USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 995 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 113 LYS NZ :NH3+ -124:sc= 0.0788 (180deg=0) USER MOD Set 1.2: A 122 GLN : amide:sc= -4.63! C(o=-4.6!,f=-4.3!) USER MOD Set 2.1: A 36 HIS : no HE2:sc= -13.3! C(o=-15!,f=-19!) USER MOD Set 2.2: A 53 SER OG : rot -40:sc= -1.95 USER MOD Set 2.3: A 56 THR OG1 : rot 180:sc= -0.484 USER MOD Set 2.4: A 58 GLN : amide:sc= 0.227 K(o=-15,f=-17) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -162:sc= -2.17 USER MOD Single : A 12 SER OG : rot -153:sc= -1.01 USER MOD Single : A 13 ASN : amide:sc= -2.26 K(o=-2.3,f=-5.3!) USER MOD Single : A 16 HIS : no HD1:sc= -4.73! C(o=-4.7!,f=-7.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 139:sc= -1.18! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0.365 (180deg=0.335) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -156:sc= -0.453 (180deg=-2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -113:sc= 0.663 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.00234 USER MOD Single : A 75 ASN : amide:sc= -0.0613 K(o=-0.061,f=-0.7) USER MOD Single : A 78 CYS SG : rot 60:sc= -3.62! USER MOD Single : A 87 ASN : amide:sc= 0.599 K(o=0.6,f=-0.027) USER MOD Single : A 88 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.016) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.91 USER MOD Single : A 90 ASN : amide:sc= -0.905 K(o=-0.9,f=-3.7!) USER MOD Single : A 91 THR OG1 : rot 170:sc= 0.00293 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 HIS : no HE2:sc= -7.82! C(o=-7.8!,f=-13!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.3!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.257 K(o=-0.26,f=-1.5!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 28:sc= -0.48 USER MOD Single : A 118 THR OG1 : rot -81:sc= 0.779 USER MOD Single : A 119 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.37) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 9.582 -8.635 1.001 1.00 0.00 N ATOM 98 CA PRO A 6 9.145 -7.354 0.473 1.00 0.00 C ATOM 99 C PRO A 6 8.305 -7.539 -0.792 1.00 0.00 C ATOM 100 O PRO A 6 8.310 -8.612 -1.393 1.00 0.00 O ATOM 101 CB PRO A 6 10.426 -6.573 0.226 1.00 0.00 C ATOM 102 CG PRO A 6 11.542 -7.604 0.184 1.00 0.00 C ATOM 103 CD PRO A 6 10.993 -8.907 0.743 1.00 0.00 C ATOM 0 HA PRO A 6 8.492 -6.817 1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.371 -6.019 -0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.598 -5.844 1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.893 -7.745 -0.838 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.396 -7.266 0.771 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.115 -9.725 0.033 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.514 -9.197 1.656 1.00 0.00 H new ATOM 111 N LYS A 7 7.603 -6.477 -1.158 1.00 0.00 N ATOM 112 CA LYS A 7 6.759 -6.509 -2.341 1.00 0.00 C ATOM 113 C LYS A 7 6.876 -5.176 -3.082 1.00 0.00 C ATOM 114 O LYS A 7 7.457 -4.223 -2.565 1.00 0.00 O ATOM 115 CB LYS A 7 5.323 -6.880 -1.964 1.00 0.00 C ATOM 116 CG LYS A 7 4.780 -5.943 -0.884 1.00 0.00 C ATOM 117 CD LYS A 7 5.169 -6.433 0.513 1.00 0.00 C ATOM 118 CE LYS A 7 4.021 -7.207 1.162 1.00 0.00 C ATOM 119 NZ LYS A 7 4.513 -8.478 1.739 1.00 0.00 N ATOM 0 H LYS A 7 7.601 -5.589 -0.657 1.00 0.00 H new ATOM 0 HA LYS A 7 7.095 -7.286 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.687 -6.830 -2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.291 -7.909 -1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.168 -4.937 -1.042 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.695 -5.882 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.050 -7.071 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.438 -5.582 1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.561 -6.601 1.942 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.248 -7.412 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.721 -8.991 2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.931 -9.062 0.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.234 -8.276 2.461 1.00 0.00 H new ATOM 133 N LEU A 8 6.314 -5.151 -4.281 1.00 0.00 N ATOM 134 CA LEU A 8 6.347 -3.950 -5.099 1.00 0.00 C ATOM 135 C LEU A 8 4.917 -3.468 -5.349 1.00 0.00 C ATOM 136 O LEU A 8 3.988 -4.273 -5.406 1.00 0.00 O ATOM 137 CB LEU A 8 7.146 -4.196 -6.380 1.00 0.00 C ATOM 138 CG LEU A 8 8.398 -5.064 -6.234 1.00 0.00 C ATOM 139 CD1 LEU A 8 8.448 -6.142 -7.318 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.663 -4.203 -6.222 1.00 0.00 C ATOM 0 H LEU A 8 5.833 -5.943 -4.706 1.00 0.00 H new ATOM 0 HA LEU A 8 6.867 -3.147 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.487 -4.664 -7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.443 -3.231 -6.790 1.00 0.00 H new ATOM 0 HG LEU A 8 8.348 -5.577 -5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.348 -6.744 -7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.569 -6.781 -7.236 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.463 -5.670 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.538 -4.844 -6.117 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.732 -3.644 -7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.621 -3.506 -5.385 1.00 0.00 H new ATOM 152 N LEU A 9 4.784 -2.158 -5.491 1.00 0.00 N ATOM 153 CA LEU A 9 3.483 -1.559 -5.734 1.00 0.00 C ATOM 154 C LEU A 9 3.252 -1.446 -7.242 1.00 0.00 C ATOM 155 O LEU A 9 3.820 -0.574 -7.897 1.00 0.00 O ATOM 156 CB LEU A 9 3.358 -0.227 -4.991 1.00 0.00 C ATOM 157 CG LEU A 9 3.603 -0.276 -3.481 1.00 0.00 C ATOM 158 CD1 LEU A 9 3.185 1.036 -2.815 1.00 0.00 C ATOM 159 CD2 LEU A 9 2.909 -1.486 -2.852 1.00 0.00 C ATOM 0 H LEU A 9 5.557 -1.494 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 9 2.691 -2.194 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.062 0.479 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.358 0.171 -5.164 1.00 0.00 H new ATOM 0 HG LEU A 9 4.673 -0.395 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.370 0.975 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.763 1.858 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.124 1.211 -2.991 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.099 -1.497 -1.779 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.835 -1.423 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.298 -2.401 -3.299 1.00 0.00 H new ATOM 171 N TYR A 10 2.416 -2.340 -7.749 1.00 0.00 N ATOM 172 CA TYR A 10 2.102 -2.351 -9.168 1.00 0.00 C ATOM 173 C TYR A 10 0.942 -1.405 -9.481 1.00 0.00 C ATOM 174 O TYR A 10 0.051 -1.215 -8.654 1.00 0.00 O ATOM 175 CB TYR A 10 1.678 -3.784 -9.495 1.00 0.00 C ATOM 176 CG TYR A 10 1.391 -4.025 -10.978 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.411 -3.935 -11.903 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.111 -4.333 -11.391 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.141 -4.162 -13.299 1.00 0.00 C ATOM 180 CE2 TYR A 10 -0.160 -4.560 -12.788 1.00 0.00 C ATOM 181 CZ TYR A 10 0.868 -4.463 -13.672 1.00 0.00 C ATOM 182 OH TYR A 10 0.612 -4.677 -14.991 1.00 0.00 O ATOM 0 H TYR A 10 1.946 -3.062 -7.203 1.00 0.00 H new ATOM 0 HA TYR A 10 2.962 -2.025 -9.753 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.464 -4.467 -9.172 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.786 -4.029 -8.918 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.413 -3.694 -11.580 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.688 -4.404 -10.667 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.931 -4.095 -14.033 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -1.157 -4.802 -13.125 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.339 -4.883 -15.110 1.00 0.00 H new ATOM 192 N CYS A 11 0.989 -0.836 -10.676 1.00 0.00 N ATOM 193 CA CYS A 11 -0.047 0.086 -11.108 1.00 0.00 C ATOM 194 C CYS A 11 -0.558 -0.372 -12.476 1.00 0.00 C ATOM 195 O CYS A 11 -0.186 0.194 -13.503 1.00 0.00 O ATOM 196 CB CYS A 11 0.458 1.530 -11.142 1.00 0.00 C ATOM 197 SG CYS A 11 -0.870 2.644 -11.731 1.00 0.00 S ATOM 0 H CYS A 11 1.729 -0.996 -11.359 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.868 0.075 -10.392 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.784 1.833 -10.147 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.325 1.605 -11.798 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.352 3.775 -12.109 1.00 0.00 H new ATOM 203 N SER A 12 -1.402 -1.393 -12.446 1.00 0.00 N ATOM 204 CA SER A 12 -1.967 -1.933 -13.670 1.00 0.00 C ATOM 205 C SER A 12 -2.191 -0.809 -14.684 1.00 0.00 C ATOM 206 O SER A 12 -1.990 -1.000 -15.882 1.00 0.00 O ATOM 207 CB SER A 12 -3.280 -2.668 -13.393 1.00 0.00 C ATOM 208 OG SER A 12 -4.057 -2.015 -12.393 1.00 0.00 O ATOM 0 H SER A 12 -1.708 -1.860 -11.593 1.00 0.00 H new ATOM 0 HA SER A 12 -1.260 -2.652 -14.085 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.858 -2.736 -14.314 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.064 -3.688 -13.076 1.00 0.00 H new ATOM 0 HG SER A 12 -4.622 -2.673 -11.936 1.00 0.00 H new ATOM 214 N ASN A 13 -2.605 0.338 -14.165 1.00 0.00 N ATOM 215 CA ASN A 13 -2.858 1.492 -15.010 1.00 0.00 C ATOM 216 C ASN A 13 -1.775 1.579 -16.087 1.00 0.00 C ATOM 217 O ASN A 13 -2.081 1.677 -17.274 1.00 0.00 O ATOM 218 CB ASN A 13 -2.822 2.788 -14.198 1.00 0.00 C ATOM 219 CG ASN A 13 -3.837 3.800 -14.733 1.00 0.00 C ATOM 220 OD1 ASN A 13 -4.784 3.462 -15.423 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.587 5.057 -14.376 1.00 0.00 N ATOM 0 H ASN A 13 -2.771 0.492 -13.171 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.846 1.373 -15.456 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.036 2.571 -13.151 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.821 3.217 -14.236 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.207 5.807 -14.682 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -2.776 5.271 -13.796 1.00 0.00 H new ATOM 228 N GLY A 14 -0.530 1.539 -15.634 1.00 0.00 N ATOM 229 CA GLY A 14 0.600 1.612 -16.544 1.00 0.00 C ATOM 230 C GLY A 14 1.498 0.381 -16.402 1.00 0.00 C ATOM 231 O GLY A 14 2.038 -0.115 -17.389 1.00 0.00 O ATOM 0 H GLY A 14 -0.280 1.457 -14.649 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.241 1.688 -17.570 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.178 2.514 -16.341 1.00 0.00 H new ATOM 235 N GLY A 15 1.630 -0.076 -15.165 1.00 0.00 N ATOM 236 CA GLY A 15 2.453 -1.240 -14.881 1.00 0.00 C ATOM 237 C GLY A 15 3.874 -0.824 -14.493 1.00 0.00 C ATOM 238 O GLY A 15 4.794 -0.913 -15.304 1.00 0.00 O ATOM 0 H GLY A 15 1.181 0.339 -14.348 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.006 -1.818 -14.072 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.486 -1.889 -15.756 1.00 0.00 H new ATOM 242 N HIS A 16 4.007 -0.380 -13.252 1.00 0.00 N ATOM 243 CA HIS A 16 5.300 0.049 -12.746 1.00 0.00 C ATOM 244 C HIS A 16 5.334 -0.107 -11.225 1.00 0.00 C ATOM 245 O HIS A 16 4.288 -0.198 -10.583 1.00 0.00 O ATOM 246 CB HIS A 16 5.616 1.475 -13.203 1.00 0.00 C ATOM 247 CG HIS A 16 5.646 1.647 -14.703 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.504 1.606 -15.484 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.689 1.862 -15.555 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.857 1.788 -16.749 1.00 0.00 C ATOM 251 NE2 HIS A 16 6.211 1.946 -16.790 1.00 0.00 N ATOM 0 H HIS A 16 3.241 -0.308 -12.582 1.00 0.00 H new ATOM 0 HA HIS A 16 6.084 -0.585 -13.159 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.872 2.153 -12.785 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.582 1.771 -12.794 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.728 1.949 -15.272 1.00 0.00 H new ATOM 0 HE1 HIS A 16 4.190 1.808 -17.598 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.765 2.103 -17.632 1.00 0.00 H new ATOM 259 N PHE A 17 6.546 -0.134 -10.691 1.00 0.00 N ATOM 260 CA PHE A 17 6.730 -0.278 -9.257 1.00 0.00 C ATOM 261 C PHE A 17 7.057 1.068 -8.608 1.00 0.00 C ATOM 262 O PHE A 17 7.815 1.862 -9.165 1.00 0.00 O ATOM 263 CB PHE A 17 7.909 -1.231 -9.050 1.00 0.00 C ATOM 264 CG PHE A 17 7.645 -2.660 -9.528 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.412 -3.212 -9.373 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.644 -3.379 -10.106 1.00 0.00 C ATOM 267 CE1 PHE A 17 6.167 -4.539 -9.816 1.00 0.00 C ATOM 268 CE2 PHE A 17 8.399 -4.706 -10.549 1.00 0.00 C ATOM 269 CZ PHE A 17 7.166 -5.258 -10.395 1.00 0.00 C ATOM 0 H PHE A 17 7.411 -0.059 -11.226 1.00 0.00 H new ATOM 0 HA PHE A 17 5.816 -0.658 -8.801 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.778 -0.837 -9.577 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.162 -1.254 -7.990 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.619 -2.641 -8.913 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.624 -2.941 -10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.188 -4.977 -9.693 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.192 -5.277 -11.008 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.980 -6.267 -10.732 1.00 0.00 H new ATOM 279 N LEU A 18 6.470 1.285 -7.440 1.00 0.00 N ATOM 280 CA LEU A 18 6.691 2.521 -6.710 1.00 0.00 C ATOM 281 C LEU A 18 8.034 2.446 -5.981 1.00 0.00 C ATOM 282 O LEU A 18 8.244 1.564 -5.149 1.00 0.00 O ATOM 283 CB LEU A 18 5.506 2.817 -5.787 1.00 0.00 C ATOM 284 CG LEU A 18 5.379 4.262 -5.301 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.718 5.142 -6.364 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.641 4.327 -3.963 1.00 0.00 C ATOM 0 H LEU A 18 5.842 0.625 -6.981 1.00 0.00 H new ATOM 0 HA LEU A 18 6.749 3.364 -7.398 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.588 2.548 -6.310 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.579 2.167 -4.915 1.00 0.00 H new ATOM 0 HG LEU A 18 6.382 4.656 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.640 6.164 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.321 5.131 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.722 4.759 -6.585 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.564 5.365 -3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.641 3.908 -4.078 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.191 3.754 -3.216 1.00 0.00 H new ATOM 298 N ARG A 19 8.907 3.383 -6.319 1.00 0.00 N ATOM 299 CA ARG A 19 10.224 3.433 -5.707 1.00 0.00 C ATOM 300 C ARG A 19 10.406 4.748 -4.946 1.00 0.00 C ATOM 301 O ARG A 19 9.763 5.748 -5.264 1.00 0.00 O ATOM 302 CB ARG A 19 11.327 3.306 -6.760 1.00 0.00 C ATOM 303 CG ARG A 19 11.716 4.677 -7.315 1.00 0.00 C ATOM 304 CD ARG A 19 12.624 4.536 -8.539 1.00 0.00 C ATOM 305 NE ARG A 19 14.039 4.461 -8.113 1.00 0.00 N ATOM 306 CZ ARG A 19 15.082 4.609 -8.941 1.00 0.00 C ATOM 307 NH1 ARG A 19 14.874 4.841 -10.245 1.00 0.00 N ATOM 308 NH2 ARG A 19 16.332 4.525 -8.467 1.00 0.00 N ATOM 0 H ARG A 19 8.729 4.113 -7.008 1.00 0.00 H new ATOM 0 HA ARG A 19 10.299 2.594 -5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.201 2.827 -6.320 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.987 2.664 -7.573 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.818 5.232 -7.586 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.226 5.254 -6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.356 3.640 -9.099 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.481 5.385 -9.208 1.00 0.00 H new ATOM 0 HE ARG A 19 14.233 4.286 -7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.922 4.905 -10.606 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.668 4.954 -10.876 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.490 4.348 -7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.125 4.638 -9.098 1.00 0.00 H new ATOM 322 N ILE A 20 11.284 4.705 -3.955 1.00 0.00 N ATOM 323 CA ILE A 20 11.558 5.881 -3.146 1.00 0.00 C ATOM 324 C ILE A 20 13.059 6.174 -3.173 1.00 0.00 C ATOM 325 O ILE A 20 13.872 5.296 -2.889 1.00 0.00 O ATOM 326 CB ILE A 20 10.991 5.705 -1.736 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.630 5.006 -1.775 1.00 0.00 C ATOM 328 CG2 ILE A 20 10.927 7.044 -0.999 1.00 0.00 C ATOM 329 CD1 ILE A 20 9.003 4.947 -0.380 1.00 0.00 C ATOM 0 H ILE A 20 11.815 3.874 -3.694 1.00 0.00 H new ATOM 0 HA ILE A 20 11.055 6.755 -3.560 1.00 0.00 H new ATOM 0 HB ILE A 20 11.668 5.061 -1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.964 5.537 -2.455 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.747 3.996 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.520 6.890 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 20 11.929 7.465 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.286 7.732 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.037 4.446 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.660 4.394 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 20 8.865 5.959 -0.000 1.00 0.00 H new ATOM 341 N LEU A 21 13.381 7.413 -3.516 1.00 0.00 N ATOM 342 CA LEU A 21 14.771 7.833 -3.584 1.00 0.00 C ATOM 343 C LEU A 21 15.166 8.487 -2.258 1.00 0.00 C ATOM 344 O LEU A 21 14.308 8.963 -1.516 1.00 0.00 O ATOM 345 CB LEU A 21 15.001 8.728 -4.804 1.00 0.00 C ATOM 346 CG LEU A 21 14.390 8.239 -6.119 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.503 9.309 -7.206 1.00 0.00 C ATOM 348 CD2 LEU A 21 15.015 6.911 -6.553 1.00 0.00 C ATOM 0 H LEU A 21 12.704 8.139 -3.750 1.00 0.00 H new ATOM 0 HA LEU A 21 15.424 6.971 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.599 9.717 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.075 8.845 -4.947 1.00 0.00 H new ATOM 0 HG LEU A 21 13.328 8.056 -5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.062 8.937 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.975 10.208 -6.888 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.553 9.546 -7.375 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.563 6.585 -7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.088 7.043 -6.694 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.839 6.158 -5.785 1.00 0.00 H new ATOM 360 N PRO A 22 16.500 8.489 -1.994 1.00 0.00 N ATOM 361 CA PRO A 22 17.020 9.077 -0.771 1.00 0.00 C ATOM 362 C PRO A 22 16.997 10.605 -0.844 1.00 0.00 C ATOM 363 O PRO A 22 17.404 11.281 0.100 1.00 0.00 O ATOM 364 CB PRO A 22 18.423 8.510 -0.628 1.00 0.00 C ATOM 365 CG PRO A 22 18.808 7.997 -2.006 1.00 0.00 C ATOM 366 CD PRO A 22 17.545 7.935 -2.849 1.00 0.00 C ATOM 0 HA PRO A 22 16.415 8.834 0.103 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.121 9.275 -0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.446 7.707 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.543 8.657 -2.467 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.267 7.011 -1.932 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.653 8.513 -3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.315 6.911 -3.142 1.00 0.00 H new ATOM 374 N ASP A 23 16.516 11.104 -1.973 1.00 0.00 N ATOM 375 CA ASP A 23 16.434 12.540 -2.181 1.00 0.00 C ATOM 376 C ASP A 23 15.010 13.014 -1.885 1.00 0.00 C ATOM 377 O ASP A 23 14.686 14.183 -2.086 1.00 0.00 O ATOM 378 CB ASP A 23 16.762 12.906 -3.630 1.00 0.00 C ATOM 379 CG ASP A 23 16.981 14.398 -3.886 1.00 0.00 C ATOM 380 OD1 ASP A 23 17.444 15.074 -2.942 1.00 0.00 O ATOM 381 OD2 ASP A 23 16.681 14.830 -5.020 1.00 0.00 O ATOM 0 H ASP A 23 16.179 10.540 -2.753 1.00 0.00 H new ATOM 0 HA ASP A 23 17.153 13.018 -1.516 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.659 12.365 -3.931 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.951 12.558 -4.269 1.00 0.00 H new ATOM 386 N GLY A 24 14.197 12.081 -1.410 1.00 0.00 N ATOM 387 CA GLY A 24 12.815 12.389 -1.084 1.00 0.00 C ATOM 388 C GLY A 24 11.957 12.468 -2.349 1.00 0.00 C ATOM 389 O GLY A 24 11.163 13.394 -2.508 1.00 0.00 O ATOM 0 H GLY A 24 14.469 11.112 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.416 11.625 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.767 13.337 -0.548 1.00 0.00 H new ATOM 393 N THR A 25 12.147 11.484 -3.216 1.00 0.00 N ATOM 394 CA THR A 25 11.401 11.431 -4.462 1.00 0.00 C ATOM 395 C THR A 25 10.693 10.082 -4.602 1.00 0.00 C ATOM 396 O THR A 25 11.196 9.061 -4.135 1.00 0.00 O ATOM 397 CB THR A 25 12.371 11.730 -5.607 1.00 0.00 C ATOM 398 OG1 THR A 25 12.501 13.149 -5.590 1.00 0.00 O ATOM 399 CG2 THR A 25 11.767 11.428 -6.980 1.00 0.00 C ATOM 0 H THR A 25 12.806 10.718 -3.080 1.00 0.00 H new ATOM 0 HA THR A 25 10.611 12.181 -4.482 1.00 0.00 H new ATOM 0 HB THR A 25 13.281 11.145 -5.474 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.115 13.430 -6.300 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.496 11.658 -7.757 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.498 10.373 -7.035 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.876 12.038 -7.128 1.00 0.00 H new ATOM 407 N VAL A 26 9.537 10.121 -5.248 1.00 0.00 N ATOM 408 CA VAL A 26 8.754 8.915 -5.456 1.00 0.00 C ATOM 409 C VAL A 26 8.282 8.862 -6.910 1.00 0.00 C ATOM 410 O VAL A 26 7.585 9.764 -7.373 1.00 0.00 O ATOM 411 CB VAL A 26 7.602 8.859 -4.451 1.00 0.00 C ATOM 412 CG1 VAL A 26 6.985 7.460 -4.401 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.064 9.304 -3.062 1.00 0.00 C ATOM 0 H VAL A 26 9.124 10.970 -5.635 1.00 0.00 H new ATOM 0 HA VAL A 26 9.364 8.029 -5.280 1.00 0.00 H new ATOM 0 HB VAL A 26 6.831 9.553 -4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.169 7.448 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.602 7.196 -5.387 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.745 6.738 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.226 9.255 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.862 8.647 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.434 10.328 -3.112 1.00 0.00 H new ATOM 423 N ASP A 27 8.680 7.797 -7.590 1.00 0.00 N ATOM 424 CA ASP A 27 8.306 7.615 -8.982 1.00 0.00 C ATOM 425 C ASP A 27 8.135 6.122 -9.269 1.00 0.00 C ATOM 426 O ASP A 27 8.613 5.281 -8.508 1.00 0.00 O ATOM 427 CB ASP A 27 9.389 8.155 -9.918 1.00 0.00 C ATOM 428 CG ASP A 27 10.760 8.362 -9.270 1.00 0.00 C ATOM 429 OD1 ASP A 27 11.138 7.495 -8.453 1.00 0.00 O ATOM 430 OD2 ASP A 27 11.399 9.382 -9.607 1.00 0.00 O ATOM 0 H ASP A 27 9.258 7.051 -7.203 1.00 0.00 H new ATOM 0 HA ASP A 27 7.376 8.157 -9.155 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.500 7.467 -10.756 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.051 9.106 -10.330 1.00 0.00 H new ATOM 435 N GLY A 28 7.452 5.838 -10.368 1.00 0.00 N ATOM 436 CA GLY A 28 7.212 4.460 -10.765 1.00 0.00 C ATOM 437 C GLY A 28 8.324 3.953 -11.685 1.00 0.00 C ATOM 438 O GLY A 28 9.038 4.746 -12.296 1.00 0.00 O ATOM 0 H GLY A 28 7.057 6.538 -10.996 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.152 3.828 -9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.251 4.387 -11.275 1.00 0.00 H new ATOM 442 N THR A 29 8.435 2.635 -11.755 1.00 0.00 N ATOM 443 CA THR A 29 9.447 2.012 -12.591 1.00 0.00 C ATOM 444 C THR A 29 9.219 0.501 -12.669 1.00 0.00 C ATOM 445 O THR A 29 8.925 -0.139 -11.661 1.00 0.00 O ATOM 446 CB THR A 29 10.820 2.391 -12.032 1.00 0.00 C ATOM 447 OG1 THR A 29 11.706 2.209 -13.133 1.00 0.00 O ATOM 448 CG2 THR A 29 11.320 1.395 -10.983 1.00 0.00 C ATOM 0 H THR A 29 7.840 1.981 -11.246 1.00 0.00 H new ATOM 0 HA THR A 29 9.387 2.371 -13.618 1.00 0.00 H new ATOM 0 HB THR A 29 10.770 3.387 -11.593 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.619 2.435 -12.859 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.298 1.710 -10.619 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.617 1.359 -10.151 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.402 0.405 -11.431 1.00 0.00 H new ATOM 456 N ARG A 30 9.363 -0.025 -13.877 1.00 0.00 N ATOM 457 CA ARG A 30 9.176 -1.448 -14.100 1.00 0.00 C ATOM 458 C ARG A 30 10.527 -2.134 -14.312 1.00 0.00 C ATOM 459 O ARG A 30 10.663 -2.990 -15.185 1.00 0.00 O ATOM 460 CB ARG A 30 8.286 -1.703 -15.318 1.00 0.00 C ATOM 461 CG ARG A 30 7.269 -2.809 -15.033 1.00 0.00 C ATOM 462 CD ARG A 30 7.027 -3.666 -16.278 1.00 0.00 C ATOM 463 NE ARG A 30 6.618 -5.031 -15.881 1.00 0.00 N ATOM 464 CZ ARG A 30 6.754 -6.113 -16.661 1.00 0.00 C ATOM 465 NH1 ARG A 30 7.289 -5.994 -17.883 1.00 0.00 N ATOM 466 NH2 ARG A 30 6.354 -7.313 -16.217 1.00 0.00 N ATOM 0 H ARG A 30 9.607 0.509 -14.711 1.00 0.00 H new ATOM 0 HA ARG A 30 8.689 -1.861 -13.216 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.764 -0.786 -15.590 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.903 -1.983 -16.172 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.629 -3.438 -14.219 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.329 -2.367 -14.703 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.254 -3.212 -16.898 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.934 -3.710 -16.881 1.00 0.00 H new ATOM 0 HE ARG A 30 6.207 -5.157 -14.956 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.593 -5.080 -18.220 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.393 -6.817 -18.477 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.946 -7.403 -15.286 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.457 -8.137 -16.810 1.00 0.00 H new ATOM 480 N ASP A 31 11.493 -1.733 -13.498 1.00 0.00 N ATOM 481 CA ASP A 31 12.828 -2.298 -13.585 1.00 0.00 C ATOM 482 C ASP A 31 13.199 -2.929 -12.242 1.00 0.00 C ATOM 483 O ASP A 31 13.684 -2.244 -11.343 1.00 0.00 O ATOM 484 CB ASP A 31 13.864 -1.217 -13.902 1.00 0.00 C ATOM 485 CG ASP A 31 14.843 -1.569 -15.024 1.00 0.00 C ATOM 486 OD1 ASP A 31 14.907 -2.769 -15.366 1.00 0.00 O ATOM 487 OD2 ASP A 31 15.505 -0.629 -15.514 1.00 0.00 O ATOM 0 H ASP A 31 11.377 -1.023 -12.775 1.00 0.00 H new ATOM 0 HA ASP A 31 12.828 -3.042 -14.381 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.340 -0.300 -14.172 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.433 -1.004 -12.997 1.00 0.00 H new ATOM 492 N ARG A 32 12.957 -4.228 -12.148 1.00 0.00 N ATOM 493 CA ARG A 32 13.259 -4.960 -10.929 1.00 0.00 C ATOM 494 C ARG A 32 14.689 -4.662 -10.473 1.00 0.00 C ATOM 495 O ARG A 32 14.974 -4.657 -9.276 1.00 0.00 O ATOM 496 CB ARG A 32 13.101 -6.467 -11.138 1.00 0.00 C ATOM 497 CG ARG A 32 11.624 -6.863 -11.175 1.00 0.00 C ATOM 498 CD ARG A 32 11.172 -7.423 -9.824 1.00 0.00 C ATOM 499 NE ARG A 32 11.026 -8.893 -9.909 1.00 0.00 N ATOM 500 CZ ARG A 32 9.943 -9.513 -10.398 1.00 0.00 C ATOM 501 NH1 ARG A 32 8.906 -8.795 -10.849 1.00 0.00 N ATOM 502 NH2 ARG A 32 9.898 -10.852 -10.436 1.00 0.00 N ATOM 0 H ARG A 32 12.555 -4.793 -12.896 1.00 0.00 H new ATOM 0 HA ARG A 32 12.554 -4.636 -10.163 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.584 -6.761 -12.070 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.605 -7.004 -10.335 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.018 -5.995 -11.434 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.463 -7.608 -11.954 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.898 -7.165 -9.053 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.224 -6.971 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 32 11.798 -9.470 -9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.940 -7.776 -10.820 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.082 -9.267 -11.221 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.688 -11.399 -10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.074 -11.324 -10.808 1.00 0.00 H new ATOM 516 N SER A 33 15.550 -4.422 -11.450 1.00 0.00 N ATOM 517 CA SER A 33 16.943 -4.124 -11.164 1.00 0.00 C ATOM 518 C SER A 33 17.037 -2.990 -10.141 1.00 0.00 C ATOM 519 O SER A 33 17.883 -3.022 -9.249 1.00 0.00 O ATOM 520 CB SER A 33 17.701 -3.751 -12.440 1.00 0.00 C ATOM 521 OG SER A 33 19.023 -3.298 -12.163 1.00 0.00 O ATOM 0 H SER A 33 15.310 -4.428 -12.441 1.00 0.00 H new ATOM 0 HA SER A 33 17.405 -5.020 -10.748 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.746 -4.616 -13.101 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.155 -2.972 -12.971 1.00 0.00 H new ATOM 0 HG SER A 33 19.474 -3.071 -13.003 1.00 0.00 H new ATOM 527 N ASP A 34 16.155 -2.015 -10.304 1.00 0.00 N ATOM 528 CA ASP A 34 16.127 -0.873 -9.406 1.00 0.00 C ATOM 529 C ASP A 34 16.279 -1.360 -7.964 1.00 0.00 C ATOM 530 O ASP A 34 15.458 -2.136 -7.477 1.00 0.00 O ATOM 531 CB ASP A 34 14.800 -0.120 -9.513 1.00 0.00 C ATOM 532 CG ASP A 34 14.686 1.120 -8.625 1.00 0.00 C ATOM 533 OD1 ASP A 34 15.460 1.189 -7.645 1.00 0.00 O ATOM 534 OD2 ASP A 34 13.829 1.971 -8.945 1.00 0.00 O ATOM 0 H ASP A 34 15.454 -1.992 -11.045 1.00 0.00 H new ATOM 0 HA ASP A 34 16.943 -0.206 -9.684 1.00 0.00 H new ATOM 0 HB2 ASP A 34 14.653 0.180 -10.550 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.990 -0.804 -9.261 1.00 0.00 H new ATOM 539 N GLN A 35 17.336 -0.885 -7.320 1.00 0.00 N ATOM 540 CA GLN A 35 17.606 -1.263 -5.944 1.00 0.00 C ATOM 541 C GLN A 35 17.004 -0.234 -4.983 1.00 0.00 C ATOM 542 O GLN A 35 17.729 0.560 -4.386 1.00 0.00 O ATOM 543 CB GLN A 35 19.108 -1.424 -5.704 1.00 0.00 C ATOM 544 CG GLN A 35 19.679 -2.564 -6.549 1.00 0.00 C ATOM 545 CD GLN A 35 21.205 -2.613 -6.445 1.00 0.00 C ATOM 546 OE1 GLN A 35 21.927 -2.112 -7.291 1.00 0.00 O ATOM 547 NE2 GLN A 35 21.653 -3.243 -5.362 1.00 0.00 N ATOM 0 H GLN A 35 18.015 -0.242 -7.727 1.00 0.00 H new ATOM 0 HA GLN A 35 17.136 -2.228 -5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 35 19.621 -0.494 -5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 35 19.292 -1.622 -4.648 1.00 0.00 H new ATOM 0 HG2 GLN A 35 19.258 -3.513 -6.218 1.00 0.00 H new ATOM 0 HG3 GLN A 35 19.386 -2.431 -7.590 1.00 0.00 H new ATOM 0 HE21 GLN A 35 20.993 -3.640 -4.693 1.00 0.00 H new ATOM 0 HE22 GLN A 35 22.656 -3.329 -5.201 1.00 0.00 H new ATOM 556 N HIS A 36 15.685 -0.283 -4.865 1.00 0.00 N ATOM 557 CA HIS A 36 14.979 0.634 -3.987 1.00 0.00 C ATOM 558 C HIS A 36 13.480 0.330 -4.027 1.00 0.00 C ATOM 559 O HIS A 36 12.809 0.360 -2.996 1.00 0.00 O ATOM 560 CB HIS A 36 15.298 2.086 -4.348 1.00 0.00 C ATOM 561 CG HIS A 36 15.417 3.004 -3.155 1.00 0.00 C ATOM 562 ND1 HIS A 36 14.655 2.848 -2.011 1.00 0.00 N ATOM 563 CD2 HIS A 36 16.216 4.088 -2.940 1.00 0.00 C ATOM 564 CE1 HIS A 36 14.988 3.801 -1.153 1.00 0.00 C ATOM 565 NE2 HIS A 36 15.956 4.569 -1.731 1.00 0.00 N ATOM 0 H HIS A 36 15.087 -0.943 -5.363 1.00 0.00 H new ATOM 0 HA HIS A 36 15.317 0.493 -2.960 1.00 0.00 H new ATOM 0 HB2 HIS A 36 16.232 2.113 -4.909 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.518 2.465 -5.009 1.00 0.00 H new ATOM 0 HD1 HIS A 36 13.955 2.122 -1.855 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.938 4.488 -3.636 1.00 0.00 H new ATOM 0 HE1 HIS A 36 14.567 3.945 -0.169 1.00 0.00 H new ATOM 573 N ILE A 37 12.998 0.043 -5.227 1.00 0.00 N ATOM 574 CA ILE A 37 11.591 -0.267 -5.415 1.00 0.00 C ATOM 575 C ILE A 37 11.145 -1.261 -4.341 1.00 0.00 C ATOM 576 O ILE A 37 9.967 -1.314 -3.990 1.00 0.00 O ATOM 577 CB ILE A 37 11.334 -0.749 -6.844 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.129 -2.021 -7.145 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.623 0.361 -7.857 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.878 -2.499 -8.576 1.00 0.00 C ATOM 0 H ILE A 37 13.557 0.019 -6.080 1.00 0.00 H new ATOM 0 HA ILE A 37 10.984 0.630 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 37 10.277 -1.001 -6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 37 13.193 -1.831 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.848 -2.805 -6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 37 11.432 -0.008 -8.865 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.977 1.215 -7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.666 0.667 -7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.455 -3.404 -8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.817 -2.711 -8.708 1.00 0.00 H new ATOM 0 HD13 ILE A 37 12.183 -1.723 -9.278 1.00 0.00 H new ATOM 592 N GLN A 38 12.109 -2.024 -3.849 1.00 0.00 N ATOM 593 CA GLN A 38 11.831 -3.014 -2.822 1.00 0.00 C ATOM 594 C GLN A 38 11.363 -2.328 -1.537 1.00 0.00 C ATOM 595 O GLN A 38 12.177 -1.815 -0.771 1.00 0.00 O ATOM 596 CB GLN A 38 13.056 -3.892 -2.560 1.00 0.00 C ATOM 597 CG GLN A 38 13.270 -4.889 -3.701 1.00 0.00 C ATOM 598 CD GLN A 38 14.559 -5.687 -3.497 1.00 0.00 C ATOM 599 OE1 GLN A 38 15.630 -5.312 -3.947 1.00 0.00 O ATOM 600 NE2 GLN A 38 14.398 -6.805 -2.795 1.00 0.00 N ATOM 0 H GLN A 38 13.085 -1.977 -4.143 1.00 0.00 H new ATOM 0 HA GLN A 38 11.030 -3.662 -3.177 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.941 -3.265 -2.450 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.928 -4.430 -1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.421 -5.571 -3.757 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.314 -4.356 -4.651 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.474 -7.060 -2.447 1.00 0.00 H new ATOM 0 HE22 GLN A 38 15.199 -7.407 -2.604 1.00 0.00 H new ATOM 609 N LEU A 39 10.053 -2.342 -1.340 1.00 0.00 N ATOM 610 CA LEU A 39 9.467 -1.727 -0.161 1.00 0.00 C ATOM 611 C LEU A 39 8.887 -2.818 0.742 1.00 0.00 C ATOM 612 O LEU A 39 8.413 -3.844 0.257 1.00 0.00 O ATOM 613 CB LEU A 39 8.450 -0.657 -0.563 1.00 0.00 C ATOM 614 CG LEU A 39 8.986 0.486 -1.427 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.841 1.330 -1.992 1.00 0.00 C ATOM 616 CD2 LEU A 39 9.993 1.335 -0.648 1.00 0.00 C ATOM 0 H LEU A 39 9.381 -2.769 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 39 10.231 -1.206 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.636 -1.142 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.023 -0.231 0.345 1.00 0.00 H new ATOM 0 HG LEU A 39 9.516 0.054 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.250 2.135 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.194 0.702 -2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.262 1.754 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.359 2.141 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.508 1.759 0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 39 10.830 0.711 -0.335 1.00 0.00 H new ATOM 628 N GLN A 40 8.944 -2.559 2.041 1.00 0.00 N ATOM 629 CA GLN A 40 8.431 -3.505 3.016 1.00 0.00 C ATOM 630 C GLN A 40 7.100 -3.010 3.587 1.00 0.00 C ATOM 631 O GLN A 40 7.054 -1.985 4.264 1.00 0.00 O ATOM 632 CB GLN A 40 9.449 -3.750 4.132 1.00 0.00 C ATOM 633 CG GLN A 40 10.160 -5.091 3.941 1.00 0.00 C ATOM 634 CD GLN A 40 9.544 -6.170 4.833 1.00 0.00 C ATOM 635 OE1 GLN A 40 8.387 -6.534 4.702 1.00 0.00 O ATOM 636 NE2 GLN A 40 10.379 -6.660 5.745 1.00 0.00 N ATOM 0 H GLN A 40 9.338 -1.707 2.440 1.00 0.00 H new ATOM 0 HA GLN A 40 8.257 -4.456 2.513 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.183 -2.944 4.143 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.945 -3.736 5.098 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.094 -5.396 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.219 -4.982 4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.336 -6.311 5.801 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.063 -7.385 6.389 1.00 0.00 H new ATOM 645 N LEU A 41 6.050 -3.763 3.292 1.00 0.00 N ATOM 646 CA LEU A 41 4.722 -3.413 3.767 1.00 0.00 C ATOM 647 C LEU A 41 4.457 -4.126 5.095 1.00 0.00 C ATOM 648 O LEU A 41 4.753 -5.311 5.237 1.00 0.00 O ATOM 649 CB LEU A 41 3.674 -3.706 2.691 1.00 0.00 C ATOM 650 CG LEU A 41 3.520 -2.647 1.598 1.00 0.00 C ATOM 651 CD1 LEU A 41 4.454 -2.935 0.421 1.00 0.00 C ATOM 652 CD2 LEU A 41 2.061 -2.523 1.156 1.00 0.00 C ATOM 0 H LEU A 41 6.092 -4.613 2.730 1.00 0.00 H new ATOM 0 HA LEU A 41 4.655 -2.342 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.925 -4.655 2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.708 -3.839 3.179 1.00 0.00 H new ATOM 0 HG LEU A 41 3.813 -1.682 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.325 -2.168 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.487 -2.932 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 41 4.216 -3.911 -0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.980 -1.763 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.717 -3.481 0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.446 -2.237 2.009 1.00 0.00 H new ATOM 664 N SER A 42 3.902 -3.372 6.033 1.00 0.00 N ATOM 665 CA SER A 42 3.593 -3.917 7.344 1.00 0.00 C ATOM 666 C SER A 42 2.225 -3.415 7.810 1.00 0.00 C ATOM 667 O SER A 42 1.762 -2.364 7.369 1.00 0.00 O ATOM 668 CB SER A 42 4.671 -3.543 8.363 1.00 0.00 C ATOM 669 OG SER A 42 5.984 -3.758 7.854 1.00 0.00 O ATOM 0 H SER A 42 3.659 -2.389 5.911 1.00 0.00 H new ATOM 0 HA SER A 42 3.566 -5.004 7.266 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.558 -2.496 8.643 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.533 -4.132 9.270 1.00 0.00 H new ATOM 0 HG SER A 42 6.644 -3.506 8.534 1.00 0.00 H new ATOM 675 N ALA A 43 1.616 -4.189 8.696 1.00 0.00 N ATOM 676 CA ALA A 43 0.310 -3.837 9.227 1.00 0.00 C ATOM 677 C ALA A 43 0.455 -3.423 10.693 1.00 0.00 C ATOM 678 O ALA A 43 1.001 -4.172 11.502 1.00 0.00 O ATOM 679 CB ALA A 43 -0.650 -5.014 9.046 1.00 0.00 C ATOM 0 H ALA A 43 2.003 -5.060 9.060 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.109 -2.989 8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.629 -4.749 9.445 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.741 -5.249 7.986 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.264 -5.883 9.579 1.00 0.00 H new ATOM 685 N GLU A 44 -0.042 -2.231 10.990 1.00 0.00 N ATOM 686 CA GLU A 44 0.025 -1.709 12.344 1.00 0.00 C ATOM 687 C GLU A 44 -1.360 -1.739 12.994 1.00 0.00 C ATOM 688 O GLU A 44 -1.499 -2.142 14.147 1.00 0.00 O ATOM 689 CB GLU A 44 0.607 -0.294 12.358 1.00 0.00 C ATOM 690 CG GLU A 44 -0.069 0.567 13.427 1.00 0.00 C ATOM 691 CD GLU A 44 0.843 1.715 13.864 1.00 0.00 C ATOM 692 OE1 GLU A 44 2.022 1.422 14.159 1.00 0.00 O ATOM 693 OE2 GLU A 44 0.341 2.859 13.894 1.00 0.00 O ATOM 0 H GLU A 44 -0.493 -1.612 10.316 1.00 0.00 H new ATOM 0 HA GLU A 44 0.691 -2.346 12.925 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.679 -0.340 12.548 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.476 0.167 11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.004 0.969 13.037 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.322 -0.050 14.289 1.00 0.00 H new ATOM 700 N SER A 45 -2.348 -1.306 12.225 1.00 0.00 N ATOM 701 CA SER A 45 -3.717 -1.278 12.712 1.00 0.00 C ATOM 702 C SER A 45 -4.640 -1.986 11.718 1.00 0.00 C ATOM 703 O SER A 45 -4.243 -2.268 10.589 1.00 0.00 O ATOM 704 CB SER A 45 -4.190 0.159 12.944 1.00 0.00 C ATOM 705 OG SER A 45 -3.108 1.033 13.254 1.00 0.00 O ATOM 0 H SER A 45 -2.228 -0.972 11.269 1.00 0.00 H new ATOM 0 HA SER A 45 -3.751 -1.802 13.667 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.704 0.520 12.053 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.914 0.175 13.758 1.00 0.00 H new ATOM 0 HG SER A 45 -3.231 1.885 12.785 1.00 0.00 H new ATOM 711 N VAL A 46 -5.855 -2.254 12.175 1.00 0.00 N ATOM 712 CA VAL A 46 -6.838 -2.924 11.340 1.00 0.00 C ATOM 713 C VAL A 46 -7.103 -2.078 10.093 1.00 0.00 C ATOM 714 O VAL A 46 -7.497 -0.918 10.198 1.00 0.00 O ATOM 715 CB VAL A 46 -8.104 -3.209 12.150 1.00 0.00 C ATOM 716 CG1 VAL A 46 -8.582 -1.953 12.881 1.00 0.00 C ATOM 717 CG2 VAL A 46 -9.209 -3.777 11.257 1.00 0.00 C ATOM 0 H VAL A 46 -6.181 -2.019 13.113 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.460 -3.889 11.003 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.859 -3.961 12.901 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.483 -2.183 13.449 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.803 -1.609 13.561 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.801 -1.170 12.155 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.098 -3.971 11.857 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.450 -3.058 10.474 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.868 -4.707 10.803 1.00 0.00 H new ATOM 727 N GLY A 47 -6.875 -2.692 8.942 1.00 0.00 N ATOM 728 CA GLY A 47 -7.084 -2.010 7.676 1.00 0.00 C ATOM 729 C GLY A 47 -6.035 -0.917 7.462 1.00 0.00 C ATOM 730 O GLY A 47 -6.249 0.010 6.682 1.00 0.00 O ATOM 0 H GLY A 47 -6.548 -3.654 8.859 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.036 -2.730 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.081 -1.571 7.656 1.00 0.00 H new ATOM 734 N GLU A 48 -4.924 -1.062 8.168 1.00 0.00 N ATOM 735 CA GLU A 48 -3.841 -0.098 8.066 1.00 0.00 C ATOM 736 C GLU A 48 -2.534 -0.805 7.702 1.00 0.00 C ATOM 737 O GLU A 48 -2.225 -1.865 8.245 1.00 0.00 O ATOM 738 CB GLU A 48 -3.691 0.699 9.363 1.00 0.00 C ATOM 739 CG GLU A 48 -4.936 1.546 9.633 1.00 0.00 C ATOM 740 CD GLU A 48 -4.561 2.882 10.277 1.00 0.00 C ATOM 741 OE1 GLU A 48 -4.385 2.886 11.515 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.459 3.869 9.517 1.00 0.00 O ATOM 0 H GLU A 48 -4.750 -1.832 8.813 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.083 0.608 7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.523 0.016 10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.815 1.344 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.468 1.725 8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.616 1.001 10.288 1.00 0.00 H new ATOM 749 N VAL A 49 -1.800 -0.190 6.786 1.00 0.00 N ATOM 750 CA VAL A 49 -0.533 -0.748 6.344 1.00 0.00 C ATOM 751 C VAL A 49 0.515 0.365 6.284 1.00 0.00 C ATOM 752 O VAL A 49 0.180 1.527 6.061 1.00 0.00 O ATOM 753 CB VAL A 49 -0.717 -1.469 5.007 1.00 0.00 C ATOM 754 CG1 VAL A 49 -1.738 -2.602 5.131 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.118 -0.487 3.905 1.00 0.00 C ATOM 0 H VAL A 49 -2.058 0.689 6.338 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.175 -1.494 7.054 1.00 0.00 H new ATOM 0 HB VAL A 49 0.240 -1.910 4.730 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.850 -3.098 4.167 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.393 -3.323 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.699 -2.193 5.442 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.242 -1.025 2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.057 -0.003 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.341 0.268 3.790 1.00 0.00 H new ATOM 765 N TYR A 50 1.763 -0.030 6.486 1.00 0.00 N ATOM 766 CA TYR A 50 2.863 0.919 6.458 1.00 0.00 C ATOM 767 C TYR A 50 3.829 0.605 5.313 1.00 0.00 C ATOM 768 O TYR A 50 4.228 -0.544 5.131 1.00 0.00 O ATOM 769 CB TYR A 50 3.598 0.753 7.789 1.00 0.00 C ATOM 770 CG TYR A 50 3.331 1.878 8.791 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.611 3.186 8.451 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.811 1.585 10.036 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.359 4.245 9.394 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.560 2.643 10.979 1.00 0.00 C ATOM 775 CZ TYR A 50 2.847 3.921 10.612 1.00 0.00 C ATOM 776 OH TYR A 50 2.609 4.921 11.503 1.00 0.00 O ATOM 0 H TYR A 50 2.037 -0.995 6.670 1.00 0.00 H new ATOM 0 HA TYR A 50 2.491 1.933 6.310 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.306 -0.196 8.238 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.669 0.698 7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.019 3.415 7.478 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.592 0.561 10.302 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.572 5.273 9.140 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.153 2.427 11.956 1.00 0.00 H new ATOM 0 HH TYR A 50 2.243 4.542 12.329 1.00 0.00 H new ATOM 786 N ILE A 51 4.176 1.647 4.572 1.00 0.00 N ATOM 787 CA ILE A 51 5.087 1.497 3.450 1.00 0.00 C ATOM 788 C ILE A 51 6.348 2.324 3.709 1.00 0.00 C ATOM 789 O ILE A 51 6.282 3.548 3.810 1.00 0.00 O ATOM 790 CB ILE A 51 4.383 1.844 2.137 1.00 0.00 C ATOM 791 CG1 ILE A 51 2.972 1.252 2.099 1.00 0.00 C ATOM 792 CG2 ILE A 51 5.220 1.408 0.933 1.00 0.00 C ATOM 793 CD1 ILE A 51 2.215 1.721 0.855 1.00 0.00 C ATOM 0 H ILE A 51 3.843 2.599 4.727 1.00 0.00 H new ATOM 0 HA ILE A 51 5.401 0.458 3.351 1.00 0.00 H new ATOM 0 HB ILE A 51 4.280 2.928 2.081 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.030 0.164 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.425 1.547 2.995 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.696 1.667 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.184 1.916 0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.377 0.330 0.970 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.215 1.286 0.852 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.138 2.808 0.864 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.752 1.403 -0.039 1.00 0.00 H new ATOM 805 N LYS A 52 7.467 1.623 3.809 1.00 0.00 N ATOM 806 CA LYS A 52 8.742 2.277 4.054 1.00 0.00 C ATOM 807 C LYS A 52 9.832 1.582 3.236 1.00 0.00 C ATOM 808 O LYS A 52 9.720 0.397 2.924 1.00 0.00 O ATOM 809 CB LYS A 52 9.037 2.329 5.554 1.00 0.00 C ATOM 810 CG LYS A 52 7.918 3.050 6.308 1.00 0.00 C ATOM 811 CD LYS A 52 6.828 2.068 6.743 1.00 0.00 C ATOM 812 CE LYS A 52 7.218 1.355 8.039 1.00 0.00 C ATOM 813 NZ LYS A 52 6.849 2.177 9.213 1.00 0.00 N ATOM 0 H LYS A 52 7.518 0.608 3.725 1.00 0.00 H new ATOM 0 HA LYS A 52 8.708 3.315 3.723 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.148 1.316 5.942 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.984 2.841 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.330 3.553 7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.484 3.822 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.889 2.602 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.660 1.333 5.956 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.719 0.388 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.291 1.161 8.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.978 1.620 10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.455 3.021 9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.854 2.468 9.134 1.00 0.00 H new ATOM 827 N SER A 53 10.863 2.348 2.912 1.00 0.00 N ATOM 828 CA SER A 53 11.973 1.821 2.137 1.00 0.00 C ATOM 829 C SER A 53 12.973 1.123 3.062 1.00 0.00 C ATOM 830 O SER A 53 13.291 1.633 4.135 1.00 0.00 O ATOM 831 CB SER A 53 12.668 2.931 1.345 1.00 0.00 C ATOM 832 OG SER A 53 12.834 2.584 -0.027 1.00 0.00 O ATOM 0 H SER A 53 10.953 3.330 3.172 1.00 0.00 H new ATOM 0 HA SER A 53 11.579 1.096 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.085 3.849 1.419 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.643 3.136 1.788 1.00 0.00 H new ATOM 0 HG SER A 53 13.088 1.640 -0.097 1.00 0.00 H new ATOM 838 N THR A 54 13.439 -0.033 2.612 1.00 0.00 N ATOM 839 CA THR A 54 14.395 -0.806 3.385 1.00 0.00 C ATOM 840 C THR A 54 15.810 -0.605 2.839 1.00 0.00 C ATOM 841 O THR A 54 16.734 -1.324 3.217 1.00 0.00 O ATOM 842 CB THR A 54 13.942 -2.267 3.374 1.00 0.00 C ATOM 843 OG1 THR A 54 14.233 -2.710 2.051 1.00 0.00 O ATOM 844 CG2 THR A 54 12.423 -2.410 3.489 1.00 0.00 C ATOM 0 H THR A 54 13.172 -0.453 1.722 1.00 0.00 H new ATOM 0 HA THR A 54 14.429 -0.469 4.421 1.00 0.00 H new ATOM 0 HB THR A 54 14.420 -2.802 4.195 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.972 -3.650 1.956 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.155 -3.466 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 54 12.085 -1.961 4.423 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.945 -1.904 2.650 1.00 0.00 H new ATOM 852 N GLU A 55 15.936 0.377 1.958 1.00 0.00 N ATOM 853 CA GLU A 55 17.223 0.683 1.356 1.00 0.00 C ATOM 854 C GLU A 55 17.826 1.933 1.999 1.00 0.00 C ATOM 855 O GLU A 55 18.954 1.901 2.488 1.00 0.00 O ATOM 856 CB GLU A 55 17.092 0.853 -0.158 1.00 0.00 C ATOM 857 CG GLU A 55 18.463 1.052 -0.808 1.00 0.00 C ATOM 858 CD GLU A 55 19.091 -0.291 -1.187 1.00 0.00 C ATOM 859 OE1 GLU A 55 19.003 -1.215 -0.350 1.00 0.00 O ATOM 860 OE2 GLU A 55 19.644 -0.363 -2.305 1.00 0.00 O ATOM 0 H GLU A 55 15.168 0.971 1.647 1.00 0.00 H new ATOM 0 HA GLU A 55 17.896 -0.155 1.537 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.607 -0.024 -0.585 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.454 1.709 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 55 18.361 1.674 -1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.121 1.584 -0.121 1.00 0.00 H new ATOM 867 N THR A 56 17.048 3.005 1.977 1.00 0.00 N ATOM 868 CA THR A 56 17.492 4.264 2.552 1.00 0.00 C ATOM 869 C THR A 56 17.040 4.373 4.009 1.00 0.00 C ATOM 870 O THR A 56 17.848 4.651 4.895 1.00 0.00 O ATOM 871 CB THR A 56 16.970 5.397 1.667 1.00 0.00 C ATOM 872 OG1 THR A 56 15.611 5.048 1.420 1.00 0.00 O ATOM 873 CG2 THR A 56 17.613 5.400 0.279 1.00 0.00 C ATOM 0 H THR A 56 16.113 3.028 1.570 1.00 0.00 H new ATOM 0 HA THR A 56 18.580 4.326 2.577 1.00 0.00 H new ATOM 0 HB THR A 56 17.157 6.353 2.155 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.196 5.731 0.853 1.00 0.00 H new ATOM 0 HG21 THR A 56 17.207 6.224 -0.308 1.00 0.00 H new ATOM 0 HG22 THR A 56 18.692 5.522 0.378 1.00 0.00 H new ATOM 0 HG23 THR A 56 17.399 4.457 -0.223 1.00 0.00 H new ATOM 881 N GLY A 57 15.750 4.150 4.214 1.00 0.00 N ATOM 882 CA GLY A 57 15.181 4.220 5.549 1.00 0.00 C ATOM 883 C GLY A 57 14.133 5.331 5.641 1.00 0.00 C ATOM 884 O GLY A 57 14.010 5.990 6.672 1.00 0.00 O ATOM 0 H GLY A 57 15.083 3.921 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.725 3.263 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.972 4.401 6.276 1.00 0.00 H new ATOM 888 N GLN A 58 13.405 5.506 4.547 1.00 0.00 N ATOM 889 CA GLN A 58 12.372 6.526 4.491 1.00 0.00 C ATOM 890 C GLN A 58 10.988 5.877 4.415 1.00 0.00 C ATOM 891 O GLN A 58 10.858 4.734 3.979 1.00 0.00 O ATOM 892 CB GLN A 58 12.599 7.472 3.311 1.00 0.00 C ATOM 893 CG GLN A 58 14.079 7.836 3.176 1.00 0.00 C ATOM 894 CD GLN A 58 14.338 8.612 1.883 1.00 0.00 C ATOM 895 OE1 GLN A 58 14.897 9.697 1.881 1.00 0.00 O ATOM 896 NE2 GLN A 58 13.902 7.998 0.787 1.00 0.00 N ATOM 0 H GLN A 58 13.511 4.958 3.693 1.00 0.00 H new ATOM 0 HA GLN A 58 12.424 7.118 5.404 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.251 7.002 2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.009 8.378 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.389 8.435 4.032 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.683 6.928 3.187 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.442 7.090 0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.027 8.435 -0.126 1.00 0.00 H new ATOM 905 N TYR A 59 9.990 6.634 4.847 1.00 0.00 N ATOM 906 CA TYR A 59 8.622 6.147 4.833 1.00 0.00 C ATOM 907 C TYR A 59 7.809 6.826 3.730 1.00 0.00 C ATOM 908 O TYR A 59 7.949 8.026 3.499 1.00 0.00 O ATOM 909 CB TYR A 59 8.027 6.522 6.192 1.00 0.00 C ATOM 910 CG TYR A 59 8.950 6.230 7.377 1.00 0.00 C ATOM 911 CD1 TYR A 59 9.947 5.283 7.259 1.00 0.00 C ATOM 912 CD2 TYR A 59 8.786 6.915 8.565 1.00 0.00 C ATOM 913 CE1 TYR A 59 10.816 5.009 8.374 1.00 0.00 C ATOM 914 CE2 TYR A 59 9.655 6.640 9.680 1.00 0.00 C ATOM 915 CZ TYR A 59 10.627 5.701 9.529 1.00 0.00 C ATOM 916 OH TYR A 59 11.448 5.442 10.582 1.00 0.00 O ATOM 0 H TYR A 59 10.102 7.581 5.209 1.00 0.00 H new ATOM 0 HA TYR A 59 8.599 5.073 4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.781 7.584 6.189 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.092 5.979 6.330 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.075 4.747 6.330 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.006 7.657 8.658 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.600 4.271 8.295 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.537 7.168 10.615 1.00 0.00 H new ATOM 0 HH TYR A 59 11.198 6.011 11.340 1.00 0.00 H new ATOM 926 N LEU A 60 6.976 6.029 3.076 1.00 0.00 N ATOM 927 CA LEU A 60 6.140 6.539 2.002 1.00 0.00 C ATOM 928 C LEU A 60 4.955 7.299 2.601 1.00 0.00 C ATOM 929 O LEU A 60 4.092 6.704 3.243 1.00 0.00 O ATOM 930 CB LEU A 60 5.731 5.406 1.059 1.00 0.00 C ATOM 931 CG LEU A 60 4.881 5.812 -0.147 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.761 6.109 -1.363 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.821 4.752 -0.452 1.00 0.00 C ATOM 0 H LEU A 60 6.862 5.034 3.269 1.00 0.00 H new ATOM 0 HA LEU A 60 6.696 7.248 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.635 4.919 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.179 4.663 1.634 1.00 0.00 H new ATOM 0 HG LEU A 60 4.353 6.733 0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.132 6.395 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.445 6.925 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.334 5.219 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.231 5.065 -1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.309 3.802 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.167 4.632 0.412 1.00 0.00 H new ATOM 945 N ALA A 61 4.952 8.603 2.368 1.00 0.00 N ATOM 946 CA ALA A 61 3.887 9.451 2.877 1.00 0.00 C ATOM 947 C ALA A 61 3.453 10.429 1.783 1.00 0.00 C ATOM 948 O ALA A 61 4.247 10.786 0.913 1.00 0.00 O ATOM 949 CB ALA A 61 4.363 10.166 4.142 1.00 0.00 C ATOM 0 H ALA A 61 5.670 9.093 1.834 1.00 0.00 H new ATOM 0 HA ALA A 61 3.017 8.853 3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.564 10.802 4.523 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.631 9.428 4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.234 10.779 3.908 1.00 0.00 H new ATOM 955 N MET A 62 2.194 10.835 1.861 1.00 0.00 N ATOM 956 CA MET A 62 1.646 11.765 0.889 1.00 0.00 C ATOM 957 C MET A 62 1.436 13.148 1.509 1.00 0.00 C ATOM 958 O MET A 62 0.632 13.305 2.427 1.00 0.00 O ATOM 959 CB MET A 62 0.310 11.231 0.369 1.00 0.00 C ATOM 960 CG MET A 62 -0.253 12.137 -0.728 1.00 0.00 C ATOM 961 SD MET A 62 -1.686 11.376 -1.472 1.00 0.00 S ATOM 962 CE MET A 62 -0.963 9.850 -2.050 1.00 0.00 C ATOM 0 H MET A 62 1.538 10.537 2.583 1.00 0.00 H new ATOM 0 HA MET A 62 2.355 11.861 0.067 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.445 10.222 -0.021 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.403 11.163 1.191 1.00 0.00 H new ATOM 0 HG2 MET A 62 -0.522 13.106 -0.308 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.508 12.319 -1.487 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.555 9.457 -2.876 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.056 10.036 -2.390 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.947 9.124 -1.237 1.00 0.00 H new ATOM 972 N ASP A 63 2.174 14.115 0.984 1.00 0.00 N ATOM 973 CA ASP A 63 2.079 15.479 1.475 1.00 0.00 C ATOM 974 C ASP A 63 0.716 16.060 1.094 1.00 0.00 C ATOM 975 O ASP A 63 -0.205 15.319 0.754 1.00 0.00 O ATOM 976 CB ASP A 63 3.161 16.365 0.854 1.00 0.00 C ATOM 977 CG ASP A 63 4.047 17.104 1.858 1.00 0.00 C ATOM 978 OD1 ASP A 63 3.517 17.452 2.935 1.00 0.00 O ATOM 979 OD2 ASP A 63 5.236 17.305 1.526 1.00 0.00 O ATOM 0 H ASP A 63 2.840 13.981 0.223 1.00 0.00 H new ATOM 0 HA ASP A 63 2.208 15.457 2.557 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.795 15.747 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.681 17.099 0.207 1.00 0.00 H new ATOM 984 N THR A 64 0.631 17.380 1.165 1.00 0.00 N ATOM 985 CA THR A 64 -0.604 18.069 0.831 1.00 0.00 C ATOM 986 C THR A 64 -0.696 18.299 -0.678 1.00 0.00 C ATOM 987 O THR A 64 -1.777 18.556 -1.206 1.00 0.00 O ATOM 988 CB THR A 64 -0.660 19.362 1.648 1.00 0.00 C ATOM 989 OG1 THR A 64 0.457 20.115 1.182 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.361 19.132 3.130 1.00 0.00 C ATOM 0 H THR A 64 1.397 17.991 1.449 1.00 0.00 H new ATOM 0 HA THR A 64 -1.475 17.466 1.089 1.00 0.00 H new ATOM 0 HB THR A 64 -1.646 19.815 1.543 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.496 20.971 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.414 20.081 3.663 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.094 18.441 3.546 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.638 18.710 3.238 1.00 0.00 H new ATOM 998 N ASP A 65 0.453 18.199 -1.331 1.00 0.00 N ATOM 999 CA ASP A 65 0.516 18.393 -2.769 1.00 0.00 C ATOM 1000 C ASP A 65 -0.044 17.154 -3.472 1.00 0.00 C ATOM 1001 O ASP A 65 -0.245 17.162 -4.685 1.00 0.00 O ATOM 1002 CB ASP A 65 1.959 18.589 -3.236 1.00 0.00 C ATOM 1003 CG ASP A 65 2.809 19.497 -2.345 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.762 20.725 -2.577 1.00 0.00 O ATOM 1005 OD2 ASP A 65 3.486 18.944 -1.452 1.00 0.00 O ATOM 0 H ASP A 65 1.348 17.986 -0.890 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.066 19.281 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.440 17.613 -3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.946 19.004 -4.244 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.279 16.119 -2.679 1.00 0.00 N ATOM 1011 CA GLY A 66 -0.811 14.875 -3.209 1.00 0.00 C ATOM 1012 C GLY A 66 0.316 13.953 -3.680 1.00 0.00 C ATOM 1013 O GLY A 66 0.095 12.765 -3.911 1.00 0.00 O ATOM 0 H GLY A 66 -0.111 16.116 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.401 14.372 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.483 15.088 -4.040 1.00 0.00 H new ATOM 1017 N LEU A 67 1.499 14.535 -3.807 1.00 0.00 N ATOM 1018 CA LEU A 67 2.661 13.781 -4.246 1.00 0.00 C ATOM 1019 C LEU A 67 3.194 12.948 -3.078 1.00 0.00 C ATOM 1020 O LEU A 67 2.923 13.255 -1.918 1.00 0.00 O ATOM 1021 CB LEU A 67 3.705 14.715 -4.862 1.00 0.00 C ATOM 1022 CG LEU A 67 3.759 14.745 -6.391 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.352 14.826 -6.987 1.00 0.00 C ATOM 1024 CD2 LEU A 67 4.658 15.880 -6.885 1.00 0.00 C ATOM 0 H LEU A 67 1.678 15.520 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 67 2.386 13.083 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.514 15.727 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.688 14.426 -4.489 1.00 0.00 H new ATOM 0 HG LEU A 67 4.201 13.811 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.418 14.846 -8.075 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.774 13.956 -6.675 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.860 15.733 -6.637 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.679 15.879 -7.975 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.268 16.834 -6.530 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.669 15.737 -6.502 1.00 0.00 H new ATOM 1036 N LEU A 68 3.941 11.911 -3.425 1.00 0.00 N ATOM 1037 CA LEU A 68 4.514 11.031 -2.421 1.00 0.00 C ATOM 1038 C LEU A 68 5.949 11.470 -2.124 1.00 0.00 C ATOM 1039 O LEU A 68 6.663 11.919 -3.020 1.00 0.00 O ATOM 1040 CB LEU A 68 4.395 9.570 -2.857 1.00 0.00 C ATOM 1041 CG LEU A 68 2.973 9.041 -3.051 1.00 0.00 C ATOM 1042 CD1 LEU A 68 2.917 8.019 -4.189 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.416 8.474 -1.744 1.00 0.00 C ATOM 0 H LEU A 68 4.163 11.660 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 68 3.957 11.106 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.938 9.446 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.894 8.948 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 68 2.335 9.877 -3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.895 7.659 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.244 8.489 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.573 7.180 -3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.404 8.105 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.050 7.655 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.397 9.257 -0.986 1.00 0.00 H new ATOM 1055 N TYR A 69 6.330 11.324 -0.863 1.00 0.00 N ATOM 1056 CA TYR A 69 7.668 11.699 -0.438 1.00 0.00 C ATOM 1057 C TYR A 69 8.093 10.905 0.799 1.00 0.00 C ATOM 1058 O TYR A 69 7.252 10.350 1.504 1.00 0.00 O ATOM 1059 CB TYR A 69 7.594 13.184 -0.075 1.00 0.00 C ATOM 1060 CG TYR A 69 6.967 13.459 1.294 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.635 13.094 2.445 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.733 14.073 1.376 1.00 0.00 C ATOM 1063 CE1 TYR A 69 7.045 13.354 3.732 1.00 0.00 C ATOM 1064 CE2 TYR A 69 5.143 14.332 2.664 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.828 13.960 3.779 1.00 0.00 C ATOM 1066 OH TYR A 69 5.271 14.205 4.995 1.00 0.00 O ATOM 0 H TYR A 69 5.736 10.951 -0.122 1.00 0.00 H new ATOM 0 HA TYR A 69 8.392 11.497 -1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.600 13.603 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.018 13.706 -0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.600 12.613 2.380 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.211 14.359 0.475 1.00 0.00 H new ATOM 0 HE1 TYR A 69 7.557 13.074 4.641 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.178 14.811 2.743 1.00 0.00 H new ATOM 0 HH TYR A 69 4.403 14.643 4.875 1.00 0.00 H new ATOM 1076 N GLY A 70 9.398 10.875 1.024 1.00 0.00 N ATOM 1077 CA GLY A 70 9.945 10.158 2.163 1.00 0.00 C ATOM 1078 C GLY A 70 9.981 11.049 3.406 1.00 0.00 C ATOM 1079 O GLY A 70 10.603 12.110 3.397 1.00 0.00 O ATOM 0 H GLY A 70 10.093 11.336 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.342 9.272 2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.952 9.812 1.930 1.00 0.00 H new ATOM 1083 N SER A 71 9.305 10.585 4.447 1.00 0.00 N ATOM 1084 CA SER A 71 9.252 11.326 5.696 1.00 0.00 C ATOM 1085 C SER A 71 10.454 10.966 6.571 1.00 0.00 C ATOM 1086 O SER A 71 10.845 9.802 6.645 1.00 0.00 O ATOM 1087 CB SER A 71 7.947 11.049 6.446 1.00 0.00 C ATOM 1088 OG SER A 71 7.685 12.033 7.442 1.00 0.00 O ATOM 0 H SER A 71 8.789 9.705 4.451 1.00 0.00 H new ATOM 0 HA SER A 71 9.287 12.390 5.463 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.120 11.022 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.999 10.065 6.913 1.00 0.00 H new ATOM 0 HG SER A 71 7.749 11.624 8.330 1.00 0.00 H new ATOM 1094 N GLN A 72 11.007 11.986 7.210 1.00 0.00 N ATOM 1095 CA GLN A 72 12.157 11.791 8.077 1.00 0.00 C ATOM 1096 C GLN A 72 11.748 11.027 9.338 1.00 0.00 C ATOM 1097 O GLN A 72 12.528 10.240 9.872 1.00 0.00 O ATOM 1098 CB GLN A 72 12.808 13.129 8.434 1.00 0.00 C ATOM 1099 CG GLN A 72 14.280 12.940 8.804 1.00 0.00 C ATOM 1100 CD GLN A 72 15.164 13.952 8.071 1.00 0.00 C ATOM 1101 OE1 GLN A 72 15.826 13.643 7.094 1.00 0.00 O ATOM 1102 NE2 GLN A 72 15.137 15.173 8.595 1.00 0.00 N ATOM 0 H GLN A 72 10.680 12.950 7.145 1.00 0.00 H new ATOM 0 HA GLN A 72 12.896 11.197 7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.726 13.814 7.590 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.275 13.586 9.268 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.406 13.055 9.881 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.595 11.927 8.552 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.560 15.364 9.414 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.693 15.919 8.178 1.00 0.00 H new ATOM 1111 N THR A 73 10.525 11.285 9.777 1.00 0.00 N ATOM 1112 CA THR A 73 10.002 10.631 10.965 1.00 0.00 C ATOM 1113 C THR A 73 8.693 9.908 10.644 1.00 0.00 C ATOM 1114 O THR A 73 8.032 10.223 9.655 1.00 0.00 O ATOM 1115 CB THR A 73 9.860 11.688 12.062 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.387 12.842 11.373 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.211 12.123 12.635 1.00 0.00 C ATOM 0 H THR A 73 9.881 11.938 9.331 1.00 0.00 H new ATOM 0 HA THR A 73 10.683 9.859 11.324 1.00 0.00 H new ATOM 0 HB THR A 73 9.235 11.296 12.865 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.265 13.577 12.010 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.053 12.874 13.409 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.719 11.260 13.065 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.825 12.546 11.839 1.00 0.00 H new ATOM 1125 N PRO A 74 8.347 8.928 11.521 1.00 0.00 N ATOM 1126 CA PRO A 74 7.128 8.158 11.341 1.00 0.00 C ATOM 1127 C PRO A 74 5.897 8.983 11.724 1.00 0.00 C ATOM 1128 O PRO A 74 5.699 9.301 12.895 1.00 0.00 O ATOM 1129 CB PRO A 74 7.310 6.925 12.210 1.00 0.00 C ATOM 1130 CG PRO A 74 8.412 7.270 13.198 1.00 0.00 C ATOM 1131 CD PRO A 74 9.105 8.529 12.703 1.00 0.00 C ATOM 0 HA PRO A 74 6.958 7.875 10.302 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.385 6.673 12.729 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.583 6.059 11.607 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.996 7.429 14.193 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.124 6.449 13.278 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.095 9.311 13.462 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.149 8.336 12.457 1.00 0.00 H new ATOM 1139 N ASN A 75 5.103 9.305 10.714 1.00 0.00 N ATOM 1140 CA ASN A 75 3.897 10.086 10.929 1.00 0.00 C ATOM 1141 C ASN A 75 2.702 9.350 10.320 1.00 0.00 C ATOM 1142 O ASN A 75 2.859 8.582 9.373 1.00 0.00 O ATOM 1143 CB ASN A 75 4.001 11.457 10.257 1.00 0.00 C ATOM 1144 CG ASN A 75 3.070 12.469 10.929 1.00 0.00 C ATOM 1145 OD1 ASN A 75 2.940 12.522 12.141 1.00 0.00 O ATOM 1146 ND2 ASN A 75 2.433 13.266 10.077 1.00 0.00 N ATOM 0 H ASN A 75 5.271 9.039 9.744 1.00 0.00 H new ATOM 0 HA ASN A 75 3.769 10.220 12.003 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.030 11.814 10.308 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.746 11.369 9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.789 13.976 10.427 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.588 13.168 9.074 1.00 0.00 H new ATOM 1153 N GLU A 76 1.534 9.612 10.889 1.00 0.00 N ATOM 1154 CA GLU A 76 0.313 8.984 10.414 1.00 0.00 C ATOM 1155 C GLU A 76 0.223 9.083 8.890 1.00 0.00 C ATOM 1156 O GLU A 76 -0.425 8.257 8.248 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.918 9.606 11.077 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.249 8.899 12.393 1.00 0.00 C ATOM 1159 CD GLU A 76 -2.174 9.756 13.259 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -3.162 10.273 12.693 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -1.873 9.874 14.466 1.00 0.00 O ATOM 0 H GLU A 76 1.408 10.251 11.674 1.00 0.00 H new ATOM 0 HA GLU A 76 0.340 7.930 10.689 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.739 10.665 11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.771 9.542 10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.725 7.940 12.185 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.329 8.687 12.937 1.00 0.00 H new ATOM 1168 N GLU A 77 0.883 10.099 8.355 1.00 0.00 N ATOM 1169 CA GLU A 77 0.887 10.317 6.919 1.00 0.00 C ATOM 1170 C GLU A 77 1.555 9.140 6.205 1.00 0.00 C ATOM 1171 O GLU A 77 1.211 8.823 5.067 1.00 0.00 O ATOM 1172 CB GLU A 77 1.576 11.636 6.565 1.00 0.00 C ATOM 1173 CG GLU A 77 0.643 12.824 6.806 1.00 0.00 C ATOM 1174 CD GLU A 77 1.135 14.067 6.061 1.00 0.00 C ATOM 1175 OE1 GLU A 77 1.053 14.051 4.814 1.00 0.00 O ATOM 1176 OE2 GLU A 77 1.582 15.005 6.756 1.00 0.00 O ATOM 0 H GLU A 77 1.419 10.781 8.891 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.147 10.384 6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.479 11.751 7.164 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.887 11.619 5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.365 12.573 6.475 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.585 13.035 7.874 1.00 0.00 H new ATOM 1183 N CYS A 78 2.498 8.525 6.903 1.00 0.00 N ATOM 1184 CA CYS A 78 3.218 7.390 6.350 1.00 0.00 C ATOM 1185 C CYS A 78 2.305 6.164 6.414 1.00 0.00 C ATOM 1186 O CYS A 78 2.485 5.212 5.657 1.00 0.00 O ATOM 1187 CB CYS A 78 4.543 7.152 7.078 1.00 0.00 C ATOM 1188 SG CYS A 78 5.547 8.682 7.066 1.00 0.00 S ATOM 0 H CYS A 78 2.780 8.791 7.846 1.00 0.00 H new ATOM 0 HA CYS A 78 3.480 7.593 5.312 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.352 6.840 8.105 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.092 6.343 6.596 1.00 0.00 H new ATOM 0 HG CYS A 78 4.894 9.634 7.663 1.00 0.00 H new ATOM 1194 N LEU A 79 1.343 6.229 7.323 1.00 0.00 N ATOM 1195 CA LEU A 79 0.401 5.136 7.495 1.00 0.00 C ATOM 1196 C LEU A 79 -0.779 5.332 6.541 1.00 0.00 C ATOM 1197 O LEU A 79 -1.351 6.419 6.470 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.009 5.009 8.964 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.057 3.938 9.277 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.662 2.591 8.668 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.303 3.836 10.783 1.00 0.00 C ATOM 0 H LEU A 79 1.196 7.021 7.948 1.00 0.00 H new ATOM 0 HA LEU A 79 0.867 4.186 7.235 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.884 4.799 9.553 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.392 5.973 9.299 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.999 4.236 8.817 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.423 1.847 8.905 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.577 2.692 7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.296 2.273 9.079 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.052 3.068 10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.373 3.572 11.287 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.660 4.795 11.159 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.109 4.262 5.832 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.211 4.302 4.886 1.00 0.00 C ATOM 1215 C PHE A 80 -3.212 3.179 5.162 1.00 0.00 C ATOM 1216 O PHE A 80 -2.904 2.232 5.885 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.611 4.104 3.493 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.845 5.320 2.966 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.257 5.766 3.626 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.266 5.953 1.839 1.00 0.00 C ATOM 1221 CE1 PHE A 80 0.968 6.894 3.138 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.555 7.081 1.351 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.547 7.528 2.010 1.00 0.00 C ATOM 0 H PHE A 80 -0.632 3.362 5.894 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.740 5.251 4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.939 3.246 3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.412 3.862 2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.591 5.262 4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.141 5.598 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.843 7.249 3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.890 7.584 0.456 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.088 8.386 1.638 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.390 3.320 4.571 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.438 2.329 4.745 1.00 0.00 C ATOM 1235 C LEU A 81 -5.537 1.472 3.481 1.00 0.00 C ATOM 1236 O LEU A 81 -5.680 1.999 2.379 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.754 3.004 5.135 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.638 4.211 6.068 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -5.677 3.921 7.222 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.240 5.468 5.292 1.00 0.00 C ATOM 0 H LEU A 81 -4.641 4.106 3.971 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.195 1.657 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.260 3.322 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.393 2.261 5.612 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.618 4.400 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.613 4.795 7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.044 3.070 7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.689 3.691 6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.165 6.311 5.979 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.277 5.307 4.808 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.995 5.683 4.536 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.456 0.165 3.683 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.535 -0.770 2.574 1.00 0.00 C ATOM 1254 C GLU A 82 -6.861 -1.531 2.614 1.00 0.00 C ATOM 1255 O GLU A 82 -7.336 -1.902 3.687 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.348 -1.735 2.585 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.626 -2.956 1.706 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.097 -4.143 2.549 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -6.260 -4.089 3.005 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -4.284 -5.078 2.717 1.00 0.00 O ATOM 0 H GLU A 82 -5.336 -0.268 4.599 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.492 -0.204 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.454 -1.222 2.229 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.145 -2.056 3.607 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.385 -2.709 0.964 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.723 -3.229 1.160 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.423 -1.742 1.433 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.685 -2.452 1.320 1.00 0.00 C ATOM 1269 C ARG A 83 -8.684 -3.343 0.076 1.00 0.00 C ATOM 1270 O ARG A 83 -7.821 -3.205 -0.790 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.861 -1.477 1.239 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.740 -1.573 2.488 1.00 0.00 C ATOM 1273 CD ARG A 83 -12.178 -1.946 2.119 1.00 0.00 C ATOM 1274 NE ARG A 83 -12.427 -3.372 2.429 1.00 0.00 N ATOM 1275 CZ ARG A 83 -13.629 -3.958 2.352 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -14.699 -3.246 1.975 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -13.761 -5.257 2.653 1.00 0.00 N ATOM 0 H ARG A 83 -7.027 -1.433 0.545 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.799 -3.068 2.212 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.487 -0.459 1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.457 -1.694 0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.330 -2.319 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.732 -0.620 3.017 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.878 -1.318 2.670 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.350 -1.760 1.059 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.634 -3.944 2.719 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.599 -2.257 1.746 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.614 -3.693 1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -12.946 -5.799 2.941 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.676 -5.704 2.595 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.661 -4.236 0.025 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.783 -5.149 -1.099 1.00 0.00 C ATOM 1293 C LEU A 84 -10.827 -4.608 -2.078 1.00 0.00 C ATOM 1294 O LEU A 84 -12.022 -4.619 -1.786 1.00 0.00 O ATOM 1295 CB LEU A 84 -10.078 -6.567 -0.608 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.747 -7.698 -1.584 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -10.701 -7.687 -2.780 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -8.282 -7.634 -2.020 1.00 0.00 C ATOM 0 H LEU A 84 -10.376 -4.347 0.744 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.840 -5.214 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.520 -6.734 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.137 -6.630 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.889 -8.647 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -10.444 -8.501 -3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.725 -7.816 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.615 -6.736 -3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.073 -8.449 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.090 -6.680 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.638 -7.727 -1.146 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.338 -4.146 -3.220 1.00 0.00 N ATOM 1311 CA GLU A 85 -11.213 -3.602 -4.244 1.00 0.00 C ATOM 1312 C GLU A 85 -11.467 -4.645 -5.334 1.00 0.00 C ATOM 1313 O GLU A 85 -10.713 -5.608 -5.464 1.00 0.00 O ATOM 1314 CB GLU A 85 -10.630 -2.318 -4.837 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.738 -1.157 -3.846 1.00 0.00 C ATOM 1316 CD GLU A 85 -12.030 -0.368 -4.064 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -13.103 -1.004 -3.986 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -11.915 0.853 -4.304 1.00 0.00 O ATOM 0 H GLU A 85 -9.346 -4.137 -3.458 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.167 -3.349 -3.783 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.585 -2.478 -5.103 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.158 -2.066 -5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.710 -1.541 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.880 -0.495 -3.961 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.531 -4.417 -6.090 1.00 0.00 N ATOM 1326 CA GLU A 86 -12.894 -5.325 -7.165 1.00 0.00 C ATOM 1327 C GLU A 86 -11.789 -5.363 -8.223 1.00 0.00 C ATOM 1328 O GLU A 86 -10.868 -4.548 -8.193 1.00 0.00 O ATOM 1329 CB GLU A 86 -14.235 -4.930 -7.787 1.00 0.00 C ATOM 1330 CG GLU A 86 -15.335 -5.915 -7.386 1.00 0.00 C ATOM 1331 CD GLU A 86 -16.546 -5.791 -8.314 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -16.314 -5.650 -9.534 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -17.676 -5.841 -7.782 1.00 0.00 O ATOM 0 H GLU A 86 -13.153 -3.617 -5.979 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.005 -6.326 -6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.507 -3.925 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -14.143 -4.904 -8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.947 -6.933 -7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.640 -5.726 -6.357 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.917 -6.318 -9.132 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.940 -6.473 -10.197 1.00 0.00 C ATOM 1342 C ASN A 87 -9.732 -7.247 -9.667 1.00 0.00 C ATOM 1343 O ASN A 87 -8.801 -7.540 -10.415 1.00 0.00 O ATOM 1344 CB ASN A 87 -10.449 -5.113 -10.696 1.00 0.00 C ATOM 1345 CG ASN A 87 -10.200 -5.140 -12.206 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -11.094 -4.939 -13.012 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -8.940 -5.399 -12.541 1.00 0.00 N ATOM 0 H ASN A 87 -12.682 -6.992 -9.153 1.00 0.00 H new ATOM 0 HA ASN A 87 -11.418 -7.007 -11.018 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.187 -4.347 -10.459 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -9.530 -4.841 -10.177 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -8.672 -5.439 -13.524 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.242 -5.558 -11.815 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.785 -7.555 -8.379 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.706 -8.289 -7.740 1.00 0.00 C ATOM 1356 C HIS A 88 -7.492 -7.373 -7.572 1.00 0.00 C ATOM 1357 O HIS A 88 -6.395 -7.702 -8.020 1.00 0.00 O ATOM 1358 CB HIS A 88 -8.383 -9.566 -8.517 1.00 0.00 C ATOM 1359 CG HIS A 88 -7.820 -10.678 -7.664 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -7.656 -11.970 -8.131 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -7.386 -10.677 -6.372 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -7.145 -12.706 -7.154 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -6.979 -11.903 -6.065 1.00 0.00 N ATOM 0 H HIS A 88 -10.558 -7.310 -7.761 1.00 0.00 H new ATOM 0 HA HIS A 88 -9.017 -8.608 -6.745 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -9.290 -9.921 -9.006 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -7.668 -9.329 -9.305 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -7.375 -9.824 -5.710 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -6.903 -13.757 -7.211 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.604 -12.196 -5.163 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.729 -6.241 -6.925 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.669 -5.276 -6.692 1.00 0.00 C ATOM 1373 C TYR A 89 -6.827 -4.606 -5.325 1.00 0.00 C ATOM 1374 O TYR A 89 -7.940 -4.479 -4.818 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.815 -4.216 -7.786 1.00 0.00 C ATOM 1376 CG TYR A 89 -6.120 -4.578 -9.100 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.862 -5.147 -9.081 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.749 -4.335 -10.304 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -4.208 -5.487 -10.317 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -6.094 -4.675 -11.540 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.856 -5.234 -11.486 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.237 -5.556 -12.654 1.00 0.00 O ATOM 0 H TYR A 89 -8.640 -5.971 -6.555 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.695 -5.765 -6.711 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.875 -4.053 -7.980 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.409 -3.273 -7.420 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.369 -5.337 -8.139 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.733 -3.890 -10.319 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.224 -5.933 -10.316 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.575 -4.490 -12.489 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.817 -5.320 -13.408 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.697 -4.196 -4.769 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.696 -3.543 -3.471 1.00 0.00 C ATOM 1394 C ASN A 90 -5.459 -2.043 -3.660 1.00 0.00 C ATOM 1395 O ASN A 90 -4.850 -1.627 -4.644 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.580 -4.090 -2.579 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.498 -5.614 -2.676 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.400 -6.190 -3.747 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.544 -6.234 -1.500 1.00 0.00 N ATOM 0 H ASN A 90 -4.776 -4.303 -5.193 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.660 -3.732 -2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.626 -3.652 -2.873 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.760 -3.797 -1.545 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.497 -7.252 -1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.627 -5.691 -0.640 1.00 0.00 H new ATOM 1406 N THR A 91 -5.951 -1.273 -2.701 1.00 0.00 N ATOM 1407 CA THR A 91 -5.800 0.171 -2.749 1.00 0.00 C ATOM 1408 C THR A 91 -5.148 0.683 -1.463 1.00 0.00 C ATOM 1409 O THR A 91 -5.013 -0.061 -0.493 1.00 0.00 O ATOM 1410 CB THR A 91 -7.177 0.782 -3.016 1.00 0.00 C ATOM 1411 OG1 THR A 91 -8.062 0.011 -2.208 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.663 0.530 -4.445 1.00 0.00 C ATOM 0 H THR A 91 -6.455 -1.622 -1.886 1.00 0.00 H new ATOM 0 HA THR A 91 -5.132 0.471 -3.557 1.00 0.00 H new ATOM 0 HB THR A 91 -7.139 1.855 -2.829 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.945 0.436 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.644 0.984 -4.581 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.959 0.969 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.733 -0.543 -4.622 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.760 1.949 -1.498 1.00 0.00 N ATOM 1421 CA TYR A 92 -4.125 2.569 -0.347 1.00 0.00 C ATOM 1422 C TYR A 92 -4.500 4.049 -0.244 1.00 0.00 C ATOM 1423 O TYR A 92 -4.449 4.776 -1.235 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.618 2.452 -0.584 1.00 0.00 C ATOM 1425 CG TYR A 92 -2.126 1.015 -0.770 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.375 0.069 0.204 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.434 0.665 -1.911 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.913 -1.283 0.028 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.972 -0.687 -2.087 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.234 -1.595 -1.108 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.797 -2.872 -1.273 1.00 0.00 O ATOM 0 H TYR A 92 -4.873 2.563 -2.305 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.443 2.082 0.575 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.354 3.033 -1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.092 2.899 0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.916 0.343 1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.239 1.406 -2.672 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.102 -2.033 0.782 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.430 -0.974 -2.976 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.329 -2.949 -2.131 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.868 4.451 0.963 1.00 0.00 N ATOM 1442 CA ILE A 93 -5.251 5.830 1.208 1.00 0.00 C ATOM 1443 C ILE A 93 -4.511 6.349 2.443 1.00 0.00 C ATOM 1444 O ILE A 93 -4.375 5.636 3.435 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.773 5.954 1.307 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.430 5.743 -0.059 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -7.175 7.290 1.935 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.909 5.384 0.094 1.00 0.00 C ATOM 0 H ILE A 93 -4.909 3.845 1.783 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.956 6.461 0.370 1.00 0.00 H new ATOM 0 HB ILE A 93 -7.137 5.166 1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -7.332 6.649 -0.658 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.913 4.948 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.262 7.352 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.753 7.363 2.937 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.797 8.108 1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -9.352 5.239 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.002 4.465 0.672 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.428 6.192 0.610 1.00 0.00 H new ATOM 1460 N SER A 94 -4.051 7.588 2.340 1.00 0.00 N ATOM 1461 CA SER A 94 -3.328 8.211 3.436 1.00 0.00 C ATOM 1462 C SER A 94 -4.275 8.465 4.610 1.00 0.00 C ATOM 1463 O SER A 94 -5.412 8.893 4.414 1.00 0.00 O ATOM 1464 CB SER A 94 -2.672 9.519 2.990 1.00 0.00 C ATOM 1465 OG SER A 94 -1.662 9.947 3.899 1.00 0.00 O ATOM 0 H SER A 94 -4.165 8.177 1.515 1.00 0.00 H new ATOM 0 HA SER A 94 -2.538 7.531 3.755 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.236 9.387 2.000 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.433 10.295 2.902 1.00 0.00 H new ATOM 0 HG SER A 94 -1.266 10.784 3.578 1.00 0.00 H new ATOM 1471 N LYS A 95 -3.772 8.192 5.805 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.559 8.387 7.011 1.00 0.00 C ATOM 1473 C LYS A 95 -4.859 9.877 7.184 1.00 0.00 C ATOM 1474 O LYS A 95 -5.981 10.320 6.944 1.00 0.00 O ATOM 1475 CB LYS A 95 -3.858 7.756 8.216 1.00 0.00 C ATOM 1476 CG LYS A 95 -4.864 7.060 9.134 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.635 7.450 10.595 1.00 0.00 C ATOM 1478 CE LYS A 95 -5.922 7.308 11.409 1.00 0.00 C ATOM 1479 NZ LYS A 95 -6.153 8.517 12.231 1.00 0.00 N ATOM 0 H LYS A 95 -2.829 7.837 5.964 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.518 7.877 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.115 7.036 7.873 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.323 8.525 8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -5.878 7.328 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.775 5.979 9.024 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -3.857 6.820 11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.278 8.479 10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.767 7.150 10.739 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -5.857 6.431 12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.031 8.403 12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.354 8.651 12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.236 9.348 11.611 1.00 0.00 H new ATOM 1493 N LYS A 96 -3.836 10.609 7.600 1.00 0.00 N ATOM 1494 CA LYS A 96 -3.977 12.040 7.808 1.00 0.00 C ATOM 1495 C LYS A 96 -4.778 12.643 6.653 1.00 0.00 C ATOM 1496 O LYS A 96 -5.458 13.654 6.826 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.606 12.689 8.011 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.440 13.184 9.449 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.013 13.677 9.698 1.00 0.00 C ATOM 1500 CE LYS A 96 -0.927 14.467 11.005 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.621 15.889 10.732 1.00 0.00 N ATOM 0 H LYS A 96 -2.907 10.238 7.798 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.537 12.239 8.722 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.821 11.969 7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.489 13.524 7.320 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.146 13.991 9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.677 12.379 10.144 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.332 12.827 9.737 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.691 14.305 8.867 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.870 14.389 11.546 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.155 14.039 11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.566 16.411 11.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.290 15.959 10.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.371 16.298 10.139 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.671 11.998 5.501 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.378 12.458 4.317 1.00 0.00 C ATOM 1517 C HIS A 97 -6.245 11.326 3.765 1.00 0.00 C ATOM 1518 O HIS A 97 -6.082 10.917 2.616 1.00 0.00 O ATOM 1519 CB HIS A 97 -4.398 13.014 3.281 1.00 0.00 C ATOM 1520 CG HIS A 97 -3.232 13.764 3.879 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -2.818 15.000 3.416 1.00 0.00 N ATOM 1522 CD2 HIS A 97 -2.397 13.440 4.908 1.00 0.00 C ATOM 1523 CE1 HIS A 97 -1.780 15.393 4.139 1.00 0.00 C ATOM 1524 NE2 HIS A 97 -1.520 14.424 5.063 1.00 0.00 N ATOM 0 H HIS A 97 -4.106 11.161 5.362 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.042 13.281 4.582 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.016 12.190 2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -4.937 13.679 2.606 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -3.241 15.521 2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.442 12.536 5.497 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.235 16.318 4.018 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.150 10.851 4.609 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.044 9.774 4.220 1.00 0.00 C ATOM 1534 C ALA A 98 -9.336 10.368 3.655 1.00 0.00 C ATOM 1535 O ALA A 98 -9.830 9.919 2.622 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.298 8.862 5.421 1.00 0.00 C ATOM 0 H ALA A 98 -7.283 11.193 5.561 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.592 9.164 3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -8.969 8.054 5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.353 8.442 5.765 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.754 9.439 6.226 1.00 0.00 H new ATOM 1542 N GLU A 99 -9.846 11.369 4.358 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.071 12.029 3.940 1.00 0.00 C ATOM 1544 C GLU A 99 -10.846 12.783 2.627 1.00 0.00 C ATOM 1545 O GLU A 99 -11.802 13.177 1.962 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.587 12.969 5.031 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.593 12.257 5.937 1.00 0.00 C ATOM 1548 CD GLU A 99 -13.467 13.266 6.685 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -12.904 14.295 7.117 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -14.679 12.985 6.808 1.00 0.00 O ATOM 0 H GLU A 99 -9.433 11.739 5.214 1.00 0.00 H new ATOM 0 HA GLU A 99 -11.833 11.267 3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.751 13.334 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.057 13.840 4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.223 11.598 5.340 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.062 11.629 6.653 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.576 12.960 2.294 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.213 13.660 1.073 1.00 0.00 C ATOM 1559 C LYS A 100 -9.363 12.711 -0.117 1.00 0.00 C ATOM 1560 O LYS A 100 -9.206 13.121 -1.266 1.00 0.00 O ATOM 1561 CB LYS A 100 -7.817 14.271 1.201 1.00 0.00 C ATOM 1562 CG LYS A 100 -7.651 14.985 2.544 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.083 16.392 2.350 1.00 0.00 C ATOM 1564 CE LYS A 100 -6.192 16.791 3.528 1.00 0.00 C ATOM 1565 NZ LYS A 100 -5.426 18.016 3.208 1.00 0.00 N ATOM 0 H LYS A 100 -8.785 12.631 2.848 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.887 14.498 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.064 13.489 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.649 14.976 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.615 15.045 3.050 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.988 14.407 3.188 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.508 16.431 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.900 17.107 2.249 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.804 16.959 4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.506 15.978 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.827 18.272 4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.827 17.843 2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.085 18.794 3.005 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.665 11.460 0.199 1.00 0.00 N ATOM 1580 CA ASN A 101 -9.837 10.449 -0.831 1.00 0.00 C ATOM 1581 C ASN A 101 -8.646 10.494 -1.789 1.00 0.00 C ATOM 1582 O ASN A 101 -8.806 10.797 -2.971 1.00 0.00 O ATOM 1583 CB ASN A 101 -11.108 10.702 -1.644 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.191 11.354 -0.781 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.171 12.544 -0.509 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -13.133 10.512 -0.368 1.00 0.00 N ATOM 0 H ASN A 101 -9.795 11.124 1.153 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.909 9.478 -0.341 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -10.879 11.346 -2.493 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.479 9.760 -2.049 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.900 10.850 0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.089 9.528 -0.633 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.477 10.189 -1.244 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.259 10.191 -2.036 1.00 0.00 C ATOM 1595 C TRP A 102 -5.758 8.749 -2.137 1.00 0.00 C ATOM 1596 O TRP A 102 -5.678 8.044 -1.132 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.220 11.145 -1.442 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.651 12.613 -1.441 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -6.745 13.152 -1.996 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -4.948 13.715 -0.830 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -6.799 14.515 -1.789 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.671 14.868 -1.057 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.741 13.737 -0.109 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.269 16.128 -0.597 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.353 15.003 0.344 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.069 16.174 0.124 1.00 0.00 C ATOM 0 H TRP A 102 -7.348 9.939 -0.264 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.454 10.563 -3.042 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -5.005 10.840 -0.418 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.291 11.050 -2.005 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.491 12.590 -2.538 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.531 15.147 -2.113 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.159 12.847 0.080 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -5.853 17.016 -0.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.432 15.075 0.904 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.702 17.115 0.507 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.433 8.354 -3.359 1.00 0.00 N ATOM 1618 CA PHE A 103 -4.942 7.008 -3.605 1.00 0.00 C ATOM 1619 C PHE A 103 -3.520 7.038 -4.169 1.00 0.00 C ATOM 1620 O PHE A 103 -3.148 7.974 -4.874 1.00 0.00 O ATOM 1621 CB PHE A 103 -5.875 6.373 -4.638 1.00 0.00 C ATOM 1622 CG PHE A 103 -7.332 6.271 -4.182 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -8.161 7.341 -4.308 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.797 5.109 -3.650 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.513 7.246 -3.884 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -9.149 5.014 -3.226 1.00 0.00 C ATOM 1627 CZ PHE A 103 -9.978 6.084 -3.352 1.00 0.00 C ATOM 0 H PHE A 103 -5.500 8.942 -4.190 1.00 0.00 H new ATOM 0 HA PHE A 103 -4.923 6.443 -2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.833 6.957 -5.558 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.509 5.374 -4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.791 8.264 -4.731 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.138 4.259 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -10.172 8.096 -3.984 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.519 4.091 -2.803 1.00 0.00 H new ATOM 0 HZ PHE A 103 -11.006 6.011 -3.030 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.765 6.001 -3.837 1.00 0.00 N ATOM 1638 CA VAL A 104 -1.392 5.897 -4.301 1.00 0.00 C ATOM 1639 C VAL A 104 -1.370 5.193 -5.659 1.00 0.00 C ATOM 1640 O VAL A 104 -1.354 3.965 -5.726 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.535 5.191 -3.248 1.00 0.00 C ATOM 1642 CG1 VAL A 104 0.936 5.160 -3.668 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.700 5.849 -1.876 1.00 0.00 C ATOM 0 H VAL A 104 -3.078 5.226 -3.253 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.960 6.888 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.882 4.161 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.522 4.653 -2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 104 1.033 4.625 -4.613 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.301 6.180 -3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.080 5.328 -1.146 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.393 6.893 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.745 5.795 -1.570 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.370 6.001 -6.709 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.350 5.471 -8.062 1.00 0.00 C ATOM 1655 C GLY A 105 -0.294 6.179 -8.913 1.00 0.00 C ATOM 1656 O GLY A 105 0.266 7.193 -8.497 1.00 0.00 O ATOM 0 H GLY A 105 -1.384 7.019 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.142 4.401 -8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -2.332 5.593 -8.519 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.053 5.617 -10.088 1.00 0.00 N ATOM 1661 CA LEU A 106 0.926 6.182 -11.001 1.00 0.00 C ATOM 1662 C LEU A 106 0.322 6.263 -12.404 1.00 0.00 C ATOM 1663 O LEU A 106 -0.648 5.569 -12.707 1.00 0.00 O ATOM 1664 CB LEU A 106 2.235 5.391 -10.940 1.00 0.00 C ATOM 1665 CG LEU A 106 2.809 5.152 -9.542 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.306 3.713 -9.392 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.902 6.172 -9.217 1.00 0.00 C ATOM 0 H LEU A 106 -0.519 4.776 -10.429 1.00 0.00 H new ATOM 0 HA LEU A 106 1.181 7.199 -10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 106 2.074 4.423 -11.416 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.983 5.918 -11.533 1.00 0.00 H new ATOM 0 HG LEU A 106 2.009 5.294 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.709 3.570 -8.389 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.477 3.023 -9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.086 3.519 -10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.293 5.980 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.708 6.086 -9.945 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.484 7.178 -9.256 1.00 0.00 H new ATOM 1679 N LYS A 107 0.919 7.116 -13.223 1.00 0.00 N ATOM 1680 CA LYS A 107 0.451 7.297 -14.587 1.00 0.00 C ATOM 1681 C LYS A 107 1.078 6.226 -15.482 1.00 0.00 C ATOM 1682 O LYS A 107 1.727 5.304 -14.992 1.00 0.00 O ATOM 1683 CB LYS A 107 0.718 8.727 -15.059 1.00 0.00 C ATOM 1684 CG LYS A 107 -0.296 9.702 -14.457 1.00 0.00 C ATOM 1685 CD LYS A 107 -0.616 10.835 -15.434 1.00 0.00 C ATOM 1686 CE LYS A 107 -1.087 12.085 -14.689 1.00 0.00 C ATOM 1687 NZ LYS A 107 -2.552 12.246 -14.821 1.00 0.00 N ATOM 0 H LYS A 107 1.723 7.690 -12.968 1.00 0.00 H new ATOM 0 HA LYS A 107 -0.630 7.165 -14.641 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.727 9.025 -14.775 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.667 8.770 -16.147 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -1.211 9.168 -14.202 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.100 10.117 -13.530 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.269 11.071 -16.025 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.388 10.511 -16.132 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.817 12.011 -13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.581 12.965 -15.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.855 13.099 -14.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.802 12.338 -15.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.030 11.414 -14.420 1.00 0.00 H new ATOM 1701 N LYS A 108 0.862 6.385 -16.780 1.00 0.00 N ATOM 1702 CA LYS A 108 1.398 5.444 -17.748 1.00 0.00 C ATOM 1703 C LYS A 108 2.846 5.819 -18.070 1.00 0.00 C ATOM 1704 O LYS A 108 3.595 5.008 -18.615 1.00 0.00 O ATOM 1705 CB LYS A 108 0.494 5.369 -18.980 1.00 0.00 C ATOM 1706 CG LYS A 108 0.421 3.940 -19.522 1.00 0.00 C ATOM 1707 CD LYS A 108 1.338 3.766 -20.735 1.00 0.00 C ATOM 1708 CE LYS A 108 0.775 4.498 -21.955 1.00 0.00 C ATOM 1709 NZ LYS A 108 1.415 4.004 -23.195 1.00 0.00 N ATOM 0 H LYS A 108 0.323 7.151 -17.183 1.00 0.00 H new ATOM 0 HA LYS A 108 1.414 4.437 -17.331 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.507 5.715 -18.722 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.873 6.036 -19.754 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.708 3.236 -18.741 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.606 3.705 -19.801 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.332 4.149 -20.503 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.450 2.706 -20.962 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -0.303 4.349 -22.011 1.00 0.00 H new ATOM 0 HE3 LYS A 108 0.944 5.570 -21.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 1.022 4.511 -24.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.441 4.168 -23.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.232 2.985 -23.298 1.00 0.00 H new ATOM 1723 N ASN A 109 3.198 7.047 -17.721 1.00 0.00 N ATOM 1724 CA ASN A 109 4.543 7.540 -17.966 1.00 0.00 C ATOM 1725 C ASN A 109 5.436 7.182 -16.776 1.00 0.00 C ATOM 1726 O ASN A 109 6.592 7.600 -16.716 1.00 0.00 O ATOM 1727 CB ASN A 109 4.552 9.061 -18.124 1.00 0.00 C ATOM 1728 CG ASN A 109 5.208 9.472 -19.444 1.00 0.00 C ATOM 1729 OD1 ASN A 109 5.205 8.742 -20.421 1.00 0.00 O ATOM 1730 ND2 ASN A 109 5.769 10.677 -19.417 1.00 0.00 N ATOM 0 H ASN A 109 2.575 7.716 -17.270 1.00 0.00 H new ATOM 0 HA ASN A 109 4.909 7.081 -18.884 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.531 9.440 -18.088 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.089 9.513 -17.291 1.00 0.00 H new ATOM 0 HD21 ASN A 109 6.233 11.042 -20.249 1.00 0.00 H new ATOM 0 HD22 ASN A 109 5.735 11.236 -18.565 1.00 0.00 H new ATOM 1737 N GLY A 110 4.868 6.413 -15.860 1.00 0.00 N ATOM 1738 CA GLY A 110 5.599 5.994 -14.676 1.00 0.00 C ATOM 1739 C GLY A 110 5.758 7.155 -13.691 1.00 0.00 C ATOM 1740 O GLY A 110 6.802 7.297 -13.057 1.00 0.00 O ATOM 0 H GLY A 110 3.909 6.069 -15.913 1.00 0.00 H new ATOM 0 HA2 GLY A 110 5.073 5.171 -14.192 1.00 0.00 H new ATOM 0 HA3 GLY A 110 6.581 5.619 -14.964 1.00 0.00 H new ATOM 1744 N SER A 111 4.706 7.955 -13.594 1.00 0.00 N ATOM 1745 CA SER A 111 4.716 9.098 -12.697 1.00 0.00 C ATOM 1746 C SER A 111 3.656 8.918 -11.608 1.00 0.00 C ATOM 1747 O SER A 111 2.608 8.322 -11.850 1.00 0.00 O ATOM 1748 CB SER A 111 4.474 10.400 -13.463 1.00 0.00 C ATOM 1749 OG SER A 111 5.281 10.489 -14.634 1.00 0.00 O ATOM 0 H SER A 111 3.841 7.834 -14.122 1.00 0.00 H new ATOM 0 HA SER A 111 5.699 9.159 -12.231 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.422 10.466 -13.742 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.685 11.248 -12.812 1.00 0.00 H new ATOM 0 HG SER A 111 5.096 11.333 -15.096 1.00 0.00 H new ATOM 1755 N CYS A 112 3.966 9.445 -10.433 1.00 0.00 N ATOM 1756 CA CYS A 112 3.053 9.350 -9.306 1.00 0.00 C ATOM 1757 C CYS A 112 1.808 10.180 -9.625 1.00 0.00 C ATOM 1758 O CYS A 112 1.915 11.304 -10.111 1.00 0.00 O ATOM 1759 CB CYS A 112 3.717 9.795 -8.001 1.00 0.00 C ATOM 1760 SG CYS A 112 4.326 11.513 -8.164 1.00 0.00 S ATOM 0 H CYS A 112 4.836 9.939 -10.236 1.00 0.00 H new ATOM 0 HA CYS A 112 2.766 8.310 -9.154 1.00 0.00 H new ATOM 0 HB2 CYS A 112 3.004 9.730 -7.179 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.545 9.128 -7.758 1.00 0.00 H new ATOM 0 HG CYS A 112 3.598 12.151 -9.031 1.00 0.00 H new ATOM 1766 N LYS A 113 0.656 9.593 -9.339 1.00 0.00 N ATOM 1767 CA LYS A 113 -0.609 10.264 -9.589 1.00 0.00 C ATOM 1768 C LYS A 113 -1.013 11.060 -8.347 1.00 0.00 C ATOM 1769 O LYS A 113 -1.270 10.482 -7.291 1.00 0.00 O ATOM 1770 CB LYS A 113 -1.667 9.258 -10.047 1.00 0.00 C ATOM 1771 CG LYS A 113 -2.846 9.970 -10.716 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.056 9.040 -10.826 1.00 0.00 C ATOM 1773 CE LYS A 113 -5.152 9.667 -11.689 1.00 0.00 C ATOM 1774 NZ LYS A 113 -5.178 9.041 -13.030 1.00 0.00 N ATOM 0 H LYS A 113 0.571 8.660 -8.936 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.507 10.978 -10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.222 8.549 -10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.022 8.683 -9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.115 10.856 -10.141 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.554 10.311 -11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.749 8.087 -11.257 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.448 8.828 -9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.120 9.543 -11.204 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.979 10.739 -11.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -5.070 9.776 -13.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.398 8.358 -13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.084 8.549 -13.166 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.057 12.373 -8.513 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.426 13.255 -7.419 1.00 0.00 C ATOM 1790 C ARG A 114 -2.521 12.611 -6.565 1.00 0.00 C ATOM 1791 O ARG A 114 -3.426 11.966 -7.092 1.00 0.00 O ATOM 1792 CB ARG A 114 -1.924 14.604 -7.941 1.00 0.00 C ATOM 1793 CG ARG A 114 -0.817 15.658 -7.878 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.226 15.917 -9.265 1.00 0.00 C ATOM 1795 NE ARG A 114 -0.931 17.045 -9.914 1.00 0.00 N ATOM 1796 CZ ARG A 114 -0.443 17.740 -10.950 1.00 0.00 C ATOM 1797 NH1 ARG A 114 0.756 17.427 -11.461 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -1.153 18.748 -11.475 1.00 0.00 N ATOM 0 H ARG A 114 -0.843 12.848 -9.390 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.536 13.420 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.270 14.495 -8.969 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -2.779 14.933 -7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.217 16.586 -7.470 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.031 15.325 -7.200 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.837 16.143 -9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.313 15.021 -9.880 1.00 0.00 H new ATOM 0 HE ARG A 114 -1.846 17.310 -9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 114 1.296 16.660 -11.061 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.128 17.956 -12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.065 18.986 -11.086 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -0.781 19.277 -12.264 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.402 12.809 -5.260 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.370 12.255 -4.328 1.00 0.00 C ATOM 1814 C GLY A 115 -4.783 12.749 -4.648 1.00 0.00 C ATOM 1815 O GLY A 115 -5.686 11.948 -4.884 1.00 0.00 O ATOM 0 H GLY A 115 -1.650 13.345 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.342 11.166 -4.373 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.104 12.538 -3.310 1.00 0.00 H new ATOM 1819 N PRO A 116 -4.933 14.101 -4.644 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.220 14.711 -4.931 1.00 0.00 C ATOM 1821 C PRO A 116 -6.538 14.645 -6.426 1.00 0.00 C ATOM 1822 O PRO A 116 -7.069 15.598 -6.995 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.105 16.135 -4.411 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.616 16.410 -4.276 1.00 0.00 C ATOM 1825 CD PRO A 116 -3.886 15.080 -4.369 1.00 0.00 C ATOM 0 HA PRO A 116 -7.048 14.190 -4.450 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.572 16.841 -5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.611 16.243 -3.451 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.280 17.086 -5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.402 16.897 -3.324 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.138 15.093 -5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.363 14.850 -3.441 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.201 13.510 -7.020 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.443 13.306 -8.438 1.00 0.00 C ATOM 1835 C ARG A 117 -6.831 11.851 -8.707 1.00 0.00 C ATOM 1836 O ARG A 117 -6.758 11.385 -9.843 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.205 13.658 -9.265 1.00 0.00 C ATOM 1838 CG ARG A 117 -4.983 15.171 -9.303 1.00 0.00 C ATOM 1839 CD ARG A 117 -5.028 15.696 -10.740 1.00 0.00 C ATOM 1840 NE ARG A 117 -4.832 17.163 -10.749 1.00 0.00 N ATOM 1841 CZ ARG A 117 -5.790 18.051 -10.451 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -7.017 17.627 -10.119 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -5.522 19.364 -10.486 1.00 0.00 N ATOM 0 H ARG A 117 -5.762 12.721 -6.545 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.261 13.964 -8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.328 13.169 -8.840 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.321 13.278 -10.280 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -5.747 15.669 -8.706 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.020 15.412 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -4.254 15.214 -11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -5.985 15.446 -11.198 1.00 0.00 H new ATOM 0 HE ARG A 117 -3.910 17.520 -10.998 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -7.222 16.628 -10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -7.746 18.303 -9.892 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.588 19.687 -10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -6.252 20.040 -10.259 1.00 0.00 H new ATOM 1857 N THR A 118 -7.235 11.173 -7.643 1.00 0.00 N ATOM 1858 CA THR A 118 -7.634 9.780 -7.749 1.00 0.00 C ATOM 1859 C THR A 118 -9.122 9.626 -7.432 1.00 0.00 C ATOM 1860 O THR A 118 -9.709 10.475 -6.763 1.00 0.00 O ATOM 1861 CB THR A 118 -6.728 8.957 -6.831 1.00 0.00 C ATOM 1862 OG1 THR A 118 -6.540 9.791 -5.691 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.320 8.781 -7.401 1.00 0.00 C ATOM 0 H THR A 118 -7.295 11.563 -6.702 1.00 0.00 H new ATOM 0 HA THR A 118 -7.511 9.410 -8.767 1.00 0.00 H new ATOM 0 HB THR A 118 -7.176 7.977 -6.663 1.00 0.00 H new ATOM 0 HG1 THR A 118 -5.847 10.457 -5.884 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.719 8.190 -6.710 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.378 8.269 -8.361 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.858 9.759 -7.538 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.691 8.537 -7.928 1.00 0.00 N ATOM 1872 CA HIS A 119 -11.100 8.261 -7.706 1.00 0.00 C ATOM 1873 C HIS A 119 -11.390 6.791 -8.016 1.00 0.00 C ATOM 1874 O HIS A 119 -10.509 6.063 -8.471 1.00 0.00 O ATOM 1875 CB HIS A 119 -11.976 9.221 -8.513 1.00 0.00 C ATOM 1876 CG HIS A 119 -12.866 10.099 -7.667 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -13.532 9.633 -6.547 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -13.192 11.418 -7.788 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -14.225 10.635 -6.026 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -14.014 11.740 -6.797 1.00 0.00 N ATOM 0 H HIS A 119 -9.201 7.835 -8.483 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.346 8.431 -6.658 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.334 9.855 -9.125 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.598 8.642 -9.196 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -12.841 12.087 -8.560 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.848 10.585 -5.145 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.421 12.662 -6.638 1.00 0.00 H new ATOM 1888 N TYR A 120 -12.629 6.398 -7.758 1.00 0.00 N ATOM 1889 CA TYR A 120 -13.046 5.028 -8.004 1.00 0.00 C ATOM 1890 C TYR A 120 -13.353 4.806 -9.487 1.00 0.00 C ATOM 1891 O TYR A 120 -13.993 5.641 -10.124 1.00 0.00 O ATOM 1892 CB TYR A 120 -14.329 4.826 -7.195 1.00 0.00 C ATOM 1893 CG TYR A 120 -14.778 3.367 -7.094 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -13.874 2.391 -6.727 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -16.087 3.027 -7.370 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -14.297 1.018 -6.632 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -16.509 1.654 -7.275 1.00 0.00 C ATOM 1898 CZ TYR A 120 -15.593 0.717 -6.911 1.00 0.00 C ATOM 1899 OH TYR A 120 -15.992 -0.580 -6.821 1.00 0.00 O ATOM 0 H TYR A 120 -13.357 7.004 -7.381 1.00 0.00 H new ATOM 0 HA TYR A 120 -12.258 4.330 -7.720 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -14.178 5.219 -6.190 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -15.129 5.411 -7.649 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -12.850 2.657 -6.511 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -16.794 3.791 -7.657 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.600 0.244 -6.345 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -17.530 1.374 -7.488 1.00 0.00 H new ATOM 0 HH TYR A 120 -16.943 -0.646 -7.047 1.00 0.00 H new ATOM 1909 N GLY A 121 -12.881 3.677 -9.993 1.00 0.00 N ATOM 1910 CA GLY A 121 -13.097 3.334 -11.388 1.00 0.00 C ATOM 1911 C GLY A 121 -11.800 3.460 -12.191 1.00 0.00 C ATOM 1912 O GLY A 121 -11.744 3.064 -13.354 1.00 0.00 O ATOM 0 H GLY A 121 -12.349 2.987 -9.462 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -13.477 2.315 -11.461 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.858 3.989 -11.814 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.788 4.013 -11.537 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.496 4.195 -12.175 1.00 0.00 C ATOM 1918 C GLN A 122 -8.609 2.971 -11.939 1.00 0.00 C ATOM 1919 O GLN A 122 -8.745 2.288 -10.925 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.813 5.470 -11.675 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.723 6.687 -11.858 1.00 0.00 C ATOM 1922 CD GLN A 122 -8.987 7.980 -11.502 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -7.965 8.321 -12.075 1.00 0.00 O ATOM 1924 NE2 GLN A 122 -9.562 8.679 -10.528 1.00 0.00 N ATOM 0 H GLN A 122 -10.837 4.341 -10.572 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.655 4.303 -13.248 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.555 5.360 -10.622 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -7.880 5.624 -12.217 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.070 6.734 -12.890 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.607 6.582 -11.229 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -10.417 8.336 -10.091 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -9.148 9.558 -10.218 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.721 2.730 -12.892 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.813 1.600 -12.800 1.00 0.00 C ATOM 1935 C LYS A 123 -5.509 2.051 -12.139 1.00 0.00 C ATOM 1936 O LYS A 123 -4.521 1.318 -12.142 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.615 0.959 -14.175 1.00 0.00 C ATOM 1938 CG LYS A 123 -5.984 -0.429 -14.048 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.983 -1.435 -13.471 1.00 0.00 C ATOM 1940 CE LYS A 123 -7.352 -2.497 -14.509 1.00 0.00 C ATOM 1941 NZ LYS A 123 -8.413 -1.994 -15.410 1.00 0.00 N ATOM 0 H LYS A 123 -7.611 3.298 -13.732 1.00 0.00 H new ATOM 0 HA LYS A 123 -7.238 0.820 -12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.575 0.880 -14.685 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.979 1.597 -14.789 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -5.644 -0.769 -15.026 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -5.105 -0.375 -13.406 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -6.555 -1.915 -12.591 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -7.882 -0.913 -13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -6.471 -2.767 -15.091 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -7.692 -3.402 -14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.652 -2.727 -16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -9.259 -1.758 -14.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.075 -1.143 -15.903 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.549 3.255 -11.587 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.382 3.812 -10.923 1.00 0.00 C ATOM 1957 C ALA A 124 -4.421 3.442 -9.439 1.00 0.00 C ATOM 1958 O ALA A 124 -3.397 3.082 -8.858 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.343 5.325 -11.146 1.00 0.00 C ATOM 0 H ALA A 124 -6.370 3.860 -11.586 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.466 3.397 -11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.468 5.744 -10.648 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.288 5.534 -12.214 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.245 5.777 -10.734 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.611 3.544 -8.867 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.796 3.224 -7.461 1.00 0.00 C ATOM 1967 C ILE A 125 -5.575 1.725 -7.250 1.00 0.00 C ATOM 1968 O ILE A 125 -4.959 1.317 -6.267 1.00 0.00 O ATOM 1969 CB ILE A 125 -7.159 3.719 -6.974 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -8.260 2.709 -7.305 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -7.470 5.109 -7.533 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.639 3.259 -6.932 1.00 0.00 C ATOM 0 H ILE A 125 -6.457 3.844 -9.351 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.057 3.744 -6.852 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.121 3.810 -5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -8.234 2.473 -8.369 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -8.078 1.778 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.445 5.437 -7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.705 5.813 -7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.482 5.069 -8.622 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -10.403 2.522 -7.177 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -9.669 3.471 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.828 4.177 -7.489 1.00 0.00 H new ATOM 1984 N LEU A 126 -6.090 0.945 -8.190 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.956 -0.500 -8.119 1.00 0.00 C ATOM 1986 C LEU A 126 -4.473 -0.872 -8.144 1.00 0.00 C ATOM 1987 O LEU A 126 -3.810 -0.728 -9.170 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.777 -1.169 -9.223 1.00 0.00 C ATOM 1989 CG LEU A 126 -8.278 -0.870 -9.219 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.928 -1.309 -10.532 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.958 -1.501 -8.002 1.00 0.00 C ATOM 0 H LEU A 126 -6.600 1.287 -9.004 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.363 -0.875 -7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.369 -0.865 -10.187 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.642 -2.248 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.412 0.209 -9.140 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.994 -1.085 -10.503 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.468 -0.774 -11.363 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.786 -2.381 -10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -10.024 -1.274 -8.022 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.817 -2.582 -8.026 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.519 -1.098 -7.090 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.995 -1.345 -7.002 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.602 -1.740 -6.880 1.00 0.00 C ATOM 2005 C PHE A 127 -2.481 -3.216 -6.498 1.00 0.00 C ATOM 2006 O PHE A 127 -3.301 -3.734 -5.741 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.991 -0.886 -5.767 1.00 0.00 C ATOM 2008 CG PHE A 127 -1.191 0.317 -6.273 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -1.450 0.836 -7.503 1.00 0.00 C ATOM 2010 CD2 PHE A 127 -0.222 0.866 -5.493 1.00 0.00 C ATOM 2011 CE1 PHE A 127 -0.708 1.952 -7.972 1.00 0.00 C ATOM 2012 CE2 PHE A 127 0.520 1.981 -5.962 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.262 2.501 -7.192 1.00 0.00 C ATOM 0 H PHE A 127 -4.548 -1.464 -6.153 1.00 0.00 H new ATOM 0 HA PHE A 127 -2.090 -1.596 -7.832 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.790 -0.530 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -1.339 -1.513 -5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -2.219 0.400 -8.123 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.017 0.453 -4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.914 2.365 -8.948 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.290 2.417 -5.342 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.827 3.349 -7.549 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.453 -3.852 -7.039 1.00 0.00 N ATOM 2024 CA LEU A 128 -1.215 -5.259 -6.764 1.00 0.00 C ATOM 2025 C LEU A 128 0.212 -5.438 -6.241 1.00 0.00 C ATOM 2026 O LEU A 128 1.176 -5.248 -6.980 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.527 -6.107 -7.999 1.00 0.00 C ATOM 2028 CG LEU A 128 -2.062 -7.515 -7.728 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -3.402 -7.460 -6.991 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -2.152 -8.325 -9.022 1.00 0.00 C ATOM 0 H LEU A 128 -0.775 -3.419 -7.666 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.888 -5.613 -5.984 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -2.257 -5.573 -8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.618 -6.193 -8.595 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.357 -8.029 -7.075 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.760 -8.474 -6.811 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.273 -6.946 -6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -4.129 -6.921 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.535 -9.321 -8.802 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.824 -7.824 -9.719 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.161 -8.408 -9.469 1.00 0.00 H new ATOM 2042 N PRO A 129 0.303 -5.811 -4.936 1.00 0.00 N ATOM 2043 CA PRO A 129 1.596 -6.017 -4.305 1.00 0.00 C ATOM 2044 C PRO A 129 2.225 -7.335 -4.762 1.00 0.00 C ATOM 2045 O PRO A 129 1.783 -8.410 -4.359 1.00 0.00 O ATOM 2046 CB PRO A 129 1.316 -5.979 -2.812 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.178 -6.218 -2.662 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.817 -6.045 -4.030 1.00 0.00 C ATOM 0 HA PRO A 129 2.324 -5.254 -4.579 1.00 0.00 H new ATOM 0 HB2 PRO A 129 1.889 -6.744 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.603 -5.018 -2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.368 -7.220 -2.276 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.607 -5.515 -1.948 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.381 -6.932 -4.319 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.514 -5.207 -4.038 1.00 0.00 H new ATOM 2056 N LEU A 130 3.246 -7.209 -5.597 1.00 0.00 N ATOM 2057 CA LEU A 130 3.940 -8.376 -6.113 1.00 0.00 C ATOM 2058 C LEU A 130 5.078 -8.750 -5.161 1.00 0.00 C ATOM 2059 O LEU A 130 5.701 -7.876 -4.560 1.00 0.00 O ATOM 2060 CB LEU A 130 4.396 -8.136 -7.553 1.00 0.00 C ATOM 2061 CG LEU A 130 3.299 -8.169 -8.619 1.00 0.00 C ATOM 2062 CD1 LEU A 130 2.312 -9.308 -8.354 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.596 -6.814 -8.724 1.00 0.00 C ATOM 0 H LEU A 130 3.609 -6.316 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 130 3.266 -9.232 -6.156 1.00 0.00 H new ATOM 0 HB2 LEU A 130 4.891 -7.166 -7.599 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.144 -8.888 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 130 3.766 -8.365 -9.584 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.542 -9.309 -9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.843 -10.260 -8.369 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.847 -9.167 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.821 -6.865 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.143 -6.564 -7.765 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.322 -6.047 -8.994 1.00 0.00 H new ATOM 2075 N PRO A 131 5.322 -10.083 -5.051 1.00 0.00 N ATOM 2076 CA PRO A 131 6.374 -10.582 -4.183 1.00 0.00 C ATOM 2077 C PRO A 131 7.754 -10.347 -4.802 1.00 0.00 C ATOM 2078 O PRO A 131 7.957 -10.599 -5.988 1.00 0.00 O ATOM 2079 CB PRO A 131 6.056 -12.056 -3.986 1.00 0.00 C ATOM 2080 CG PRO A 131 5.111 -12.433 -5.116 1.00 0.00 C ATOM 2081 CD PRO A 131 4.604 -11.147 -5.748 1.00 0.00 C ATOM 0 HA PRO A 131 6.409 -10.064 -3.225 1.00 0.00 H new ATOM 0 HB2 PRO A 131 6.963 -12.659 -4.018 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.592 -12.229 -3.015 1.00 0.00 H new ATOM 0 HG2 PRO A 131 5.626 -13.045 -5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.279 -13.026 -4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 131 4.806 -11.126 -6.819 1.00 0.00 H new ATOM 0 HD3 PRO A 131 3.526 -11.044 -5.625 1.00 0.00 H new ATOM 2089 N VAL A 132 8.666 -9.865 -3.970 1.00 0.00 N ATOM 2090 CA VAL A 132 10.020 -9.592 -4.420 1.00 0.00 C ATOM 2091 C VAL A 132 11.014 -10.124 -3.386 1.00 0.00 C ATOM 2092 O VAL A 132 10.674 -10.274 -2.213 1.00 0.00 O ATOM 2093 CB VAL A 132 10.188 -8.097 -4.697 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.538 -7.338 -3.416 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.239 -7.855 -5.782 1.00 0.00 C ATOM 0 H VAL A 132 8.493 -9.657 -2.987 1.00 0.00 H new ATOM 0 HA VAL A 132 10.221 -10.107 -5.359 1.00 0.00 H new ATOM 0 HB VAL A 132 9.235 -7.715 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.652 -6.278 -3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.740 -7.470 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.472 -7.725 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.339 -6.784 -5.960 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.197 -8.260 -5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 132 10.931 -8.348 -6.704 1.00 0.00 H new