USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 855 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 44 ASN : amide:sc= -0.49 K(o=0.34,f=-14!) USER MOD Set 1.2: A 110 LYS NZ :NH3+ -173:sc= 0.828 (180deg=0) USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= 0.817 USER MOD Set 2.2: A 128 GLN : amide:sc= 1.23 X(o=2,f=1.6) USER MOD Set 3.1: A 9 LYS NZ :NH3+ -111:sc= -0.891 (180deg=-2.97!) USER MOD Set 3.2: A 12 THR OG1 : rot 28:sc= -1.01 USER MOD Single : A 14 ASN : amide:sc= -0.266 K(o=-0.27,f=-0.92) USER MOD Single : A 19 SER OG : rot -160:sc= -2.28 USER MOD Single : A 20 MET CE :methyl -170:sc= -1.56 (180deg=-1.63) USER MOD Single : A 22 GLN : amide:sc=-0.000338 X(o=-0.00034,f=0) USER MOD Single : A 25 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.7!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.841 F(o=-2.2,f=-0.84) USER MOD Single : A 46 TYR OH : rot -153:sc= -2.47! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN :FLIP amide:sc= -0.0753 F(o=-1.8,f=-0.075) USER MOD Single : A 53 THR OG1 : rot 65:sc= 0.0819 USER MOD Single : A 54 GLN : amide:sc= -0.445 K(o=-0.45,f=-3.7) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.489 K(o=-0.49,f=-3.4!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.696 K(o=-0.7,f=-7.6!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.0426 K(o=-0.043,f=-0.9) USER MOD Single : A 76 ASN : amide:sc=-0.00983 K(o=-0.0098,f=-1) USER MOD Single : A 81 ASN : amide:sc= -0.649 K(o=-0.65,f=-2.9!) USER MOD Single : A 82 GLN : amide:sc= -0.323 K(o=-0.32,f=-5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 120:sc= -0.337 USER MOD Single : A 89 ASN : amide:sc= -0.0335 X(o=-0.033,f=0) USER MOD Single : A 93 SER OG : rot 33:sc= 0.737 USER MOD Single : A 94 ASN : amide:sc= -0.0945 K(o=-0.095,f=-1.9!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0099 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.187) USER MOD Single : A 115 THR OG1 : rot 68:sc= 0.0876 USER MOD Single : A 116 THR OG1 : rot 133:sc= -0.995 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.344 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -9.510 13.073 -4.763 1.00 0.00 N ATOM 67 CA VAL A 8 -8.336 12.242 -4.999 1.00 0.00 C ATOM 68 C VAL A 8 -8.508 11.391 -6.253 1.00 0.00 C ATOM 69 O VAL A 8 -9.502 10.681 -6.403 1.00 0.00 O ATOM 70 CB VAL A 8 -8.052 11.318 -3.800 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.262 10.447 -3.498 1.00 0.00 C ATOM 72 CG2 VAL A 8 -6.822 10.463 -4.066 1.00 0.00 C ATOM 0 HA VAL A 8 -7.492 12.918 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.853 11.937 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.042 9.801 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.116 11.081 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.496 9.834 -4.369 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.636 9.816 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.989 9.851 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.958 11.108 -4.228 1.00 0.00 H new ATOM 82 N LYS A 9 -7.531 11.466 -7.151 1.00 0.00 N ATOM 83 CA LYS A 9 -7.572 10.702 -8.392 1.00 0.00 C ATOM 84 C LYS A 9 -7.135 9.260 -8.157 1.00 0.00 C ATOM 85 O LYS A 9 -6.417 8.966 -7.201 1.00 0.00 O ATOM 86 CB LYS A 9 -6.673 11.354 -9.446 1.00 0.00 C ATOM 87 CG LYS A 9 -7.203 12.681 -9.960 1.00 0.00 C ATOM 88 CD LYS A 9 -6.165 13.408 -10.799 1.00 0.00 C ATOM 89 CE LYS A 9 -5.084 14.032 -9.930 1.00 0.00 C ATOM 90 NZ LYS A 9 -3.975 13.077 -9.653 1.00 0.00 N ATOM 0 H LYS A 9 -6.701 12.049 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.600 10.697 -8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.681 11.509 -9.020 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.556 10.669 -10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.099 12.510 -10.556 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.496 13.308 -9.118 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.710 12.710 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.652 14.184 -11.390 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.686 14.917 -10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.521 14.364 -8.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.989 12.811 -8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.096 12.226 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.065 13.527 -9.879 1.00 0.00 H new ATOM 104 N PHE A 10 -7.571 8.364 -9.036 1.00 0.00 N ATOM 105 CA PHE A 10 -7.224 6.952 -8.925 1.00 0.00 C ATOM 106 C PHE A 10 -6.005 6.622 -9.781 1.00 0.00 C ATOM 107 O PHE A 10 -5.759 7.262 -10.804 1.00 0.00 O ATOM 108 CB PHE A 10 -8.409 6.079 -9.346 1.00 0.00 C ATOM 109 CG PHE A 10 -9.674 6.383 -8.597 1.00 0.00 C ATOM 110 CD1 PHE A 10 -9.746 6.191 -7.226 1.00 0.00 C ATOM 111 CD2 PHE A 10 -10.791 6.862 -9.262 1.00 0.00 C ATOM 112 CE1 PHE A 10 -10.910 6.470 -6.535 1.00 0.00 C ATOM 113 CE2 PHE A 10 -11.957 7.142 -8.576 1.00 0.00 C ATOM 114 CZ PHE A 10 -12.017 6.947 -7.210 1.00 0.00 C ATOM 0 H PHE A 10 -8.165 8.591 -9.833 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.981 6.744 -7.883 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.587 6.212 -10.413 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.150 5.031 -9.195 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.884 5.820 -6.692 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.750 7.018 -10.330 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.954 6.315 -5.467 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.821 7.513 -9.107 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.927 7.167 -6.671 1.00 0.00 H new ATOM 124 N LEU A 11 -5.244 5.620 -9.355 1.00 0.00 N ATOM 125 CA LEU A 11 -4.049 5.204 -10.081 1.00 0.00 C ATOM 126 C LEU A 11 -3.138 6.396 -10.357 1.00 0.00 C ATOM 127 O LEU A 11 -2.523 6.489 -11.420 1.00 0.00 O ATOM 128 CB LEU A 11 -4.438 4.529 -11.397 1.00 0.00 C ATOM 129 CG LEU A 11 -5.260 3.246 -11.276 1.00 0.00 C ATOM 130 CD1 LEU A 11 -5.757 2.800 -12.642 1.00 0.00 C ATOM 131 CD2 LEU A 11 -4.438 2.146 -10.620 1.00 0.00 C ATOM 0 H LEU A 11 -5.433 5.080 -8.510 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.506 4.491 -9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.003 5.244 -11.995 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.526 4.302 -11.949 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.126 3.450 -10.646 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.340 1.885 -12.536 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.382 3.581 -13.074 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.905 2.614 -13.296 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.039 1.240 -10.542 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.553 1.944 -11.224 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.132 2.465 -9.624 1.00 0.00 H new ATOM 143 N THR A 12 -3.053 7.306 -9.391 1.00 0.00 N ATOM 144 CA THR A 12 -2.215 8.491 -9.529 1.00 0.00 C ATOM 145 C THR A 12 -1.494 8.809 -8.225 1.00 0.00 C ATOM 146 O THR A 12 -2.121 8.944 -7.174 1.00 0.00 O ATOM 147 CB THR A 12 -3.044 9.717 -9.957 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.181 9.863 -9.099 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.505 9.582 -11.400 1.00 0.00 C ATOM 0 H THR A 12 -3.554 7.245 -8.505 1.00 0.00 H new ATOM 0 HA THR A 12 -1.479 8.271 -10.303 1.00 0.00 H new ATOM 0 HB THR A 12 -2.412 10.601 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.976 9.488 -8.217 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.088 10.459 -11.679 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.636 9.501 -12.053 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.121 8.689 -11.503 1.00 0.00 H new ATOM 157 N VAL A 13 -0.172 8.928 -8.299 1.00 0.00 N ATOM 158 CA VAL A 13 0.635 9.232 -7.123 1.00 0.00 C ATOM 159 C VAL A 13 0.287 10.605 -6.558 1.00 0.00 C ATOM 160 O VAL A 13 0.586 11.632 -7.165 1.00 0.00 O ATOM 161 CB VAL A 13 2.140 9.191 -7.450 1.00 0.00 C ATOM 162 CG1 VAL A 13 2.955 9.726 -6.282 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.569 7.775 -7.805 1.00 0.00 C ATOM 0 H VAL A 13 0.363 8.819 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 13 0.411 8.468 -6.379 1.00 0.00 H new ATOM 0 HB VAL A 13 2.324 9.830 -8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.015 9.689 -6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.666 10.757 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.769 9.116 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.635 7.764 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.372 7.113 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.008 7.432 -8.675 1.00 0.00 H new ATOM 173 N ASN A 14 -0.348 10.613 -5.390 1.00 0.00 N ATOM 174 CA ASN A 14 -0.738 11.860 -4.741 1.00 0.00 C ATOM 175 C ASN A 14 0.431 12.458 -3.964 1.00 0.00 C ATOM 176 O ASN A 14 0.859 11.909 -2.949 1.00 0.00 O ATOM 177 CB ASN A 14 -1.922 11.622 -3.802 1.00 0.00 C ATOM 178 CG ASN A 14 -2.953 10.682 -4.397 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.773 11.085 -5.222 1.00 0.00 O ATOM 180 ND2 ASN A 14 -2.915 9.422 -3.979 1.00 0.00 N ATOM 0 H ASN A 14 -0.603 9.771 -4.874 1.00 0.00 H new ATOM 0 HA ASN A 14 -1.035 12.567 -5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.558 11.209 -2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.395 12.576 -3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.584 8.743 -4.344 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.217 9.133 -3.293 1.00 0.00 H new ATOM 187 N ASP A 15 0.941 13.585 -4.447 1.00 0.00 N ATOM 188 CA ASP A 15 2.059 14.259 -3.798 1.00 0.00 C ATOM 189 C ASP A 15 1.936 14.174 -2.279 1.00 0.00 C ATOM 190 O ASP A 15 2.869 13.757 -1.593 1.00 0.00 O ATOM 191 CB ASP A 15 2.125 15.722 -4.236 1.00 0.00 C ATOM 192 CG ASP A 15 2.623 15.879 -5.659 1.00 0.00 C ATOM 193 OD1 ASP A 15 3.854 15.827 -5.866 1.00 0.00 O ATOM 194 OD2 ASP A 15 1.783 16.053 -6.566 1.00 0.00 O ATOM 0 H ASP A 15 0.598 14.052 -5.287 1.00 0.00 H new ATOM 0 HA ASP A 15 2.978 13.757 -4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.135 16.169 -4.149 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.782 16.271 -3.562 1.00 0.00 H new ATOM 199 N ASP A 16 0.780 14.574 -1.762 1.00 0.00 N ATOM 200 CA ASP A 16 0.535 14.544 -0.324 1.00 0.00 C ATOM 201 C ASP A 16 1.196 13.327 0.314 1.00 0.00 C ATOM 202 O ASP A 16 0.731 12.198 0.151 1.00 0.00 O ATOM 203 CB ASP A 16 -0.968 14.530 -0.042 1.00 0.00 C ATOM 204 CG ASP A 16 -1.630 15.856 -0.362 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.819 16.151 -1.561 1.00 0.00 O ATOM 206 OD2 ASP A 16 -1.960 16.598 0.586 1.00 0.00 O ATOM 0 H ASP A 16 -0.002 14.923 -2.316 1.00 0.00 H new ATOM 0 HA ASP A 16 0.971 15.442 0.113 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.438 13.742 -0.630 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.135 14.288 1.007 1.00 0.00 H new ATOM 211 N ILE A 17 2.284 13.564 1.040 1.00 0.00 N ATOM 212 CA ILE A 17 3.009 12.487 1.703 1.00 0.00 C ATOM 213 C ILE A 17 2.339 12.100 3.017 1.00 0.00 C ATOM 214 O ILE A 17 2.059 12.954 3.859 1.00 0.00 O ATOM 215 CB ILE A 17 4.471 12.881 1.982 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.527 14.177 2.794 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.237 13.034 0.676 1.00 0.00 C ATOM 218 CD1 ILE A 17 5.931 14.596 3.167 1.00 0.00 C ATOM 0 H ILE A 17 2.682 14.492 1.184 1.00 0.00 H new ATOM 0 HA ILE A 17 2.994 11.633 1.025 1.00 0.00 H new ATOM 0 HB ILE A 17 4.940 12.089 2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.058 14.976 2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.940 14.052 3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.269 13.313 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.222 12.089 0.132 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.770 13.810 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.894 15.522 3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.396 13.815 3.768 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.516 14.754 2.261 1.00 0.00 H new ATOM 230 N LEU A 18 2.084 10.807 3.187 1.00 0.00 N ATOM 231 CA LEU A 18 1.448 10.306 4.400 1.00 0.00 C ATOM 232 C LEU A 18 1.910 8.885 4.710 1.00 0.00 C ATOM 233 O LEU A 18 2.069 8.063 3.808 1.00 0.00 O ATOM 234 CB LEU A 18 -0.074 10.338 4.252 1.00 0.00 C ATOM 235 CG LEU A 18 -0.718 11.725 4.247 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.215 11.617 4.002 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.441 12.447 5.558 1.00 0.00 C ATOM 0 H LEU A 18 2.308 10.087 2.500 1.00 0.00 H new ATOM 0 HA LEU A 18 1.740 10.952 5.227 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.340 9.833 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.511 9.759 5.066 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.278 12.306 3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.656 12.614 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.392 11.141 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.671 11.019 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.907 13.432 5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.852 11.869 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.635 12.557 5.692 1.00 0.00 H new ATOM 249 N SER A 19 2.122 8.604 5.991 1.00 0.00 N ATOM 250 CA SER A 19 2.567 7.283 6.420 1.00 0.00 C ATOM 251 C SER A 19 1.569 6.209 5.998 1.00 0.00 C ATOM 252 O SER A 19 0.441 6.514 5.610 1.00 0.00 O ATOM 253 CB SER A 19 2.755 7.253 7.938 1.00 0.00 C ATOM 254 OG SER A 19 1.512 7.378 8.608 1.00 0.00 O ATOM 0 H SER A 19 1.993 9.273 6.750 1.00 0.00 H new ATOM 0 HA SER A 19 3.522 7.075 5.939 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.237 6.320 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.419 8.063 8.242 1.00 0.00 H new ATOM 0 HG SER A 19 1.666 7.672 9.530 1.00 0.00 H new ATOM 260 N MET A 20 1.992 4.952 6.078 1.00 0.00 N ATOM 261 CA MET A 20 1.135 3.833 5.706 1.00 0.00 C ATOM 262 C MET A 20 -0.233 3.951 6.370 1.00 0.00 C ATOM 263 O MET A 20 -1.275 3.883 5.717 1.00 0.00 O ATOM 264 CB MET A 20 1.792 2.508 6.096 1.00 0.00 C ATOM 265 CG MET A 20 1.549 1.390 5.095 1.00 0.00 C ATOM 266 SD MET A 20 0.054 0.448 5.456 1.00 0.00 S ATOM 267 CE MET A 20 -0.327 -0.216 3.837 1.00 0.00 C ATOM 0 H MET A 20 2.923 4.683 6.397 1.00 0.00 H new ATOM 0 HA MET A 20 0.997 3.857 4.625 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.866 2.662 6.202 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.416 2.199 7.071 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.474 1.814 4.094 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.406 0.717 5.093 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.316 -0.673 3.855 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.312 0.588 3.101 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.415 -0.968 3.568 1.00 0.00 H new ATOM 277 N PRO A 21 -0.233 4.132 7.699 1.00 0.00 N ATOM 278 CA PRO A 21 -1.466 4.263 8.480 1.00 0.00 C ATOM 279 C PRO A 21 -2.191 5.576 8.203 1.00 0.00 C ATOM 280 O PRO A 21 -3.309 5.788 8.670 1.00 0.00 O ATOM 281 CB PRO A 21 -0.975 4.219 9.929 1.00 0.00 C ATOM 282 CG PRO A 21 0.436 4.693 9.865 1.00 0.00 C ATOM 283 CD PRO A 21 0.972 4.222 8.541 1.00 0.00 C ATOM 0 HA PRO A 21 -2.187 3.483 8.236 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.579 4.860 10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.036 3.210 10.337 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.487 5.779 9.942 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.022 4.287 10.690 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.699 4.922 8.129 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.473 3.258 8.630 1.00 0.00 H new ATOM 291 N GLN A 22 -1.546 6.453 7.441 1.00 0.00 N ATOM 292 CA GLN A 22 -2.130 7.745 7.103 1.00 0.00 C ATOM 293 C GLN A 22 -2.709 7.728 5.692 1.00 0.00 C ATOM 294 O GLN A 22 -3.707 8.391 5.413 1.00 0.00 O ATOM 295 CB GLN A 22 -1.079 8.851 7.222 1.00 0.00 C ATOM 296 CG GLN A 22 -0.643 9.124 8.653 1.00 0.00 C ATOM 297 CD GLN A 22 -1.639 9.978 9.413 1.00 0.00 C ATOM 298 OE1 GLN A 22 -2.447 9.467 10.190 1.00 0.00 O ATOM 299 NE2 GLN A 22 -1.586 11.286 9.194 1.00 0.00 N ATOM 0 H GLN A 22 -0.619 6.292 7.046 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.939 7.945 7.806 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.205 8.576 6.631 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.479 9.769 6.791 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.509 8.177 9.175 1.00 0.00 H new ATOM 0 HG3 GLN A 22 0.326 9.623 8.645 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.900 11.667 8.542 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.231 11.911 9.678 1.00 0.00 H new ATOM 308 N ALA A 23 -2.075 6.966 4.807 1.00 0.00 N ATOM 309 CA ALA A 23 -2.529 6.862 3.425 1.00 0.00 C ATOM 310 C ALA A 23 -3.735 5.935 3.312 1.00 0.00 C ATOM 311 O ALA A 23 -4.799 6.341 2.844 1.00 0.00 O ATOM 312 CB ALA A 23 -1.398 6.371 2.534 1.00 0.00 C ATOM 0 H ALA A 23 -1.246 6.412 5.022 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.834 7.854 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.751 6.298 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.565 7.073 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.066 5.390 2.874 1.00 0.00 H new ATOM 318 N ARG A 24 -3.561 4.690 3.742 1.00 0.00 N ATOM 319 CA ARG A 24 -4.635 3.706 3.687 1.00 0.00 C ATOM 320 C ARG A 24 -5.915 4.263 4.301 1.00 0.00 C ATOM 321 O ARG A 24 -7.017 3.964 3.842 1.00 0.00 O ATOM 322 CB ARG A 24 -4.221 2.427 4.418 1.00 0.00 C ATOM 323 CG ARG A 24 -4.171 2.578 5.929 1.00 0.00 C ATOM 324 CD ARG A 24 -3.506 1.379 6.587 1.00 0.00 C ATOM 325 NE ARG A 24 -3.825 1.289 8.010 1.00 0.00 N ATOM 326 CZ ARG A 24 -3.674 0.181 8.728 1.00 0.00 C ATOM 327 NH1 ARG A 24 -3.212 -0.924 8.159 1.00 0.00 N ATOM 328 NH2 ARG A 24 -3.986 0.178 10.017 1.00 0.00 N ATOM 0 H ARG A 24 -2.687 4.339 4.132 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.827 3.473 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.921 1.631 4.164 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.240 2.115 4.060 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.625 3.485 6.187 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.183 2.693 6.318 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.826 0.466 6.085 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.426 1.449 6.461 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.183 2.122 8.478 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.971 -0.925 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.097 -1.773 8.713 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.342 1.026 10.458 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.870 -0.673 10.568 1.00 0.00 H new ATOM 342 N ASN A 25 -5.762 5.076 5.342 1.00 0.00 N ATOM 343 CA ASN A 25 -6.906 5.675 6.019 1.00 0.00 C ATOM 344 C ASN A 25 -7.615 6.673 5.110 1.00 0.00 C ATOM 345 O ASN A 25 -8.842 6.781 5.125 1.00 0.00 O ATOM 346 CB ASN A 25 -6.457 6.369 7.307 1.00 0.00 C ATOM 347 CG ASN A 25 -6.443 5.429 8.496 1.00 0.00 C ATOM 348 OD1 ASN A 25 -7.050 4.358 8.463 1.00 0.00 O ATOM 349 ND2 ASN A 25 -5.748 5.826 9.556 1.00 0.00 N ATOM 0 H ASN A 25 -4.857 5.335 5.735 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.607 4.878 6.269 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.459 6.784 7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.123 7.206 7.517 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.702 5.235 10.386 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.260 6.722 9.540 1.00 0.00 H new ATOM 356 N PHE A 26 -6.835 7.403 4.319 1.00 0.00 N ATOM 357 CA PHE A 26 -7.388 8.394 3.403 1.00 0.00 C ATOM 358 C PHE A 26 -8.087 7.717 2.227 1.00 0.00 C ATOM 359 O PHE A 26 -9.290 7.883 2.027 1.00 0.00 O ATOM 360 CB PHE A 26 -6.282 9.318 2.890 1.00 0.00 C ATOM 361 CG PHE A 26 -6.778 10.389 1.961 1.00 0.00 C ATOM 362 CD1 PHE A 26 -7.922 11.110 2.262 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.101 10.673 0.786 1.00 0.00 C ATOM 364 CE1 PHE A 26 -8.381 12.096 1.410 1.00 0.00 C ATOM 365 CE2 PHE A 26 -6.555 11.658 -0.070 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.698 12.370 0.241 1.00 0.00 C ATOM 0 H PHE A 26 -5.818 7.327 4.294 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.123 8.986 3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.788 9.787 3.741 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.530 8.720 2.374 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -8.461 10.899 3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.209 10.118 0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.273 12.652 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.017 11.871 -0.982 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.056 13.138 -0.428 1.00 0.00 H new ATOM 376 N CYS A 27 -7.323 6.954 1.452 1.00 0.00 N ATOM 377 CA CYS A 27 -7.866 6.253 0.295 1.00 0.00 C ATOM 378 C CYS A 27 -9.224 5.638 0.620 1.00 0.00 C ATOM 379 O CYS A 27 -10.090 5.525 -0.247 1.00 0.00 O ATOM 380 CB CYS A 27 -6.898 5.162 -0.167 1.00 0.00 C ATOM 381 SG CYS A 27 -5.546 5.769 -1.227 1.00 0.00 S ATOM 0 H CYS A 27 -6.325 6.806 1.605 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.997 6.977 -0.509 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.469 4.677 0.710 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.458 4.401 -0.710 1.00 0.00 H new ATOM 386 N ALA A 28 -9.403 5.243 1.876 1.00 0.00 N ATOM 387 CA ALA A 28 -10.656 4.642 2.317 1.00 0.00 C ATOM 388 C ALA A 28 -11.733 5.702 2.517 1.00 0.00 C ATOM 389 O ALA A 28 -12.842 5.580 1.996 1.00 0.00 O ATOM 390 CB ALA A 28 -10.441 3.856 3.602 1.00 0.00 C ATOM 0 H ALA A 28 -8.696 5.328 2.606 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.996 3.959 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.385 3.413 3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.710 3.067 3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.074 4.525 4.381 1.00 0.00 H new ATOM 396 N SER A 29 -11.400 6.742 3.274 1.00 0.00 N ATOM 397 CA SER A 29 -12.341 7.823 3.546 1.00 0.00 C ATOM 398 C SER A 29 -12.791 8.491 2.250 1.00 0.00 C ATOM 399 O SER A 29 -13.927 8.948 2.137 1.00 0.00 O ATOM 400 CB SER A 29 -11.705 8.860 4.474 1.00 0.00 C ATOM 401 OG SER A 29 -12.683 9.738 5.003 1.00 0.00 O ATOM 0 H SER A 29 -10.485 6.859 3.710 1.00 0.00 H new ATOM 0 HA SER A 29 -13.216 7.395 4.036 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.187 8.354 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.956 9.432 3.926 1.00 0.00 H new ATOM 0 HG SER A 29 -12.252 10.390 5.594 1.00 0.00 H new ATOM 407 N ALA A 30 -11.889 8.542 1.275 1.00 0.00 N ATOM 408 CA ALA A 30 -12.192 9.152 -0.014 1.00 0.00 C ATOM 409 C ALA A 30 -13.188 8.306 -0.801 1.00 0.00 C ATOM 410 O ALA A 30 -14.066 8.835 -1.480 1.00 0.00 O ATOM 411 CB ALA A 30 -10.916 9.351 -0.817 1.00 0.00 C ATOM 0 H ALA A 30 -10.943 8.168 1.353 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.647 10.125 0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.158 9.807 -1.777 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.237 10.002 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.437 8.386 -0.984 1.00 0.00 H new ATOM 417 N GLY A 31 -13.043 6.988 -0.705 1.00 0.00 N ATOM 418 CA GLY A 31 -13.936 6.090 -1.414 1.00 0.00 C ATOM 419 C GLY A 31 -13.189 5.033 -2.203 1.00 0.00 C ATOM 420 O GLY A 31 -13.526 4.752 -3.352 1.00 0.00 O ATOM 0 H GLY A 31 -12.323 6.526 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.600 5.604 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.565 6.668 -2.091 1.00 0.00 H new ATOM 424 N GLY A 32 -12.169 4.445 -1.585 1.00 0.00 N ATOM 425 CA GLY A 32 -11.387 3.422 -2.253 1.00 0.00 C ATOM 426 C GLY A 32 -10.390 2.755 -1.325 1.00 0.00 C ATOM 427 O GLY A 32 -10.669 2.558 -0.142 1.00 0.00 O ATOM 0 H GLY A 32 -11.871 4.659 -0.633 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.057 2.667 -2.664 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.855 3.867 -3.094 1.00 0.00 H new ATOM 431 N TYR A 33 -9.226 2.407 -1.861 1.00 0.00 N ATOM 432 CA TYR A 33 -8.186 1.755 -1.074 1.00 0.00 C ATOM 433 C TYR A 33 -6.839 1.824 -1.787 1.00 0.00 C ATOM 434 O TYR A 33 -6.745 2.309 -2.915 1.00 0.00 O ATOM 435 CB TYR A 33 -8.560 0.296 -0.806 1.00 0.00 C ATOM 436 CG TYR A 33 -8.591 -0.560 -2.052 1.00 0.00 C ATOM 437 CD1 TYR A 33 -9.415 -0.232 -3.123 1.00 0.00 C ATOM 438 CD2 TYR A 33 -7.799 -1.696 -2.159 1.00 0.00 C ATOM 439 CE1 TYR A 33 -9.447 -1.011 -4.263 1.00 0.00 C ATOM 440 CE2 TYR A 33 -7.825 -2.480 -3.296 1.00 0.00 C ATOM 441 CZ TYR A 33 -8.651 -2.134 -4.345 1.00 0.00 C ATOM 442 OH TYR A 33 -8.680 -2.913 -5.478 1.00 0.00 O ATOM 0 H TYR A 33 -8.979 2.565 -2.838 1.00 0.00 H new ATOM 0 HA TYR A 33 -8.101 2.282 -0.124 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.846 -0.130 -0.101 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.539 0.263 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.040 0.646 -3.062 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -7.152 -1.971 -1.339 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.092 -0.742 -5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.202 -3.359 -3.363 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.060 -3.665 -5.374 1.00 0.00 H new ATOM 452 N LEU A 34 -5.799 1.335 -1.120 1.00 0.00 N ATOM 453 CA LEU A 34 -4.456 1.340 -1.689 1.00 0.00 C ATOM 454 C LEU A 34 -4.381 0.437 -2.916 1.00 0.00 C ATOM 455 O LEU A 34 -5.001 -0.624 -2.957 1.00 0.00 O ATOM 456 CB LEU A 34 -3.437 0.884 -0.643 1.00 0.00 C ATOM 457 CG LEU A 34 -3.012 1.935 0.383 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.424 1.269 1.617 1.00 0.00 C ATOM 459 CD2 LEU A 34 -2.012 2.905 -0.229 1.00 0.00 C ATOM 0 H LEU A 34 -5.860 0.930 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.222 2.359 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.853 0.030 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.546 0.531 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.895 2.498 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.127 2.033 2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.171 0.616 2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.552 0.680 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.721 3.646 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.130 2.357 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.468 3.408 -1.082 1.00 0.00 H new ATOM 471 N ALA A 35 -3.615 0.867 -3.914 1.00 0.00 N ATOM 472 CA ALA A 35 -3.455 0.095 -5.140 1.00 0.00 C ATOM 473 C ALA A 35 -2.412 -1.003 -4.966 1.00 0.00 C ATOM 474 O ALA A 35 -1.256 -0.729 -4.643 1.00 0.00 O ATOM 475 CB ALA A 35 -3.072 1.011 -6.294 1.00 0.00 C ATOM 0 H ALA A 35 -3.096 1.745 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.409 -0.380 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.956 0.421 -7.203 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.854 1.756 -6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.132 1.512 -6.064 1.00 0.00 H new ATOM 481 N ASP A 36 -2.827 -2.247 -5.181 1.00 0.00 N ATOM 482 CA ASP A 36 -1.928 -3.387 -5.048 1.00 0.00 C ATOM 483 C ASP A 36 -1.016 -3.505 -6.265 1.00 0.00 C ATOM 484 O ASP A 36 -1.321 -2.978 -7.335 1.00 0.00 O ATOM 485 CB ASP A 36 -2.730 -4.677 -4.869 1.00 0.00 C ATOM 486 CG ASP A 36 -3.943 -4.486 -3.980 1.00 0.00 C ATOM 487 OD1 ASP A 36 -4.974 -3.990 -4.481 1.00 0.00 O ATOM 488 OD2 ASP A 36 -3.861 -4.834 -2.783 1.00 0.00 O ATOM 0 H ASP A 36 -3.781 -2.491 -5.448 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.308 -3.228 -4.166 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.052 -5.040 -5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.086 -5.445 -4.440 1.00 0.00 H new ATOM 493 N ASP A 37 0.103 -4.199 -6.094 1.00 0.00 N ATOM 494 CA ASP A 37 1.060 -4.386 -7.178 1.00 0.00 C ATOM 495 C ASP A 37 1.396 -5.864 -7.358 1.00 0.00 C ATOM 496 O ASP A 37 2.519 -6.293 -7.090 1.00 0.00 O ATOM 497 CB ASP A 37 2.337 -3.590 -6.904 1.00 0.00 C ATOM 498 CG ASP A 37 2.176 -2.114 -7.210 1.00 0.00 C ATOM 499 OD1 ASP A 37 1.125 -1.544 -6.848 1.00 0.00 O ATOM 500 OD2 ASP A 37 3.101 -1.529 -7.811 1.00 0.00 O ATOM 0 H ASP A 37 0.370 -4.642 -5.215 1.00 0.00 H new ATOM 0 HA ASP A 37 0.604 -4.020 -8.098 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.621 -3.713 -5.859 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.151 -3.996 -7.505 1.00 0.00 H new ATOM 505 N LEU A 38 0.415 -6.637 -7.811 1.00 0.00 N ATOM 506 CA LEU A 38 0.606 -8.067 -8.025 1.00 0.00 C ATOM 507 C LEU A 38 0.398 -8.430 -9.492 1.00 0.00 C ATOM 508 O LEU A 38 -0.726 -8.681 -9.927 1.00 0.00 O ATOM 509 CB LEU A 38 -0.358 -8.867 -7.148 1.00 0.00 C ATOM 510 CG LEU A 38 -1.785 -8.326 -7.053 1.00 0.00 C ATOM 511 CD1 LEU A 38 -2.766 -9.454 -6.771 1.00 0.00 C ATOM 512 CD2 LEU A 38 -1.879 -7.254 -5.977 1.00 0.00 C ATOM 0 H LEU A 38 -0.520 -6.298 -8.037 1.00 0.00 H new ATOM 0 HA LEU A 38 1.630 -8.317 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.402 -9.887 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.057 -8.920 -6.141 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.046 -7.875 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.776 -9.050 -6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.719 -10.187 -7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.507 -9.934 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.902 -6.881 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.597 -7.680 -5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.205 -6.433 -6.222 1.00 0.00 H new ATOM 524 N GLY A 39 1.489 -8.459 -10.251 1.00 0.00 N ATOM 525 CA GLY A 39 1.405 -8.794 -11.660 1.00 0.00 C ATOM 526 C GLY A 39 2.402 -8.022 -12.501 1.00 0.00 C ATOM 527 O GLY A 39 2.738 -6.880 -12.185 1.00 0.00 O ATOM 0 H GLY A 39 2.430 -8.256 -9.915 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.578 -9.863 -11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.396 -8.590 -12.019 1.00 0.00 H new ATOM 531 N ASP A 40 2.878 -8.645 -13.573 1.00 0.00 N ATOM 532 CA ASP A 40 3.844 -8.009 -14.461 1.00 0.00 C ATOM 533 C ASP A 40 3.234 -6.787 -15.141 1.00 0.00 C ATOM 534 O ASP A 40 3.909 -5.781 -15.353 1.00 0.00 O ATOM 535 CB ASP A 40 4.332 -9.004 -15.515 1.00 0.00 C ATOM 536 CG ASP A 40 3.200 -9.555 -16.360 1.00 0.00 C ATOM 537 OD1 ASP A 40 2.390 -10.341 -15.827 1.00 0.00 O ATOM 538 OD2 ASP A 40 3.124 -9.200 -17.555 1.00 0.00 O ATOM 0 H ASP A 40 2.611 -9.590 -13.848 1.00 0.00 H new ATOM 0 HA ASP A 40 4.693 -7.683 -13.860 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.060 -8.515 -16.162 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.847 -9.828 -15.021 1.00 0.00 H new ATOM 543 N ASP A 41 1.953 -6.884 -15.482 1.00 0.00 N ATOM 544 CA ASP A 41 1.252 -5.787 -16.138 1.00 0.00 C ATOM 545 C ASP A 41 0.883 -4.700 -15.134 1.00 0.00 C ATOM 546 O ASP A 41 0.869 -3.513 -15.463 1.00 0.00 O ATOM 547 CB ASP A 41 -0.008 -6.303 -16.835 1.00 0.00 C ATOM 548 CG ASP A 41 0.256 -6.729 -18.266 1.00 0.00 C ATOM 549 OD1 ASP A 41 0.926 -5.969 -18.997 1.00 0.00 O ATOM 550 OD2 ASP A 41 -0.209 -7.820 -18.657 1.00 0.00 O ATOM 0 H ASP A 41 1.380 -7.711 -15.315 1.00 0.00 H new ATOM 0 HA ASP A 41 1.920 -5.356 -16.884 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.409 -7.148 -16.275 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.770 -5.524 -16.826 1.00 0.00 H new ATOM 555 N LYS A 42 0.582 -5.112 -13.907 1.00 0.00 N ATOM 556 CA LYS A 42 0.212 -4.175 -12.853 1.00 0.00 C ATOM 557 C LYS A 42 1.432 -3.403 -12.359 1.00 0.00 C ATOM 558 O LYS A 42 1.353 -2.205 -12.090 1.00 0.00 O ATOM 559 CB LYS A 42 -0.440 -4.919 -11.686 1.00 0.00 C ATOM 560 CG LYS A 42 -1.448 -4.081 -10.918 1.00 0.00 C ATOM 561 CD LYS A 42 -2.697 -3.816 -11.741 1.00 0.00 C ATOM 562 CE LYS A 42 -3.340 -2.490 -11.368 1.00 0.00 C ATOM 563 NZ LYS A 42 -4.359 -2.066 -12.368 1.00 0.00 N ATOM 0 H LYS A 42 0.587 -6.090 -13.618 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.503 -3.465 -13.268 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.937 -5.811 -12.067 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.338 -5.255 -11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.721 -4.594 -9.996 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.992 -3.133 -10.632 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.442 -3.812 -12.801 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.413 -4.624 -11.589 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.808 -2.577 -10.387 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.570 -1.723 -11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.774 -1.158 -12.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.908 -1.958 -13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.108 -2.785 -12.427 1.00 0.00 H new ATOM 577 N ASN A 43 2.559 -4.098 -12.243 1.00 0.00 N ATOM 578 CA ASN A 43 3.796 -3.477 -11.783 1.00 0.00 C ATOM 579 C ASN A 43 4.378 -2.562 -12.856 1.00 0.00 C ATOM 580 O ASN A 43 4.710 -1.408 -12.589 1.00 0.00 O ATOM 581 CB ASN A 43 4.818 -4.549 -11.401 1.00 0.00 C ATOM 582 CG ASN A 43 6.230 -4.000 -11.323 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.875 -3.862 -12.475 1.00 0.00 O flip ATOM 584 ND2 ASN A 43 6.733 -3.704 -10.239 1.00 0.00 N flip ATOM 0 H ASN A 43 2.641 -5.091 -12.461 1.00 0.00 H new ATOM 0 HA ASN A 43 3.566 -2.875 -10.904 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.545 -4.981 -10.438 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.785 -5.356 -12.133 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.199 -3.827 -9.379 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.683 -3.336 -10.201 1.00 0.00 H new ATOM 591 N ASN A 44 4.497 -3.086 -14.071 1.00 0.00 N ATOM 592 CA ASN A 44 5.039 -2.317 -15.186 1.00 0.00 C ATOM 593 C ASN A 44 4.309 -0.986 -15.333 1.00 0.00 C ATOM 594 O ASN A 44 4.930 0.053 -15.562 1.00 0.00 O ATOM 595 CB ASN A 44 4.931 -3.118 -16.485 1.00 0.00 C ATOM 596 CG ASN A 44 6.020 -4.165 -16.611 1.00 0.00 C ATOM 597 OD1 ASN A 44 7.143 -3.969 -16.144 1.00 0.00 O ATOM 598 ND2 ASN A 44 5.693 -5.285 -17.245 1.00 0.00 N ATOM 0 H ASN A 44 4.226 -4.040 -14.309 1.00 0.00 H new ATOM 0 HA ASN A 44 6.090 -2.114 -14.979 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.956 -3.604 -16.529 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.986 -2.437 -17.334 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.384 -6.026 -17.361 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.750 -5.404 -17.616 1.00 0.00 H new ATOM 605 N PHE A 45 2.987 -1.024 -15.200 1.00 0.00 N ATOM 606 CA PHE A 45 2.172 0.179 -15.319 1.00 0.00 C ATOM 607 C PHE A 45 2.572 1.213 -14.271 1.00 0.00 C ATOM 608 O PHE A 45 2.578 2.415 -14.539 1.00 0.00 O ATOM 609 CB PHE A 45 0.689 -0.167 -15.170 1.00 0.00 C ATOM 610 CG PHE A 45 -0.154 0.989 -14.713 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.486 2.010 -15.589 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.613 1.055 -13.408 1.00 0.00 C ATOM 613 CE1 PHE A 45 -1.262 3.076 -15.172 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.389 2.118 -12.985 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.713 3.130 -13.868 1.00 0.00 C ATOM 0 H PHE A 45 2.458 -1.875 -15.010 1.00 0.00 H new ATOM 0 HA PHE A 45 2.341 0.605 -16.308 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.310 -0.526 -16.127 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.585 -0.986 -14.458 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.135 1.973 -16.610 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.362 0.267 -12.713 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.515 3.865 -15.865 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.742 2.157 -11.965 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.318 3.962 -13.539 1.00 0.00 H new ATOM 625 N TYR A 46 2.905 0.737 -13.076 1.00 0.00 N ATOM 626 CA TYR A 46 3.304 1.619 -11.986 1.00 0.00 C ATOM 627 C TYR A 46 4.708 2.169 -12.215 1.00 0.00 C ATOM 628 O TYR A 46 4.918 3.382 -12.227 1.00 0.00 O ATOM 629 CB TYR A 46 3.248 0.873 -10.652 1.00 0.00 C ATOM 630 CG TYR A 46 1.841 0.584 -10.178 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.914 1.607 -10.028 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.440 -0.713 -9.881 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.372 1.348 -9.594 1.00 0.00 C ATOM 634 CE2 TYR A 46 0.156 -0.982 -9.448 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.746 0.052 -9.306 1.00 0.00 C ATOM 636 OH TYR A 46 -2.026 -0.211 -8.875 1.00 0.00 O ATOM 0 H TYR A 46 2.906 -0.255 -12.838 1.00 0.00 H new ATOM 0 HA TYR A 46 2.606 2.456 -11.957 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.790 -0.068 -10.748 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.764 1.462 -9.894 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.203 2.623 -10.254 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.144 -1.525 -9.991 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.080 2.156 -9.481 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -0.140 -1.996 -9.222 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.026 -1.021 -8.324 1.00 0.00 H new ATOM 646 N SER A 47 5.667 1.267 -12.398 1.00 0.00 N ATOM 647 CA SER A 47 7.053 1.660 -12.625 1.00 0.00 C ATOM 648 C SER A 47 7.126 2.954 -13.430 1.00 0.00 C ATOM 649 O SER A 47 7.936 3.834 -13.139 1.00 0.00 O ATOM 650 CB SER A 47 7.808 0.548 -13.356 1.00 0.00 C ATOM 651 OG SER A 47 9.187 0.853 -13.462 1.00 0.00 O ATOM 0 H SER A 47 5.510 0.259 -12.394 1.00 0.00 H new ATOM 0 HA SER A 47 7.520 1.829 -11.655 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.681 -0.394 -12.822 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.385 0.410 -14.351 1.00 0.00 H new ATOM 0 HG SER A 47 9.648 0.126 -13.931 1.00 0.00 H new ATOM 657 N SER A 48 6.273 3.062 -14.444 1.00 0.00 N ATOM 658 CA SER A 48 6.242 4.246 -15.294 1.00 0.00 C ATOM 659 C SER A 48 5.978 5.501 -14.468 1.00 0.00 C ATOM 660 O SER A 48 6.877 6.314 -14.250 1.00 0.00 O ATOM 661 CB SER A 48 5.169 4.097 -16.374 1.00 0.00 C ATOM 662 OG SER A 48 5.393 2.939 -17.160 1.00 0.00 O ATOM 0 H SER A 48 5.594 2.344 -14.697 1.00 0.00 H new ATOM 0 HA SER A 48 7.217 4.345 -15.772 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.185 4.039 -15.908 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.167 4.980 -17.014 1.00 0.00 H new ATOM 0 HG SER A 48 4.693 2.866 -17.842 1.00 0.00 H new ATOM 668 N ILE A 49 4.739 5.652 -14.013 1.00 0.00 N ATOM 669 CA ILE A 49 4.356 6.808 -13.211 1.00 0.00 C ATOM 670 C ILE A 49 5.249 6.944 -11.983 1.00 0.00 C ATOM 671 O ILE A 49 5.386 8.030 -11.420 1.00 0.00 O ATOM 672 CB ILE A 49 2.887 6.715 -12.756 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.686 5.496 -11.854 1.00 0.00 C ATOM 674 CG2 ILE A 49 1.963 6.647 -13.962 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.391 5.530 -11.072 1.00 0.00 C ATOM 0 H ILE A 49 3.983 4.989 -14.186 1.00 0.00 H new ATOM 0 HA ILE A 49 4.477 7.687 -13.845 1.00 0.00 H new ATOM 0 HB ILE A 49 2.641 7.610 -12.185 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.708 4.594 -12.466 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.521 5.429 -11.156 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.929 6.582 -13.625 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.091 7.543 -14.569 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.207 5.767 -14.558 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.315 4.635 -10.454 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.374 6.414 -10.434 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.549 5.566 -11.764 1.00 0.00 H new ATOM 687 N ALA A 50 5.857 5.836 -11.573 1.00 0.00 N ATOM 688 CA ALA A 50 6.741 5.832 -10.414 1.00 0.00 C ATOM 689 C ALA A 50 8.152 6.261 -10.799 1.00 0.00 C ATOM 690 O ALA A 50 9.121 5.921 -10.120 1.00 0.00 O ATOM 691 CB ALA A 50 6.762 4.453 -9.771 1.00 0.00 C ATOM 0 H ALA A 50 5.753 4.928 -12.027 1.00 0.00 H new ATOM 0 HA ALA A 50 6.356 6.551 -9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.426 4.465 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.755 4.185 -9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.120 3.720 -10.494 1.00 0.00 H new ATOM 697 N ALA A 51 8.262 7.009 -11.892 1.00 0.00 N ATOM 698 CA ALA A 51 9.555 7.485 -12.366 1.00 0.00 C ATOM 699 C ALA A 51 10.345 8.140 -11.239 1.00 0.00 C ATOM 700 O ALA A 51 10.145 9.314 -10.928 1.00 0.00 O ATOM 701 CB ALA A 51 9.369 8.460 -13.519 1.00 0.00 C ATOM 0 H ALA A 51 7.470 7.298 -12.466 1.00 0.00 H new ATOM 0 HA ALA A 51 10.123 6.625 -12.721 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.343 8.807 -13.863 1.00 0.00 H new ATOM 0 HB2 ALA A 51 8.852 7.960 -14.338 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.778 9.312 -13.183 1.00 0.00 H new ATOM 707 N ASN A 52 11.244 7.374 -10.629 1.00 0.00 N ATOM 708 CA ASN A 52 12.064 7.881 -9.534 1.00 0.00 C ATOM 709 C ASN A 52 11.191 8.390 -8.391 1.00 0.00 C ATOM 710 O ASN A 52 11.496 9.407 -7.767 1.00 0.00 O ATOM 711 CB ASN A 52 12.978 9.003 -10.031 1.00 0.00 C ATOM 712 CG ASN A 52 13.878 8.556 -11.167 1.00 0.00 C ATOM 713 OD1 ASN A 52 13.295 8.372 -12.346 1.00 0.00 O flip ATOM 714 ND2 ASN A 52 15.082 8.377 -10.986 1.00 0.00 N flip ATOM 0 H ASN A 52 11.423 6.400 -10.874 1.00 0.00 H new ATOM 0 HA ASN A 52 12.677 7.060 -9.162 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.369 9.844 -10.363 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.592 9.361 -9.204 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.487 8.531 -10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.675 8.075 -11.759 1.00 0.00 H new ATOM 721 N THR A 53 10.103 7.675 -8.121 1.00 0.00 N ATOM 722 CA THR A 53 9.185 8.054 -7.054 1.00 0.00 C ATOM 723 C THR A 53 8.838 6.856 -6.177 1.00 0.00 C ATOM 724 O THR A 53 8.472 5.794 -6.679 1.00 0.00 O ATOM 725 CB THR A 53 7.885 8.656 -7.619 1.00 0.00 C ATOM 726 OG1 THR A 53 8.186 9.789 -8.441 1.00 0.00 O ATOM 727 CG2 THR A 53 6.949 9.073 -6.495 1.00 0.00 C ATOM 0 H THR A 53 9.836 6.830 -8.627 1.00 0.00 H new ATOM 0 HA THR A 53 9.693 8.807 -6.452 1.00 0.00 H new ATOM 0 HB THR A 53 7.389 7.894 -8.220 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.699 9.498 -9.223 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.038 9.495 -6.918 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.698 8.203 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.440 9.820 -5.871 1.00 0.00 H new ATOM 735 N GLN A 54 8.954 7.036 -4.865 1.00 0.00 N ATOM 736 CA GLN A 54 8.652 5.968 -3.919 1.00 0.00 C ATOM 737 C GLN A 54 7.305 6.205 -3.244 1.00 0.00 C ATOM 738 O GLN A 54 7.101 7.223 -2.583 1.00 0.00 O ATOM 739 CB GLN A 54 9.754 5.867 -2.863 1.00 0.00 C ATOM 740 CG GLN A 54 11.126 5.562 -3.444 1.00 0.00 C ATOM 741 CD GLN A 54 12.224 5.604 -2.399 1.00 0.00 C ATOM 742 OE1 GLN A 54 11.968 5.861 -1.222 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.456 5.352 -2.824 1.00 0.00 N ATOM 0 H GLN A 54 9.254 7.910 -4.433 1.00 0.00 H new ATOM 0 HA GLN A 54 8.601 5.030 -4.472 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.803 6.805 -2.310 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.490 5.088 -2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.109 4.576 -3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.351 6.281 -4.231 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.623 5.144 -3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.235 5.367 -2.166 1.00 0.00 H new ATOM 752 N PHE A 55 6.389 5.257 -3.414 1.00 0.00 N ATOM 753 CA PHE A 55 5.061 5.363 -2.822 1.00 0.00 C ATOM 754 C PHE A 55 4.669 4.062 -2.129 1.00 0.00 C ATOM 755 O PHE A 55 5.279 3.017 -2.356 1.00 0.00 O ATOM 756 CB PHE A 55 4.027 5.714 -3.895 1.00 0.00 C ATOM 757 CG PHE A 55 4.004 4.747 -5.044 1.00 0.00 C ATOM 758 CD1 PHE A 55 5.120 4.580 -5.848 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.868 4.005 -5.319 1.00 0.00 C ATOM 760 CE1 PHE A 55 5.101 3.691 -6.907 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.843 3.114 -6.376 1.00 0.00 C ATOM 762 CZ PHE A 55 3.962 2.957 -7.170 1.00 0.00 C ATOM 0 H PHE A 55 6.542 4.407 -3.957 1.00 0.00 H new ATOM 0 HA PHE A 55 5.086 6.158 -2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.038 5.747 -3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.235 6.714 -4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.014 5.150 -5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.991 4.124 -4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.977 3.571 -7.528 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.950 2.542 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.946 2.261 -7.996 1.00 0.00 H new ATOM 772 N TRP A 56 3.648 4.134 -1.283 1.00 0.00 N ATOM 773 CA TRP A 56 3.174 2.961 -0.556 1.00 0.00 C ATOM 774 C TRP A 56 2.306 2.081 -1.448 1.00 0.00 C ATOM 775 O TRP A 56 1.773 2.540 -2.458 1.00 0.00 O ATOM 776 CB TRP A 56 2.385 3.389 0.683 1.00 0.00 C ATOM 777 CG TRP A 56 3.226 4.082 1.713 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.141 5.390 2.094 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.280 3.503 2.490 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.078 5.660 3.062 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.789 4.518 3.323 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.841 2.225 2.565 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.832 4.293 4.217 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.877 2.004 3.453 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.363 3.033 4.270 1.00 0.00 C ATOM 0 H TRP A 56 3.132 4.991 -1.083 1.00 0.00 H new ATOM 0 HA TRP A 56 4.043 2.382 -0.243 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.576 4.053 0.378 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.924 2.510 1.133 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.440 6.107 1.693 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.221 6.564 3.513 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.472 1.425 1.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.209 5.085 4.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.319 1.021 3.518 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.172 2.828 4.955 1.00 0.00 H new ATOM 796 N ILE A 57 2.167 0.815 -1.067 1.00 0.00 N ATOM 797 CA ILE A 57 1.362 -0.128 -1.833 1.00 0.00 C ATOM 798 C ILE A 57 0.424 -0.915 -0.924 1.00 0.00 C ATOM 799 O ILE A 57 0.422 -0.731 0.292 1.00 0.00 O ATOM 800 CB ILE A 57 2.245 -1.115 -2.619 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.273 -1.764 -1.689 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.940 -0.403 -3.770 1.00 0.00 C ATOM 803 CD1 ILE A 57 4.257 -2.660 -2.408 1.00 0.00 C ATOM 0 H ILE A 57 2.601 0.419 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 57 0.773 0.460 -2.538 1.00 0.00 H new ATOM 0 HB ILE A 57 1.610 -1.899 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.822 -0.982 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.749 -2.347 -0.932 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.560 -1.114 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.192 0.017 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.566 0.398 -3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.955 -3.086 -1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.718 -3.464 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.808 -2.077 -3.146 1.00 0.00 H new ATOM 815 N GLY A 58 -0.372 -1.795 -1.524 1.00 0.00 N ATOM 816 CA GLY A 58 -1.303 -2.599 -0.753 1.00 0.00 C ATOM 817 C GLY A 58 -0.606 -3.671 0.062 1.00 0.00 C ATOM 818 O GLY A 58 -1.217 -4.297 0.929 1.00 0.00 O ATOM 0 H GLY A 58 -0.389 -1.966 -2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.871 -1.951 -0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.019 -3.068 -1.428 1.00 0.00 H new ATOM 822 N LEU A 59 0.675 -3.884 -0.217 1.00 0.00 N ATOM 823 CA LEU A 59 1.456 -4.890 0.495 1.00 0.00 C ATOM 824 C LEU A 59 1.932 -4.355 1.842 1.00 0.00 C ATOM 825 O LEU A 59 2.630 -3.343 1.909 1.00 0.00 O ATOM 826 CB LEU A 59 2.657 -5.323 -0.348 1.00 0.00 C ATOM 827 CG LEU A 59 3.199 -6.726 -0.071 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.127 -7.773 -0.328 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.429 -6.999 -0.925 1.00 0.00 C ATOM 0 H LEU A 59 1.195 -3.374 -0.931 1.00 0.00 H new ATOM 0 HA LEU A 59 0.815 -5.754 0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.378 -5.264 -1.400 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.463 -4.606 -0.192 1.00 0.00 H new ATOM 0 HG LEU A 59 3.488 -6.783 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.531 -8.765 -0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.274 -7.588 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.806 -7.717 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.802 -8.002 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.164 -6.923 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.203 -6.268 -0.692 1.00 0.00 H new ATOM 841 N PHE A 60 1.552 -5.043 2.914 1.00 0.00 N ATOM 842 CA PHE A 60 1.941 -4.638 4.260 1.00 0.00 C ATOM 843 C PHE A 60 2.085 -5.853 5.172 1.00 0.00 C ATOM 844 O PHE A 60 1.339 -6.825 5.055 1.00 0.00 O ATOM 845 CB PHE A 60 0.910 -3.669 4.842 1.00 0.00 C ATOM 846 CG PHE A 60 -0.430 -4.298 5.093 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.608 -5.185 6.143 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.512 -4.003 4.280 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.840 -5.766 6.375 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.747 -4.581 4.508 1.00 0.00 C ATOM 851 CZ PHE A 60 -2.911 -5.463 5.558 1.00 0.00 C ATOM 0 H PHE A 60 0.975 -5.883 2.877 1.00 0.00 H new ATOM 0 HA PHE A 60 2.906 -4.136 4.197 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.293 -3.263 5.778 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.786 -2.829 4.158 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.225 -5.425 6.787 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.389 -3.313 3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.965 -6.457 7.195 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.582 -4.343 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.875 -5.915 5.740 1.00 0.00 H new ATOM 861 N LYS A 61 3.052 -5.790 6.082 1.00 0.00 N ATOM 862 CA LYS A 61 3.296 -6.883 7.016 1.00 0.00 C ATOM 863 C LYS A 61 2.279 -6.864 8.153 1.00 0.00 C ATOM 864 O LYS A 61 1.864 -5.800 8.610 1.00 0.00 O ATOM 865 CB LYS A 61 4.713 -6.787 7.585 1.00 0.00 C ATOM 866 CG LYS A 61 5.081 -7.944 8.499 1.00 0.00 C ATOM 867 CD LYS A 61 6.584 -8.164 8.542 1.00 0.00 C ATOM 868 CE LYS A 61 7.063 -8.969 7.344 1.00 0.00 C ATOM 869 NZ LYS A 61 8.532 -9.208 7.388 1.00 0.00 N ATOM 0 H LYS A 61 3.679 -4.993 6.192 1.00 0.00 H new ATOM 0 HA LYS A 61 3.191 -7.822 6.473 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.425 -6.746 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.811 -5.853 8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.712 -7.745 9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.589 -8.853 8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 61 7.094 -7.201 8.562 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.851 -8.685 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.540 -9.925 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.808 -8.440 6.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.819 -9.760 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.032 -8.296 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.772 -9.735 8.252 1.00 0.00 H new ATOM 883 N ASN A 62 1.882 -8.049 8.605 1.00 0.00 N ATOM 884 CA ASN A 62 0.914 -8.169 9.689 1.00 0.00 C ATOM 885 C ASN A 62 1.559 -8.779 10.930 1.00 0.00 C ATOM 886 O ASN A 62 2.726 -9.168 10.908 1.00 0.00 O ATOM 887 CB ASN A 62 -0.276 -9.023 9.247 1.00 0.00 C ATOM 888 CG ASN A 62 -1.553 -8.661 9.981 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.621 -7.638 10.663 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.572 -9.502 9.846 1.00 0.00 N ATOM 0 H ASN A 62 2.216 -8.940 8.237 1.00 0.00 H new ATOM 0 HA ASN A 62 0.561 -7.168 9.939 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.429 -8.900 8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.048 -10.075 9.418 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.456 -9.312 10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.470 -10.338 9.270 1.00 0.00 H new ATOM 897 N SER A 63 0.789 -8.861 12.011 1.00 0.00 N ATOM 898 CA SER A 63 1.286 -9.421 13.262 1.00 0.00 C ATOM 899 C SER A 63 1.801 -10.842 13.054 1.00 0.00 C ATOM 900 O SER A 63 2.718 -11.289 13.744 1.00 0.00 O ATOM 901 CB SER A 63 0.182 -9.416 14.321 1.00 0.00 C ATOM 902 OG SER A 63 -0.930 -10.188 13.902 1.00 0.00 O ATOM 0 H SER A 63 -0.181 -8.547 12.045 1.00 0.00 H new ATOM 0 HA SER A 63 2.113 -8.800 13.607 1.00 0.00 H new ATOM 0 HB2 SER A 63 0.571 -9.813 15.259 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.135 -8.391 14.515 1.00 0.00 H new ATOM 0 HG SER A 63 -1.621 -10.170 14.597 1.00 0.00 H new ATOM 908 N ASP A 64 1.204 -11.547 12.100 1.00 0.00 N ATOM 909 CA ASP A 64 1.602 -12.918 11.800 1.00 0.00 C ATOM 910 C ASP A 64 2.882 -12.942 10.970 1.00 0.00 C ATOM 911 O ASP A 64 3.320 -13.999 10.518 1.00 0.00 O ATOM 912 CB ASP A 64 0.482 -13.644 11.053 1.00 0.00 C ATOM 913 CG ASP A 64 -0.727 -13.901 11.931 1.00 0.00 C ATOM 914 OD1 ASP A 64 -0.761 -14.955 12.601 1.00 0.00 O ATOM 915 OD2 ASP A 64 -1.640 -13.049 11.949 1.00 0.00 O ATOM 0 H ASP A 64 0.443 -11.192 11.521 1.00 0.00 H new ATOM 0 HA ASP A 64 1.792 -13.431 12.743 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.181 -13.051 10.190 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.859 -14.593 10.672 1.00 0.00 H new ATOM 920 N GLY A 65 3.477 -11.770 10.774 1.00 0.00 N ATOM 921 CA GLY A 65 4.700 -11.679 9.998 1.00 0.00 C ATOM 922 C GLY A 65 4.491 -12.040 8.541 1.00 0.00 C ATOM 923 O GLY A 65 5.399 -12.550 7.885 1.00 0.00 O ATOM 0 H GLY A 65 3.134 -10.881 11.139 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.094 -10.665 10.065 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.450 -12.342 10.429 1.00 0.00 H new ATOM 927 N GLN A 66 3.290 -11.778 8.035 1.00 0.00 N ATOM 928 CA GLN A 66 2.965 -12.082 6.646 1.00 0.00 C ATOM 929 C GLN A 66 2.591 -10.814 5.885 1.00 0.00 C ATOM 930 O GLN A 66 2.186 -9.816 6.481 1.00 0.00 O ATOM 931 CB GLN A 66 1.815 -13.089 6.579 1.00 0.00 C ATOM 932 CG GLN A 66 1.902 -14.183 7.630 1.00 0.00 C ATOM 933 CD GLN A 66 1.037 -15.383 7.297 1.00 0.00 C ATOM 934 OE1 GLN A 66 0.364 -15.410 6.267 1.00 0.00 O ATOM 935 NE2 GLN A 66 1.050 -16.383 8.171 1.00 0.00 N ATOM 0 H GLN A 66 2.527 -11.357 8.565 1.00 0.00 H new ATOM 0 HA GLN A 66 3.848 -12.517 6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.871 -12.558 6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.802 -13.547 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.939 -14.504 7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.599 -13.779 8.596 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.623 -16.318 9.012 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.487 -17.216 8.001 1.00 0.00 H new ATOM 944 N PHE A 67 2.731 -10.860 4.564 1.00 0.00 N ATOM 945 CA PHE A 67 2.410 -9.715 3.721 1.00 0.00 C ATOM 946 C PHE A 67 1.025 -9.869 3.099 1.00 0.00 C ATOM 947 O PHE A 67 0.784 -10.785 2.312 1.00 0.00 O ATOM 948 CB PHE A 67 3.461 -9.554 2.621 1.00 0.00 C ATOM 949 CG PHE A 67 4.788 -9.065 3.126 1.00 0.00 C ATOM 950 CD1 PHE A 67 4.952 -7.746 3.519 1.00 0.00 C ATOM 951 CD2 PHE A 67 5.871 -9.924 3.210 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.172 -7.294 3.983 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.094 -9.478 3.674 1.00 0.00 C ATOM 954 CZ PHE A 67 7.244 -8.161 4.063 1.00 0.00 C ATOM 0 H PHE A 67 3.065 -11.678 4.055 1.00 0.00 H new ATOM 0 HA PHE A 67 2.410 -8.823 4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.602 -10.513 2.122 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.087 -8.856 1.872 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.117 -7.064 3.462 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.758 -10.955 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.288 -6.263 4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.931 -10.158 3.732 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.198 -7.810 4.429 1.00 0.00 H new ATOM 964 N TYR A 68 0.118 -8.967 3.457 1.00 0.00 N ATOM 965 CA TYR A 68 -1.243 -9.003 2.937 1.00 0.00 C ATOM 966 C TYR A 68 -1.478 -7.868 1.945 1.00 0.00 C ATOM 967 O TYR A 68 -0.652 -6.966 1.810 1.00 0.00 O ATOM 968 CB TYR A 68 -2.252 -8.910 4.083 1.00 0.00 C ATOM 969 CG TYR A 68 -2.087 -9.995 5.124 1.00 0.00 C ATOM 970 CD1 TYR A 68 -1.015 -9.980 6.008 1.00 0.00 C ATOM 971 CD2 TYR A 68 -3.004 -11.034 5.224 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.860 -10.969 6.959 1.00 0.00 C ATOM 973 CE2 TYR A 68 -2.858 -12.027 6.174 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.784 -11.990 7.039 1.00 0.00 C ATOM 975 OH TYR A 68 -1.635 -12.976 7.987 1.00 0.00 O ATOM 0 H TYR A 68 0.301 -8.202 4.106 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.380 -9.951 2.416 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -2.153 -7.937 4.565 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -3.261 -8.962 3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.291 -9.181 5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.845 -11.066 4.548 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.020 -10.943 7.637 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.580 -12.827 6.239 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.371 -13.618 7.910 1.00 0.00 H new ATOM 985 N TRP A 69 -2.611 -7.921 1.253 1.00 0.00 N ATOM 986 CA TRP A 69 -2.956 -6.898 0.273 1.00 0.00 C ATOM 987 C TRP A 69 -4.132 -6.056 0.756 1.00 0.00 C ATOM 988 O TRP A 69 -5.213 -6.581 1.026 1.00 0.00 O ATOM 989 CB TRP A 69 -3.293 -7.543 -1.072 1.00 0.00 C ATOM 990 CG TRP A 69 -2.099 -8.122 -1.769 1.00 0.00 C ATOM 991 CD1 TRP A 69 -1.840 -9.445 -1.988 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.002 -7.397 -2.335 1.00 0.00 C ATOM 993 NE1 TRP A 69 -0.648 -9.586 -2.657 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.115 -8.345 -2.882 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.685 -6.040 -2.436 1.00 0.00 C ATOM 996 CZ2 TRP A 69 1.068 -7.976 -3.518 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.490 -5.676 -3.066 1.00 0.00 C ATOM 998 CH2 TRP A 69 1.354 -6.640 -3.602 1.00 0.00 C ATOM 0 H TRP A 69 -3.306 -8.661 1.353 1.00 0.00 H new ATOM 0 HA TRP A 69 -2.093 -6.245 0.148 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -4.030 -8.330 -0.915 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.756 -6.797 -1.718 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.478 -10.260 -1.681 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.228 -10.472 -2.940 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.346 -5.289 -2.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.736 -8.718 -3.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.747 -4.630 -3.147 1.00 0.00 H new ATOM 0 HH2 TRP A 69 2.263 -6.323 -4.091 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.915 -4.750 0.863 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.959 -3.836 1.312 1.00 0.00 C ATOM 1011 C ASP A 70 -6.220 -3.993 0.468 1.00 0.00 C ATOM 1012 O ASP A 70 -6.171 -3.908 -0.759 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.463 -2.391 1.247 1.00 0.00 C ATOM 1014 CG ASP A 70 -5.399 -1.425 1.948 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -6.338 -0.928 1.291 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -5.193 -1.169 3.152 1.00 0.00 O ATOM 0 H ASP A 70 -3.026 -4.300 0.645 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.203 -4.082 2.345 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.474 -2.329 1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.354 -2.094 0.204 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.347 -4.223 1.134 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.620 -4.394 0.444 1.00 0.00 C ATOM 1023 C ARG A 71 -9.527 -3.188 0.669 1.00 0.00 C ATOM 1024 O ARG A 71 -10.470 -2.958 -0.086 1.00 0.00 O ATOM 1025 CB ARG A 71 -9.318 -5.667 0.926 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.810 -6.932 0.253 1.00 0.00 C ATOM 1027 CD ARG A 71 -9.048 -6.899 -1.249 1.00 0.00 C ATOM 1028 NE ARG A 71 -7.922 -6.310 -1.968 1.00 0.00 N ATOM 1029 CZ ARG A 71 -7.907 -6.122 -3.283 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -8.952 -6.475 -4.018 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -6.845 -5.580 -3.865 1.00 0.00 N ATOM 0 H ARG A 71 -7.404 -4.295 2.150 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.417 -4.480 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.183 -5.760 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.389 -5.575 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.744 -7.048 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.310 -7.800 0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.219 -7.913 -1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.952 -6.328 -1.460 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.102 -6.027 -1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.770 -6.892 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.938 -6.330 -5.027 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.039 -5.307 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -6.835 -5.436 -4.875 1.00 0.00 H new ATOM 1045 N GLY A 72 -9.234 -2.421 1.715 1.00 0.00 N ATOM 1046 CA GLY A 72 -10.032 -1.248 2.022 1.00 0.00 C ATOM 1047 C GLY A 72 -10.152 -1.002 3.513 1.00 0.00 C ATOM 1048 O GLY A 72 -9.230 -1.298 4.273 1.00 0.00 O ATOM 0 H GLY A 72 -8.458 -2.591 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.585 -0.374 1.548 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -11.028 -1.368 1.595 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.290 -0.459 3.931 1.00 0.00 N ATOM 1053 CA GLN A 73 -11.526 -0.171 5.341 1.00 0.00 C ATOM 1054 C GLN A 73 -12.411 -1.240 5.975 1.00 0.00 C ATOM 1055 O GLN A 73 -13.589 -1.361 5.642 1.00 0.00 O ATOM 1056 CB GLN A 73 -12.174 1.205 5.501 1.00 0.00 C ATOM 1057 CG GLN A 73 -12.337 1.636 6.950 1.00 0.00 C ATOM 1058 CD GLN A 73 -13.511 2.573 7.152 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -14.040 3.139 6.195 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -13.926 2.741 8.402 1.00 0.00 N ATOM 0 H GLN A 73 -12.063 -0.210 3.314 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.563 -0.173 5.852 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.570 1.945 4.976 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -13.153 1.194 5.021 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.470 0.753 7.575 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.423 2.128 7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.458 2.252 9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.713 3.359 8.599 1.00 0.00 H new ATOM 1069 N GLY A 74 -11.833 -2.014 6.889 1.00 0.00 N ATOM 1070 CA GLY A 74 -12.584 -3.063 7.554 1.00 0.00 C ATOM 1071 C GLY A 74 -12.604 -4.354 6.760 1.00 0.00 C ATOM 1072 O GLY A 74 -12.608 -5.443 7.333 1.00 0.00 O ATOM 0 H GLY A 74 -10.859 -1.933 7.181 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.149 -3.251 8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.607 -2.725 7.718 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.619 -4.232 5.436 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.639 -5.399 4.563 1.00 0.00 C ATOM 1078 C ILE A 75 -11.490 -6.348 4.886 1.00 0.00 C ATOM 1079 O ILE A 75 -10.408 -5.916 5.281 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.554 -4.994 3.080 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.680 -4.019 2.729 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.616 -6.226 2.189 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -15.033 -4.681 2.598 1.00 0.00 C ATOM 0 H ILE A 75 -12.618 -3.338 4.946 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.587 -5.908 4.739 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.600 -4.495 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.735 -3.248 3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -13.437 -3.518 1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.555 -5.923 1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.782 -6.888 2.424 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.556 -6.752 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.783 -3.930 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.995 -5.433 1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -15.298 -5.158 3.542 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.733 -7.643 4.713 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.717 -8.654 4.985 1.00 0.00 C ATOM 1097 C ASN A 76 -9.562 -8.545 3.994 1.00 0.00 C ATOM 1098 O ASN A 76 -9.752 -8.561 2.777 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.331 -10.054 4.918 1.00 0.00 C ATOM 1100 CG ASN A 76 -11.923 -10.489 6.245 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -12.137 -9.672 7.140 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -12.190 -11.784 6.377 1.00 0.00 N ATOM 0 H ASN A 76 -12.624 -8.017 4.386 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.328 -8.482 5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.108 -10.071 4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.567 -10.769 4.612 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.589 -12.136 7.247 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.996 -12.426 5.608 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.336 -8.433 4.525 1.00 0.00 N ATOM 1110 CA PRO A 77 -7.125 -8.321 3.705 1.00 0.00 C ATOM 1111 C PRO A 77 -6.797 -9.619 2.975 1.00 0.00 C ATOM 1112 O PRO A 77 -7.028 -10.710 3.496 1.00 0.00 O ATOM 1113 CB PRO A 77 -6.034 -7.991 4.727 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.539 -8.548 6.013 1.00 0.00 C ATOM 1115 CD PRO A 77 -8.036 -8.407 5.966 1.00 0.00 C ATOM 0 HA PRO A 77 -7.232 -7.573 2.919 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.081 -8.441 4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.870 -6.916 4.798 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.249 -9.592 6.127 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.123 -8.007 6.863 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.533 -9.220 6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.367 -7.477 6.429 1.00 0.00 H new ATOM 1123 N ASP A 78 -6.258 -9.493 1.768 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.896 -10.656 0.966 1.00 0.00 C ATOM 1125 C ASP A 78 -4.418 -10.995 1.136 1.00 0.00 C ATOM 1126 O ASP A 78 -3.547 -10.296 0.616 1.00 0.00 O ATOM 1127 CB ASP A 78 -6.208 -10.403 -0.509 1.00 0.00 C ATOM 1128 CG ASP A 78 -7.643 -10.741 -0.864 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -8.556 -10.290 -0.140 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -7.853 -11.456 -1.866 1.00 0.00 O ATOM 0 H ASP A 78 -6.062 -8.597 1.323 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.487 -11.504 1.313 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.016 -9.356 -0.744 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.534 -10.997 -1.127 1.00 0.00 H new ATOM 1135 N LEU A 79 -4.143 -12.069 1.867 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.770 -12.500 2.107 1.00 0.00 C ATOM 1137 C LEU A 79 -2.029 -12.714 0.791 1.00 0.00 C ATOM 1138 O LEU A 79 -2.646 -12.917 -0.256 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.756 -13.790 2.928 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.378 -14.387 3.217 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.627 -13.533 4.227 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -1.511 -15.817 3.718 1.00 0.00 C ATOM 0 H LEU A 79 -4.852 -12.658 2.304 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.261 -11.715 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.253 -13.597 3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.351 -14.538 2.403 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.807 -14.401 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.351 -13.974 4.420 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.499 -12.526 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.194 -13.486 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.521 -16.226 3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.101 -15.828 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.007 -16.423 2.960 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.703 -12.669 0.851 1.00 0.00 N ATOM 1155 CA LEU A 80 0.124 -12.860 -0.336 1.00 0.00 C ATOM 1156 C LEU A 80 0.254 -14.341 -0.677 1.00 0.00 C ATOM 1157 O LEU A 80 1.071 -15.052 -0.094 1.00 0.00 O ATOM 1158 CB LEU A 80 1.510 -12.251 -0.120 1.00 0.00 C ATOM 1159 CG LEU A 80 2.532 -12.497 -1.230 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.371 -11.471 -2.341 1.00 0.00 C ATOM 1161 CD2 LEU A 80 3.947 -12.462 -0.671 1.00 0.00 C ATOM 0 H LEU A 80 -0.177 -12.502 1.709 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.361 -12.355 -1.171 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.396 -11.175 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.915 -12.643 0.813 1.00 0.00 H new ATOM 0 HG LEU A 80 2.353 -13.487 -1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.107 -11.662 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.368 -11.544 -2.762 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.523 -10.470 -1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.661 -12.639 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.138 -11.486 -0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.057 -13.236 0.089 1.00 0.00 H new ATOM 1173 N ASN A 81 -0.557 -14.798 -1.625 1.00 0.00 N ATOM 1174 CA ASN A 81 -0.532 -16.195 -2.045 1.00 0.00 C ATOM 1175 C ASN A 81 -0.127 -16.315 -3.511 1.00 0.00 C ATOM 1176 O ASN A 81 -0.606 -17.193 -4.227 1.00 0.00 O ATOM 1177 CB ASN A 81 -1.902 -16.839 -1.828 1.00 0.00 C ATOM 1178 CG ASN A 81 -2.877 -16.513 -2.944 1.00 0.00 C ATOM 1179 OD1 ASN A 81 -2.870 -15.408 -3.486 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -3.722 -17.477 -3.291 1.00 0.00 N ATOM 0 H ASN A 81 -1.240 -14.222 -2.117 1.00 0.00 H new ATOM 0 HA ASN A 81 0.207 -16.718 -1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.785 -17.920 -1.756 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.314 -16.499 -0.878 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -4.401 -17.316 -4.035 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.692 -18.378 -2.814 1.00 0.00 H new ATOM 1187 N GLN A 82 0.759 -15.426 -3.949 1.00 0.00 N ATOM 1188 CA GLN A 82 1.229 -15.433 -5.330 1.00 0.00 C ATOM 1189 C GLN A 82 2.637 -16.012 -5.423 1.00 0.00 C ATOM 1190 O GLN A 82 3.508 -15.724 -4.603 1.00 0.00 O ATOM 1191 CB GLN A 82 1.208 -14.016 -5.905 1.00 0.00 C ATOM 1192 CG GLN A 82 2.063 -13.030 -5.125 1.00 0.00 C ATOM 1193 CD GLN A 82 1.753 -11.587 -5.470 1.00 0.00 C ATOM 1194 OE1 GLN A 82 0.748 -11.033 -5.023 1.00 0.00 O ATOM 1195 NE2 GLN A 82 2.615 -10.970 -6.269 1.00 0.00 N ATOM 0 H GLN A 82 1.166 -14.692 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 82 0.558 -16.064 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.555 -14.047 -6.938 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.179 -13.656 -5.925 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.907 -13.186 -4.057 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.116 -13.229 -5.326 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.435 -11.468 -6.616 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.458 -9.998 -6.536 1.00 0.00 H new ATOM 1204 N PRO A 83 2.866 -16.849 -6.446 1.00 0.00 N ATOM 1205 CA PRO A 83 4.167 -17.486 -6.671 1.00 0.00 C ATOM 1206 C PRO A 83 5.231 -16.489 -7.120 1.00 0.00 C ATOM 1207 O PRO A 83 6.413 -16.649 -6.813 1.00 0.00 O ATOM 1208 CB PRO A 83 3.879 -18.497 -7.783 1.00 0.00 C ATOM 1209 CG PRO A 83 2.698 -17.944 -8.502 1.00 0.00 C ATOM 1210 CD PRO A 83 1.874 -17.237 -7.462 1.00 0.00 C ATOM 0 HA PRO A 83 4.564 -17.935 -5.760 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.734 -18.605 -8.451 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.667 -19.485 -7.374 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.007 -17.256 -9.289 1.00 0.00 H new ATOM 0 HG3 PRO A 83 2.125 -18.738 -8.980 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.363 -16.368 -7.877 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.107 -17.890 -7.046 1.00 0.00 H new ATOM 1218 N ILE A 84 4.803 -15.462 -7.846 1.00 0.00 N ATOM 1219 CA ILE A 84 5.719 -14.439 -8.335 1.00 0.00 C ATOM 1220 C ILE A 84 5.814 -13.273 -7.357 1.00 0.00 C ATOM 1221 O ILE A 84 4.807 -12.825 -6.808 1.00 0.00 O ATOM 1222 CB ILE A 84 5.284 -13.905 -9.713 1.00 0.00 C ATOM 1223 CG1 ILE A 84 5.222 -15.047 -10.730 1.00 0.00 C ATOM 1224 CG2 ILE A 84 6.238 -12.819 -10.185 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.683 -14.626 -12.078 1.00 0.00 C ATOM 0 H ILE A 84 3.828 -15.316 -8.109 1.00 0.00 H new ATOM 0 HA ILE A 84 6.697 -14.911 -8.430 1.00 0.00 H new ATOM 0 HB ILE A 84 4.288 -13.471 -9.621 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.222 -15.461 -10.861 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.596 -15.845 -10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.917 -12.452 -11.160 1.00 0.00 H new ATOM 0 HG22 ILE A 84 6.236 -11.997 -9.469 1.00 0.00 H new ATOM 0 HG23 ILE A 84 7.245 -13.229 -10.265 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.667 -15.485 -12.748 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.671 -14.239 -11.960 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.322 -13.849 -12.499 1.00 0.00 H new ATOM 1237 N THR A 85 7.031 -12.782 -7.145 1.00 0.00 N ATOM 1238 CA THR A 85 7.258 -11.667 -6.235 1.00 0.00 C ATOM 1239 C THR A 85 8.326 -10.724 -6.776 1.00 0.00 C ATOM 1240 O THR A 85 9.125 -11.102 -7.633 1.00 0.00 O ATOM 1241 CB THR A 85 7.683 -12.160 -4.838 1.00 0.00 C ATOM 1242 OG1 THR A 85 8.812 -13.034 -4.950 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.539 -12.887 -4.149 1.00 0.00 C ATOM 0 H THR A 85 7.875 -13.140 -7.592 1.00 0.00 H new ATOM 0 HA THR A 85 6.313 -11.130 -6.151 1.00 0.00 H new ATOM 0 HB THR A 85 7.954 -11.292 -4.237 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.077 -13.342 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.863 -13.225 -3.165 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.692 -12.210 -4.039 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.241 -13.747 -4.748 1.00 0.00 H new ATOM 1251 N TYR A 86 8.335 -9.496 -6.270 1.00 0.00 N ATOM 1252 CA TYR A 86 9.305 -8.497 -6.704 1.00 0.00 C ATOM 1253 C TYR A 86 10.184 -8.049 -5.540 1.00 0.00 C ATOM 1254 O TYR A 86 10.818 -6.996 -5.597 1.00 0.00 O ATOM 1255 CB TYR A 86 8.588 -7.290 -7.311 1.00 0.00 C ATOM 1256 CG TYR A 86 7.679 -7.643 -8.466 1.00 0.00 C ATOM 1257 CD1 TYR A 86 8.202 -8.062 -9.684 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.298 -7.556 -8.341 1.00 0.00 C ATOM 1259 CE1 TYR A 86 7.375 -8.385 -10.742 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.464 -7.879 -9.394 1.00 0.00 C ATOM 1261 CZ TYR A 86 6.007 -8.292 -10.593 1.00 0.00 C ATOM 1262 OH TYR A 86 5.180 -8.613 -11.644 1.00 0.00 O ATOM 0 H TYR A 86 7.682 -9.168 -5.559 1.00 0.00 H new ATOM 0 HA TYR A 86 9.942 -8.952 -7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 86 8.001 -6.799 -6.535 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.332 -6.570 -7.652 1.00 0.00 H new ATOM 0 HD1 TYR A 86 9.273 -8.136 -9.805 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.869 -7.230 -7.405 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.798 -8.709 -11.682 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.392 -7.809 -9.279 1.00 0.00 H new ATOM 0 HH TYR A 86 4.591 -9.351 -11.383 1.00 0.00 H new ATOM 1272 N TRP A 87 10.216 -8.857 -4.487 1.00 0.00 N ATOM 1273 CA TRP A 87 11.017 -8.545 -3.309 1.00 0.00 C ATOM 1274 C TRP A 87 12.431 -8.136 -3.705 1.00 0.00 C ATOM 1275 O TRP A 87 13.125 -8.870 -4.408 1.00 0.00 O ATOM 1276 CB TRP A 87 11.066 -9.749 -2.367 1.00 0.00 C ATOM 1277 CG TRP A 87 9.756 -10.033 -1.697 1.00 0.00 C ATOM 1278 CD1 TRP A 87 9.033 -11.190 -1.768 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.012 -9.144 -0.857 1.00 0.00 C ATOM 1280 NE1 TRP A 87 7.884 -11.073 -1.022 1.00 0.00 N ATOM 1281 CE2 TRP A 87 7.849 -9.828 -0.452 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.217 -7.838 -0.405 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 6.896 -9.247 0.380 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.270 -7.263 0.421 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.122 -7.967 0.808 1.00 0.00 C ATOM 0 H TRP A 87 9.697 -9.733 -4.424 1.00 0.00 H new ATOM 0 HA TRP A 87 10.548 -7.707 -2.793 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.376 -10.629 -2.930 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.825 -9.574 -1.605 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.322 -12.067 -2.328 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.173 -11.796 -0.911 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.100 -7.288 -0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.009 -9.787 0.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.417 -6.253 0.774 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.402 -7.490 1.456 1.00 0.00 H new ATOM 1296 N ALA A 88 12.852 -6.961 -3.250 1.00 0.00 N ATOM 1297 CA ALA A 88 14.185 -6.456 -3.555 1.00 0.00 C ATOM 1298 C ALA A 88 15.261 -7.438 -3.104 1.00 0.00 C ATOM 1299 O ALA A 88 14.961 -8.471 -2.506 1.00 0.00 O ATOM 1300 CB ALA A 88 14.398 -5.099 -2.901 1.00 0.00 C ATOM 0 H ALA A 88 12.289 -6.340 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 88 14.265 -6.342 -4.636 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.398 -4.734 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.656 -4.394 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.293 -5.195 -1.820 1.00 0.00 H new ATOM 1306 N ASN A 89 16.516 -7.109 -3.394 1.00 0.00 N ATOM 1307 CA ASN A 89 17.636 -7.964 -3.019 1.00 0.00 C ATOM 1308 C ASN A 89 17.616 -8.260 -1.522 1.00 0.00 C ATOM 1309 O ASN A 89 17.850 -7.376 -0.700 1.00 0.00 O ATOM 1310 CB ASN A 89 18.961 -7.300 -3.401 1.00 0.00 C ATOM 1311 CG ASN A 89 19.338 -7.553 -4.848 1.00 0.00 C ATOM 1312 OD1 ASN A 89 19.365 -6.631 -5.664 1.00 0.00 O ATOM 1313 ND2 ASN A 89 19.631 -8.806 -5.172 1.00 0.00 N ATOM 0 H ASN A 89 16.782 -6.257 -3.887 1.00 0.00 H new ATOM 0 HA ASN A 89 17.540 -8.906 -3.559 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.889 -6.226 -3.230 1.00 0.00 H new ATOM 0 HB3 ASN A 89 19.752 -7.674 -2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 89 19.892 -9.037 -6.131 1.00 0.00 H new ATOM 0 HD22 ASN A 89 19.595 -9.538 -4.462 1.00 0.00 H new ATOM 1320 N GLY A 90 17.335 -9.513 -1.176 1.00 0.00 N ATOM 1321 CA GLY A 90 17.291 -9.905 0.220 1.00 0.00 C ATOM 1322 C GLY A 90 15.898 -9.795 0.809 1.00 0.00 C ATOM 1323 O GLY A 90 15.589 -10.440 1.810 1.00 0.00 O ATOM 0 H GLY A 90 17.137 -10.263 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.643 -10.932 0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.975 -9.278 0.792 1.00 0.00 H new ATOM 1327 N GLU A 91 15.057 -8.975 0.186 1.00 0.00 N ATOM 1328 CA GLU A 91 13.691 -8.782 0.657 1.00 0.00 C ATOM 1329 C GLU A 91 12.867 -10.053 0.473 1.00 0.00 C ATOM 1330 O GLU A 91 13.148 -10.886 -0.390 1.00 0.00 O ATOM 1331 CB GLU A 91 13.030 -7.620 -0.088 1.00 0.00 C ATOM 1332 CG GLU A 91 13.581 -6.258 0.297 1.00 0.00 C ATOM 1333 CD GLU A 91 13.915 -6.160 1.773 1.00 0.00 C ATOM 1334 OE1 GLU A 91 12.977 -6.012 2.585 1.00 0.00 O ATOM 1335 OE2 GLU A 91 15.113 -6.231 2.117 1.00 0.00 O ATOM 0 H GLU A 91 15.298 -8.435 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 91 13.731 -8.546 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.161 -7.766 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.958 -7.637 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.477 -6.054 -0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.851 -5.490 0.042 1.00 0.00 H new ATOM 1342 N PRO A 92 11.824 -10.208 1.303 1.00 0.00 N ATOM 1343 CA PRO A 92 11.480 -9.224 2.333 1.00 0.00 C ATOM 1344 C PRO A 92 12.502 -9.189 3.465 1.00 0.00 C ATOM 1345 O PRO A 92 13.172 -10.184 3.740 1.00 0.00 O ATOM 1346 CB PRO A 92 10.125 -9.712 2.851 1.00 0.00 C ATOM 1347 CG PRO A 92 10.115 -11.174 2.568 1.00 0.00 C ATOM 1348 CD PRO A 92 10.902 -11.355 1.299 1.00 0.00 C ATOM 0 HA PRO A 92 11.460 -8.209 1.937 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.014 -9.515 3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.302 -9.205 2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.564 -11.734 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.096 -11.542 2.451 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.440 -12.303 1.292 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.256 -11.348 0.421 1.00 0.00 H new ATOM 1356 N SER A 93 12.615 -8.037 4.118 1.00 0.00 N ATOM 1357 CA SER A 93 13.558 -7.871 5.218 1.00 0.00 C ATOM 1358 C SER A 93 12.930 -8.301 6.541 1.00 0.00 C ATOM 1359 O SER A 93 11.813 -7.903 6.868 1.00 0.00 O ATOM 1360 CB SER A 93 14.019 -6.415 5.309 1.00 0.00 C ATOM 1361 OG SER A 93 15.205 -6.209 4.562 1.00 0.00 O ATOM 0 H SER A 93 12.065 -7.205 3.905 1.00 0.00 H new ATOM 0 HA SER A 93 14.422 -8.506 5.022 1.00 0.00 H new ATOM 0 HB2 SER A 93 13.233 -5.757 4.938 1.00 0.00 H new ATOM 0 HB3 SER A 93 14.191 -6.149 6.352 1.00 0.00 H new ATOM 0 HG SER A 93 15.207 -6.802 3.782 1.00 0.00 H new ATOM 1367 N ASN A 94 13.658 -9.117 7.297 1.00 0.00 N ATOM 1368 CA ASN A 94 13.173 -9.602 8.584 1.00 0.00 C ATOM 1369 C ASN A 94 13.513 -8.618 9.699 1.00 0.00 C ATOM 1370 O ASN A 94 14.018 -9.007 10.752 1.00 0.00 O ATOM 1371 CB ASN A 94 13.777 -10.972 8.896 1.00 0.00 C ATOM 1372 CG ASN A 94 12.870 -11.819 9.768 1.00 0.00 C ATOM 1373 OD1 ASN A 94 11.776 -11.394 10.142 1.00 0.00 O ATOM 1374 ND2 ASN A 94 13.321 -13.024 10.096 1.00 0.00 N ATOM 0 H ASN A 94 14.585 -9.456 7.041 1.00 0.00 H new ATOM 0 HA ASN A 94 12.089 -9.695 8.524 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.976 -11.499 7.963 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.736 -10.838 9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 94 12.755 -13.639 10.680 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.234 -13.335 9.763 1.00 0.00 H new ATOM 1381 N ASP A 95 13.232 -7.342 9.460 1.00 0.00 N ATOM 1382 CA ASP A 95 13.506 -6.301 10.445 1.00 0.00 C ATOM 1383 C ASP A 95 12.252 -5.969 11.248 1.00 0.00 C ATOM 1384 O ASP A 95 11.149 -5.871 10.711 1.00 0.00 O ATOM 1385 CB ASP A 95 14.032 -5.042 9.754 1.00 0.00 C ATOM 1386 CG ASP A 95 15.452 -5.208 9.251 1.00 0.00 C ATOM 1387 OD1 ASP A 95 15.729 -6.225 8.580 1.00 0.00 O ATOM 1388 OD2 ASP A 95 16.287 -4.322 9.527 1.00 0.00 O ATOM 0 H ASP A 95 12.815 -7.003 8.593 1.00 0.00 H new ATOM 0 HA ASP A 95 14.266 -6.675 11.131 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.380 -4.791 8.917 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.992 -4.205 10.451 1.00 0.00 H new ATOM 1393 N PRO A 96 12.423 -5.794 12.567 1.00 0.00 N ATOM 1394 CA PRO A 96 11.316 -5.471 13.472 1.00 0.00 C ATOM 1395 C PRO A 96 10.782 -4.060 13.255 1.00 0.00 C ATOM 1396 O PRO A 96 9.602 -3.789 13.483 1.00 0.00 O ATOM 1397 CB PRO A 96 11.947 -5.596 14.862 1.00 0.00 C ATOM 1398 CG PRO A 96 13.400 -5.350 14.641 1.00 0.00 C ATOM 1399 CD PRO A 96 13.710 -5.896 13.275 1.00 0.00 C ATOM 0 HA PRO A 96 10.459 -6.126 13.317 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.523 -4.870 15.556 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.773 -6.584 15.289 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.628 -4.286 14.697 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.000 -5.845 15.404 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.489 -5.317 12.778 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.061 -6.927 13.324 1.00 0.00 H new ATOM 1407 N THR A 97 11.656 -3.162 12.811 1.00 0.00 N ATOM 1408 CA THR A 97 11.272 -1.778 12.563 1.00 0.00 C ATOM 1409 C THR A 97 10.475 -1.653 11.270 1.00 0.00 C ATOM 1410 O THR A 97 9.418 -1.022 11.241 1.00 0.00 O ATOM 1411 CB THR A 97 12.505 -0.859 12.484 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.437 -1.370 11.525 1.00 0.00 O ATOM 1413 CG2 THR A 97 13.180 -0.741 13.842 1.00 0.00 C ATOM 0 H THR A 97 12.636 -3.369 12.616 1.00 0.00 H new ATOM 0 HA THR A 97 10.650 -1.467 13.402 1.00 0.00 H new ATOM 0 HB THR A 97 12.173 0.132 12.174 1.00 0.00 H new ATOM 0 HG1 THR A 97 14.217 -0.779 11.480 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.048 -0.087 13.761 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.477 -0.323 14.563 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.499 -1.728 14.177 1.00 0.00 H new ATOM 1421 N ARG A 98 10.987 -2.256 10.203 1.00 0.00 N ATOM 1422 CA ARG A 98 10.322 -2.211 8.907 1.00 0.00 C ATOM 1423 C ARG A 98 9.265 -3.306 8.799 1.00 0.00 C ATOM 1424 O ARG A 98 9.583 -4.494 8.829 1.00 0.00 O ATOM 1425 CB ARG A 98 11.345 -2.363 7.779 1.00 0.00 C ATOM 1426 CG ARG A 98 12.591 -1.514 7.969 1.00 0.00 C ATOM 1427 CD ARG A 98 13.734 -1.998 7.090 1.00 0.00 C ATOM 1428 NE ARG A 98 13.662 -1.440 5.743 1.00 0.00 N ATOM 1429 CZ ARG A 98 14.708 -1.346 4.929 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.900 -1.771 5.325 1.00 0.00 N ATOM 1431 NH2 ARG A 98 14.563 -0.826 3.717 1.00 0.00 N ATOM 0 H ARG A 98 11.861 -2.782 10.210 1.00 0.00 H new ATOM 0 HA ARG A 98 9.829 -1.243 8.814 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.637 -3.410 7.704 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.873 -2.095 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.364 -0.474 7.733 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.897 -1.544 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.684 -1.722 7.547 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.712 -3.086 7.033 1.00 0.00 H new ATOM 0 HE ARG A 98 12.759 -1.104 5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.015 -2.171 6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.702 -1.698 4.698 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.648 -0.498 3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.367 -0.754 3.093 1.00 0.00 H new ATOM 1445 N GLN A 99 8.006 -2.896 8.675 1.00 0.00 N ATOM 1446 CA GLN A 99 6.903 -3.842 8.565 1.00 0.00 C ATOM 1447 C GLN A 99 6.129 -3.627 7.268 1.00 0.00 C ATOM 1448 O GLN A 99 5.722 -4.585 6.610 1.00 0.00 O ATOM 1449 CB GLN A 99 5.962 -3.702 9.763 1.00 0.00 C ATOM 1450 CG GLN A 99 6.685 -3.565 11.092 1.00 0.00 C ATOM 1451 CD GLN A 99 5.881 -4.113 12.254 1.00 0.00 C ATOM 1452 OE1 GLN A 99 4.876 -3.527 12.660 1.00 0.00 O ATOM 1453 NE2 GLN A 99 6.318 -5.243 12.797 1.00 0.00 N ATOM 0 H GLN A 99 7.726 -1.916 8.648 1.00 0.00 H new ATOM 0 HA GLN A 99 7.320 -4.849 8.555 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.325 -2.830 9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.307 -4.572 9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.640 -4.088 11.037 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.908 -2.513 11.273 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.155 -5.695 12.429 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.817 -5.659 13.582 1.00 0.00 H new ATOM 1462 N CYS A 100 5.929 -2.365 6.906 1.00 0.00 N ATOM 1463 CA CYS A 100 5.204 -2.023 5.688 1.00 0.00 C ATOM 1464 C CYS A 100 6.135 -2.035 4.479 1.00 0.00 C ATOM 1465 O CYS A 100 7.351 -1.900 4.617 1.00 0.00 O ATOM 1466 CB CYS A 100 4.549 -0.648 5.828 1.00 0.00 C ATOM 1467 SG CYS A 100 3.340 -0.535 7.186 1.00 0.00 S ATOM 0 H CYS A 100 6.259 -1.561 7.439 1.00 0.00 H new ATOM 0 HA CYS A 100 4.428 -2.773 5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.327 0.099 5.986 1.00 0.00 H new ATOM 0 HB3 CYS A 100 4.051 -0.397 4.891 1.00 0.00 H new ATOM 1472 N VAL A 101 5.555 -2.197 3.294 1.00 0.00 N ATOM 1473 CA VAL A 101 6.332 -2.224 2.060 1.00 0.00 C ATOM 1474 C VAL A 101 5.949 -1.068 1.144 1.00 0.00 C ATOM 1475 O VAL A 101 4.793 -0.647 1.108 1.00 0.00 O ATOM 1476 CB VAL A 101 6.135 -3.551 1.303 1.00 0.00 C ATOM 1477 CG1 VAL A 101 7.030 -3.603 0.074 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.409 -4.733 2.221 1.00 0.00 C ATOM 0 H VAL A 101 4.550 -2.312 3.162 1.00 0.00 H new ATOM 0 HA VAL A 101 7.380 -2.127 2.343 1.00 0.00 H new ATOM 0 HB VAL A 101 5.098 -3.609 0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.877 -4.548 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.782 -2.776 -0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 101 8.073 -3.522 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.265 -5.663 1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.435 -4.681 2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.723 -4.703 3.067 1.00 0.00 H new ATOM 1488 N TYR A 102 6.928 -0.558 0.404 1.00 0.00 N ATOM 1489 CA TYR A 102 6.694 0.552 -0.512 1.00 0.00 C ATOM 1490 C TYR A 102 7.409 0.322 -1.840 1.00 0.00 C ATOM 1491 O TYR A 102 8.513 -0.222 -1.878 1.00 0.00 O ATOM 1492 CB TYR A 102 7.167 1.865 0.114 1.00 0.00 C ATOM 1493 CG TYR A 102 8.663 2.070 0.035 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.265 2.488 -1.145 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.474 1.843 1.140 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.632 2.675 -1.222 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.842 2.030 1.072 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.416 2.445 -0.111 1.00 0.00 C ATOM 1499 OH TYR A 102 12.777 2.630 -0.183 1.00 0.00 O ATOM 0 H TYR A 102 7.890 -0.896 0.421 1.00 0.00 H new ATOM 0 HA TYR A 102 5.623 0.613 -0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.668 2.696 -0.385 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.860 1.890 1.160 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.654 2.670 -2.017 1.00 0.00 H new ATOM 0 HD2 TYR A 102 9.028 1.515 2.067 1.00 0.00 H new ATOM 0 HE1 TYR A 102 11.084 3.000 -2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.458 1.852 1.941 1.00 0.00 H new ATOM 0 HH TYR A 102 13.181 2.426 0.686 1.00 0.00 H new ATOM 1509 N PHE A 103 6.771 0.741 -2.928 1.00 0.00 N ATOM 1510 CA PHE A 103 7.345 0.581 -4.259 1.00 0.00 C ATOM 1511 C PHE A 103 8.528 1.524 -4.458 1.00 0.00 C ATOM 1512 O PHE A 103 8.418 2.731 -4.239 1.00 0.00 O ATOM 1513 CB PHE A 103 6.283 0.844 -5.329 1.00 0.00 C ATOM 1514 CG PHE A 103 6.686 0.379 -6.700 1.00 0.00 C ATOM 1515 CD1 PHE A 103 7.769 0.949 -7.349 1.00 0.00 C ATOM 1516 CD2 PHE A 103 5.981 -0.629 -7.339 1.00 0.00 C ATOM 1517 CE1 PHE A 103 8.142 0.523 -8.610 1.00 0.00 C ATOM 1518 CE2 PHE A 103 6.349 -1.059 -8.599 1.00 0.00 C ATOM 1519 CZ PHE A 103 7.431 -0.482 -9.236 1.00 0.00 C ATOM 0 H PHE A 103 5.857 1.194 -2.914 1.00 0.00 H new ATOM 0 HA PHE A 103 7.701 -0.445 -4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.358 0.344 -5.042 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.071 1.913 -5.364 1.00 0.00 H new ATOM 0 HD1 PHE A 103 8.328 1.735 -6.864 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.134 -1.083 -6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.988 0.976 -9.105 1.00 0.00 H new ATOM 0 HE2 PHE A 103 5.792 -1.846 -9.086 1.00 0.00 H new ATOM 0 HZ PHE A 103 7.720 -0.816 -10.221 1.00 0.00 H new ATOM 1529 N ASP A 104 9.658 0.965 -4.875 1.00 0.00 N ATOM 1530 CA ASP A 104 10.863 1.754 -5.105 1.00 0.00 C ATOM 1531 C ASP A 104 10.981 2.150 -6.573 1.00 0.00 C ATOM 1532 O ASP A 104 11.525 1.404 -7.386 1.00 0.00 O ATOM 1533 CB ASP A 104 12.103 0.969 -4.674 1.00 0.00 C ATOM 1534 CG ASP A 104 13.315 1.859 -4.486 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.459 2.836 -5.252 1.00 0.00 O ATOM 1536 OD2 ASP A 104 14.120 1.581 -3.573 1.00 0.00 O ATOM 0 H ASP A 104 9.765 -0.032 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 104 10.792 2.662 -4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.892 0.446 -3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.327 0.209 -5.423 1.00 0.00 H new ATOM 1541 N GLY A 105 10.467 3.330 -6.906 1.00 0.00 N ATOM 1542 CA GLY A 105 10.524 3.804 -8.277 1.00 0.00 C ATOM 1543 C GLY A 105 11.946 3.966 -8.775 1.00 0.00 C ATOM 1544 O GLY A 105 12.265 3.576 -9.899 1.00 0.00 O ATOM 0 H GLY A 105 10.012 3.966 -6.251 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.994 3.104 -8.923 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.006 4.760 -8.350 1.00 0.00 H new ATOM 1602 N LYS A 110 13.100 -3.239 -12.002 1.00 0.00 N ATOM 1603 CA LYS A 110 11.659 -3.270 -11.778 1.00 0.00 C ATOM 1604 C LYS A 110 11.249 -4.546 -11.050 1.00 0.00 C ATOM 1605 O LYS A 110 10.116 -4.671 -10.586 1.00 0.00 O ATOM 1606 CB LYS A 110 10.913 -3.169 -13.111 1.00 0.00 C ATOM 1607 CG LYS A 110 11.304 -4.243 -14.110 1.00 0.00 C ATOM 1608 CD LYS A 110 10.198 -4.494 -15.121 1.00 0.00 C ATOM 1609 CE LYS A 110 9.223 -5.553 -14.630 1.00 0.00 C ATOM 1610 NZ LYS A 110 8.500 -6.206 -15.756 1.00 0.00 N ATOM 0 HA LYS A 110 11.395 -2.416 -11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.841 -3.232 -12.923 1.00 0.00 H new ATOM 0 HB3 LYS A 110 11.103 -2.190 -13.550 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.213 -3.943 -14.631 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.531 -5.168 -13.581 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.661 -3.565 -15.313 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.635 -4.811 -16.068 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.764 -6.308 -14.059 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.502 -5.096 -13.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.763 -6.834 -15.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.060 -5.478 -16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.171 -6.762 -16.323 1.00 0.00 H new ATOM 1624 N SER A 111 12.179 -5.491 -10.952 1.00 0.00 N ATOM 1625 CA SER A 111 11.913 -6.759 -10.281 1.00 0.00 C ATOM 1626 C SER A 111 12.373 -6.711 -8.827 1.00 0.00 C ATOM 1627 O SER A 111 12.171 -7.660 -8.069 1.00 0.00 O ATOM 1628 CB SER A 111 12.615 -7.904 -11.013 1.00 0.00 C ATOM 1629 OG SER A 111 11.921 -9.126 -10.833 1.00 0.00 O ATOM 0 H SER A 111 13.123 -5.403 -11.328 1.00 0.00 H new ATOM 0 HA SER A 111 10.837 -6.932 -10.298 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.682 -7.673 -12.076 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.636 -8.004 -10.644 1.00 0.00 H new ATOM 0 HG SER A 111 12.389 -9.842 -11.312 1.00 0.00 H new ATOM 1635 N LYS A 112 12.992 -5.600 -8.445 1.00 0.00 N ATOM 1636 CA LYS A 112 13.481 -5.425 -7.083 1.00 0.00 C ATOM 1637 C LYS A 112 13.015 -4.093 -6.504 1.00 0.00 C ATOM 1638 O LYS A 112 13.720 -3.468 -5.712 1.00 0.00 O ATOM 1639 CB LYS A 112 15.009 -5.499 -7.054 1.00 0.00 C ATOM 1640 CG LYS A 112 15.564 -6.819 -7.560 1.00 0.00 C ATOM 1641 CD LYS A 112 15.263 -7.956 -6.597 1.00 0.00 C ATOM 1642 CE LYS A 112 15.999 -9.228 -6.989 1.00 0.00 C ATOM 1643 NZ LYS A 112 16.034 -10.215 -5.875 1.00 0.00 N ATOM 0 H LYS A 112 13.167 -4.806 -9.061 1.00 0.00 H new ATOM 0 HA LYS A 112 13.073 -6.230 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.415 -4.688 -7.659 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.353 -5.338 -6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.135 -7.045 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 112 16.642 -6.733 -7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 112 15.551 -7.664 -5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 112 14.190 -8.146 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.513 -9.676 -7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.018 -8.981 -7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 16.843 -10.855 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 16.131 -9.713 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 15.153 -10.767 -5.872 1.00 0.00 H new ATOM 1657 N VAL A 113 11.822 -3.664 -6.904 1.00 0.00 N ATOM 1658 CA VAL A 113 11.261 -2.407 -6.423 1.00 0.00 C ATOM 1659 C VAL A 113 10.692 -2.561 -5.017 1.00 0.00 C ATOM 1660 O VAL A 113 10.695 -1.616 -4.228 1.00 0.00 O ATOM 1661 CB VAL A 113 10.152 -1.893 -7.360 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.740 -1.452 -8.692 1.00 0.00 C ATOM 1663 CG2 VAL A 113 9.089 -2.961 -7.564 1.00 0.00 C ATOM 0 H VAL A 113 11.226 -4.168 -7.560 1.00 0.00 H new ATOM 0 HA VAL A 113 12.076 -1.683 -6.405 1.00 0.00 H new ATOM 0 HB VAL A 113 9.680 -1.028 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.942 -1.092 -9.341 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.460 -0.651 -8.524 1.00 0.00 H new ATOM 0 HG13 VAL A 113 11.240 -2.296 -9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 113 8.314 -2.580 -8.229 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.544 -3.847 -8.007 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.647 -3.222 -6.603 1.00 0.00 H new ATOM 1673 N TRP A 114 10.205 -3.758 -4.711 1.00 0.00 N ATOM 1674 CA TRP A 114 9.632 -4.037 -3.398 1.00 0.00 C ATOM 1675 C TRP A 114 10.664 -3.820 -2.297 1.00 0.00 C ATOM 1676 O TRP A 114 11.703 -4.481 -2.266 1.00 0.00 O ATOM 1677 CB TRP A 114 9.104 -5.472 -3.344 1.00 0.00 C ATOM 1678 CG TRP A 114 7.808 -5.656 -4.073 1.00 0.00 C ATOM 1679 CD1 TRP A 114 7.164 -4.732 -4.846 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.998 -6.836 -4.097 1.00 0.00 C ATOM 1681 NE1 TRP A 114 6.002 -5.266 -5.348 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.878 -6.556 -4.904 1.00 0.00 C ATOM 1683 CE3 TRP A 114 7.110 -8.102 -3.516 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.879 -7.496 -5.142 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 6.118 -9.034 -3.753 1.00 0.00 C ATOM 1686 CH2 TRP A 114 5.015 -8.728 -4.561 1.00 0.00 C ATOM 0 H TRP A 114 10.195 -4.551 -5.353 1.00 0.00 H new ATOM 0 HA TRP A 114 8.804 -3.346 -3.236 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.850 -6.142 -3.770 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.971 -5.764 -2.302 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.517 -3.729 -5.035 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.339 -4.781 -5.953 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.957 -8.348 -2.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.027 -7.262 -5.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 6.194 -10.015 -3.308 1.00 0.00 H new ATOM 0 HH2 TRP A 114 4.257 -9.479 -4.729 1.00 0.00 H new ATOM 1697 N THR A 115 10.372 -2.889 -1.393 1.00 0.00 N ATOM 1698 CA THR A 115 11.275 -2.585 -0.291 1.00 0.00 C ATOM 1699 C THR A 115 10.500 -2.275 0.985 1.00 0.00 C ATOM 1700 O THR A 115 9.569 -1.470 0.979 1.00 0.00 O ATOM 1701 CB THR A 115 12.188 -1.390 -0.626 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.874 -1.629 -1.860 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.200 -1.154 0.485 1.00 0.00 C ATOM 0 H THR A 115 9.517 -2.333 -1.403 1.00 0.00 H new ATOM 0 HA THR A 115 11.891 -3.471 -0.133 1.00 0.00 H new ATOM 0 HB THR A 115 11.565 -0.501 -0.723 1.00 0.00 H new ATOM 0 HG1 THR A 115 12.231 -1.615 -2.600 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.833 -0.306 0.226 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.675 -0.944 1.417 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.818 -2.043 0.609 1.00 0.00 H new ATOM 1711 N THR A 116 10.891 -2.920 2.080 1.00 0.00 N ATOM 1712 CA THR A 116 10.232 -2.714 3.364 1.00 0.00 C ATOM 1713 C THR A 116 10.713 -1.429 4.029 1.00 0.00 C ATOM 1714 O THR A 116 11.830 -0.972 3.782 1.00 0.00 O ATOM 1715 CB THR A 116 10.481 -3.897 4.319 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.880 -4.015 4.599 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.968 -5.196 3.716 1.00 0.00 C ATOM 0 H THR A 116 11.660 -3.589 2.103 1.00 0.00 H new ATOM 0 HA THR A 116 9.164 -2.638 3.162 1.00 0.00 H new ATOM 0 HB THR A 116 9.941 -3.707 5.246 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.012 -4.124 5.564 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.155 -6.017 4.408 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.897 -5.113 3.531 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.484 -5.389 2.776 1.00 0.00 H new ATOM 1725 N ASP A 117 9.865 -0.852 4.872 1.00 0.00 N ATOM 1726 CA ASP A 117 10.205 0.380 5.574 1.00 0.00 C ATOM 1727 C ASP A 117 9.216 0.652 6.703 1.00 0.00 C ATOM 1728 O ASP A 117 8.116 0.100 6.727 1.00 0.00 O ATOM 1729 CB ASP A 117 10.222 1.559 4.600 1.00 0.00 C ATOM 1730 CG ASP A 117 11.147 2.672 5.054 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.376 2.526 4.891 1.00 0.00 O ATOM 1732 OD2 ASP A 117 10.640 3.689 5.572 1.00 0.00 O ATOM 0 H ASP A 117 8.937 -1.217 5.086 1.00 0.00 H new ATOM 0 HA ASP A 117 11.199 0.261 6.006 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.535 1.209 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.211 1.952 4.492 1.00 0.00 H new ATOM 1737 N THR A 118 9.616 1.506 7.641 1.00 0.00 N ATOM 1738 CA THR A 118 8.767 1.850 8.774 1.00 0.00 C ATOM 1739 C THR A 118 7.444 2.448 8.309 1.00 0.00 C ATOM 1740 O THR A 118 7.396 3.184 7.323 1.00 0.00 O ATOM 1741 CB THR A 118 9.465 2.849 9.716 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.666 3.060 10.886 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.706 4.177 9.015 1.00 0.00 C ATOM 0 H THR A 118 10.523 1.972 7.638 1.00 0.00 H new ATOM 0 HA THR A 118 8.574 0.924 9.316 1.00 0.00 H new ATOM 0 HB THR A 118 10.428 2.429 10.005 1.00 0.00 H new ATOM 0 HG1 THR A 118 9.118 3.695 11.480 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.200 4.866 9.700 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.339 4.018 8.142 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.752 4.600 8.700 1.00 0.00 H new ATOM 1751 N CYS A 119 6.371 2.127 9.024 1.00 0.00 N ATOM 1752 CA CYS A 119 5.046 2.632 8.685 1.00 0.00 C ATOM 1753 C CYS A 119 4.814 4.007 9.304 1.00 0.00 C ATOM 1754 O CYS A 119 3.681 4.380 9.605 1.00 0.00 O ATOM 1755 CB CYS A 119 3.969 1.657 9.163 1.00 0.00 C ATOM 1756 SG CYS A 119 4.361 -0.095 8.854 1.00 0.00 S ATOM 0 H CYS A 119 6.393 1.519 9.843 1.00 0.00 H new ATOM 0 HA CYS A 119 4.986 2.726 7.601 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.813 1.800 10.232 1.00 0.00 H new ATOM 0 HB3 CYS A 119 3.029 1.900 8.669 1.00 0.00 H new ATOM 1761 N ALA A 120 5.896 4.756 9.490 1.00 0.00 N ATOM 1762 CA ALA A 120 5.810 6.091 10.070 1.00 0.00 C ATOM 1763 C ALA A 120 6.409 7.136 9.135 1.00 0.00 C ATOM 1764 O ALA A 120 6.205 8.337 9.316 1.00 0.00 O ATOM 1765 CB ALA A 120 6.510 6.125 11.421 1.00 0.00 C ATOM 0 H ALA A 120 6.842 4.461 9.248 1.00 0.00 H new ATOM 0 HA ALA A 120 4.756 6.331 10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.438 7.128 11.843 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.034 5.413 12.095 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.559 5.859 11.294 1.00 0.00 H new ATOM 1771 N THR A 121 7.150 6.671 8.133 1.00 0.00 N ATOM 1772 CA THR A 121 7.780 7.566 7.170 1.00 0.00 C ATOM 1773 C THR A 121 6.756 8.132 6.194 1.00 0.00 C ATOM 1774 O THR A 121 5.997 7.400 5.558 1.00 0.00 O ATOM 1775 CB THR A 121 8.887 6.846 6.376 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.966 6.493 7.249 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.406 7.728 5.251 1.00 0.00 C ATOM 0 H THR A 121 7.328 5.680 7.968 1.00 0.00 H new ATOM 0 HA THR A 121 8.224 8.382 7.740 1.00 0.00 H new ATOM 0 HB THR A 121 8.462 5.941 5.941 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.664 6.034 6.737 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.187 7.199 4.704 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.588 7.971 4.572 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.816 8.648 5.669 1.00 0.00 H new ATOM 1785 N PRO A 122 6.732 9.467 6.068 1.00 0.00 N ATOM 1786 CA PRO A 122 5.805 10.161 5.169 1.00 0.00 C ATOM 1787 C PRO A 122 6.142 9.931 3.700 1.00 0.00 C ATOM 1788 O PRO A 122 7.148 10.433 3.198 1.00 0.00 O ATOM 1789 CB PRO A 122 5.992 11.635 5.536 1.00 0.00 C ATOM 1790 CG PRO A 122 7.369 11.714 6.099 1.00 0.00 C ATOM 1791 CD PRO A 122 7.608 10.402 6.794 1.00 0.00 C ATOM 0 HA PRO A 122 4.781 9.805 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.884 12.277 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.248 11.959 6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 122 8.104 11.878 5.311 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.458 12.547 6.796 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.654 10.101 6.735 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.351 10.455 7.852 1.00 0.00 H new ATOM 1799 N ARG A 123 5.294 9.171 3.015 1.00 0.00 N ATOM 1800 CA ARG A 123 5.503 8.874 1.603 1.00 0.00 C ATOM 1801 C ARG A 123 4.181 8.902 0.840 1.00 0.00 C ATOM 1802 O ARG A 123 3.106 8.704 1.406 1.00 0.00 O ATOM 1803 CB ARG A 123 6.169 7.507 1.440 1.00 0.00 C ATOM 1804 CG ARG A 123 7.685 7.553 1.534 1.00 0.00 C ATOM 1805 CD ARG A 123 8.316 6.291 0.967 1.00 0.00 C ATOM 1806 NE ARG A 123 9.656 6.062 1.502 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.705 6.821 1.206 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.570 7.854 0.385 1.00 0.00 N ATOM 1809 NH2 ARG A 123 11.892 6.549 1.733 1.00 0.00 N ATOM 0 H ARG A 123 4.456 8.750 3.415 1.00 0.00 H new ATOM 0 HA ARG A 123 6.158 9.641 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.786 6.832 2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.886 7.087 0.475 1.00 0.00 H new ATOM 0 HG2 ARG A 123 8.058 8.423 0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 123 7.983 7.674 2.576 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.683 5.434 1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.367 6.368 -0.119 1.00 0.00 H new ATOM 0 HE ARG A 123 9.794 5.276 2.138 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.659 8.067 -0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.377 8.435 0.160 1.00 0.00 H new ATOM 0 HH21 ARG A 123 11.999 5.756 2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.697 7.132 1.505 1.00 0.00 H new ATOM 1823 N PRO A 124 4.262 9.156 -0.474 1.00 0.00 N ATOM 1824 CA PRO A 124 3.082 9.216 -1.342 1.00 0.00 C ATOM 1825 C PRO A 124 2.441 7.848 -1.546 1.00 0.00 C ATOM 1826 O PRO A 124 3.092 6.816 -1.379 1.00 0.00 O ATOM 1827 CB PRO A 124 3.642 9.747 -2.665 1.00 0.00 C ATOM 1828 CG PRO A 124 5.078 9.352 -2.654 1.00 0.00 C ATOM 1829 CD PRO A 124 5.510 9.403 -1.215 1.00 0.00 C ATOM 0 HA PRO A 124 2.294 9.837 -0.916 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.119 9.315 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.529 10.829 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.211 8.352 -3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.674 10.030 -3.265 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.264 8.647 -0.995 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.944 10.370 -0.960 1.00 0.00 H new ATOM 1837 N PHE A 125 1.163 7.846 -1.908 1.00 0.00 N ATOM 1838 CA PHE A 125 0.434 6.603 -2.134 1.00 0.00 C ATOM 1839 C PHE A 125 -0.486 6.725 -3.346 1.00 0.00 C ATOM 1840 O PHE A 125 -0.489 7.744 -4.036 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.383 6.234 -0.894 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.195 7.374 -0.350 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.574 8.482 0.204 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.580 7.339 -0.392 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.318 9.532 0.706 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.330 8.387 0.108 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.698 9.485 0.657 1.00 0.00 C ATOM 0 H PHE A 125 0.610 8.691 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 125 1.161 5.815 -2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.050 5.408 -1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.292 5.876 -0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.504 8.525 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.079 6.483 -0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.821 10.389 1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.409 8.347 0.069 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.281 10.306 1.047 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.264 5.678 -3.597 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.188 5.667 -4.725 1.00 0.00 C ATOM 1859 C ILE A 126 -3.504 4.994 -4.350 1.00 0.00 C ATOM 1860 O ILE A 126 -3.516 3.944 -3.706 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.583 4.943 -5.942 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.316 5.661 -6.412 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.601 4.861 -7.069 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.342 5.007 -7.607 1.00 0.00 C ATOM 0 H ILE A 126 -1.273 4.827 -3.035 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.376 6.708 -4.989 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.315 3.929 -5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.565 6.692 -6.664 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.398 5.697 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.159 4.347 -7.922 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.478 4.310 -6.728 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.897 5.867 -7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.233 5.569 -7.885 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.622 3.985 -7.354 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.355 4.995 -8.445 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.611 5.604 -4.759 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.934 5.064 -4.469 1.00 0.00 C ATOM 1878 C CYS A 127 -6.522 4.374 -5.696 1.00 0.00 C ATOM 1879 O CYS A 127 -6.414 4.877 -6.814 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.871 6.179 -4.000 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.280 7.078 -2.530 1.00 0.00 S ATOM 0 H CYS A 127 -4.618 6.473 -5.293 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.831 4.326 -3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -7.010 6.889 -4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.849 5.749 -3.781 1.00 0.00 H new ATOM 1886 N GLN A 128 -7.143 3.219 -5.479 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.747 2.460 -6.567 1.00 0.00 C ATOM 1888 C GLN A 128 -9.244 2.280 -6.340 1.00 0.00 C ATOM 1889 O GLN A 128 -9.751 2.523 -5.244 1.00 0.00 O ATOM 1890 CB GLN A 128 -7.072 1.094 -6.701 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.656 0.233 -7.808 1.00 0.00 C ATOM 1892 CD GLN A 128 -6.792 -0.972 -8.128 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -6.040 -0.970 -9.103 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -6.896 -2.009 -7.306 1.00 0.00 N ATOM 0 H GLN A 128 -7.241 2.789 -4.559 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.603 3.021 -7.491 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -6.008 1.241 -6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -7.158 0.561 -5.754 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.650 -0.105 -7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.778 0.837 -8.707 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -7.532 -1.967 -6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -6.340 -2.848 -7.470 1.00 0.00 H new