 -1.481 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.646 -10.259 -0.854 1.00 0.00 H new ATOM 1140 N CYS A 79 5.035 -8.021 -1.346 1.00 0.00 N ATOM 1141 CA CYS A 79 3.657 -8.058 -0.903 1.00 0.00 C ATOM 1142 C CYS A 79 2.950 -9.252 -1.517 1.00 0.00 C ATOM 1143 O CYS A 79 3.284 -9.683 -2.622 1.00 0.00 O ATOM 1144 CB CYS A 79 2.956 -6.763 -1.290 1.00 0.00 C ATOM 1145 SG CYS A 79 3.412 -6.159 -2.927 1.00 0.00 S ATOM 0 H CYS A 79 5.166 -7.626 -2.277 1.00 0.00 H new ATOM 0 HA CYS A 79 3.628 -8.158 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.878 -6.919 -1.256 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.191 -5.997 -0.551 1.00 0.00 H new ATOM 0 HG CYS A 79 2.464 -6.437 -3.772 1.00 0.00 H new ATOM 1151 N THR A 80 2.006 -9.806 -0.789 1.00 0.00 N ATOM 1152 CA THR A 80 1.276 -10.964 -1.258 1.00 0.00 C ATOM 1153 C THR A 80 -0.220 -10.848 -0.986 1.00 0.00 C ATOM 1154 O THR A 80 -0.674 -11.053 0.139 1.00 0.00 O ATOM 1155 CB THR A 80 1.813 -12.251 -0.613 1.00 0.00 C ATOM 1156 OG1 THR A 80 3.091 -12.590 -1.170 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.830 -13.388 -0.812 1.00 0.00 C ATOM 0 H THR A 80 1.725 -9.472 0.133 1.00 0.00 H new ATOM 0 HA THR A 80 1.425 -11.009 -2.337 1.00 0.00 H new ATOM 0 HB THR A 80 1.935 -12.082 0.457 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.424 -13.411 -0.750 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.223 -14.294 -0.350 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.123 -13.130 -0.351 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.683 -13.559 -1.878 1.00 0.00 H new ATOM 1165 N CYS A 81 -0.974 -10.522 -2.015 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.416 -10.561 -1.930 1.00 0.00 C ATOM 1167 C CYS A 81 -2.892 -11.892 -2.486 1.00 0.00 C ATOM 1168 O CYS A 81 -2.456 -12.327 -3.555 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.035 -9.391 -2.686 1.00 0.00 C ATOM 1170 SG CYS A 81 -2.330 -7.787 -2.238 1.00 0.00 S ATOM 0 H CYS A 81 -0.610 -10.227 -2.921 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.730 -10.469 -0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.904 -9.550 -3.756 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.108 -9.373 -2.496 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.188 -7.120 -1.524 1.00 0.00 H new ATOM 1176 N LYS A 82 -3.770 -12.537 -1.750 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.119 -13.918 -2.011 1.00 0.00 C ATOM 1178 C LYS A 82 -5.555 -14.052 -2.501 1.00 0.00 C ATOM 1179 O LYS A 82 -6.229 -13.056 -2.755 1.00 0.00 O ATOM 1180 CB LYS A 82 -3.898 -14.739 -0.749 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.453 -14.726 -0.288 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.294 -15.369 1.075 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.657 -16.842 1.047 1.00 0.00 C ATOM 1184 NZ LYS A 82 -2.559 -17.452 2.395 1.00 0.00 N ATOM 0 H LYS A 82 -4.261 -12.123 -0.957 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.476 -14.295 -2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.533 -14.351 0.048 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.208 -15.768 -0.931 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.835 -15.254 -1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.092 -13.698 -0.250 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -1.264 -15.254 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -2.926 -14.852 1.797 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.671 -16.961 0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -1.995 -17.368 0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -2.814 -18.459 2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.585 -17.360 2.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -3.210 -16.965 3.044 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.010 -15.281 -2.660 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.359 -15.544 -3.111 1.00 0.00 C ATOM 1200 C GLU A 83 -8.432 -14.980 -2.161 1.00 0.00 C ATOM 1201 O GLU A 83 -9.412 -14.401 -2.632 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.537 -17.045 -3.314 1.00 0.00 C ATOM 1203 CG GLU A 83 -6.489 -17.657 -4.232 1.00 0.00 C ATOM 1204 CD GLU A 83 -6.303 -16.869 -5.514 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -7.179 -16.948 -6.400 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -5.279 -16.165 -5.637 1.00 0.00 O ATOM 0 H GLU A 83 -5.457 -16.119 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.501 -15.024 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.497 -17.543 -2.345 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.527 -17.234 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.537 -17.713 -3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.779 -18.679 -4.477 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.275 -15.106 -0.816 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.242 -14.541 0.135 1.00 0.00 C ATOM 1215 C PRO A 84 -9.240 -13.016 0.147 1.00 0.00 C ATOM 1216 O PRO A 84 -9.917 -12.397 0.965 1.00 0.00 O ATOM 1217 CB PRO A 84 -8.770 -15.061 1.494 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.334 -15.380 1.308 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.189 -15.816 -0.116 1.00 0.00 C ATOM 0 HA PRO A 84 -10.260 -14.831 -0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -8.910 -14.312 2.273 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.334 -15.944 1.796 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -6.711 -14.510 1.515 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.018 -16.168 1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.212 -15.548 -0.518 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.289 -16.897 -0.215 1.00 0.00 H new ATOM 1227 N THR A 85 -8.480 -12.413 -0.752 1.00 0.00 N ATOM 1228 CA THR A 85 -8.370 -10.969 -0.795 1.00 0.00 C ATOM 1229 C THR A 85 -8.681 -10.436 -2.190 1.00 0.00 C ATOM 1230 O THR A 85 -7.870 -10.546 -3.110 1.00 0.00 O ATOM 1231 CB THR A 85 -6.976 -10.493 -0.325 1.00 0.00 C ATOM 1232 OG1 THR A 85 -5.949 -11.262 -0.942 1.00 0.00 O ATOM 1233 CG2 THR A 85 -6.848 -10.606 1.184 1.00 0.00 C ATOM 0 H THR A 85 -7.932 -12.902 -1.460 1.00 0.00 H new ATOM 0 HA THR A 85 -9.110 -10.565 -0.104 1.00 0.00 H new ATOM 0 HB THR A 85 -6.867 -9.448 -0.615 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.272 -11.612 -1.799 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.859 -10.266 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.609 -9.988 1.661 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.984 -11.645 1.484 1.00 0.00 H new ATOM 1241 N PRO A 86 -9.903 -9.877 -2.338 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.434 -9.307 -3.582 1.00 0.00 C ATOM 1243 C PRO A 86 -9.418 -8.653 -4.548 1.00 0.00 C ATOM 1244 O PRO A 86 -9.448 -8.962 -5.738 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.457 -8.302 -3.034 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.062 -9.031 -1.896 1.00 0.00 C ATOM 1247 CD PRO A 86 -10.930 -9.795 -1.263 1.00 0.00 C ATOM 0 HA PRO A 86 -10.831 -10.084 -4.236 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.981 -7.376 -2.713 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.202 -8.034 -3.784 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.517 -8.341 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -12.849 -9.704 -2.235 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.545 -9.281 -0.382 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.249 -10.786 -0.940 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.518 -7.774 -4.083 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.641 -7.054 -5.027 1.00 0.00 C ATOM 1257 C ASN A 87 -6.254 -6.776 -4.469 1.00 0.00 C ATOM 1258 O ASN A 87 -6.005 -6.972 -3.292 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.297 -5.746 -5.478 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.652 -5.104 -6.696 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.809 -4.109 -6.470 1.00 0.00 O flip ATOM 1262 ND2 ASN A 87 -7.940 -5.469 -7.831 1.00 0.00 N flip ATOM 0 H ASN A 87 -8.378 -7.548 -3.098 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.508 -7.715 -5.884 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.347 -5.938 -5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.269 -5.036 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.594 -6.240 -7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.526 -5.002 -8.638 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.358 -6.348 -5.354 1.00 0.00 N ATOM 1270 CA ALA A 88 -4.036 -5.857 -4.982 1.00 0.00 C ATOM 1271 C ALA A 88 -3.759 -4.542 -5.701 1.00 0.00 C ATOM 1272 O ALA A 88 -3.593 -4.516 -6.918 1.00 0.00 O ATOM 1273 CB ALA A 88 -2.961 -6.873 -5.329 1.00 0.00 C ATOM 0 H ALA A 88 -5.532 -6.332 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.017 -5.696 -3.904 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.985 -6.482 -5.041 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.152 -7.803 -4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.974 -7.064 -6.402 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.749 -3.450 -4.956 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.467 -2.142 -5.522 1.00 0.00 C ATOM 1281 C TYR A 89 -1.981 -1.868 -5.449 1.00 0.00 C ATOM 1282 O TYR A 89 -1.367 -2.114 -4.412 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.200 -1.047 -4.756 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.336 -0.407 -5.500 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -5.113 0.637 -6.389 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.634 -0.812 -5.276 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -6.162 1.248 -7.047 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.686 -0.205 -5.920 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.450 0.824 -6.808 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.505 1.425 -7.458 1.00 0.00 O ATOM 0 H TYR A 89 -3.934 -3.444 -3.953 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.806 -2.141 -6.558 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.585 -1.469 -3.827 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.483 -0.273 -4.482 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.103 0.976 -6.568 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.828 -1.618 -4.584 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.974 2.052 -7.743 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.697 -0.534 -5.731 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.001 1.986 -6.826 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.412 -1.367 -6.537 1.00 0.00 N ATOM 1301 CA TYR A 90 0.000 -1.023 -6.570 1.00 0.00 C ATOM 1302 C TYR A 90 0.840 -2.218 -6.167 1.00 0.00 C ATOM 1303 O TYR A 90 1.623 -2.159 -5.225 1.00 0.00 O ATOM 1304 CB TYR A 90 0.259 0.201 -5.678 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.281 1.474 -6.293 1.00 0.00 C ATOM 1306 CD1 TYR A 90 -1.588 1.886 -6.058 1.00 0.00 C ATOM 1307 CD2 TYR A 90 0.510 2.253 -7.129 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -2.088 3.037 -6.640 1.00 0.00 C ATOM 1309 CE2 TYR A 90 0.018 3.406 -7.707 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.280 3.793 -7.461 1.00 0.00 C ATOM 1311 OH TYR A 90 -1.776 4.937 -8.047 1.00 0.00 O ATOM 0 H TYR A 90 -1.909 -1.190 -7.410 1.00 0.00 H new ATOM 0 HA TYR A 90 0.290 -0.756 -7.586 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.204 0.044 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.331 0.306 -5.509 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.223 1.298 -5.411 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.527 1.951 -7.330 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -3.107 3.342 -6.452 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.649 4.002 -8.350 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.078 5.353 -8.594 1.00 0.00 H new ATOM 1321 N GLU A 91 0.624 -3.318 -6.891 1.00 0.00 N ATOM 1322 CA GLU A 91 1.374 -4.559 -6.718 1.00 0.00 C ATOM 1323 C GLU A 91 1.011 -5.271 -5.415 1.00 0.00 C ATOM 1324 O GLU A 91 1.361 -6.434 -5.215 1.00 0.00 O ATOM 1325 CB GLU A 91 2.872 -4.267 -6.773 1.00 0.00 C ATOM 1326 CG GLU A 91 3.269 -3.343 -7.916 1.00 0.00 C ATOM 1327 CD GLU A 91 3.499 -4.067 -9.226 1.00 0.00 C ATOM 1328 OE1 GLU A 91 4.523 -4.770 -9.358 1.00 0.00 O ATOM 1329 OE2 GLU A 91 2.672 -3.911 -10.146 1.00 0.00 O ATOM 0 H GLU A 91 -0.085 -3.370 -7.622 1.00 0.00 H new ATOM 0 HA GLU A 91 1.106 -5.231 -7.533 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.181 -3.818 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.414 -5.207 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.489 -2.595 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.178 -2.808 -7.641 1.00 0.00 H new ATOM 1336 N GLY A 92 0.286 -4.579 -4.556 1.00 0.00 N ATOM 1337 CA GLY A 92 -0.080 -5.122 -3.269 1.00 0.00 C ATOM 1338 C GLY A 92 0.251 -4.175 -2.129 1.00 0.00 C ATOM 1339 O GLY A 92 0.449 -4.603 -0.994 1.00 0.00 O ATOM 0 H GLY A 92 -0.061 -3.636 -4.731 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -1.148 -5.340 -3.259 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.439 -6.068 -3.115 1.00 0.00 H new ATOM 1343 N VAL A 93 0.342 -2.883 -2.442 1.00 0.00 N ATOM 1344 CA VAL A 93 0.416 -1.852 -1.410 1.00 0.00 C ATOM 1345 C VAL A 93 -0.917 -1.791 -0.697 1.00 0.00 C ATOM 1346 O VAL A 93 -1.018 -1.359 0.450 1.00 0.00 O ATOM 1347 CB VAL A 93 0.754 -0.458 -1.991 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.900 0.587 -0.899 1.00 0.00 C ATOM 1349 CG2 VAL A 93 2.021 -0.520 -2.814 1.00 0.00 C ATOM 0 H VAL A 93 0.366 -2.527 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 93 1.219 -2.117 -0.722 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.078 -0.163 -2.631 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.137 1.552 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.034 0.665 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.702 0.295 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.243 0.469 -3.215 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.848 -0.851 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.887 -1.223 -3.636 1.00 0.00 H new ATOM 1359 N PHE A 94 -1.943 -2.229 -1.408 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.267 -2.366 -0.842 1.00 0.00 C ATOM 1361 C PHE A 94 -3.951 -3.516 -1.500 1.00 0.00 C ATOM 1362 O PHE A 94 -3.424 -4.160 -2.407 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.166 -1.134 -1.050 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.447 0.158 -1.075 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.673 0.485 -2.162 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.534 1.035 -0.020 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -1.990 1.661 -2.201 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.857 2.223 -0.053 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.081 2.536 -1.141 1.00 0.00 C ATOM 0 H PHE A 94 -1.878 -2.498 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.126 -2.503 0.230 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.708 -1.251 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -4.910 -1.105 -0.254 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.606 -0.199 -2.995 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.140 0.785 0.839 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.380 1.907 -3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.933 2.913 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.540 3.471 -1.166 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.127 -3.738 -1.032 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.046 -4.655 -1.604 1.00 0.00 C ATOM 1381 C CYS A 95 -7.301 -3.852 -1.934 1.00 0.00 C ATOM 1382 O CYS A 95 -7.354 -2.692 -1.590 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.252 -5.780 -0.602 1.00 0.00 C ATOM 1384 SG CYS A 95 -4.842 -6.900 -0.454 1.00 0.00 S ATOM 0 H CYS A 95 -5.490 -3.265 -0.204 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.708 -5.127 -2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -6.463 -5.347 0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -7.131 -6.355 -0.893 1.00 0.00 H new ATOM 0 HG CYS A 95 -4.952 -7.593 0.640 1.00 0.00 H new ATOM 1390 N SER A 96 -8.261 -4.398 -2.660 1.00 0.00 N ATOM 1391 CA SER A 96 -9.404 -3.590 -3.100 1.00 0.00 C ATOM 1392 C SER A 96 -10.547 -4.467 -3.604 1.00 0.00 C ATOM 1393 O SER A 96 -10.439 -5.684 -3.628 1.00 0.00 O ATOM 1394 CB SER A 96 -8.981 -2.608 -4.184 1.00 0.00 C ATOM 1395 OG SER A 96 -10.033 -1.719 -4.517 1.00 0.00 O ATOM 0 H SER A 96 -8.281 -5.374 -2.956 1.00 0.00 H new ATOM 0 HA SER A 96 -9.763 -3.031 -2.236 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.116 -2.039 -3.844 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.672 -3.157 -5.073 1.00 0.00 H new ATOM 0 HG SER A 96 -10.256 -1.817 -5.466 1.00 0.00 H new ATOM 1401 N SER A 97 -11.650 -3.844 -3.963 1.00 0.00 N ATOM 1402 CA SER A 97 -12.836 -4.561 -4.378 1.00 0.00 C ATOM 1403 C SER A 97 -12.682 -5.151 -5.773 1.00 0.00 C ATOM 1404 O SER A 97 -13.080 -4.533 -6.763 1.00 0.00 O ATOM 1405 CB SER A 97 -14.016 -3.610 -4.363 1.00 0.00 C ATOM 1406 OG SER A 97 -13.718 -2.437 -5.106 1.00 0.00 O ATOM 0 H SER A 97 -11.749 -2.829 -3.975 1.00 0.00 H new ATOM 0 HA SER A 97 -12.996 -5.386 -3.683 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.893 -4.102 -4.785 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.263 -3.344 -3.335 1.00 0.00 H new ATOM 0 HG SER A 97 -13.283 -2.685 -5.949 1.00 0.00 H new