USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 863 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 97 CYS SG : rot -157:sc= -2.01 USER MOD Set 1.2: A 102 CYS SG : rot 166:sc= 0.87 USER MOD Set 1.3: A 104 LYS NZ :NH3+ -147:sc= 1.44 (180deg=0) USER MOD Set 1.4: A 115 HIS : no HE2:sc= -1.17 K(o=-2.2,f=-7.5) USER MOD Set 1.5: A 116 HIS : no HE2:sc= -0.359 K(o=-2.2,f=-7.9!) USER MOD Set 1.6: A 119 HIS : no HE2:sc= -0.956 K(o=-2.2,f=-6.2) USER MOD Set 2.1: A 96 SER OG : rot -71:sc= 0.672 USER MOD Set 2.2: A 105 LYS NZ :NH3+ 159:sc= 0.804 (180deg=0.118) USER MOD Set 3.1: A 68 GLN : amide:sc= 1.54 K(o=4,f=-5.3!) USER MOD Set 3.2: A 73 GLN : amide:sc= 1.23 K(o=4,f=1.6) USER MOD Set 3.3: A 75 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0.477) USER MOD Set 4.1: A 69 CYS SG : rot 110:sc= 3.22 USER MOD Set 4.2: A 70 LYS NZ :NH3+ 170:sc= 0.934 (180deg=-0.00849) USER MOD Set 4.3: A 71 THR OG1 : rot 69:sc= 0.567 USER MOD Set 4.4: A 72 CYS SG : rot -100:sc= -0.356 USER MOD Set 4.5: A 85 HIS : no HD1:sc= -0.591 K(o=5.3,f=2.7) USER MOD Set 4.6: A 86 THR OG1 : rot 55:sc= 1.3 USER MOD Set 4.7: A 89 HIS : no HE2:sc= 0.206 K(o=5.3,f=3.7) USER MOD Set 5.1: A 58 GLN : amide:sc= -0.0352 K(o=0.79,f=-10!) USER MOD Set 5.2: A 62 THR OG1 : rot -143:sc= 0.824 USER MOD Set 6.1: A 39 CYS SG : rot -90:sc= -1.49 USER MOD Set 6.2: A 57 HIS : no HE2:sc= -4.6 K(o=-9,f=-6.3) USER MOD Set 6.3: A 61 HIS : no HD1:sc= -2.91 K(o=-9,f=-12!) USER MOD Set 7.1: A 49 SER OG : rot 180:sc= 0.103 USER MOD Set 7.2: A 53 GLN : amide:sc= 0.858 K(o=0.96,f=-6.4!) USER MOD Set 8.1: A 9 CYS SG : rot -80:sc= 0.237 USER MOD Set 8.2: A 14 CYS SG : rot 130:sc= 0.85 USER MOD Set 8.3: A 16 LYS NZ :NH3+ 165:sc= 1.48 (180deg=-0.0384) USER MOD Set 8.4: A 18 TYR OH : rot 180:sc= -0.411 USER MOD Set 8.5: A 27 HIS : no HD1:sc= -0.241 K(o=0.77,f=-2.4) USER MOD Set 8.6: A 31 HIS : no HD1:sc= -1.14 K(o=0.77,f=-2.4) USER MOD Single : A 8 MET CE :methyl -167:sc= 0 (180deg=-0.199) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 1.24 K(o=1.2,f=-0.071) USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0178) USER MOD Single : A 22 SER OG : rot 180:sc= 0.00341 USER MOD Single : A 23 HIS : no HE2:sc= -2.42 K(o=-2.4,f=-8.6!) USER MOD Single : A 25 GLN : amide:sc= 0.25 X(o=0.25,f=-0.046) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 80:sc= 1.23 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -68:sc= 1.14 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 1.43 K(o=1.4,f=-2.9!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -174:sc=-0.000193 (180deg=-0.0583) USER MOD Single : A 77 SER OG : rot -68:sc= 0.982 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00378 USER MOD Single : A 81 HIS : no HD1:sc= -0.549 X(o=-0.55,f=-0.84) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 81:sc= 1.28 USER MOD Single : A 88 THR OG1 : rot 93:sc= 1.25 USER MOD Single : A 90 THR OG1 : rot 153:sc= -0.448! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -3:sc= 1.05 USER MOD Single : A 103 GLN : amide:sc= 0.985 K(o=0.99,f=-0.18) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00257 USER MOD Single : A 117 ASN : amide:sc= 0.991 K(o=0.99,f=-0.058) USER MOD Single : A 118 MET CE :methyl 176:sc= 0 (180deg=-0.0248) USER MOD ----------------------------------------------------------------- ATOM 97 N PHE A 7 10.744 17.712 -8.891 1.00 0.00 N ATOM 98 CA PHE A 7 10.262 16.838 -7.818 1.00 0.00 C ATOM 99 C PHE A 7 10.988 15.487 -7.884 1.00 0.00 C ATOM 100 O PHE A 7 10.581 14.610 -8.616 1.00 0.00 O ATOM 101 CB PHE A 7 8.740 16.612 -7.967 1.00 0.00 C ATOM 102 CG PHE A 7 7.797 17.801 -7.923 1.00 0.00 C ATOM 103 CD1 PHE A 7 7.205 18.184 -6.704 1.00 0.00 C ATOM 104 CD2 PHE A 7 7.397 18.436 -9.117 1.00 0.00 C ATOM 105 CE1 PHE A 7 6.241 19.207 -6.673 1.00 0.00 C ATOM 106 CE2 PHE A 7 6.451 19.478 -9.080 1.00 0.00 C ATOM 107 CZ PHE A 7 5.883 19.871 -7.857 1.00 0.00 C ATOM 0 HA PHE A 7 10.463 17.312 -6.857 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.578 16.102 -8.917 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.434 15.924 -7.179 1.00 0.00 H new ATOM 0 HD1 PHE A 7 7.493 17.689 -5.788 1.00 0.00 H new ATOM 0 HD2 PHE A 7 7.817 18.122 -10.061 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.776 19.482 -5.738 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.162 19.976 -9.994 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.172 20.683 -7.827 1.00 0.00 H new ATOM 117 N MET A 8 12.070 15.325 -7.122 1.00 0.00 N ATOM 118 CA MET A 8 12.864 14.089 -7.211 1.00 0.00 C ATOM 119 C MET A 8 12.593 13.178 -6.032 1.00 0.00 C ATOM 120 O MET A 8 12.450 13.636 -4.898 1.00 0.00 O ATOM 121 CB MET A 8 14.367 14.414 -7.283 1.00 0.00 C ATOM 122 CG MET A 8 14.872 15.426 -6.246 1.00 0.00 C ATOM 123 SD MET A 8 16.674 15.648 -6.247 1.00 0.00 S ATOM 124 CE MET A 8 17.208 14.061 -5.543 1.00 0.00 C ATOM 0 H MET A 8 12.414 16.012 -6.451 1.00 0.00 H new ATOM 0 HA MET A 8 12.567 13.572 -8.123 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.928 13.487 -7.164 1.00 0.00 H new ATOM 0 HB3 MET A 8 14.591 14.797 -8.279 1.00 0.00 H new ATOM 0 HG2 MET A 8 14.398 16.389 -6.433 1.00 0.00 H new ATOM 0 HG3 MET A 8 14.557 15.102 -5.254 1.00 0.00 H new ATOM 0 HE1 MET A 8 18.260 14.123 -5.263 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.610 13.835 -4.660 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.075 13.272 -6.283 1.00 0.00 H new ATOM 134 N CYS A 9 12.601 11.869 -6.298 1.00 0.00 N ATOM 135 CA CYS A 9 12.533 10.871 -5.239 1.00 0.00 C ATOM 136 C CYS A 9 13.918 10.682 -4.606 1.00 0.00 C ATOM 137 O CYS A 9 14.942 10.712 -5.301 1.00 0.00 O ATOM 138 CB CYS A 9 12.034 9.538 -5.798 1.00 0.00 C ATOM 139 SG CYS A 9 11.954 8.399 -4.388 1.00 0.00 S ATOM 0 H CYS A 9 12.654 11.480 -7.240 1.00 0.00 H new ATOM 0 HA CYS A 9 11.835 11.218 -4.477 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.055 9.652 -6.263 1.00 0.00 H new ATOM 0 HB3 CYS A 9 12.709 9.160 -6.566 1.00 0.00 H new ATOM 0 HG CYS A 9 13.143 7.941 -4.132 1.00 0.00 H new ATOM 144 N ALA A 10 13.937 10.494 -3.284 1.00 0.00 N ATOM 145 CA ALA A 10 15.180 10.295 -2.542 1.00 0.00 C ATOM 146 C ALA A 10 15.019 9.190 -1.467 1.00 0.00 C ATOM 147 O ALA A 10 15.887 9.024 -0.609 1.00 0.00 O ATOM 148 CB ALA A 10 15.597 11.618 -1.881 1.00 0.00 C ATOM 0 H ALA A 10 13.098 10.476 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 10 15.953 9.973 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.524 11.472 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.749 12.376 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.814 11.946 -1.197 1.00 0.00 H new ATOM 154 N TYR A 11 13.903 8.438 -1.528 1.00 0.00 N ATOM 155 CA TYR A 11 13.651 7.348 -0.580 1.00 0.00 C ATOM 156 C TYR A 11 14.722 6.240 -0.736 1.00 0.00 C ATOM 157 O TYR A 11 14.859 5.668 -1.805 1.00 0.00 O ATOM 158 CB TYR A 11 12.252 6.755 -0.822 1.00 0.00 C ATOM 159 CG TYR A 11 11.920 5.705 0.220 1.00 0.00 C ATOM 160 CD1 TYR A 11 11.518 6.108 1.506 1.00 0.00 C ATOM 161 CD2 TYR A 11 12.189 4.347 -0.034 1.00 0.00 C ATOM 162 CE1 TYR A 11 11.496 5.177 2.560 1.00 0.00 C ATOM 163 CE2 TYR A 11 12.153 3.412 1.013 1.00 0.00 C ATOM 164 CZ TYR A 11 11.864 3.834 2.326 1.00 0.00 C ATOM 165 OH TYR A 11 11.997 2.965 3.364 1.00 0.00 O ATOM 0 H TYR A 11 13.168 8.569 -2.223 1.00 0.00 H new ATOM 0 HA TYR A 11 13.702 7.748 0.433 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.506 7.549 -0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.208 6.312 -1.817 1.00 0.00 H new ATOM 0 HD1 TYR A 11 11.226 7.132 1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.424 4.023 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 11 11.197 5.490 3.550 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.347 2.369 0.812 1.00 0.00 H new ATOM 0 HH TYR A 11 12.254 2.083 3.022 1.00 0.00 H new ATOM 175 N PRO A 12 15.504 5.949 0.338 1.00 0.00 N ATOM 176 CA PRO A 12 16.588 4.953 0.288 1.00 0.00 C ATOM 177 C PRO A 12 16.143 3.619 -0.350 1.00 0.00 C ATOM 178 O PRO A 12 15.353 2.876 0.232 1.00 0.00 O ATOM 179 CB PRO A 12 16.969 4.755 1.766 1.00 0.00 C ATOM 180 CG PRO A 12 16.667 6.116 2.392 1.00 0.00 C ATOM 181 CD PRO A 12 15.417 6.582 1.646 1.00 0.00 C ATOM 0 HA PRO A 12 17.418 5.291 -0.333 1.00 0.00 H new ATOM 0 HB2 PRO A 12 16.384 3.960 2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.019 4.485 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 12 16.487 6.034 3.464 1.00 0.00 H new ATOM 0 HG3 PRO A 12 17.496 6.811 2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 12 14.509 6.283 2.170 1.00 0.00 H new ATOM 0 HD3 PRO A 12 15.391 7.668 1.558 1.00 0.00 H new ATOM 189 N GLY A 13 16.606 3.366 -1.590 1.00 0.00 N ATOM 190 CA GLY A 13 16.104 2.232 -2.384 1.00 0.00 C ATOM 191 C GLY A 13 15.644 2.695 -3.776 1.00 0.00 C ATOM 192 O GLY A 13 15.920 2.043 -4.781 1.00 0.00 O ATOM 0 H GLY A 13 17.319 3.926 -2.058 1.00 0.00 H new ATOM 0 HA2 GLY A 13 16.887 1.481 -2.487 1.00 0.00 H new ATOM 0 HA3 GLY A 13 15.273 1.757 -1.862 1.00 0.00 H new ATOM 196 N CYS A 14 15.005 3.870 -3.807 1.00 0.00 N ATOM 197 CA CYS A 14 14.597 4.524 -5.050 1.00 0.00 C ATOM 198 C CYS A 14 15.418 5.818 -5.284 1.00 0.00 C ATOM 199 O CYS A 14 16.202 6.240 -4.425 1.00 0.00 O ATOM 200 CB CYS A 14 13.103 4.863 -4.982 1.00 0.00 C ATOM 201 SG CYS A 14 12.399 5.335 -6.596 1.00 0.00 S ATOM 0 H CYS A 14 14.757 4.393 -2.967 1.00 0.00 H new ATOM 0 HA CYS A 14 14.782 3.843 -5.881 1.00 0.00 H new ATOM 0 HB2 CYS A 14 12.559 4.002 -4.594 1.00 0.00 H new ATOM 0 HB3 CYS A 14 12.954 5.679 -4.275 1.00 0.00 H new ATOM 0 HG CYS A 14 11.316 4.650 -6.814 1.00 0.00 H new ATOM 206 N ASN A 15 15.220 6.427 -6.455 1.00 0.00 N ATOM 207 CA ASN A 15 15.878 7.694 -6.829 1.00 0.00 C ATOM 208 C ASN A 15 15.431 8.100 -8.235 1.00 0.00 C ATOM 209 O ASN A 15 15.628 7.347 -9.193 1.00 0.00 O ATOM 210 CB ASN A 15 17.423 7.539 -6.795 1.00 0.00 C ATOM 211 CG ASN A 15 18.073 8.540 -5.852 1.00 0.00 C ATOM 212 OD1 ASN A 15 18.778 9.448 -6.263 1.00 0.00 O ATOM 213 ND2 ASN A 15 17.853 8.393 -4.563 1.00 0.00 N ATOM 0 H ASN A 15 14.599 6.060 -7.176 1.00 0.00 H new ATOM 0 HA ASN A 15 15.592 8.465 -6.113 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.679 6.527 -6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.824 7.674 -7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.273 9.041 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.262 7.631 -4.230 1.00 0.00 H new ATOM 220 N LYS A 16 14.762 9.259 -8.350 1.00 0.00 N ATOM 221 CA LYS A 16 14.108 9.657 -9.611 1.00 0.00 C ATOM 222 C LYS A 16 13.992 11.162 -9.707 1.00 0.00 C ATOM 223 O LYS A 16 14.185 11.860 -8.723 1.00 0.00 O ATOM 224 CB LYS A 16 12.693 9.037 -9.683 1.00 0.00 C ATOM 225 CG LYS A 16 12.518 7.521 -9.502 1.00 0.00 C ATOM 226 CD LYS A 16 12.999 6.691 -10.702 1.00 0.00 C ATOM 227 CE LYS A 16 13.355 5.258 -10.288 1.00 0.00 C ATOM 228 NZ LYS A 16 12.224 4.555 -9.648 1.00 0.00 N ATOM 0 H LYS A 16 14.659 9.934 -7.592 1.00 0.00 H new ATOM 0 HA LYS A 16 14.718 9.296 -10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.083 9.528 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.271 9.301 -10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.064 7.206 -8.613 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.465 7.306 -9.323 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.221 6.668 -11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.870 7.168 -11.150 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.675 4.699 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.200 5.282 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.422 3.534 -9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.097 4.912 -8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.356 4.724 -10.195 1.00 0.00 H new ATOM 242 N ARG A 17 13.532 11.649 -10.869 1.00 0.00 N ATOM 243 CA ARG A 17 13.171 13.060 -11.029 1.00 0.00 C ATOM 244 C ARG A 17 11.854 13.197 -11.801 1.00 0.00 C ATOM 245 O ARG A 17 11.626 12.500 -12.788 1.00 0.00 O ATOM 246 CB ARG A 17 14.295 13.821 -11.755 1.00 0.00 C ATOM 247 CG ARG A 17 14.586 13.413 -13.209 1.00 0.00 C ATOM 248 CD ARG A 17 15.700 14.307 -13.753 1.00 0.00 C ATOM 249 NE ARG A 17 15.861 14.146 -15.206 1.00 0.00 N ATOM 250 CZ ARG A 17 16.255 15.095 -16.049 1.00 0.00 C ATOM 251 NH1 ARG A 17 16.618 16.294 -15.645 1.00 0.00 N ATOM 252 NH2 ARG A 17 16.293 14.850 -17.338 1.00 0.00 N ATOM 0 H ARG A 17 13.402 11.085 -11.709 1.00 0.00 H new ATOM 0 HA ARG A 17 13.037 13.494 -10.038 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.048 14.883 -11.744 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.213 13.701 -11.179 1.00 0.00 H new ATOM 0 HG2 ARG A 17 14.885 12.366 -13.255 1.00 0.00 H new ATOM 0 HG3 ARG A 17 13.688 13.515 -13.818 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.476 15.349 -13.524 1.00 0.00 H new ATOM 0 HD3 ARG A 17 16.638 14.066 -13.253 1.00 0.00 H new ATOM 0 HE ARG A 17 15.653 13.229 -15.600 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.603 16.523 -14.651 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.914 16.994 -16.326 1.00 0.00 H new ATOM 0 HH21 ARG A 17 16.020 13.933 -17.691 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.595 15.577 -17.987 1.00 0.00 H new ATOM 266 N TYR A 18 10.971 14.046 -11.284 1.00 0.00 N ATOM 267 CA TYR A 18 9.616 14.192 -11.806 1.00 0.00 C ATOM 268 C TYR A 18 9.285 15.672 -12.042 1.00 0.00 C ATOM 269 O TYR A 18 9.938 16.563 -11.487 1.00 0.00 O ATOM 270 CB TYR A 18 8.612 13.601 -10.805 1.00 0.00 C ATOM 271 CG TYR A 18 8.655 12.103 -10.565 1.00 0.00 C ATOM 272 CD1 TYR A 18 9.527 11.539 -9.613 1.00 0.00 C ATOM 273 CD2 TYR A 18 7.762 11.269 -11.256 1.00 0.00 C ATOM 274 CE1 TYR A 18 9.519 10.147 -9.388 1.00 0.00 C ATOM 275 CE2 TYR A 18 7.822 9.873 -11.106 1.00 0.00 C ATOM 276 CZ TYR A 18 8.727 9.303 -10.191 1.00 0.00 C ATOM 277 OH TYR A 18 8.827 7.950 -10.086 1.00 0.00 O ATOM 0 H TYR A 18 11.175 14.653 -10.490 1.00 0.00 H new ATOM 0 HA TYR A 18 9.550 13.660 -12.755 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.761 14.099 -9.847 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.609 13.858 -11.145 1.00 0.00 H new ATOM 0 HD1 TYR A 18 10.201 12.172 -9.056 1.00 0.00 H new ATOM 0 HD2 TYR A 18 7.021 11.705 -11.910 1.00 0.00 H new ATOM 0 HE1 TYR A 18 10.122 9.726 -8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 18 7.174 9.238 -11.692 1.00 0.00 H new ATOM 0 HH TYR A 18 8.206 7.526 -10.715 1.00 0.00 H new ATOM 287 N PHE A 19 8.230 15.922 -12.823 1.00 0.00 N ATOM 288 CA PHE A 19 7.794 17.284 -13.130 1.00 0.00 C ATOM 289 C PHE A 19 6.355 17.526 -12.651 1.00 0.00 C ATOM 290 O PHE A 19 6.058 18.567 -12.072 1.00 0.00 O ATOM 291 CB PHE A 19 7.888 17.534 -14.641 1.00 0.00 C ATOM 292 CG PHE A 19 7.342 16.488 -15.599 1.00 0.00 C ATOM 293 CD1 PHE A 19 6.017 16.571 -16.069 1.00 0.00 C ATOM 294 CD2 PHE A 19 8.198 15.492 -16.110 1.00 0.00 C ATOM 295 CE1 PHE A 19 5.548 15.660 -17.032 1.00 0.00 C ATOM 296 CE2 PHE A 19 7.735 14.592 -17.087 1.00 0.00 C ATOM 297 CZ PHE A 19 6.409 14.675 -17.547 1.00 0.00 C ATOM 0 H PHE A 19 7.661 15.194 -13.255 1.00 0.00 H new ATOM 0 HA PHE A 19 8.450 17.978 -12.604 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.374 18.472 -14.851 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.940 17.685 -14.884 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.358 17.338 -15.688 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.214 15.419 -15.750 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.526 15.717 -17.376 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.398 13.837 -17.484 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.052 13.983 -18.295 1.00 0.00 H new ATOM 307 N LYS A 20 5.463 16.560 -12.907 1.00 0.00 N ATOM 308 CA LYS A 20 4.066 16.669 -12.481 1.00 0.00 C ATOM 309 C LYS A 20 3.936 16.378 -10.981 1.00 0.00 C ATOM 310 O LYS A 20 4.108 15.247 -10.539 1.00 0.00 O ATOM 311 CB LYS A 20 3.181 15.687 -13.287 1.00 0.00 C ATOM 312 CG LYS A 20 1.970 16.382 -13.930 1.00 0.00 C ATOM 313 CD LYS A 20 2.353 17.284 -15.117 1.00 0.00 C ATOM 314 CE LYS A 20 1.135 18.001 -15.712 1.00 0.00 C ATOM 315 NZ LYS A 20 0.204 17.062 -16.371 1.00 0.00 N ATOM 0 H LYS A 20 5.685 15.698 -13.405 1.00 0.00 H new ATOM 0 HA LYS A 20 3.729 17.688 -12.670 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.782 15.216 -14.065 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.832 14.892 -12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.262 15.626 -14.269 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.459 16.981 -13.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.084 18.023 -14.789 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.832 16.682 -15.889 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.609 18.538 -14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.470 18.745 -16.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.560 17.597 -16.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.718 16.507 -17.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.202 16.420 -15.661 1.00 0.00 H new ATOM 329 N LEU A 21 3.584 17.406 -10.220 1.00 0.00 N ATOM 330 CA LEU A 21 3.362 17.277 -8.772 1.00 0.00 C ATOM 331 C LEU A 21 2.537 16.002 -8.451 1.00 0.00 C ATOM 332 O LEU A 21 2.926 15.202 -7.615 1.00 0.00 O ATOM 333 CB LEU A 21 2.625 18.532 -8.260 1.00 0.00 C ATOM 334 CG LEU A 21 2.266 18.663 -6.767 1.00 0.00 C ATOM 335 CD1 LEU A 21 1.853 20.123 -6.531 1.00 0.00 C ATOM 336 CD2 LEU A 21 1.082 17.775 -6.361 1.00 0.00 C ATOM 0 H LEU A 21 3.443 18.350 -10.579 1.00 0.00 H new ATOM 0 HA LEU A 21 4.326 17.187 -8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.236 19.396 -8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.696 18.615 -8.825 1.00 0.00 H new ATOM 0 HG LEU A 21 3.130 18.356 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.589 20.262 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.683 20.782 -6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.993 20.363 -7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.874 17.909 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.202 18.054 -6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.327 16.731 -6.554 1.00 0.00 H new ATOM 348 N SER A 22 1.416 15.826 -9.161 1.00 0.00 N ATOM 349 CA SER A 22 0.510 14.666 -8.969 1.00 0.00 C ATOM 350 C SER A 22 1.148 13.337 -9.415 1.00 0.00 C ATOM 351 O SER A 22 0.887 12.292 -8.824 1.00 0.00 O ATOM 352 CB SER A 22 -0.785 14.892 -9.751 1.00 0.00 C ATOM 353 OG SER A 22 -0.513 15.247 -11.097 1.00 0.00 O ATOM 0 H SER A 22 1.104 16.475 -9.884 1.00 0.00 H new ATOM 0 HA SER A 22 0.306 14.590 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.391 13.987 -9.726 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.368 15.680 -9.275 1.00 0.00 H new ATOM 0 HG SER A 22 -1.357 15.384 -11.576 1.00 0.00 H new ATOM 359 N HIS A 23 1.951 13.385 -10.478 1.00 0.00 N ATOM 360 CA HIS A 23 2.576 12.148 -10.979 1.00 0.00 C ATOM 361 C HIS A 23 3.684 11.691 -10.015 1.00 0.00 C ATOM 362 O HIS A 23 3.798 10.501 -9.706 1.00 0.00 O ATOM 363 CB HIS A 23 3.109 12.334 -12.434 1.00 0.00 C ATOM 364 CG HIS A 23 4.470 12.734 -12.987 1.00 0.00 C ATOM 365 ND1 HIS A 23 4.832 12.426 -14.284 1.00 0.00 N ATOM 366 CD2 HIS A 23 5.475 13.518 -12.491 1.00 0.00 C ATOM 367 CE1 HIS A 23 6.011 13.004 -14.551 1.00 0.00 C ATOM 368 NE2 HIS A 23 6.435 13.701 -13.492 1.00 0.00 N ATOM 0 H HIS A 23 2.182 14.232 -10.997 1.00 0.00 H new ATOM 0 HA HIS A 23 1.820 11.364 -11.020 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.904 11.376 -12.912 1.00 0.00 H new ATOM 0 HB3 HIS A 23 2.425 13.061 -12.872 1.00 0.00 H new ATOM 0 HD1 HIS A 23 4.291 11.853 -14.932 1.00 0.00 H new ATOM 0 HD2 HIS A 23 5.520 13.928 -11.493 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.542 12.919 -15.487 1.00 0.00 H new ATOM 376 N LEU A 24 4.374 12.662 -9.414 1.00 0.00 N ATOM 377 CA LEU A 24 5.306 12.381 -8.336 1.00 0.00 C ATOM 378 C LEU A 24 4.564 12.015 -7.017 1.00 0.00 C ATOM 379 O LEU A 24 4.994 11.122 -6.286 1.00 0.00 O ATOM 380 CB LEU A 24 6.224 13.584 -8.112 1.00 0.00 C ATOM 381 CG LEU A 24 7.375 13.362 -7.087 1.00 0.00 C ATOM 382 CD1 LEU A 24 7.033 13.981 -5.727 1.00 0.00 C ATOM 383 CD2 LEU A 24 7.893 11.931 -6.847 1.00 0.00 C ATOM 0 H LEU A 24 4.300 13.649 -9.660 1.00 0.00 H new ATOM 0 HA LEU A 24 5.906 11.519 -8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.662 13.869 -9.069 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.618 14.425 -7.776 1.00 0.00 H new ATOM 0 HG LEU A 24 8.199 13.865 -7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.855 13.810 -5.032 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.874 15.053 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.126 13.521 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.692 11.953 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.078 11.305 -6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.276 11.521 -7.782 1.00 0.00 H new ATOM 395 N GLN A 25 3.443 12.688 -6.739 1.00 0.00 N ATOM 396 CA GLN A 25 2.616 12.361 -5.565 1.00 0.00 C ATOM 397 C GLN A 25 2.143 10.902 -5.639 1.00 0.00 C ATOM 398 O GLN A 25 2.182 10.175 -4.641 1.00 0.00 O ATOM 399 CB GLN A 25 1.399 13.306 -5.487 1.00 0.00 C ATOM 400 CG GLN A 25 0.657 13.245 -4.137 1.00 0.00 C ATOM 401 CD GLN A 25 -0.549 12.305 -4.117 1.00 0.00 C ATOM 402 OE1 GLN A 25 -1.684 12.717 -4.292 1.00 0.00 O ATOM 403 NE2 GLN A 25 -0.364 11.014 -3.917 1.00 0.00 N ATOM 0 H GLN A 25 3.086 13.458 -7.305 1.00 0.00 H new ATOM 0 HA GLN A 25 3.221 12.492 -4.667 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.732 14.329 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.702 13.055 -6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.359 12.931 -3.365 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.323 14.249 -3.875 1.00 0.00 H new ATOM 0 HE21 GLN A 25 0.577 10.651 -3.769 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.162 10.379 -3.911 1.00 0.00 H new ATOM 412 N MET A 26 1.751 10.470 -6.846 1.00 0.00 N ATOM 413 CA MET A 26 1.384 9.081 -7.092 1.00 0.00 C ATOM 414 C MET A 26 2.586 8.151 -6.858 1.00 0.00 C ATOM 415 O MET A 26 2.483 7.177 -6.116 1.00 0.00 O ATOM 416 CB MET A 26 0.873 8.927 -8.534 1.00 0.00 C ATOM 417 CG MET A 26 0.398 7.510 -8.863 1.00 0.00 C ATOM 418 SD MET A 26 -0.918 6.869 -7.793 1.00 0.00 S ATOM 419 CE MET A 26 -1.285 5.370 -8.733 1.00 0.00 C ATOM 0 H MET A 26 1.682 11.072 -7.667 1.00 0.00 H new ATOM 0 HA MET A 26 0.593 8.801 -6.396 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.051 9.624 -8.697 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.669 9.205 -9.225 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.047 7.492 -9.895 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.252 6.835 -8.806 1.00 0.00 H new ATOM 0 HE1 MET A 26 -2.083 4.817 -8.238 1.00 0.00 H new ATOM 0 HE2 MET A 26 -1.601 5.641 -9.740 1.00 0.00 H new ATOM 0 HE3 MET A 26 -0.392 4.747 -8.788 1.00 0.00 H new ATOM 429 N HIS A 27 3.756 8.511 -7.424 1.00 0.00 N ATOM 430 CA HIS A 27 4.981 7.709 -7.243 1.00 0.00 C ATOM 431 C HIS A 27 5.324 7.574 -5.754 1.00 0.00 C ATOM 432 O HIS A 27 5.604 6.468 -5.268 1.00 0.00 O ATOM 433 CB HIS A 27 6.168 8.370 -7.976 1.00 0.00 C ATOM 434 CG HIS A 27 7.466 7.724 -7.530 1.00 0.00 C ATOM 435 ND1 HIS A 27 7.780 6.382 -7.650 1.00 0.00 N ATOM 436 CD2 HIS A 27 8.429 8.301 -6.743 1.00 0.00 C ATOM 437 CE1 HIS A 27 8.892 6.152 -6.928 1.00 0.00 C ATOM 438 NE2 HIS A 27 9.325 7.296 -6.391 1.00 0.00 N ATOM 0 H HIS A 27 3.877 9.342 -8.003 1.00 0.00 H new ATOM 0 HA HIS A 27 4.799 6.719 -7.661 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.048 8.262 -9.054 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.190 9.439 -7.763 1.00 0.00 H new ATOM 0 HD2 HIS A 27 8.482 9.339 -6.451 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.363 5.188 -6.802 1.00 0.00 H new ATOM 0 HE2 HIS A 27 10.164 7.412 -5.823 1.00 0.00 H new ATOM 446 N SER A 28 5.169 8.675 -5.009 1.00 0.00 N ATOM 447 CA SER A 28 5.500 8.718 -3.591 1.00 0.00 C ATOM 448 C SER A 28 4.694 7.693 -2.812 1.00 0.00 C ATOM 449 O SER A 28 5.135 7.221 -1.772 1.00 0.00 O ATOM 450 CB SER A 28 5.223 10.121 -3.035 1.00 0.00 C ATOM 451 OG SER A 28 5.903 11.109 -3.787 1.00 0.00 O ATOM 0 H SER A 28 4.811 9.556 -5.377 1.00 0.00 H new ATOM 0 HA SER A 28 6.558 8.481 -3.480 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.151 10.318 -3.054 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.538 10.172 -1.993 1.00 0.00 H new ATOM 0 HG SER A 28 5.400 11.301 -4.606 1.00 0.00 H new ATOM 457 N ARG A 29 3.490 7.361 -3.314 1.00 0.00 N ATOM 458 CA ARG A 29 2.590 6.437 -2.629 1.00 0.00 C ATOM 459 C ARG A 29 3.291 5.098 -2.350 1.00 0.00 C ATOM 460 O ARG A 29 3.124 4.523 -1.272 1.00 0.00 O ATOM 461 CB ARG A 29 1.338 6.198 -3.483 1.00 0.00 C ATOM 462 CG ARG A 29 0.226 5.514 -2.680 1.00 0.00 C ATOM 463 CD ARG A 29 -0.914 5.048 -3.590 1.00 0.00 C ATOM 464 NE ARG A 29 -1.574 6.130 -4.349 1.00 0.00 N ATOM 465 CZ ARG A 29 -2.319 7.132 -3.893 1.00 0.00 C ATOM 466 NH1 ARG A 29 -2.514 7.357 -2.611 1.00 0.00 N ATOM 467 NH2 ARG A 29 -2.910 7.930 -4.753 1.00 0.00 N ATOM 0 H ARG A 29 3.125 7.724 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 29 2.301 6.882 -1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.974 7.150 -3.870 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.597 5.582 -4.344 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.636 4.660 -2.142 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.163 6.205 -1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.523 4.314 -4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.662 4.539 -2.982 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.440 6.105 -5.360 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.084 6.748 -1.915 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.095 8.141 -2.313 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -2.794 7.776 -5.755 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.485 8.703 -4.419 1.00 0.00 H new ATOM 481 N LYS A 30 4.120 4.631 -3.304 1.00 0.00 N ATOM 482 CA LYS A 30 4.899 3.384 -3.110 1.00 0.00 C ATOM 483 C LYS A 30 5.796 3.481 -1.850 1.00 0.00 C ATOM 484 O LYS A 30 5.995 2.495 -1.147 1.00 0.00 O ATOM 485 CB LYS A 30 5.771 3.111 -4.350 1.00 0.00 C ATOM 486 CG LYS A 30 4.891 2.614 -5.509 1.00 0.00 C ATOM 487 CD LYS A 30 5.725 2.226 -6.737 1.00 0.00 C ATOM 488 CE LYS A 30 4.876 1.496 -7.786 1.00 0.00 C ATOM 489 NZ LYS A 30 3.806 2.354 -8.338 1.00 0.00 N ATOM 0 H LYS A 30 4.269 5.087 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 30 4.197 2.562 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.295 4.020 -4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.531 2.367 -4.114 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.309 1.753 -5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.180 3.393 -5.785 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.161 3.122 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.553 1.587 -6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.519 1.154 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.431 0.608 -7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.260 1.818 -9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.175 2.660 -7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.230 3.189 -8.791 1.00 0.00 H new ATOM 503 N HIS A 31 6.296 4.687 -1.572 1.00 0.00 N ATOM 504 CA HIS A 31 7.164 4.945 -0.410 1.00 0.00 C ATOM 505 C HIS A 31 6.350 5.340 0.854 1.00 0.00 C ATOM 506 O HIS A 31 6.927 5.558 1.912 1.00 0.00 O ATOM 507 CB HIS A 31 8.178 6.046 -0.745 1.00 0.00 C ATOM 508 CG HIS A 31 9.096 5.592 -1.851 1.00 0.00 C ATOM 509 ND1 HIS A 31 9.682 4.347 -1.917 1.00 0.00 N ATOM 510 CD2 HIS A 31 9.484 6.297 -2.960 1.00 0.00 C ATOM 511 CE1 HIS A 31 10.417 4.305 -3.035 1.00 0.00 C ATOM 512 NE2 HIS A 31 10.320 5.459 -3.702 1.00 0.00 N ATOM 0 H HIS A 31 6.114 5.513 -2.141 1.00 0.00 H new ATOM 0 HA HIS A 31 7.690 4.017 -0.184 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.654 6.953 -1.047 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.761 6.295 0.142 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.198 7.307 -3.212 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.006 3.457 -3.353 1.00 0.00 H new ATOM 0 HE2 HIS A 31 10.772 5.686 -4.588 1.00 0.00 H new ATOM 520 N THR A 32 5.012 5.452 0.728 1.00 0.00 N ATOM 521 CA THR A 32 4.202 5.780 1.930 1.00 0.00 C ATOM 522 C THR A 32 4.063 4.546 2.830 1.00 0.00 C ATOM 523 O THR A 32 4.153 4.647 4.052 1.00 0.00 O ATOM 524 CB THR A 32 2.792 6.276 1.554 1.00 0.00 C ATOM 525 OG1 THR A 32 2.018 5.351 0.821 1.00 0.00 O ATOM 526 CG2 THR A 32 2.815 7.627 0.845 1.00 0.00 C ATOM 0 H THR A 32 4.488 5.329 -0.139 1.00 0.00 H new ATOM 0 HA THR A 32 4.724 6.578 2.458 1.00 0.00 H new ATOM 0 HB THR A 32 2.296 6.395 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.408 5.232 -0.070 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.796 7.928 0.603 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.269 8.373 1.498 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.397 7.546 -0.073 1.00 0.00 H new ATOM 592 N TYR A 37 7.180 -1.505 10.685 1.00 0.00 N ATOM 593 CA TYR A 37 6.264 -1.975 11.735 1.00 0.00 C ATOM 594 C TYR A 37 6.571 -3.433 12.088 1.00 0.00 C ATOM 595 O TYR A 37 6.212 -4.338 11.346 1.00 0.00 O ATOM 596 CB TYR A 37 4.806 -1.862 11.243 1.00 0.00 C ATOM 597 CG TYR A 37 4.127 -0.528 11.461 1.00 0.00 C ATOM 598 CD1 TYR A 37 3.862 -0.068 12.765 1.00 0.00 C ATOM 599 CD2 TYR A 37 3.736 0.241 10.351 1.00 0.00 C ATOM 600 CE1 TYR A 37 3.238 1.179 12.958 1.00 0.00 C ATOM 601 CE2 TYR A 37 3.138 1.505 10.537 1.00 0.00 C ATOM 602 CZ TYR A 37 2.892 1.977 11.847 1.00 0.00 C ATOM 603 OH TYR A 37 2.350 3.207 12.060 1.00 0.00 O ATOM 0 HA TYR A 37 6.398 -1.356 12.622 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.786 -2.086 10.176 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.216 -2.632 11.741 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.137 -0.672 13.617 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.894 -0.137 9.352 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.024 1.525 13.958 1.00 0.00 H new ATOM 0 HE2 TYR A 37 2.869 2.109 9.683 1.00 0.00 H new ATOM 0 HH TYR A 37 2.166 3.637 11.199 1.00 0.00 H new ATOM 613 N GLN A 38 7.232 -3.660 13.232 1.00 0.00 N ATOM 614 CA GLN A 38 7.551 -5.024 13.676 1.00 0.00 C ATOM 615 C GLN A 38 6.513 -5.524 14.672 1.00 0.00 C ATOM 616 O GLN A 38 5.867 -4.734 15.364 1.00 0.00 O ATOM 617 CB GLN A 38 8.955 -5.060 14.327 1.00 0.00 C ATOM 618 CG GLN A 38 9.134 -4.424 15.724 1.00 0.00 C ATOM 619 CD GLN A 38 10.269 -5.102 16.497 1.00 0.00 C ATOM 620 OE1 GLN A 38 11.444 -4.817 16.296 1.00 0.00 O ATOM 621 NE2 GLN A 38 9.958 -6.066 17.346 1.00 0.00 N ATOM 0 H GLN A 38 7.553 -2.924 13.861 1.00 0.00 H new ATOM 0 HA GLN A 38 7.542 -5.676 12.803 1.00 0.00 H new ATOM 0 HB2 GLN A 38 9.262 -6.103 14.395 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.649 -4.567 13.646 1.00 0.00 H new ATOM 0 HG2 GLN A 38 9.347 -3.360 15.618 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.205 -4.509 16.287 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.980 -6.303 17.513 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.696 -6.573 17.834 1.00 0.00 H new ATOM 630 N CYS A 39 6.408 -6.844 14.783 1.00 0.00 N ATOM 631 CA CYS A 39 5.584 -7.469 15.816 1.00 0.00 C ATOM 632 C CYS A 39 6.238 -7.313 17.196 1.00 0.00 C ATOM 633 O CYS A 39 7.459 -7.185 17.309 1.00 0.00 O ATOM 634 CB CYS A 39 5.392 -8.958 15.506 1.00 0.00 C ATOM 635 SG CYS A 39 3.863 -9.150 14.576 1.00 0.00 S ATOM 0 H CYS A 39 6.884 -7.505 14.169 1.00 0.00 H new ATOM 0 HA CYS A 39 4.614 -6.973 15.827 1.00 0.00 H new ATOM 0 HB2 CYS A 39 6.236 -9.338 14.931 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.350 -9.536 16.429 1.00 0.00 H new ATOM 0 HG CYS A 39 2.875 -9.336 15.400 1.00 0.00 H new ATOM 731 N ARG A 46 8.160 -10.447 13.821 1.00 0.00 N ATOM 732 CA ARG A 46 8.324 -10.259 12.375 1.00 0.00 C ATOM 733 C ARG A 46 8.380 -8.770 12.039 1.00 0.00 C ATOM 734 O ARG A 46 8.220 -7.926 12.916 1.00 0.00 O ATOM 735 CB ARG A 46 7.143 -10.919 11.629 1.00 0.00 C ATOM 736 CG ARG A 46 7.228 -12.453 11.628 1.00 0.00 C ATOM 737 CD ARG A 46 5.883 -13.043 11.192 1.00 0.00 C ATOM 738 NE ARG A 46 5.937 -14.509 11.061 1.00 0.00 N ATOM 739 CZ ARG A 46 5.602 -15.404 11.987 1.00 0.00 C ATOM 740 NH1 ARG A 46 5.197 -15.094 13.197 1.00 0.00 N ATOM 741 NH2 ARG A 46 5.679 -16.685 11.701 1.00 0.00 N ATOM 0 HA ARG A 46 9.258 -10.726 12.061 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.207 -10.611 12.094 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.121 -10.559 10.600 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.017 -12.783 10.952 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.489 -12.813 12.623 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.117 -12.772 11.918 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.588 -12.605 10.239 1.00 0.00 H new ATOM 0 HE ARG A 46 6.265 -14.876 10.168 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.124 -14.115 13.475 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.955 -15.832 13.859 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.993 -16.983 10.778 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.425 -17.380 12.403 1.00 0.00 H new ATOM 755 N ARG A 47 8.585 -8.450 10.753 1.00 0.00 N ATOM 756 CA ARG A 47 8.610 -7.056 10.301 1.00 0.00 C ATOM 757 C ARG A 47 7.702 -6.855 9.090 1.00 0.00 C ATOM 758 O ARG A 47 7.581 -7.733 8.237 1.00 0.00 O ATOM 759 CB ARG A 47 10.050 -6.639 9.932 1.00 0.00 C ATOM 760 CG ARG A 47 10.961 -6.413 11.142 1.00 0.00 C ATOM 761 CD ARG A 47 11.812 -7.639 11.511 1.00 0.00 C ATOM 762 NE ARG A 47 11.778 -7.927 12.949 1.00 0.00 N ATOM 763 CZ ARG A 47 12.030 -7.123 13.973 1.00 0.00 C ATOM 764 NH1 ARG A 47 12.477 -5.893 13.855 1.00 0.00 N ATOM 765 NH2 ARG A 47 11.787 -7.558 15.179 1.00 0.00 N ATOM 0 H ARG A 47 8.735 -9.136 10.013 1.00 0.00 H new ATOM 0 HA ARG A 47 8.247 -6.435 11.120 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.489 -7.409 9.298 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.012 -5.723 9.342 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.622 -5.571 10.936 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.349 -6.135 12.000 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.452 -8.508 10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.843 -7.470 11.201 1.00 0.00 H new ATOM 0 HE ARG A 47 11.524 -8.883 13.197 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.652 -5.501 12.930 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.649 -5.331 14.688 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.412 -8.497 15.317 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.972 -6.960 15.984 1.00 0.00 H new ATOM 779 N PHE A 48 7.116 -5.664 9.008 1.00 0.00 N ATOM 780 CA PHE A 48 6.253 -5.273 7.900 1.00 0.00 C ATOM 781 C PHE A 48 6.530 -3.808 7.523 1.00 0.00 C ATOM 782 O PHE A 48 7.185 -3.084 8.272 1.00 0.00 O ATOM 783 CB PHE A 48 4.778 -5.441 8.307 1.00 0.00 C ATOM 784 CG PHE A 48 4.449 -6.830 8.826 1.00 0.00 C ATOM 785 CD1 PHE A 48 4.149 -7.862 7.920 1.00 0.00 C ATOM 786 CD2 PHE A 48 4.555 -7.120 10.201 1.00 0.00 C ATOM 787 CE1 PHE A 48 3.988 -9.177 8.383 1.00 0.00 C ATOM 788 CE2 PHE A 48 4.415 -8.440 10.664 1.00 0.00 C ATOM 789 CZ PHE A 48 4.164 -9.472 9.745 1.00 0.00 C ATOM 0 H PHE A 48 7.228 -4.938 9.715 1.00 0.00 H new ATOM 0 HA PHE A 48 6.459 -5.909 7.039 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.535 -4.707 9.076 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.145 -5.223 7.447 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.042 -7.643 6.868 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.745 -6.323 10.904 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.728 -9.964 7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.500 -8.659 11.718 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.106 -10.495 10.086 1.00 0.00 H new ATOM 799 N SER A 49 6.061 -3.389 6.344 1.00 0.00 N ATOM 800 CA SER A 49 6.334 -2.028 5.839 1.00 0.00 C ATOM 801 C SER A 49 5.091 -1.124 5.952 1.00 0.00 C ATOM 802 O SER A 49 5.181 0.089 5.775 1.00 0.00 O ATOM 803 CB SER A 49 6.790 -2.098 4.373 1.00 0.00 C ATOM 804 OG SER A 49 5.705 -2.082 3.456 1.00 0.00 O ATOM 0 H SER A 49 5.494 -3.963 5.721 1.00 0.00 H new ATOM 0 HA SER A 49 7.125 -1.595 6.452 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.450 -1.256 4.162 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.374 -3.006 4.222 1.00 0.00 H new ATOM 0 HG SER A 49 6.050 -2.127 2.540 1.00 0.00 H new ATOM 810 N ARG A 50 3.927 -1.731 6.228 1.00 0.00 N ATOM 811 CA ARG A 50 2.660 -0.992 6.292 1.00 0.00 C ATOM 812 C ARG A 50 1.874 -1.381 7.542 1.00 0.00 C ATOM 813 O ARG A 50 1.860 -2.551 7.944 1.00 0.00 O ATOM 814 CB ARG A 50 1.824 -1.289 5.030 1.00 0.00 C ATOM 815 CG ARG A 50 0.955 -0.125 4.532 1.00 0.00 C ATOM 816 CD ARG A 50 -0.002 -0.551 3.403 1.00 0.00 C ATOM 817 NE ARG A 50 0.665 -1.202 2.254 1.00 0.00 N ATOM 818 CZ ARG A 50 0.133 -2.096 1.413 1.00 0.00 C ATOM 819 NH1 ARG A 50 -1.092 -2.526 1.564 1.00 0.00 N ATOM 820 NH2 ARG A 50 0.916 -2.607 0.500 1.00 0.00 N ATOM 0 H ARG A 50 3.838 -2.731 6.410 1.00 0.00 H new ATOM 0 HA ARG A 50 2.877 0.075 6.340 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.500 -1.586 4.228 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.177 -2.142 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.376 0.275 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.599 0.679 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.746 -1.235 3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.539 0.328 3.046 1.00 0.00 H new ATOM 0 HE ARG A 50 1.636 -0.941 2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.663 -2.180 2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.477 -3.208 0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.894 -2.321 0.448 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.550 -3.292 -0.161 1.00 0.00 H new ATOM 834 N SER A 51 1.183 -0.401 8.136 1.00 0.00 N ATOM 835 CA SER A 51 0.356 -0.652 9.317 1.00 0.00 C ATOM 836 C SER A 51 -0.714 -1.706 9.012 1.00 0.00 C ATOM 837 O SER A 51 -0.991 -2.559 9.833 1.00 0.00 O ATOM 838 CB SER A 51 -0.312 0.643 9.783 1.00 0.00 C ATOM 839 OG SER A 51 -0.839 0.387 11.070 1.00 0.00 O ATOM 0 H SER A 51 1.181 0.568 7.818 1.00 0.00 H new ATOM 0 HA SER A 51 1.001 -1.026 10.112 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.408 1.460 9.815 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.102 0.941 9.093 1.00 0.00 H new ATOM 0 HG SER A 51 -1.278 1.195 11.410 1.00 0.00 H new ATOM 845 N ASP A 52 -1.276 -1.658 7.794 1.00 0.00 N ATOM 846 CA ASP A 52 -2.275 -2.648 7.361 1.00 0.00 C ATOM 847 C ASP A 52 -1.686 -4.070 7.373 1.00 0.00 C ATOM 848 O ASP A 52 -2.323 -5.005 7.849 1.00 0.00 O ATOM 849 CB ASP A 52 -2.762 -2.314 5.949 1.00 0.00 C ATOM 850 CG ASP A 52 -3.885 -3.259 5.478 1.00 0.00 C ATOM 851 OD1 ASP A 52 -4.715 -3.654 6.329 1.00 0.00 O ATOM 852 OD2 ASP A 52 -3.897 -3.571 4.264 1.00 0.00 O ATOM 0 H ASP A 52 -1.057 -0.948 7.095 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.111 -2.611 8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.122 -1.285 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.924 -2.375 5.254 1.00 0.00 H new ATOM 857 N GLN A 53 -0.441 -4.210 6.886 1.00 0.00 N ATOM 858 CA GLN A 53 0.237 -5.508 6.857 1.00 0.00 C ATOM 859 C GLN A 53 0.415 -6.051 8.280 1.00 0.00 C ATOM 860 O GLN A 53 0.012 -7.174 8.577 1.00 0.00 O ATOM 861 CB GLN A 53 1.614 -5.373 6.180 1.00 0.00 C ATOM 862 CG GLN A 53 1.648 -5.053 4.672 1.00 0.00 C ATOM 863 CD GLN A 53 3.027 -4.518 4.249 1.00 0.00 C ATOM 864 OE1 GLN A 53 4.029 -4.685 4.930 1.00 0.00 O ATOM 865 NE2 GLN A 53 3.144 -3.824 3.133 1.00 0.00 N ATOM 0 H GLN A 53 0.111 -3.440 6.509 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.378 -6.204 6.286 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.167 -4.591 6.700 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.156 -6.305 6.336 1.00 0.00 H new ATOM 0 HG2 GLN A 53 1.413 -5.951 4.101 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.881 -4.316 4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.327 -3.667 2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.051 -3.445 2.861 1.00 0.00 H new ATOM 874 N LEU A 54 0.972 -5.212 9.175 1.00 0.00 N ATOM 875 CA LEU A 54 1.167 -5.592 10.584 1.00 0.00 C ATOM 876 C LEU A 54 -0.196 -5.862 11.280 1.00 0.00 C ATOM 877 O LEU A 54 -0.348 -6.847 11.993 1.00 0.00 O ATOM 878 CB LEU A 54 1.928 -4.458 11.331 1.00 0.00 C ATOM 879 CG LEU A 54 2.027 -4.650 12.867 1.00 0.00 C ATOM 880 CD1 LEU A 54 2.731 -5.947 13.275 1.00 0.00 C ATOM 881 CD2 LEU A 54 2.771 -3.496 13.551 1.00 0.00 C ATOM 0 H LEU A 54 1.293 -4.271 8.947 1.00 0.00 H new ATOM 0 HA LEU A 54 1.755 -6.509 10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.935 -4.384 10.922 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.431 -3.510 11.128 1.00 0.00 H new ATOM 0 HG LEU A 54 0.988 -4.684 13.195 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.765 -6.016 14.362 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.183 -6.800 12.874 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.747 -5.950 12.880 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.814 -3.677 14.625 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.784 -3.430 13.153 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.245 -2.561 13.361 1.00 0.00 H new ATOM 893 N LYS A 55 -1.163 -4.956 11.080 1.00 0.00 N ATOM 894 CA LYS A 55 -2.482 -5.046 11.743 1.00 0.00 C ATOM 895 C LYS A 55 -3.241 -6.300 11.295 1.00 0.00 C ATOM 896 O LYS A 55 -3.850 -6.983 12.116 1.00 0.00 O ATOM 897 CB LYS A 55 -3.312 -3.792 11.421 1.00 0.00 C ATOM 898 CG LYS A 55 -4.650 -3.734 12.178 1.00 0.00 C ATOM 899 CD LYS A 55 -5.416 -2.429 11.918 1.00 0.00 C ATOM 900 CE LYS A 55 -4.685 -1.205 12.482 1.00 0.00 C ATOM 901 NZ LYS A 55 -5.500 0.015 12.335 1.00 0.00 N ATOM 0 H LYS A 55 -1.061 -4.149 10.464 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.320 -5.112 12.819 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.727 -2.905 11.665 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.508 -3.760 10.349 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.269 -4.580 11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.464 -3.835 13.247 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.559 -2.302 10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.407 -2.496 12.366 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.456 -1.368 13.535 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.734 -1.075 11.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.981 0.828 12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.698 0.181 11.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.397 -0.102 12.849 1.00 0.00 H new ATOM 915 N ARG A 56 -3.174 -6.613 9.995 1.00 0.00 N ATOM 916 CA ARG A 56 -3.723 -7.870 9.472 1.00 0.00 C ATOM 917 C ARG A 56 -2.974 -9.061 10.074 1.00 0.00 C ATOM 918 O ARG A 56 -3.586 -9.979 10.622 1.00 0.00 O ATOM 919 CB ARG A 56 -3.604 -7.894 7.935 1.00 0.00 C ATOM 920 CG ARG A 56 -4.171 -9.159 7.266 1.00 0.00 C ATOM 921 CD ARG A 56 -4.059 -9.089 5.734 1.00 0.00 C ATOM 922 NE ARG A 56 -2.658 -9.069 5.291 1.00 0.00 N ATOM 923 CZ ARG A 56 -2.201 -9.253 4.057 1.00 0.00 C ATOM 924 NH1 ARG A 56 -2.981 -9.484 3.020 1.00 0.00 N ATOM 925 NH2 ARG A 56 -0.907 -9.207 3.859 1.00 0.00 N ATOM 0 H ARG A 56 -2.746 -6.015 9.288 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.775 -7.940 9.749 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.120 -7.023 7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.553 -7.796 7.664 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.635 -10.035 7.631 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.216 -9.284 7.549 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.568 -9.946 5.293 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.568 -8.195 5.373 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.958 -8.894 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.993 -9.529 3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.573 -9.618 2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -0.277 -9.033 4.642 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.529 -9.345 2.922 1.00 0.00 H new ATOM 939 N HIS A 57 -1.641 -8.978 10.066 1.00 0.00 N ATOM 940 CA HIS A 57 -0.784 -10.047 10.571 1.00 0.00 C ATOM 941 C HIS A 57 -1.057 -10.319 12.071 1.00 0.00 C ATOM 942 O HIS A 57 -1.080 -11.469 12.501 1.00 0.00 O ATOM 943 CB HIS A 57 0.683 -9.665 10.369 1.00 0.00 C ATOM 944 CG HIS A 57 1.568 -10.707 10.966 1.00 0.00 C ATOM 945 ND1 HIS A 57 1.645 -12.022 10.590 1.00 0.00 N ATOM 946 CD2 HIS A 57 2.277 -10.557 12.114 1.00 0.00 C ATOM 947 CE1 HIS A 57 2.418 -12.658 11.485 1.00 0.00 C ATOM 948 NE2 HIS A 57 2.784 -11.809 12.445 1.00 0.00 N ATOM 0 H HIS A 57 -1.130 -8.170 9.710 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.006 -10.959 10.016 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.897 -9.560 9.305 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.883 -8.698 10.831 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.196 -12.442 9.776 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.420 -9.640 12.666 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.700 -13.699 11.435 1.00 0.00 H new ATOM 956 N GLN A 58 -1.339 -9.255 12.833 1.00 0.00 N ATOM 957 CA GLN A 58 -1.640 -9.371 14.268 1.00 0.00 C ATOM 958 C GLN A 58 -2.766 -10.399 14.510 1.00 0.00 C ATOM 959 O GLN A 58 -2.713 -11.165 15.475 1.00 0.00 O ATOM 960 CB GLN A 58 -2.054 -7.986 14.823 1.00 0.00 C ATOM 961 CG GLN A 58 -3.062 -7.900 15.987 1.00 0.00 C ATOM 962 CD GLN A 58 -4.540 -8.074 15.612 1.00 0.00 C ATOM 963 OE1 GLN A 58 -5.300 -8.765 16.277 1.00 0.00 O ATOM 964 NE2 GLN A 58 -5.024 -7.518 14.522 1.00 0.00 N ATOM 0 H GLN A 58 -1.365 -8.299 12.479 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.747 -9.718 14.787 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.144 -7.478 15.142 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.465 -7.412 13.993 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.803 -8.661 16.723 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.943 -6.932 16.474 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.425 -6.934 13.938 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.998 -7.671 14.261 1.00 0.00 H new ATOM 973 N ARG A 59 -3.770 -10.421 13.611 1.00 0.00 N ATOM 974 CA ARG A 59 -4.920 -11.339 13.743 1.00 0.00 C ATOM 975 C ARG A 59 -4.460 -12.811 13.852 1.00 0.00 C ATOM 976 O ARG A 59 -5.094 -13.608 14.534 1.00 0.00 O ATOM 977 CB ARG A 59 -5.879 -11.168 12.554 1.00 0.00 C ATOM 978 CG ARG A 59 -6.441 -9.732 12.617 1.00 0.00 C ATOM 979 CD ARG A 59 -7.781 -9.520 11.918 1.00 0.00 C ATOM 980 NE ARG A 59 -7.624 -9.271 10.486 1.00 0.00 N ATOM 981 CZ ARG A 59 -7.485 -8.111 9.862 1.00 0.00 C ATOM 982 NH1 ARG A 59 -7.249 -6.978 10.486 1.00 0.00 N ATOM 983 NH2 ARG A 59 -7.602 -8.091 8.557 1.00 0.00 N ATOM 0 H ARG A 59 -3.809 -9.817 12.790 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.445 -11.084 14.664 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.356 -11.335 11.612 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.686 -11.899 12.604 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.548 -9.448 13.664 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.710 -9.055 12.176 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.409 -10.399 12.065 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.299 -8.678 12.377 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.621 -10.099 9.890 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.164 -6.964 11.502 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.151 -6.113 9.954 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.795 -8.954 8.049 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.500 -7.212 8.049 1.00 0.00 H new ATOM 997 N ARG A 60 -3.345 -13.155 13.177 1.00 0.00 N ATOM 998 CA ARG A 60 -2.785 -14.529 13.229 1.00 0.00 C ATOM 999 C ARG A 60 -2.510 -14.970 14.690 1.00 0.00 C ATOM 1000 O ARG A 60 -2.666 -16.141 15.025 1.00 0.00 O ATOM 1001 CB ARG A 60 -1.474 -14.590 12.414 1.00 0.00 C ATOM 1002 CG ARG A 60 -0.795 -15.968 12.413 1.00 0.00 C ATOM 1003 CD ARG A 60 0.505 -15.920 11.600 1.00 0.00 C ATOM 1004 NE ARG A 60 1.170 -17.232 11.564 1.00 0.00 N ATOM 1005 CZ ARG A 60 2.172 -17.609 10.776 1.00 0.00 C ATOM 1006 NH1 ARG A 60 2.649 -16.864 9.800 1.00 0.00 N ATOM 1007 NH2 ARG A 60 2.723 -18.787 10.954 1.00 0.00 N ATOM 0 H ARG A 60 -2.815 -12.509 12.592 1.00 0.00 H new ATOM 0 HA ARG A 60 -3.520 -15.210 12.799 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.686 -14.301 11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.776 -13.854 12.814 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.581 -16.276 13.436 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.469 -16.713 11.990 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.287 -15.594 10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.179 -15.182 12.034 1.00 0.00 H new ATOM 0 HE ARG A 60 0.822 -17.933 12.219 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.247 -15.945 9.617 1.00 0.00 H new ATOM 0 HH12 ARG A 60 3.420 -17.206 9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.382 -19.403 11.691 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.492 -19.086 10.355 1.00 0.00 H new ATOM 1021 N HIS A 61 -2.104 -14.018 15.545 1.00 0.00 N ATOM 1022 CA HIS A 61 -1.799 -14.314 16.961 1.00 0.00 C ATOM 1023 C HIS A 61 -3.060 -14.225 17.822 1.00 0.00 C ATOM 1024 O HIS A 61 -3.277 -15.054 18.702 1.00 0.00 O ATOM 1025 CB HIS A 61 -0.751 -13.325 17.501 1.00 0.00 C ATOM 1026 CG HIS A 61 0.234 -12.781 16.516 1.00 0.00 C ATOM 1027 ND1 HIS A 61 -0.008 -11.761 15.653 1.00 0.00 N ATOM 1028 CD2 HIS A 61 1.556 -13.070 16.418 1.00 0.00 C ATOM 1029 CE1 HIS A 61 1.149 -11.435 15.058 1.00 0.00 C ATOM 1030 NE2 HIS A 61 2.132 -12.228 15.484 1.00 0.00 N ATOM 0 H HIS A 61 -1.979 -13.040 15.286 1.00 0.00 H new ATOM 0 HA HIS A 61 -1.405 -15.329 17.011 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.278 -12.485 17.953 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.196 -13.820 18.298 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.075 -13.834 16.978 1.00 0.00 H new ATOM 0 HE1 HIS A 61 1.268 -10.641 14.335 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.107 -12.216 15.184 1.00 0.00 H new ATOM 1038 N THR A 62 -3.853 -13.168 17.604 1.00 0.00 N ATOM 1039 CA THR A 62 -5.026 -12.884 18.447 1.00 0.00 C ATOM 1040 C THR A 62 -6.209 -13.811 18.091 1.00 0.00 C ATOM 1041 O THR A 62 -7.155 -13.939 18.863 1.00 0.00 O ATOM 1042 CB THR A 62 -5.470 -11.419 18.285 1.00 0.00 C ATOM 1043 OG1 THR A 62 -5.939 -11.155 16.986 1.00 0.00 O ATOM 1044 CG2 THR A 62 -4.292 -10.467 18.558 1.00 0.00 C ATOM 0 H THR A 62 -3.705 -12.495 16.852 1.00 0.00 H new ATOM 0 HA THR A 62 -4.733 -13.065 19.481 1.00 0.00 H new ATOM 0 HB THR A 62 -6.275 -11.257 19.002 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.663 -10.254 16.715 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.623 -9.435 18.439 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.931 -10.617 19.575 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.487 -10.673 17.853 1.00 0.00 H new ATOM 1052 N GLY A 63 -6.115 -14.486 16.932 1.00 0.00 N ATOM 1053 CA GLY A 63 -7.111 -15.494 16.540 1.00 0.00 C ATOM 1054 C GLY A 63 -8.455 -14.875 16.115 1.00 0.00 C ATOM 1055 O GLY A 63 -9.414 -15.596 15.844 1.00 0.00 O ATOM 0 H GLY A 63 -5.364 -14.352 16.255 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.714 -16.089 15.717 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.278 -16.176 17.374 1.00 0.00 H new ATOM 1059 N VAL A 64 -8.522 -13.538 16.085 1.00 0.00 N ATOM 1060 CA VAL A 64 -9.771 -12.835 15.785 1.00 0.00 C ATOM 1061 C VAL A 64 -10.163 -13.021 14.304 1.00 0.00 C ATOM 1062 O VAL A 64 -9.377 -12.730 13.392 1.00 0.00 O ATOM 1063 CB VAL A 64 -9.629 -11.330 16.121 1.00 0.00 C ATOM 1064 CG1 VAL A 64 -8.734 -10.494 15.204 1.00 0.00 C ATOM 1065 CG2 VAL A 64 -11.008 -10.666 16.230 1.00 0.00 C ATOM 0 H VAL A 64 -7.727 -12.925 16.265 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.563 -13.261 16.402 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.108 -11.339 17.078 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -8.722 -9.461 15.551 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.720 -10.894 15.221 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.121 -10.531 14.186 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.885 -9.609 16.467 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.536 -10.767 15.282 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.584 -11.150 17.019 1.00 0.00 H new ATOM 1075 N LYS A 65 -11.384 -13.531 14.081 1.00 0.00 N ATOM 1076 CA LYS A 65 -11.914 -13.752 12.725 1.00 0.00 C ATOM 1077 C LYS A 65 -13.263 -13.023 12.554 1.00 0.00 C ATOM 1078 O LYS A 65 -14.327 -13.629 12.693 1.00 0.00 O ATOM 1079 CB LYS A 65 -12.099 -15.264 12.474 1.00 0.00 C ATOM 1080 CG LYS A 65 -10.792 -16.058 12.369 1.00 0.00 C ATOM 1081 CD LYS A 65 -11.037 -17.573 12.400 1.00 0.00 C ATOM 1082 CE LYS A 65 -9.719 -18.358 12.375 1.00 0.00 C ATOM 1083 NZ LYS A 65 -8.968 -18.149 11.118 1.00 0.00 N ATOM 0 H LYS A 65 -12.027 -13.800 14.826 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.204 -13.353 12.001 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.699 -15.682 13.282 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -12.666 -15.399 11.553 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.279 -15.792 11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.132 -15.780 13.191 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.599 -17.833 13.297 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.649 -17.861 11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.101 -18.054 13.220 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.928 -19.421 12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.138 -18.775 11.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.581 -18.366 10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.656 -17.159 11.060 1.00 0.00 H new ATOM 1097 N PRO A 66 -13.224 -11.690 12.327 1.00 0.00 N ATOM 1098 CA PRO A 66 -14.425 -10.859 12.298 1.00 0.00 C ATOM 1099 C PRO A 66 -15.198 -10.963 10.970 1.00 0.00 C ATOM 1100 O PRO A 66 -16.387 -10.651 10.916 1.00 0.00 O ATOM 1101 CB PRO A 66 -13.884 -9.437 12.498 1.00 0.00 C ATOM 1102 CG PRO A 66 -12.492 -9.475 11.867 1.00 0.00 C ATOM 1103 CD PRO A 66 -12.012 -10.891 12.180 1.00 0.00 C ATOM 0 HA PRO A 66 -15.143 -11.169 13.058 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.521 -8.697 12.014 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.836 -9.174 13.555 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.530 -9.290 10.794 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.833 -8.721 12.297 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -11.382 -11.278 11.379 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.416 -10.911 13.092 1.00 0.00 H new ATOM 1111 N PHE A 67 -14.519 -11.413 9.903 1.00 0.00 N ATOM 1112 CA PHE A 67 -15.146 -11.525 8.584 1.00 0.00 C ATOM 1113 C PHE A 67 -16.016 -12.798 8.501 1.00 0.00 C ATOM 1114 O PHE A 67 -15.572 -13.829 8.016 1.00 0.00 O ATOM 1115 CB PHE A 67 -14.060 -11.547 7.480 1.00 0.00 C ATOM 1116 CG PHE A 67 -13.292 -10.245 7.328 1.00 0.00 C ATOM 1117 CD1 PHE A 67 -13.818 -9.191 6.554 1.00 0.00 C ATOM 1118 CD2 PHE A 67 -12.054 -10.078 7.972 1.00 0.00 C ATOM 1119 CE1 PHE A 67 -13.129 -7.968 6.468 1.00 0.00 C ATOM 1120 CE2 PHE A 67 -11.349 -8.867 7.863 1.00 0.00 C ATOM 1121 CZ PHE A 67 -11.891 -7.808 7.116 1.00 0.00 C ATOM 0 H PHE A 67 -13.541 -11.703 9.931 1.00 0.00 H new ATOM 0 HA PHE A 67 -15.789 -10.658 8.432 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -13.354 -12.348 7.698 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.532 -11.789 6.528 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -14.751 -9.323 6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -11.641 -10.887 8.556 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -13.551 -7.150 5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.393 -8.751 8.352 1.00 0.00 H new ATOM 0 HZ PHE A 67 -11.358 -6.872 7.039 1.00 0.00 H new ATOM 1131 N GLN A 68 -17.227 -12.728 9.064 1.00 0.00 N ATOM 1132 CA GLN A 68 -18.131 -13.892 9.100 1.00 0.00 C ATOM 1133 C GLN A 68 -19.042 -13.915 7.865 1.00 0.00 C ATOM 1134 O GLN A 68 -19.680 -12.914 7.533 1.00 0.00 O ATOM 1135 CB GLN A 68 -18.994 -13.822 10.376 1.00 0.00 C ATOM 1136 CG GLN A 68 -20.035 -14.938 10.511 1.00 0.00 C ATOM 1137 CD GLN A 68 -20.780 -14.899 11.842 1.00 0.00 C ATOM 1138 OE1 GLN A 68 -20.774 -15.846 12.618 1.00 0.00 O ATOM 1139 NE2 GLN A 68 -21.479 -13.822 12.147 1.00 0.00 N ATOM 0 H GLN A 68 -17.605 -11.887 9.499 1.00 0.00 H new ATOM 0 HA GLN A 68 -17.531 -14.802 9.102 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -18.336 -13.851 11.244 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.508 -12.861 10.398 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.754 -14.857 9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -19.540 -15.904 10.406 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -21.493 -13.026 11.510 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -22.005 -13.786 13.020 1.00 0.00 H new ATOM 1148 N CYS A 69 -19.108 -15.080 7.196 1.00 0.00 N ATOM 1149 CA CYS A 69 -19.935 -15.237 5.997 1.00 0.00 C ATOM 1150 C CYS A 69 -21.426 -15.081 6.331 1.00 0.00 C ATOM 1151 O CYS A 69 -21.963 -15.776 7.199 1.00 0.00 O ATOM 1152 CB CYS A 69 -19.700 -16.613 5.362 1.00 0.00 C ATOM 1153 SG CYS A 69 -20.838 -16.721 3.942 1.00 0.00 S ATOM 0 H CYS A 69 -18.599 -15.921 7.468 1.00 0.00 H new ATOM 0 HA CYS A 69 -19.648 -14.457 5.292 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -18.664 -16.721 5.040 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -19.895 -17.411 6.079 1.00 0.00 H new ATOM 0 HG CYS A 69 -20.157 -16.677 2.836 1.00 0.00 H new ATOM 1158 N LYS A 70 -22.085 -14.166 5.614 1.00 0.00 N ATOM 1159 CA LYS A 70 -23.533 -13.926 5.761 1.00 0.00 C ATOM 1160 C LYS A 70 -24.380 -15.179 5.357 1.00 0.00 C ATOM 1161 O LYS A 70 -25.606 -15.149 5.444 1.00 0.00 O ATOM 1162 CB LYS A 70 -23.947 -12.711 4.883 1.00 0.00 C ATOM 1163 CG LYS A 70 -23.114 -12.445 3.599 1.00 0.00 C ATOM 1164 CD LYS A 70 -23.132 -13.588 2.569 1.00 0.00 C ATOM 1165 CE LYS A 70 -21.985 -13.544 1.548 1.00 0.00 C ATOM 1166 NZ LYS A 70 -20.682 -13.908 2.152 1.00 0.00 N ATOM 0 H LYS A 70 -21.637 -13.571 4.917 1.00 0.00 H new ATOM 0 HA LYS A 70 -23.732 -13.719 6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -24.988 -12.846 4.588 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -23.905 -11.816 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -23.488 -11.539 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -22.081 -12.251 3.887 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -23.093 -14.539 3.100 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -24.080 -13.562 2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -22.206 -14.226 0.727 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -21.919 -12.543 1.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -19.973 -14.030 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -20.376 -13.153 2.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -20.781 -14.797 2.682 1.00 0.00 H new ATOM 1180 N THR A 71 -23.711 -16.254 4.901 1.00 0.00 N ATOM 1181 CA THR A 71 -24.404 -17.473 4.428 1.00 0.00 C ATOM 1182 C THR A 71 -24.225 -18.629 5.423 1.00 0.00 C ATOM 1183 O THR A 71 -25.205 -19.165 5.937 1.00 0.00 O ATOM 1184 CB THR A 71 -23.868 -17.924 3.043 1.00 0.00 C ATOM 1185 OG1 THR A 71 -23.158 -16.916 2.360 1.00 0.00 O ATOM 1186 CG2 THR A 71 -25.010 -18.375 2.135 1.00 0.00 C ATOM 0 H THR A 71 -22.694 -16.306 4.849 1.00 0.00 H new ATOM 0 HA THR A 71 -25.462 -17.223 4.343 1.00 0.00 H new ATOM 0 HB THR A 71 -23.186 -18.746 3.259 1.00 0.00 H new ATOM 0 HG1 THR A 71 -22.317 -16.734 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 71 -24.607 -18.686 1.171 1.00 0.00 H new ATOM 0 HG22 THR A 71 -25.533 -19.212 2.597 1.00 0.00 H new ATOM 0 HG23 THR A 71 -25.706 -17.549 1.988 1.00 0.00 H new ATOM 1194 N CYS A 72 -22.964 -19.044 5.641 1.00 0.00 N ATOM 1195 CA CYS A 72 -22.659 -20.243 6.444 1.00 0.00 C ATOM 1196 C CYS A 72 -21.920 -19.874 7.754 1.00 0.00 C ATOM 1197 O CYS A 72 -21.508 -20.756 8.511 1.00 0.00 O ATOM 1198 CB CYS A 72 -21.794 -21.195 5.620 1.00 0.00 C ATOM 1199 SG CYS A 72 -20.340 -20.289 5.044 1.00 0.00 S ATOM 0 H CYS A 72 -22.140 -18.568 5.273 1.00 0.00 H new ATOM 0 HA CYS A 72 -23.600 -20.724 6.712 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -21.493 -22.052 6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -22.359 -21.584 4.773 1.00 0.00 H new ATOM 0 HG CYS A 72 -20.518 -19.922 3.809 1.00 0.00 H new ATOM 1204 N GLN A 73 -21.752 -18.563 7.997 1.00 0.00 N ATOM 1205 CA GLN A 73 -21.046 -18.049 9.191 1.00 0.00 C ATOM 1206 C GLN A 73 -19.559 -18.498 9.222 1.00 0.00 C ATOM 1207 O GLN A 73 -18.894 -18.379 10.255 1.00 0.00 O ATOM 1208 CB GLN A 73 -21.765 -18.503 10.486 1.00 0.00 C ATOM 1209 CG GLN A 73 -23.124 -17.809 10.658 1.00 0.00 C ATOM 1210 CD GLN A 73 -23.670 -17.981 12.074 1.00 0.00 C ATOM 1211 OE1 GLN A 73 -24.670 -18.640 12.306 1.00 0.00 O ATOM 1212 NE2 GLN A 73 -23.040 -17.394 13.077 1.00 0.00 N ATOM 0 H GLN A 73 -22.098 -17.831 7.377 1.00 0.00 H new ATOM 0 HA GLN A 73 -21.064 -16.961 9.134 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -21.909 -19.583 10.462 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -21.134 -18.285 11.348 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -23.022 -16.747 10.434 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -23.835 -18.219 9.941 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -22.203 -16.840 12.899 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -23.391 -17.495 14.029 1.00 0.00 H new ATOM 1221 N ARG A 74 -19.027 -18.932 8.063 1.00 0.00 N ATOM 1222 CA ARG A 74 -17.587 -19.212 7.928 1.00 0.00 C ATOM 1223 C ARG A 74 -16.779 -17.966 8.275 1.00 0.00 C ATOM 1224 O ARG A 74 -16.843 -16.960 7.569 1.00 0.00 O ATOM 1225 CB ARG A 74 -17.256 -19.662 6.490 1.00 0.00 C ATOM 1226 CG ARG A 74 -17.354 -21.185 6.283 1.00 0.00 C ATOM 1227 CD ARG A 74 -16.273 -22.005 7.016 1.00 0.00 C ATOM 1228 NE ARG A 74 -14.901 -21.612 6.631 1.00 0.00 N ATOM 1229 CZ ARG A 74 -14.028 -20.907 7.348 1.00 0.00 C ATOM 1230 NH1 ARG A 74 -14.240 -20.548 8.595 1.00 0.00 N ATOM 1231 NH2 ARG A 74 -12.918 -20.498 6.799 1.00 0.00 N ATOM 0 H ARG A 74 -19.569 -19.095 7.214 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.325 -20.015 8.616 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -17.935 -19.165 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.248 -19.334 6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -18.335 -21.521 6.618 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -17.291 -21.398 5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.394 -21.879 8.092 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.417 -23.064 6.801 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.587 -21.916 5.710 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.109 -20.810 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -13.535 -20.008 9.097 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.720 -20.718 5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.247 -19.958 7.346 1.00 0.00 H new ATOM 1245 N LYS A 75 -16.124 -17.996 9.438 1.00 0.00 N ATOM 1246 CA LYS A 75 -15.416 -16.830 9.953 1.00 0.00 C ATOM 1247 C LYS A 75 -13.980 -16.784 9.430 1.00 0.00 C ATOM 1248 O LYS A 75 -13.263 -17.789 9.451 1.00 0.00 O ATOM 1249 CB LYS A 75 -15.417 -16.861 11.493 1.00 0.00 C ATOM 1250 CG LYS A 75 -16.667 -16.127 12.001 1.00 0.00 C ATOM 1251 CD LYS A 75 -16.963 -16.333 13.492 1.00 0.00 C ATOM 1252 CE LYS A 75 -17.498 -17.733 13.825 1.00 0.00 C ATOM 1253 NZ LYS A 75 -18.790 -18.010 13.160 1.00 0.00 N ATOM 0 H LYS A 75 -16.071 -18.818 10.039 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.930 -15.933 9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.413 -17.891 11.850 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.516 -16.385 11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.549 -15.060 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.529 -16.460 11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.051 -16.156 14.063 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.691 -15.589 13.816 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -16.767 -18.482 13.520 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.619 -17.827 14.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.290 -18.763 13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -19.371 -17.148 13.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.618 -18.314 12.180 1.00 0.00 H new ATOM 1267 N PHE A 76 -13.572 -15.598 8.972 1.00 0.00 N ATOM 1268 CA PHE A 76 -12.237 -15.373 8.427 1.00 0.00 C ATOM 1269 C PHE A 76 -11.583 -14.151 9.099 1.00 0.00 C ATOM 1270 O PHE A 76 -12.272 -13.299 9.666 1.00 0.00 O ATOM 1271 CB PHE A 76 -12.332 -15.130 6.900 1.00 0.00 C ATOM 1272 CG PHE A 76 -12.940 -16.248 6.078 1.00 0.00 C ATOM 1273 CD1 PHE A 76 -12.121 -17.260 5.544 1.00 0.00 C ATOM 1274 CD2 PHE A 76 -14.323 -16.261 5.818 1.00 0.00 C ATOM 1275 CE1 PHE A 76 -12.690 -18.293 4.781 1.00 0.00 C ATOM 1276 CE2 PHE A 76 -14.895 -17.310 5.079 1.00 0.00 C ATOM 1277 CZ PHE A 76 -14.079 -18.340 4.585 1.00 0.00 C ATOM 0 H PHE A 76 -14.162 -14.766 8.970 1.00 0.00 H new ATOM 0 HA PHE A 76 -11.626 -16.255 8.622 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.917 -14.226 6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.329 -14.934 6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -11.056 -17.242 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -14.947 -15.461 6.188 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -12.058 -19.052 4.345 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -15.959 -17.324 4.892 1.00 0.00 H new ATOM 0 HZ PHE A 76 -14.521 -19.170 4.053 1.00 0.00 H new ATOM 1287 N SER A 77 -10.256 -14.042 8.971 1.00 0.00 N ATOM 1288 CA SER A 77 -9.520 -12.859 9.459 1.00 0.00 C ATOM 1289 C SER A 77 -9.107 -11.945 8.292 1.00 0.00 C ATOM 1290 O SER A 77 -8.396 -10.964 8.489 1.00 0.00 O ATOM 1291 CB SER A 77 -8.262 -13.298 10.230 1.00 0.00 C ATOM 1292 OG SER A 77 -8.557 -14.068 11.373 1.00 0.00 O ATOM 0 H SER A 77 -9.667 -14.753 8.536 1.00 0.00 H new ATOM 0 HA SER A 77 -10.182 -12.303 10.123 1.00 0.00 H new ATOM 0 HB2 SER A 77 -7.619 -13.875 9.566 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.699 -12.414 10.530 1.00 0.00 H new ATOM 0 HG SER A 77 -9.009 -13.507 12.038 1.00 0.00 H new ATOM 1298 N ARG A 78 -9.547 -12.287 7.072 1.00 0.00 N ATOM 1299 CA ARG A 78 -9.165 -11.542 5.872 1.00 0.00 C ATOM 1300 C ARG A 78 -10.371 -11.322 4.962 1.00 0.00 C ATOM 1301 O ARG A 78 -11.159 -12.241 4.715 1.00 0.00 O ATOM 1302 CB ARG A 78 -8.065 -12.306 5.116 1.00 0.00 C ATOM 1303 CG ARG A 78 -6.701 -11.921 5.714 1.00 0.00 C ATOM 1304 CD ARG A 78 -5.535 -12.821 5.314 1.00 0.00 C ATOM 1305 NE ARG A 78 -5.257 -12.786 3.872 1.00 0.00 N ATOM 1306 CZ ARG A 78 -4.079 -12.990 3.296 1.00 0.00 C ATOM 1307 NH1 ARG A 78 -2.971 -13.072 3.994 1.00 0.00 N ATOM 1308 NH2 ARG A 78 -4.024 -13.089 1.989 1.00 0.00 N ATOM 0 H ARG A 78 -10.168 -13.076 6.894 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.785 -10.566 6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.225 -13.381 5.200 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.095 -12.061 4.054 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.468 -10.899 5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.785 -11.925 6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.642 -12.515 5.859 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.754 -13.846 5.612 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.044 -12.586 3.255 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.000 -12.978 5.009 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.081 -13.229 3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.877 -13.009 1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.128 -13.246 1.527 1.00 0.00 H new ATOM 1322 N SER A 79 -10.469 -10.109 4.415 1.00 0.00 N ATOM 1323 CA SER A 79 -11.554 -9.751 3.504 1.00 0.00 C ATOM 1324 C SER A 79 -11.382 -10.446 2.149 1.00 0.00 C ATOM 1325 O SER A 79 -12.355 -10.848 1.529 1.00 0.00 O ATOM 1326 CB SER A 79 -11.584 -8.233 3.306 1.00 0.00 C ATOM 1327 OG SER A 79 -10.298 -7.762 2.939 1.00 0.00 O ATOM 0 H SER A 79 -9.805 -9.355 4.590 1.00 0.00 H new ATOM 0 HA SER A 79 -12.495 -10.081 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.308 -7.974 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.909 -7.745 4.225 1.00 0.00 H new ATOM 0 HG SER A 79 -10.329 -6.791 2.813 1.00 0.00 H new ATOM 1333 N ASP A 80 -10.125 -10.602 1.709 1.00 0.00 N ATOM 1334 CA ASP A 80 -9.819 -11.280 0.441 1.00 0.00 C ATOM 1335 C ASP A 80 -10.160 -12.798 0.523 1.00 0.00 C ATOM 1336 O ASP A 80 -10.708 -13.367 -0.420 1.00 0.00 O ATOM 1337 CB ASP A 80 -8.336 -11.082 0.096 1.00 0.00 C ATOM 1338 CG ASP A 80 -7.356 -11.507 1.189 1.00 0.00 C ATOM 1339 OD1 ASP A 80 -7.206 -10.723 2.152 1.00 0.00 O ATOM 1340 OD2 ASP A 80 -6.783 -12.615 1.073 1.00 0.00 O ATOM 0 H ASP A 80 -9.304 -10.268 2.213 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.433 -10.842 -0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.111 -11.644 -0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -8.169 -10.029 -0.131 1.00 0.00 H new ATOM 1345 N HIS A 81 -9.905 -13.406 1.696 1.00 0.00 N ATOM 1346 CA HIS A 81 -10.329 -14.800 1.964 1.00 0.00 C ATOM 1347 C HIS A 81 -11.861 -14.904 1.969 1.00 0.00 C ATOM 1348 O HIS A 81 -12.422 -15.814 1.375 1.00 0.00 O ATOM 1349 CB HIS A 81 -9.784 -15.285 3.321 1.00 0.00 C ATOM 1350 CG HIS A 81 -8.321 -15.578 3.452 1.00 0.00 C ATOM 1351 ND1 HIS A 81 -7.360 -15.500 2.482 1.00 0.00 N ATOM 1352 CD2 HIS A 81 -7.709 -15.948 4.615 1.00 0.00 C ATOM 1353 CE1 HIS A 81 -6.194 -15.826 3.061 1.00 0.00 C ATOM 1354 NE2 HIS A 81 -6.350 -16.035 4.372 1.00 0.00 N ATOM 0 H HIS A 81 -9.412 -12.961 2.470 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.926 -15.430 1.171 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.037 -14.530 4.066 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -10.327 -16.192 3.589 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -8.199 -16.139 5.558 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -5.253 -15.909 2.537 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -5.616 -16.221 5.055 1.00 0.00 H new ATOM 1362 N LEU A 82 -12.532 -13.954 2.646 1.00 0.00 N ATOM 1363 CA LEU A 82 -14.004 -13.947 2.720 1.00 0.00 C ATOM 1364 C LEU A 82 -14.626 -13.725 1.328 1.00 0.00 C ATOM 1365 O LEU A 82 -15.558 -14.426 0.943 1.00 0.00 O ATOM 1366 CB LEU A 82 -14.478 -12.848 3.682 1.00 0.00 C ATOM 1367 CG LEU A 82 -16.026 -12.805 3.762 1.00 0.00 C ATOM 1368 CD1 LEU A 82 -16.485 -12.632 5.201 1.00 0.00 C ATOM 1369 CD2 LEU A 82 -16.645 -11.676 2.926 1.00 0.00 C ATOM 0 H LEU A 82 -12.082 -13.187 3.146 1.00 0.00 H new ATOM 0 HA LEU A 82 -14.329 -14.919 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -14.064 -13.026 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -14.101 -11.881 3.348 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.366 -13.758 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.574 -12.604 5.235 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -16.125 -13.468 5.801 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.086 -11.700 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -17.730 -11.702 3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -16.271 -10.715 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -16.374 -11.808 1.879 1.00 0.00 H new ATOM 1381 N LYS A 83 -14.107 -12.737 0.589 1.00 0.00 N ATOM 1382 CA LYS A 83 -14.579 -12.443 -0.779 1.00 0.00 C ATOM 1383 C LYS A 83 -14.308 -13.628 -1.711 1.00 0.00 C ATOM 1384 O LYS A 83 -15.092 -13.910 -2.608 1.00 0.00 O ATOM 1385 CB LYS A 83 -13.873 -11.182 -1.312 1.00 0.00 C ATOM 1386 CG LYS A 83 -14.458 -10.659 -2.633 1.00 0.00 C ATOM 1387 CD LYS A 83 -13.848 -9.292 -2.984 1.00 0.00 C ATOM 1388 CE LYS A 83 -14.505 -8.650 -4.211 1.00 0.00 C ATOM 1389 NZ LYS A 83 -14.209 -9.396 -5.451 1.00 0.00 N ATOM 0 H LYS A 83 -13.359 -12.124 0.912 1.00 0.00 H new ATOM 0 HA LYS A 83 -15.655 -12.269 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.936 -10.395 -0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.815 -11.402 -1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.258 -11.371 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -15.541 -10.570 -2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.950 -8.623 -2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.780 -9.412 -3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.584 -8.606 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.155 -7.623 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.672 -8.928 -6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.181 -9.416 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.565 -10.369 -5.364 1.00 0.00 H new ATOM 1403 N THR A 84 -13.197 -14.329 -1.473 1.00 0.00 N ATOM 1404 CA THR A 84 -12.860 -15.537 -2.231 1.00 0.00 C ATOM 1405 C THR A 84 -13.830 -16.681 -1.888 1.00 0.00 C ATOM 1406 O THR A 84 -14.509 -17.215 -2.769 1.00 0.00 O ATOM 1407 CB THR A 84 -11.429 -15.983 -1.884 1.00 0.00 C ATOM 1408 OG1 THR A 84 -10.532 -15.019 -2.377 1.00 0.00 O ATOM 1409 CG2 THR A 84 -10.949 -17.363 -2.293 1.00 0.00 C ATOM 0 H THR A 84 -12.513 -14.080 -0.759 1.00 0.00 H new ATOM 0 HA THR A 84 -12.937 -15.307 -3.294 1.00 0.00 H new ATOM 0 HB THR A 84 -11.460 -16.068 -0.798 1.00 0.00 H new ATOM 0 HG1 THR A 84 -10.490 -14.263 -1.755 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.919 -17.502 -1.965 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.582 -18.120 -1.830 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.001 -17.460 -3.377 1.00 0.00 H new ATOM 1417 N HIS A 85 -14.019 -16.919 -0.582 1.00 0.00 N ATOM 1418 CA HIS A 85 -14.948 -17.942 -0.094 1.00 0.00 C ATOM 1419 C HIS A 85 -16.385 -17.619 -0.517 1.00 0.00 C ATOM 1420 O HIS A 85 -17.156 -18.515 -0.843 1.00 0.00 O ATOM 1421 CB HIS A 85 -14.862 -18.020 1.437 1.00 0.00 C ATOM 1422 CG HIS A 85 -16.102 -18.571 2.076 1.00 0.00 C ATOM 1423 ND1 HIS A 85 -16.531 -19.881 2.064 1.00 0.00 N ATOM 1424 CD2 HIS A 85 -17.107 -17.792 2.575 1.00 0.00 C ATOM 1425 CE1 HIS A 85 -17.801 -19.883 2.508 1.00 0.00 C ATOM 1426 NE2 HIS A 85 -18.174 -18.638 2.826 1.00 0.00 N ATOM 0 H HIS A 85 -13.535 -16.411 0.158 1.00 0.00 H new ATOM 0 HA HIS A 85 -14.671 -18.902 -0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -14.012 -18.643 1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -14.670 -17.023 1.834 1.00 0.00 H new ATOM 0 HD2 HIS A 85 -17.076 -16.725 2.741 1.00 0.00 H new ATOM 0 HE1 HIS A 85 -18.426 -20.759 2.595 1.00 0.00 H new ATOM 0 HE2 HIS A 85 -19.086 -18.360 3.190 1.00 0.00 H new ATOM 1434 N THR A 86 -16.697 -16.328 -0.595 1.00 0.00 N ATOM 1435 CA THR A 86 -18.014 -15.851 -1.021 1.00 0.00 C ATOM 1436 C THR A 86 -18.397 -16.451 -2.382 1.00 0.00 C ATOM 1437 O THR A 86 -19.549 -16.829 -2.596 1.00 0.00 O ATOM 1438 CB THR A 86 -18.031 -14.316 -1.112 1.00 0.00 C ATOM 1439 OG1 THR A 86 -17.955 -13.807 0.199 1.00 0.00 O ATOM 1440 CG2 THR A 86 -19.234 -13.646 -1.750 1.00 0.00 C ATOM 0 H THR A 86 -16.043 -15.580 -0.364 1.00 0.00 H new ATOM 0 HA THR A 86 -18.742 -16.172 -0.276 1.00 0.00 H new ATOM 0 HB THR A 86 -17.191 -14.091 -1.769 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.171 -14.182 0.651 1.00 0.00 H new ATOM 0 HG21 THR A 86 -19.097 -12.565 -1.739 1.00 0.00 H new ATOM 0 HG22 THR A 86 -19.338 -13.988 -2.780 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.133 -13.903 -1.190 1.00 0.00 H new ATOM 1448 N ARG A 87 -17.419 -16.542 -3.302 1.00 0.00 N ATOM 1449 CA ARG A 87 -17.671 -17.058 -4.665 1.00 0.00 C ATOM 1450 C ARG A 87 -18.156 -18.524 -4.627 1.00 0.00 C ATOM 1451 O ARG A 87 -18.858 -18.969 -5.530 1.00 0.00 O ATOM 1452 CB ARG A 87 -16.405 -16.953 -5.507 1.00 0.00 C ATOM 1453 CG ARG A 87 -15.865 -15.517 -5.620 1.00 0.00 C ATOM 1454 CD ARG A 87 -14.476 -15.489 -6.261 1.00 0.00 C ATOM 1455 NE ARG A 87 -13.992 -14.114 -6.451 1.00 0.00 N ATOM 1456 CZ ARG A 87 -14.205 -13.353 -7.516 1.00 0.00 C ATOM 1457 NH1 ARG A 87 -14.919 -13.754 -8.547 1.00 0.00 N ATOM 1458 NH2 ARG A 87 -13.684 -12.146 -7.564 1.00 0.00 N ATOM 0 H ARG A 87 -16.452 -16.267 -3.130 1.00 0.00 H new ATOM 0 HA ARG A 87 -18.456 -16.451 -5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -15.635 -17.590 -5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -16.609 -17.336 -6.507 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -16.553 -14.914 -6.213 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.819 -15.066 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -13.774 -16.038 -5.633 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -14.509 -15.999 -7.224 1.00 0.00 H new ATOM 0 HE ARG A 87 -13.442 -13.708 -5.694 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -15.335 -14.685 -8.548 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.056 -13.133 -9.345 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.121 -11.802 -6.786 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -13.843 -11.554 -8.379 1.00 0.00 H new ATOM 1472 N THR A 88 -17.838 -19.233 -3.536 1.00 0.00 N ATOM 1473 CA THR A 88 -18.385 -20.591 -3.295 1.00 0.00 C ATOM 1474 C THR A 88 -19.923 -20.571 -3.360 1.00 0.00 C ATOM 1475 O THR A 88 -20.541 -21.515 -3.844 1.00 0.00 O ATOM 1476 CB THR A 88 -17.967 -21.124 -1.907 1.00 0.00 C ATOM 1477 OG1 THR A 88 -16.609 -20.878 -1.640 1.00 0.00 O ATOM 1478 CG2 THR A 88 -18.224 -22.614 -1.720 1.00 0.00 C ATOM 0 H THR A 88 -17.209 -18.899 -2.806 1.00 0.00 H new ATOM 0 HA THR A 88 -17.983 -21.243 -4.071 1.00 0.00 H new ATOM 0 HB THR A 88 -18.597 -20.576 -1.206 1.00 0.00 H new ATOM 0 HG1 THR A 88 -16.518 -20.027 -1.162 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.905 -22.916 -0.722 1.00 0.00 H new ATOM 0 HG22 THR A 88 -19.288 -22.817 -1.838 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.662 -23.177 -2.466 1.00 0.00 H new ATOM 1486 N HIS A 89 -20.525 -19.469 -2.884 1.00 0.00 N ATOM 1487 CA HIS A 89 -21.979 -19.292 -2.924 1.00 0.00 C ATOM 1488 C HIS A 89 -22.416 -18.494 -4.178 1.00 0.00 C ATOM 1489 O HIS A 89 -23.517 -18.689 -4.687 1.00 0.00 O ATOM 1490 CB HIS A 89 -22.444 -18.552 -1.659 1.00 0.00 C ATOM 1491 CG HIS A 89 -22.005 -19.197 -0.366 1.00 0.00 C ATOM 1492 ND1 HIS A 89 -22.282 -20.485 0.043 1.00 0.00 N ATOM 1493 CD2 HIS A 89 -21.294 -18.590 0.635 1.00 0.00 C ATOM 1494 CE1 HIS A 89 -21.760 -20.639 1.274 1.00 0.00 C ATOM 1495 NE2 HIS A 89 -21.158 -19.512 1.671 1.00 0.00 N ATOM 0 H HIS A 89 -20.022 -18.686 -2.466 1.00 0.00 H new ATOM 0 HA HIS A 89 -22.439 -20.279 -2.970 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -22.064 -17.531 -1.689 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -23.532 -18.488 -1.669 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -22.789 -21.191 -0.490 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -20.909 -17.581 0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -21.819 -21.545 1.859 1.00 0.00 H new ATOM 1503 N THR A 90 -21.568 -17.542 -4.618 1.00 0.00 N ATOM 1504 CA THR A 90 -21.993 -16.573 -5.663 1.00 0.00 C ATOM 1505 C THR A 90 -21.658 -17.066 -7.082 1.00 0.00 C ATOM 1506 O THR A 90 -22.117 -16.480 -8.059 1.00 0.00 O ATOM 1507 CB THR A 90 -21.325 -15.202 -5.463 1.00 0.00 C ATOM 1508 OG1 THR A 90 -19.976 -15.111 -5.793 1.00 0.00 O ATOM 1509 CG2 THR A 90 -21.633 -14.568 -4.108 1.00 0.00 C ATOM 0 H THR A 90 -20.613 -17.420 -4.282 1.00 0.00 H new ATOM 0 HA THR A 90 -23.074 -16.480 -5.560 1.00 0.00 H new ATOM 0 HB THR A 90 -21.815 -14.598 -6.227 1.00 0.00 H new ATOM 0 HG1 THR A 90 -19.762 -14.188 -6.042 1.00 0.00 H new ATOM 0 HG21 THR A 90 -21.130 -13.604 -4.035 1.00 0.00 H new ATOM 0 HG22 THR A 90 -22.709 -14.425 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 90 -21.280 -15.223 -3.311 1.00 0.00 H new ATOM 1517 N GLY A 91 -20.939 -18.195 -7.191 1.00 0.00 N ATOM 1518 CA GLY A 91 -20.696 -18.826 -8.503 1.00 0.00 C ATOM 1519 C GLY A 91 -19.757 -17.995 -9.409 1.00 0.00 C ATOM 1520 O GLY A 91 -19.507 -18.370 -10.554 1.00 0.00 O ATOM 0 H GLY A 91 -20.520 -18.685 -6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -20.263 -19.814 -8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -21.649 -18.971 -9.012 1.00 0.00 H new ATOM 1524 N GLU A 92 -19.256 -16.864 -8.890 1.00 0.00 N ATOM 1525 CA GLU A 92 -18.386 -15.971 -9.663 1.00 0.00 C ATOM 1526 C GLU A 92 -17.005 -16.617 -9.885 1.00 0.00 C ATOM 1527 O GLU A 92 -16.096 -16.466 -9.062 1.00 0.00 O ATOM 1528 CB GLU A 92 -18.222 -14.633 -8.926 1.00 0.00 C ATOM 1529 CG GLU A 92 -19.503 -13.793 -8.888 1.00 0.00 C ATOM 1530 CD GLU A 92 -19.302 -12.595 -7.959 1.00 0.00 C ATOM 1531 OE1 GLU A 92 -19.571 -12.769 -6.745 1.00 0.00 O ATOM 1532 OE2 GLU A 92 -18.847 -11.544 -8.460 1.00 0.00 O ATOM 0 H GLU A 92 -19.440 -16.548 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 92 -18.848 -15.794 -10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -17.895 -14.828 -7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -17.433 -14.056 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -19.755 -13.450 -9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -20.338 -14.400 -8.540 1.00 0.00 H new ATOM 1539 N LYS A 93 -16.856 -17.313 -11.025 1.00 0.00 N ATOM 1540 CA LYS A 93 -15.601 -17.993 -11.377 1.00 0.00 C ATOM 1541 C LYS A 93 -15.033 -17.423 -12.696 1.00 0.00 C ATOM 1542 O LYS A 93 -15.295 -17.956 -13.773 1.00 0.00 O ATOM 1543 CB LYS A 93 -15.853 -19.513 -11.524 1.00 0.00 C ATOM 1544 CG LYS A 93 -16.228 -20.193 -10.191 1.00 0.00 C ATOM 1545 CD LYS A 93 -17.052 -21.472 -10.367 1.00 0.00 C ATOM 1546 CE LYS A 93 -16.270 -22.564 -11.100 1.00 0.00 C ATOM 1547 NZ LYS A 93 -17.048 -23.814 -11.197 1.00 0.00 N ATOM 0 H LYS A 93 -17.594 -17.419 -11.721 1.00 0.00 H new ATOM 0 HA LYS A 93 -14.874 -17.824 -10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -16.653 -19.675 -12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -14.958 -19.987 -11.928 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -15.315 -20.431 -9.644 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -16.792 -19.489 -9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -17.360 -21.842 -9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -17.962 -21.243 -10.922 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -16.010 -22.218 -12.100 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -15.334 -22.757 -10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -16.489 -24.533 -11.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -17.275 -24.157 -10.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -17.930 -23.635 -11.719 1.00 0.00 H new ATOM 1561 N PRO A 94 -14.315 -16.280 -12.623 1.00 0.00 N ATOM 1562 CA PRO A 94 -13.866 -15.554 -13.808 1.00 0.00 C ATOM 1563 C PRO A 94 -12.587 -16.143 -14.433 1.00 0.00 C ATOM 1564 O PRO A 94 -12.266 -15.853 -15.585 1.00 0.00 O ATOM 1565 CB PRO A 94 -13.603 -14.136 -13.282 1.00 0.00 C ATOM 1566 CG PRO A 94 -13.154 -14.364 -11.837 1.00 0.00 C ATOM 1567 CD PRO A 94 -14.012 -15.549 -11.398 1.00 0.00 C ATOM 0 HA PRO A 94 -14.607 -15.601 -14.606 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.834 -13.629 -13.865 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -14.500 -13.518 -13.330 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.090 -14.591 -11.775 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.329 -13.486 -11.216 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.478 -16.179 -10.686 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -14.924 -15.213 -10.905 1.00 0.00 H new ATOM 1575 N PHE A 95 -11.846 -16.955 -13.661 1.00 0.00 N ATOM 1576 CA PHE A 95 -10.557 -17.491 -14.128 1.00 0.00 C ATOM 1577 C PHE A 95 -10.765 -18.724 -15.024 1.00 0.00 C ATOM 1578 O PHE A 95 -10.584 -19.858 -14.589 1.00 0.00 O ATOM 1579 CB PHE A 95 -9.669 -17.853 -12.930 1.00 0.00 C ATOM 1580 CG PHE A 95 -9.365 -16.672 -12.045 1.00 0.00 C ATOM 1581 CD1 PHE A 95 -8.395 -15.726 -12.427 1.00 0.00 C ATOM 1582 CD2 PHE A 95 -10.096 -16.491 -10.863 1.00 0.00 C ATOM 1583 CE1 PHE A 95 -8.148 -14.604 -11.615 1.00 0.00 C ATOM 1584 CE2 PHE A 95 -9.856 -15.365 -10.056 1.00 0.00 C ATOM 1585 CZ PHE A 95 -8.889 -14.418 -10.434 1.00 0.00 C ATOM 0 H PHE A 95 -12.113 -17.252 -12.722 1.00 0.00 H new ATOM 0 HA PHE A 95 -10.062 -16.720 -14.718 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.162 -18.625 -12.339 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.733 -18.278 -13.293 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.840 -15.862 -13.344 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.843 -17.215 -10.573 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.391 -13.887 -11.898 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -10.416 -15.227 -9.143 1.00 0.00 H new ATOM 0 HZ PHE A 95 -8.715 -13.548 -9.818 1.00 0.00 H new ATOM 1595 N SER A 96 -11.114 -18.481 -16.288 1.00 0.00 N ATOM 1596 CA SER A 96 -11.279 -19.559 -17.276 1.00 0.00 C ATOM 1597 C SER A 96 -9.932 -20.025 -17.790 1.00 0.00 C ATOM 1598 O SER A 96 -9.030 -19.217 -18.008 1.00 0.00 O ATOM 1599 CB SER A 96 -12.114 -19.059 -18.461 1.00 0.00 C ATOM 1600 OG SER A 96 -12.232 -20.050 -19.477 1.00 0.00 O ATOM 0 H SER A 96 -11.289 -17.546 -16.657 1.00 0.00 H new ATOM 0 HA SER A 96 -11.785 -20.392 -16.788 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.107 -18.775 -18.112 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.654 -18.163 -18.878 1.00 0.00 H new ATOM 0 HG SER A 96 -11.371 -20.155 -19.933 1.00 0.00 H new ATOM 1606 N CYS A 97 -9.833 -21.323 -18.084 1.00 0.00 N ATOM 1607 CA CYS A 97 -8.676 -21.865 -18.786 1.00 0.00 C ATOM 1608 C CYS A 97 -8.673 -21.400 -20.250 1.00 0.00 C ATOM 1609 O CYS A 97 -9.688 -20.905 -20.765 1.00 0.00 O ATOM 1610 CB CYS A 97 -8.688 -23.399 -18.725 1.00 0.00 C ATOM 1611 SG CYS A 97 -7.117 -24.114 -19.248 1.00 0.00 S ATOM 0 H CYS A 97 -10.542 -22.016 -17.845 1.00 0.00 H new ATOM 0 HA CYS A 97 -7.773 -21.498 -18.298 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -8.910 -23.719 -17.707 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -9.488 -23.780 -19.360 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.307 -25.338 -19.642 1.00 0.00 H new ATOM 1616 N ARG A 98 -7.498 -21.494 -20.885 1.00 0.00 N ATOM 1617 CA ARG A 98 -7.296 -21.016 -22.264 1.00 0.00 C ATOM 1618 C ARG A 98 -6.722 -22.135 -23.152 1.00 0.00 C ATOM 1619 O ARG A 98 -6.358 -21.895 -24.303 1.00 0.00 O ATOM 1620 CB ARG A 98 -6.325 -19.810 -22.268 1.00 0.00 C ATOM 1621 CG ARG A 98 -6.786 -18.526 -21.551 1.00 0.00 C ATOM 1622 CD ARG A 98 -6.666 -18.527 -20.018 1.00 0.00 C ATOM 1623 NE ARG A 98 -5.314 -18.826 -19.514 1.00 0.00 N ATOM 1624 CZ ARG A 98 -4.273 -18.011 -19.426 1.00 0.00 C ATOM 1625 NH1 ARG A 98 -4.282 -16.784 -19.901 1.00 0.00 N ATOM 1626 NH2 ARG A 98 -3.186 -18.442 -18.833 1.00 0.00 N ATOM 0 H ARG A 98 -6.663 -21.901 -20.463 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.263 -20.711 -22.664 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.387 -20.131 -21.814 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.107 -19.557 -23.305 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.206 -17.689 -21.940 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -7.828 -18.342 -21.813 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.974 -17.552 -19.641 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.363 -19.260 -19.612 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.160 -19.782 -19.192 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.117 -16.422 -20.362 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.454 -16.195 -19.808 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -3.154 -19.387 -18.451 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -2.372 -17.832 -18.754 1.00 0.00 H new ATOM 1640 N TRP A 99 -6.608 -23.346 -22.591 1.00 0.00 N ATOM 1641 CA TRP A 99 -6.027 -24.478 -23.308 1.00 0.00 C ATOM 1642 C TRP A 99 -6.897 -24.858 -24.532 1.00 0.00 C ATOM 1643 O TRP A 99 -8.117 -24.679 -24.517 1.00 0.00 O ATOM 1644 CB TRP A 99 -5.890 -25.679 -22.360 1.00 0.00 C ATOM 1645 CG TRP A 99 -4.603 -25.653 -21.584 1.00 0.00 C ATOM 1646 CD1 TRP A 99 -4.234 -24.682 -20.718 1.00 0.00 C ATOM 1647 CD2 TRP A 99 -3.478 -26.587 -21.625 1.00 0.00 C ATOM 1648 NE1 TRP A 99 -2.978 -24.947 -20.216 1.00 0.00 N ATOM 1649 CE2 TRP A 99 -2.455 -26.101 -20.756 1.00 0.00 C ATOM 1650 CE3 TRP A 99 -3.213 -27.792 -22.314 1.00 0.00 C ATOM 1651 CZ2 TRP A 99 -1.227 -26.762 -20.591 1.00 0.00 C ATOM 1652 CZ3 TRP A 99 -1.991 -28.473 -22.145 1.00 0.00 C ATOM 1653 CH2 TRP A 99 -0.998 -27.960 -21.289 1.00 0.00 C ATOM 0 H TRP A 99 -6.912 -23.562 -21.642 1.00 0.00 H new ATOM 0 HA TRP A 99 -5.039 -24.192 -23.669 1.00 0.00 H new ATOM 0 HB2 TRP A 99 -6.730 -25.688 -21.665 1.00 0.00 H new ATOM 0 HB3 TRP A 99 -5.944 -26.602 -22.937 1.00 0.00 H new ATOM 0 HD1 TRP A 99 -4.836 -23.824 -20.458 1.00 0.00 H new ATOM 0 HE1 TRP A 99 -2.497 -24.363 -19.532 1.00 0.00 H new ATOM 0 HE3 TRP A 99 -3.959 -28.198 -22.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 -0.470 -26.356 -19.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 -1.815 -29.396 -22.677 1.00 0.00 H new ATOM 0 HH2 TRP A 99 -0.062 -28.486 -21.169 1.00 0.00 H new ATOM 1664 N PRO A 100 -6.262 -25.391 -25.605 1.00 0.00 N ATOM 1665 CA PRO A 100 -6.941 -25.667 -26.887 1.00 0.00 C ATOM 1666 C PRO A 100 -7.891 -26.891 -26.822 1.00 0.00 C ATOM 1667 O PRO A 100 -8.199 -27.506 -27.845 1.00 0.00 O ATOM 1668 CB PRO A 100 -5.777 -25.927 -27.860 1.00 0.00 C ATOM 1669 CG PRO A 100 -4.659 -26.470 -26.970 1.00 0.00 C ATOM 1670 CD PRO A 100 -4.834 -25.664 -25.685 1.00 0.00 C ATOM 0 HA PRO A 100 -7.587 -24.841 -27.185 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.056 -26.644 -28.632 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -5.472 -25.013 -28.370 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -4.765 -27.541 -26.794 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.676 -26.315 -27.415 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -4.490 -26.226 -24.817 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -4.256 -24.740 -25.716 1.00 0.00 H new ATOM 1678 N SER A 101 -8.353 -27.227 -25.615 1.00 0.00 N ATOM 1679 CA SER A 101 -9.318 -28.319 -25.418 1.00 0.00 C ATOM 1680 C SER A 101 -9.995 -28.208 -24.037 1.00 0.00 C ATOM 1681 O SER A 101 -10.416 -29.213 -23.465 1.00 0.00 O ATOM 1682 CB SER A 101 -8.606 -29.677 -25.539 1.00 0.00 C ATOM 1683 OG SER A 101 -8.213 -29.892 -26.881 1.00 0.00 O ATOM 0 H SER A 101 -8.074 -26.757 -24.753 1.00 0.00 H new ATOM 0 HA SER A 101 -10.085 -28.242 -26.188 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.733 -29.700 -24.886 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.270 -30.477 -25.212 1.00 0.00 H new ATOM 0 HG SER A 101 -8.531 -29.151 -27.438 1.00 0.00 H new ATOM 1689 N CYS A 102 -10.081 -26.972 -23.505 1.00 0.00 N ATOM 1690 CA CYS A 102 -10.654 -26.735 -22.181 1.00 0.00 C ATOM 1691 C CYS A 102 -11.536 -25.478 -22.175 1.00 0.00 C ATOM 1692 O CYS A 102 -11.292 -24.524 -22.921 1.00 0.00 O ATOM 1693 CB CYS A 102 -9.530 -26.576 -21.156 1.00 0.00 C ATOM 1694 SG CYS A 102 -10.230 -26.376 -19.497 1.00 0.00 S ATOM 0 H CYS A 102 -9.759 -26.128 -23.978 1.00 0.00 H new ATOM 0 HA CYS A 102 -11.276 -27.591 -21.920 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -8.877 -27.448 -21.182 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -8.916 -25.711 -21.408 1.00 0.00 H new ATOM 0 HG CYS A 102 -9.294 -26.534 -18.609 1.00 0.00 H new ATOM 1699 N GLN A 103 -12.519 -25.469 -21.267 1.00 0.00 N ATOM 1700 CA GLN A 103 -13.337 -24.282 -20.993 1.00 0.00 C ATOM 1701 C GLN A 103 -13.735 -24.249 -19.495 1.00 0.00 C ATOM 1702 O GLN A 103 -14.827 -23.799 -19.142 1.00 0.00 O ATOM 1703 CB GLN A 103 -14.609 -24.294 -21.882 1.00 0.00 C ATOM 1704 CG GLN A 103 -14.385 -23.895 -23.349 1.00 0.00 C ATOM 1705 CD GLN A 103 -13.906 -22.451 -23.488 1.00 0.00 C ATOM 1706 OE1 GLN A 103 -14.690 -21.514 -23.510 1.00 0.00 O ATOM 1707 NE2 GLN A 103 -12.610 -22.219 -23.548 1.00 0.00 N ATOM 0 H GLN A 103 -12.769 -26.281 -20.703 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.755 -23.390 -21.225 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -15.042 -25.294 -21.856 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -15.344 -23.617 -21.446 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.651 -24.564 -23.798 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -15.314 -24.023 -23.904 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -11.951 -22.997 -23.530 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -12.266 -21.261 -23.612 1.00 0.00 H new ATOM 1716 N LYS A 104 -12.845 -24.764 -18.629 1.00 0.00 N ATOM 1717 CA LYS A 104 -13.111 -24.838 -17.189 1.00 0.00 C ATOM 1718 C LYS A 104 -12.838 -23.497 -16.531 1.00 0.00 C ATOM 1719 O LYS A 104 -11.915 -22.784 -16.919 1.00 0.00 O ATOM 1720 CB LYS A 104 -12.226 -25.918 -16.546 1.00 0.00 C ATOM 1721 CG LYS A 104 -12.571 -27.325 -17.065 1.00 0.00 C ATOM 1722 CD LYS A 104 -11.640 -28.385 -16.459 1.00 0.00 C ATOM 1723 CE LYS A 104 -11.473 -29.595 -17.385 1.00 0.00 C ATOM 1724 NZ LYS A 104 -10.547 -29.302 -18.501 1.00 0.00 N ATOM 0 H LYS A 104 -11.936 -25.134 -18.905 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.160 -25.097 -17.043 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -11.178 -25.701 -16.755 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.348 -25.890 -15.463 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -13.606 -27.563 -16.818 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -12.490 -27.345 -18.152 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.664 -27.941 -16.262 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.040 -28.714 -15.500 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.097 -30.443 -16.813 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.445 -29.885 -17.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -10.847 -29.826 -19.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.558 -28.282 -18.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -9.584 -29.592 -18.238 1.00 0.00 H new ATOM 1738 N LYS A 105 -13.664 -23.145 -15.539 1.00 0.00 N ATOM 1739 CA LYS A 105 -13.565 -21.848 -14.864 1.00 0.00 C ATOM 1740 C LYS A 105 -13.269 -22.033 -13.377 1.00 0.00 C ATOM 1741 O LYS A 105 -13.822 -22.924 -12.731 1.00 0.00 O ATOM 1742 CB LYS A 105 -14.888 -21.071 -15.032 1.00 0.00 C ATOM 1743 CG LYS A 105 -15.052 -20.239 -16.318 1.00 0.00 C ATOM 1744 CD LYS A 105 -14.991 -21.066 -17.607 1.00 0.00 C ATOM 1745 CE LYS A 105 -15.467 -20.278 -18.829 1.00 0.00 C ATOM 1746 NZ LYS A 105 -15.045 -20.954 -20.071 1.00 0.00 N ATOM 0 H LYS A 105 -14.411 -23.743 -15.186 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.748 -21.286 -15.316 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -15.709 -21.786 -14.984 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.998 -20.401 -14.179 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.007 -19.714 -16.280 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.271 -19.479 -16.349 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.967 -21.403 -17.771 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -15.606 -21.959 -17.492 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -16.553 -20.184 -18.809 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -15.059 -19.268 -18.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.646 -20.639 -20.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.053 -20.717 -20.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -15.138 -21.983 -19.955 1.00 0.00 H new ATOM 1760 N PHE A 106 -12.445 -21.140 -12.830 1.00 0.00 N ATOM 1761 CA PHE A 106 -12.108 -21.145 -11.396 1.00 0.00 C ATOM 1762 C PHE A 106 -12.399 -19.784 -10.772 1.00 0.00 C ATOM 1763 O PHE A 106 -12.540 -18.782 -11.476 1.00 0.00 O ATOM 1764 CB PHE A 106 -10.620 -21.498 -11.208 1.00 0.00 C ATOM 1765 CG PHE A 106 -10.286 -22.845 -11.816 1.00 0.00 C ATOM 1766 CD1 PHE A 106 -10.548 -24.030 -11.102 1.00 0.00 C ATOM 1767 CD2 PHE A 106 -9.833 -22.915 -13.146 1.00 0.00 C ATOM 1768 CE1 PHE A 106 -10.399 -25.278 -11.732 1.00 0.00 C ATOM 1769 CE2 PHE A 106 -9.705 -24.157 -13.784 1.00 0.00 C ATOM 1770 CZ PHE A 106 -10.000 -25.338 -13.080 1.00 0.00 C ATOM 0 H PHE A 106 -11.992 -20.395 -13.359 1.00 0.00 H new ATOM 0 HA PHE A 106 -12.723 -21.895 -10.898 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -10.002 -20.727 -11.668 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -10.379 -21.508 -10.145 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -10.863 -23.980 -10.070 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.583 -22.009 -13.678 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -10.590 -26.188 -11.183 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -9.381 -24.206 -14.813 1.00 0.00 H new ATOM 0 HZ PHE A 106 -9.920 -26.294 -13.576 1.00 0.00 H new ATOM 1780 N ALA A 107 -12.501 -19.756 -9.443 1.00 0.00 N ATOM 1781 CA ALA A 107 -12.811 -18.528 -8.716 1.00 0.00 C ATOM 1782 C ALA A 107 -11.539 -17.905 -8.125 1.00 0.00 C ATOM 1783 O ALA A 107 -11.588 -16.823 -7.523 1.00 0.00 O ATOM 1784 CB ALA A 107 -13.812 -18.837 -7.601 1.00 0.00 C ATOM 0 H ALA A 107 -12.373 -20.574 -8.847 1.00 0.00 H new ATOM 0 HA ALA A 107 -13.247 -17.810 -9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -14.045 -17.922 -7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -14.726 -19.244 -8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -13.380 -19.566 -6.916 1.00 0.00 H new ATOM 1790 N ARG A 108 -10.388 -18.569 -8.341 1.00 0.00 N ATOM 1791 CA ARG A 108 -9.100 -18.050 -7.885 1.00 0.00 C ATOM 1792 C ARG A 108 -8.062 -18.137 -8.992 1.00 0.00 C ATOM 1793 O ARG A 108 -7.963 -19.153 -9.702 1.00 0.00 O ATOM 1794 CB ARG A 108 -8.626 -18.842 -6.669 1.00 0.00 C ATOM 1795 CG ARG A 108 -9.480 -18.605 -5.409 1.00 0.00 C ATOM 1796 CD ARG A 108 -9.358 -19.757 -4.414 1.00 0.00 C ATOM 1797 NE ARG A 108 -7.954 -20.036 -4.088 1.00 0.00 N ATOM 1798 CZ ARG A 108 -7.474 -20.473 -2.935 1.00 0.00 C ATOM 1799 NH1 ARG A 108 -8.236 -20.576 -1.876 1.00 0.00 N ATOM 1800 NH2 ARG A 108 -6.213 -20.810 -2.896 1.00 0.00 N ATOM 0 H ARG A 108 -10.331 -19.463 -8.828 1.00 0.00 H new ATOM 0 HA ARG A 108 -9.226 -17.003 -7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.637 -19.905 -6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.592 -18.575 -6.452 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.170 -17.677 -4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.524 -18.482 -5.696 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -9.903 -19.512 -3.502 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.821 -20.651 -4.832 1.00 0.00 H new ATOM 0 HE ARG A 108 -7.274 -19.875 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.221 -20.317 -1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.845 -20.915 -0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.638 -20.731 -3.735 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -5.803 -21.152 -2.027 1.00 0.00 H new ATOM 1814 N SER A 109 -7.250 -17.091 -9.107 1.00 0.00 N ATOM 1815 CA SER A 109 -6.172 -17.043 -10.087 1.00 0.00 C ATOM 1816 C SER A 109 -5.221 -18.228 -9.902 1.00 0.00 C ATOM 1817 O SER A 109 -4.873 -18.910 -10.855 1.00 0.00 O ATOM 1818 CB SER A 109 -5.400 -15.725 -9.940 1.00 0.00 C ATOM 1819 OG SER A 109 -5.164 -15.407 -8.588 1.00 0.00 O ATOM 0 H SER A 109 -7.321 -16.256 -8.526 1.00 0.00 H new ATOM 0 HA SER A 109 -6.604 -17.101 -11.086 1.00 0.00 H new ATOM 0 HB2 SER A 109 -4.449 -15.800 -10.468 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.963 -14.919 -10.410 1.00 0.00 H new ATOM 0 HG SER A 109 -4.669 -14.563 -8.532 1.00 0.00 H new ATOM 1825 N ASP A 110 -4.856 -18.515 -8.648 1.00 0.00 N ATOM 1826 CA ASP A 110 -3.951 -19.624 -8.328 1.00 0.00 C ATOM 1827 C ASP A 110 -4.613 -21.003 -8.623 1.00 0.00 C ATOM 1828 O ASP A 110 -3.922 -21.935 -9.030 1.00 0.00 O ATOM 1829 CB ASP A 110 -3.504 -19.556 -6.855 1.00 0.00 C ATOM 1830 CG ASP A 110 -4.572 -19.370 -5.769 1.00 0.00 C ATOM 1831 OD1 ASP A 110 -5.614 -20.063 -5.805 1.00 0.00 O ATOM 1832 OD2 ASP A 110 -4.296 -18.562 -4.854 1.00 0.00 O ATOM 0 H ASP A 110 -5.176 -17.991 -7.833 1.00 0.00 H new ATOM 0 HA ASP A 110 -3.074 -19.525 -8.968 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.962 -20.475 -6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -2.793 -18.735 -6.763 1.00 0.00 H new ATOM 1837 N GLU A 111 -5.935 -21.116 -8.440 1.00 0.00 N ATOM 1838 CA GLU A 111 -6.664 -22.352 -8.806 1.00 0.00 C ATOM 1839 C GLU A 111 -6.533 -22.613 -10.310 1.00 0.00 C ATOM 1840 O GLU A 111 -6.278 -23.743 -10.730 1.00 0.00 O ATOM 1841 CB GLU A 111 -8.162 -22.243 -8.433 1.00 0.00 C ATOM 1842 CG GLU A 111 -8.445 -22.694 -6.990 1.00 0.00 C ATOM 1843 CD GLU A 111 -9.947 -22.731 -6.627 1.00 0.00 C ATOM 1844 OE1 GLU A 111 -10.734 -22.046 -7.320 1.00 0.00 O ATOM 1845 OE2 GLU A 111 -10.273 -23.410 -5.624 1.00 0.00 O ATOM 0 H GLU A 111 -6.522 -20.380 -8.046 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.224 -23.180 -8.250 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.490 -21.211 -8.558 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.750 -22.850 -9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.021 -23.687 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.932 -22.021 -6.303 1.00 0.00 H new ATOM 1852 N LEU A 112 -6.630 -21.541 -11.119 1.00 0.00 N ATOM 1853 CA LEU A 112 -6.390 -21.651 -12.565 1.00 0.00 C ATOM 1854 C LEU A 112 -4.905 -22.019 -12.854 1.00 0.00 C ATOM 1855 O LEU A 112 -4.626 -22.894 -13.673 1.00 0.00 O ATOM 1856 CB LEU A 112 -6.752 -20.335 -13.269 1.00 0.00 C ATOM 1857 CG LEU A 112 -6.473 -20.361 -14.781 1.00 0.00 C ATOM 1858 CD1 LEU A 112 -7.268 -21.458 -15.487 1.00 0.00 C ATOM 1859 CD2 LEU A 112 -6.811 -19.019 -15.431 1.00 0.00 C ATOM 0 H LEU A 112 -6.870 -20.603 -10.799 1.00 0.00 H new ATOM 0 HA LEU A 112 -7.025 -22.447 -12.954 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.808 -20.121 -13.104 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.187 -19.520 -12.816 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.408 -20.565 -14.892 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.042 -21.442 -16.553 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.996 -22.429 -15.073 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.334 -21.287 -15.339 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.603 -19.070 -16.500 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.867 -18.796 -15.277 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.205 -18.233 -14.980 1.00 0.00 H new ATOM 1871 N VAL A 113 -3.967 -21.355 -12.151 1.00 0.00 N ATOM 1872 CA VAL A 113 -2.517 -21.666 -12.299 1.00 0.00 C ATOM 1873 C VAL A 113 -2.252 -23.145 -11.975 1.00 0.00 C ATOM 1874 O VAL A 113 -1.520 -23.825 -12.691 1.00 0.00 O ATOM 1875 CB VAL A 113 -1.676 -20.770 -11.347 1.00 0.00 C ATOM 1876 CG1 VAL A 113 -0.184 -21.150 -11.345 1.00 0.00 C ATOM 1877 CG2 VAL A 113 -1.742 -19.275 -11.675 1.00 0.00 C ATOM 0 H VAL A 113 -4.174 -20.611 -11.484 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.227 -21.468 -13.331 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.130 -20.950 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.358 -20.494 -10.664 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.072 -22.184 -11.018 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.220 -21.042 -12.351 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -1.129 -18.719 -10.965 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.369 -19.107 -12.685 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -2.775 -18.933 -11.608 1.00 0.00 H new ATOM 1887 N ARG A 114 -2.911 -23.645 -10.920 1.00 0.00 N ATOM 1888 CA ARG A 114 -2.814 -25.052 -10.548 1.00 0.00 C ATOM 1889 C ARG A 114 -3.416 -25.940 -11.642 1.00 0.00 C ATOM 1890 O ARG A 114 -2.767 -26.872 -12.107 1.00 0.00 O ATOM 1891 CB ARG A 114 -3.540 -25.298 -9.217 1.00 0.00 C ATOM 1892 CG ARG A 114 -3.484 -26.792 -8.845 1.00 0.00 C ATOM 1893 CD ARG A 114 -3.961 -27.059 -7.419 1.00 0.00 C ATOM 1894 NE ARG A 114 -3.013 -26.527 -6.429 1.00 0.00 N ATOM 1895 CZ ARG A 114 -3.134 -26.646 -5.115 1.00 0.00 C ATOM 1896 NH1 ARG A 114 -4.143 -27.288 -4.580 1.00 0.00 N ATOM 1897 NH2 ARG A 114 -2.251 -26.104 -4.311 1.00 0.00 N ATOM 0 H ARG A 114 -3.515 -23.091 -10.313 1.00 0.00 H new ATOM 0 HA ARG A 114 -1.760 -25.306 -10.432 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -3.080 -24.703 -8.429 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -4.578 -24.975 -9.296 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -4.100 -27.360 -9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -2.461 -27.152 -8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -4.940 -26.603 -7.270 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -4.083 -28.132 -7.269 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.197 -26.027 -6.782 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -4.855 -27.708 -5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -4.217 -27.368 -3.566 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -1.462 -25.585 -4.696 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -2.353 -26.202 -3.301 1.00 0.00 H new ATOM 1911 N HIS A 115 -4.615 -25.572 -12.125 1.00 0.00 N ATOM 1912 CA HIS A 115 -5.287 -26.328 -13.187 1.00 0.00 C ATOM 1913 C HIS A 115 -4.375 -26.480 -14.402 1.00 0.00 C ATOM 1914 O HIS A 115 -4.152 -27.588 -14.882 1.00 0.00 O ATOM 1915 CB HIS A 115 -6.587 -25.623 -13.600 1.00 0.00 C ATOM 1916 CG HIS A 115 -7.218 -26.288 -14.799 1.00 0.00 C ATOM 1917 ND1 HIS A 115 -7.689 -27.584 -14.833 1.00 0.00 N ATOM 1918 CD2 HIS A 115 -7.324 -25.774 -16.068 1.00 0.00 C ATOM 1919 CE1 HIS A 115 -8.065 -27.835 -16.097 1.00 0.00 C ATOM 1920 NE2 HIS A 115 -7.899 -26.750 -16.859 1.00 0.00 N ATOM 0 H HIS A 115 -5.134 -24.758 -11.796 1.00 0.00 H new ATOM 0 HA HIS A 115 -5.524 -27.320 -12.801 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -7.289 -25.633 -12.766 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -6.379 -24.578 -13.829 1.00 0.00 H new ATOM 0 HD1 HIS A 115 -7.742 -28.230 -14.046 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -7.015 -24.790 -16.388 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -8.448 -28.782 -16.449 1.00 0.00 H new ATOM 1928 N HIS A 116 -3.789 -25.363 -14.855 1.00 0.00 N ATOM 1929 CA HIS A 116 -2.839 -25.385 -15.967 1.00 0.00 C ATOM 1930 C HIS A 116 -1.658 -26.340 -15.667 1.00 0.00 C ATOM 1931 O HIS A 116 -1.237 -27.104 -16.535 1.00 0.00 O ATOM 1932 CB HIS A 116 -2.305 -23.969 -16.229 1.00 0.00 C ATOM 1933 CG HIS A 116 -3.263 -22.986 -16.869 1.00 0.00 C ATOM 1934 ND1 HIS A 116 -4.419 -23.250 -17.581 1.00 0.00 N ATOM 1935 CD2 HIS A 116 -3.050 -21.635 -16.931 1.00 0.00 C ATOM 1936 CE1 HIS A 116 -4.877 -22.079 -18.051 1.00 0.00 C ATOM 1937 NE2 HIS A 116 -4.072 -21.065 -17.696 1.00 0.00 N ATOM 0 H HIS A 116 -3.958 -24.435 -14.466 1.00 0.00 H new ATOM 0 HA HIS A 116 -3.360 -25.747 -16.853 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -1.972 -23.550 -15.279 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -1.425 -24.050 -16.867 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -4.845 -24.166 -17.723 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -2.233 -21.101 -16.468 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -5.776 -21.967 -18.638 1.00 0.00 H new ATOM 1945 N ASN A 117 -1.185 -26.339 -14.407 1.00 0.00 N ATOM 1946 CA ASN A 117 -0.050 -27.182 -14.001 1.00 0.00 C ATOM 1947 C ASN A 117 -0.440 -28.680 -14.002 1.00 0.00 C ATOM 1948 O ASN A 117 0.429 -29.554 -14.012 1.00 0.00 O ATOM 1949 CB ASN A 117 0.431 -26.767 -12.593 1.00 0.00 C ATOM 1950 CG ASN A 117 1.896 -27.083 -12.302 1.00 0.00 C ATOM 1951 OD1 ASN A 117 2.621 -26.264 -11.764 1.00 0.00 O ATOM 1952 ND2 ASN A 117 2.388 -28.258 -12.638 1.00 0.00 N ATOM 0 H ASN A 117 -1.571 -25.766 -13.657 1.00 0.00 H new ATOM 0 HA ASN A 117 0.757 -27.039 -14.720 1.00 0.00 H new ATOM 0 HB2 ASN A 117 0.273 -25.695 -12.471 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -0.189 -27.267 -11.850 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.366 -28.475 -12.447 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.791 -28.951 -13.089 1.00 0.00 H new ATOM 1959 N MET A 118 -1.751 -28.957 -14.007 1.00 0.00 N ATOM 1960 CA MET A 118 -2.263 -30.330 -14.034 1.00 0.00 C ATOM 1961 C MET A 118 -2.892 -30.661 -15.408 1.00 0.00 C ATOM 1962 O MET A 118 -3.472 -31.730 -15.588 1.00 0.00 O ATOM 1963 CB MET A 118 -3.320 -30.510 -12.925 1.00 0.00 C ATOM 1964 CG MET A 118 -2.753 -30.298 -11.514 1.00 0.00 C ATOM 1965 SD MET A 118 -3.981 -30.341 -10.175 1.00 0.00 S ATOM 1966 CE MET A 118 -4.455 -32.090 -10.202 1.00 0.00 C ATOM 0 H MET A 118 -2.478 -28.242 -13.993 1.00 0.00 H new ATOM 0 HA MET A 118 -1.429 -31.011 -13.865 1.00 0.00 H new ATOM 0 HB2 MET A 118 -4.136 -29.807 -13.092 1.00 0.00 H new ATOM 0 HB3 MET A 118 -3.743 -31.512 -12.994 1.00 0.00 H new ATOM 0 HG2 MET A 118 -2.002 -31.064 -11.322 1.00 0.00 H new ATOM 0 HG3 MET A 118 -2.241 -29.336 -11.486 1.00 0.00 H new ATOM 0 HE1 MET A 118 -5.152 -32.291 -9.388 1.00 0.00 H new ATOM 0 HE2 MET A 118 -4.932 -32.323 -11.154 1.00 0.00 H new ATOM 0 HE3 MET A 118 -3.567 -32.710 -10.080 1.00 0.00 H new ATOM 1976 N HIS A 119 -2.808 -29.713 -16.358 1.00 0.00 N ATOM 1977 CA HIS A 119 -3.498 -29.845 -17.639 1.00 0.00 C ATOM 1978 C HIS A 119 -2.807 -30.881 -18.531 1.00 0.00 C ATOM 1979 O HIS A 119 -3.316 -31.231 -19.600 1.00 0.00 O ATOM 1980 CB HIS A 119 -3.534 -28.491 -18.351 1.00 0.00 C ATOM 1981 CG HIS A 119 -4.815 -28.313 -19.110 1.00 0.00 C ATOM 1982 ND1 HIS A 119 -5.345 -29.208 -20.006 1.00 0.00 N ATOM 1983 CD2 HIS A 119 -5.758 -27.358 -18.861 1.00 0.00 C ATOM 1984 CE1 HIS A 119 -6.601 -28.804 -20.267 1.00 0.00 C ATOM 1985 NE2 HIS A 119 -6.897 -27.701 -19.585 1.00 0.00 N ATOM 0 H HIS A 119 -2.269 -28.853 -16.257 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.516 -30.183 -17.446 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -3.427 -27.690 -17.620 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.689 -28.414 -19.035 1.00 0.00 H new ATOM 0 HD1 HIS A 119 -4.876 -30.024 -20.399 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -5.642 -26.496 -18.221 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -7.279 -29.308 -20.940 1.00 0.00 H new