USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 760 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 46 SER OG : rot -90:sc= 1.35 USER MOD Set 1.2: A 64 HIS : no HD1:sc= 0.0194 K(o=1.4,f=0.34) USER MOD Set 2.1: A 10 HIS : no HE2:sc= -3.55! X(o=-3.7!,f=-3.7) USER MOD Set 2.2: A 13 MET CE :methyl 177:sc= -0.188 (180deg=-0.219) USER MOD Single : A 9 TYR OH : rot 15:sc= 0.86 USER MOD Single : A 12 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.029) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0284 K(o=-0.028,f=-1.4) USER MOD Single : A 20 THR OG1 : rot 102:sc= 1.25 USER MOD Single : A 23 GLN : amide:sc= -2.18! C(o=-2.2!,f=-4!) USER MOD Single : A 25 LYS NZ :NH3+ 178:sc= -0.886 (180deg=-0.891) USER MOD Single : A 30 THR OG1 : rot 125:sc= 1.2 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -72:sc= 1.01 USER MOD Single : A 51 GLN : amide:sc= -0.0956 K(o=-0.096,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -14:sc= 0.565 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= -0.591 (180deg=-0.591) USER MOD Single : A 69 CYS SG : rot 115:sc= 0.673 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -124:sc= 0.916 USER MOD Single : A 81 THR OG1 : rot 47:sc= 0.297 USER MOD Single : A 84 SER OG : rot 4:sc= 1.16 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.544 K(o=0.54,f=-2.2) USER MOD Single : A 93 LYS NZ :NH3+ -174:sc= 0.0537 (180deg=0.0481) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -88:sc= 0.848 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -3.31! C(o=-3.3!,f=-4.1!) USER MOD Single : A 111 TYR OH : rot 39:sc= -0.676 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.236 USER MOD Single : B 12 ASN : amide:sc= -0.719 K(o=-0.72,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 3.417 -5.864 -10.054 1.00 0.00 N ATOM 67 CA TRP A 8 3.607 -4.862 -9.011 1.00 0.00 C ATOM 68 C TRP A 8 4.071 -5.511 -7.712 1.00 0.00 C ATOM 69 O TRP A 8 4.553 -4.831 -6.805 1.00 0.00 O ATOM 70 CB TRP A 8 2.308 -4.090 -8.775 1.00 0.00 C ATOM 71 CG TRP A 8 1.077 -4.912 -9.009 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.173 -4.765 -10.021 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.615 -6.009 -8.213 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.824 -5.703 -9.903 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.575 -6.479 -8.802 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.092 -6.641 -7.061 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.294 -7.549 -8.275 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.378 -7.703 -6.540 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.804 -8.149 -7.148 1.00 0.00 C ATOM 0 HA TRP A 8 4.378 -4.168 -9.344 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.297 -3.716 -7.751 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.286 -3.221 -9.432 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.233 -4.020 -10.801 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.620 -5.805 -10.533 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.002 -6.305 -6.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.206 -7.893 -8.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.736 -8.198 -5.649 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.338 -8.983 -6.718 1.00 0.00 H new ATOM 90 N TYR A 9 3.923 -6.828 -7.627 1.00 0.00 N ATOM 91 CA TYR A 9 4.325 -7.567 -6.436 1.00 0.00 C ATOM 92 C TYR A 9 5.805 -7.353 -6.136 1.00 0.00 C ATOM 93 O TYR A 9 6.654 -7.482 -7.019 1.00 0.00 O ATOM 94 CB TYR A 9 4.039 -9.059 -6.617 1.00 0.00 C ATOM 95 CG TYR A 9 4.232 -9.869 -5.354 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.527 -9.566 -4.196 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.120 -10.938 -5.319 1.00 0.00 C ATOM 98 CE1 TYR A 9 3.700 -10.302 -3.040 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.298 -11.680 -4.169 1.00 0.00 C ATOM 100 CZ TYR A 9 4.586 -11.359 -3.032 1.00 0.00 C ATOM 101 OH TYR A 9 4.762 -12.096 -1.883 1.00 0.00 O ATOM 0 H TYR A 9 3.528 -7.406 -8.369 1.00 0.00 H new ATOM 0 HA TYR A 9 3.745 -7.192 -5.593 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.014 -9.184 -6.966 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.692 -9.454 -7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.831 -8.740 -4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.680 -11.192 -6.207 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.145 -10.051 -2.148 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.991 -12.508 -4.159 1.00 0.00 H new ATOM 0 HH TYR A 9 4.034 -11.904 -1.256 1.00 0.00 H new ATOM 111 N HIS A 10 6.108 -7.028 -4.884 1.00 0.00 N ATOM 112 CA HIS A 10 7.485 -6.797 -4.464 1.00 0.00 C ATOM 113 C HIS A 10 7.955 -7.894 -3.515 1.00 0.00 C ATOM 114 O HIS A 10 8.795 -8.719 -3.870 1.00 0.00 O ATOM 115 CB HIS A 10 7.613 -5.432 -3.789 1.00 0.00 C ATOM 116 CG HIS A 10 7.263 -4.284 -4.685 1.00 0.00 C ATOM 117 ND1 HIS A 10 8.209 -3.532 -5.349 1.00 0.00 N ATOM 118 CD2 HIS A 10 6.062 -3.763 -5.027 1.00 0.00 C ATOM 119 CE1 HIS A 10 7.604 -2.596 -6.059 1.00 0.00 C ATOM 120 NE2 HIS A 10 6.301 -2.715 -5.882 1.00 0.00 N ATOM 0 H HIS A 10 5.417 -6.918 -4.141 1.00 0.00 H new ATOM 0 HA HIS A 10 8.117 -6.815 -5.352 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.966 -5.408 -2.912 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.636 -5.306 -3.434 1.00 0.00 H new ATOM 0 HD1 HIS A 10 9.218 -3.676 -5.300 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.095 -4.107 -4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.092 -1.859 -6.679 1.00 0.00 H new ATOM 129 N GLY A 11 7.408 -7.897 -2.303 1.00 0.00 N ATOM 130 CA GLY A 11 7.783 -8.896 -1.321 1.00 0.00 C ATOM 131 C GLY A 11 8.573 -8.307 -0.168 1.00 0.00 C ATOM 132 O GLY A 11 8.302 -7.190 0.274 1.00 0.00 O ATOM 0 H GLY A 11 6.711 -7.224 -1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.884 -9.376 -0.934 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.376 -9.672 -1.805 1.00 0.00 H new ATOM 136 N HIS A 12 9.551 -9.061 0.323 1.00 0.00 N ATOM 137 CA HIS A 12 10.383 -8.608 1.432 1.00 0.00 C ATOM 138 C HIS A 12 10.651 -7.109 1.334 1.00 0.00 C ATOM 139 O HIS A 12 11.544 -6.675 0.607 1.00 0.00 O ATOM 140 CB HIS A 12 11.706 -9.374 1.453 1.00 0.00 C ATOM 141 CG HIS A 12 12.450 -9.247 2.746 1.00 0.00 C ATOM 142 ND1 HIS A 12 12.968 -10.330 3.426 1.00 0.00 N ATOM 143 CD2 HIS A 12 12.767 -8.157 3.483 1.00 0.00 C ATOM 144 CE1 HIS A 12 13.568 -9.911 4.525 1.00 0.00 C ATOM 145 NE2 HIS A 12 13.461 -8.596 4.583 1.00 0.00 N ATOM 0 H HIS A 12 9.787 -9.989 -0.030 1.00 0.00 H new ATOM 0 HA HIS A 12 9.845 -8.803 2.360 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.509 -10.428 1.258 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.339 -9.013 0.642 1.00 0.00 H new ATOM 0 HD2 HIS A 12 12.520 -7.132 3.249 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.062 -10.537 5.253 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.833 -8.003 5.325 1.00 0.00 H new ATOM 154 N MET A 13 9.871 -6.323 2.069 1.00 0.00 N ATOM 155 CA MET A 13 10.026 -4.873 2.064 1.00 0.00 C ATOM 156 C MET A 13 9.406 -4.257 3.313 1.00 0.00 C ATOM 157 O MET A 13 8.266 -4.559 3.667 1.00 0.00 O ATOM 158 CB MET A 13 9.381 -4.275 0.812 1.00 0.00 C ATOM 159 CG MET A 13 9.530 -2.765 0.715 1.00 0.00 C ATOM 160 SD MET A 13 8.279 -2.011 -0.343 1.00 0.00 S ATOM 161 CE MET A 13 8.817 -2.572 -1.956 1.00 0.00 C ATOM 0 H MET A 13 9.126 -6.666 2.675 1.00 0.00 H new ATOM 0 HA MET A 13 11.092 -4.646 2.059 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.827 -4.734 -0.071 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.321 -4.529 0.802 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.465 -2.332 1.713 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.520 -2.525 0.328 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.112 -2.231 -2.714 1.00 0.00 H new ATOM 0 HE2 MET A 13 9.805 -2.166 -2.171 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.862 -3.661 -1.966 1.00 0.00 H new ATOM 171 N SER A 14 10.163 -3.391 3.980 1.00 0.00 N ATOM 172 CA SER A 14 9.690 -2.734 5.192 1.00 0.00 C ATOM 173 C SER A 14 9.065 -1.380 4.868 1.00 0.00 C ATOM 174 O SER A 14 9.387 -0.762 3.855 1.00 0.00 O ATOM 175 CB SER A 14 10.841 -2.554 6.182 1.00 0.00 C ATOM 176 OG SER A 14 11.826 -1.675 5.667 1.00 0.00 O ATOM 0 H SER A 14 11.108 -3.128 3.700 1.00 0.00 H new ATOM 0 HA SER A 14 8.927 -3.367 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.457 -2.162 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.292 -3.522 6.400 1.00 0.00 H new ATOM 0 HG SER A 14 12.550 -1.576 6.320 1.00 0.00 H new ATOM 182 N GLY A 15 8.170 -0.926 5.739 1.00 0.00 N ATOM 183 CA GLY A 15 7.513 0.352 5.530 1.00 0.00 C ATOM 184 C GLY A 15 8.479 1.435 5.091 1.00 0.00 C ATOM 185 O GLY A 15 8.207 2.174 4.146 1.00 0.00 O ATOM 0 H GLY A 15 7.888 -1.420 6.586 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.733 0.238 4.777 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.022 0.660 6.453 1.00 0.00 H new ATOM 189 N GLY A 16 9.612 1.530 5.781 1.00 0.00 N ATOM 190 CA GLY A 16 10.603 2.536 5.444 1.00 0.00 C ATOM 191 C GLY A 16 11.031 2.463 3.992 1.00 0.00 C ATOM 192 O GLY A 16 11.280 3.490 3.360 1.00 0.00 O ATOM 0 H GLY A 16 9.861 0.929 6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.196 3.526 5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.476 2.410 6.084 1.00 0.00 H new ATOM 196 N GLN A 17 11.119 1.247 3.462 1.00 0.00 N ATOM 197 CA GLN A 17 11.521 1.046 2.076 1.00 0.00 C ATOM 198 C GLN A 17 10.431 1.513 1.117 1.00 0.00 C ATOM 199 O GLN A 17 10.714 2.140 0.097 1.00 0.00 O ATOM 200 CB GLN A 17 11.840 -0.429 1.824 1.00 0.00 C ATOM 201 CG GLN A 17 12.384 -0.706 0.432 1.00 0.00 C ATOM 202 CD GLN A 17 13.314 -1.902 0.395 1.00 0.00 C ATOM 203 OE1 GLN A 17 12.946 -3.002 0.810 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.528 -1.695 -0.102 1.00 0.00 N ATOM 0 H GLN A 17 10.917 0.387 3.972 1.00 0.00 H new ATOM 0 HA GLN A 17 12.416 1.641 1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.567 -0.766 2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.936 -1.018 1.975 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.552 -0.876 -0.251 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.917 0.175 0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.791 -0.768 -0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.197 -2.463 -0.151 1.00 0.00 H new ATOM 213 N ALA A 18 9.182 1.204 1.454 1.00 0.00 N ATOM 214 CA ALA A 18 8.049 1.594 0.625 1.00 0.00 C ATOM 215 C ALA A 18 7.926 3.112 0.540 1.00 0.00 C ATOM 216 O ALA A 18 7.813 3.675 -0.548 1.00 0.00 O ATOM 217 CB ALA A 18 6.763 0.988 1.169 1.00 0.00 C ATOM 0 H ALA A 18 8.930 0.685 2.295 1.00 0.00 H new ATOM 0 HA ALA A 18 8.220 1.213 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.925 1.288 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.845 -0.099 1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.597 1.341 2.187 1.00 0.00 H new ATOM 223 N GLU A 19 7.950 3.768 1.697 1.00 0.00 N ATOM 224 CA GLU A 19 7.841 5.221 1.752 1.00 0.00 C ATOM 225 C GLU A 19 8.985 5.882 0.990 1.00 0.00 C ATOM 226 O GLU A 19 8.789 6.878 0.293 1.00 0.00 O ATOM 227 CB GLU A 19 7.837 5.700 3.206 1.00 0.00 C ATOM 228 CG GLU A 19 6.462 5.674 3.852 1.00 0.00 C ATOM 229 CD GLU A 19 6.314 6.710 4.949 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.340 7.918 4.632 1.00 0.00 O ATOM 231 OE2 GLU A 19 6.170 6.312 6.124 1.00 0.00 O ATOM 0 H GLU A 19 8.044 3.317 2.607 1.00 0.00 H new ATOM 0 HA GLU A 19 6.901 5.507 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.514 5.074 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.229 6.716 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.703 5.847 3.089 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.278 4.683 4.266 1.00 0.00 H new ATOM 238 N THR A 20 10.183 5.322 1.129 1.00 0.00 N ATOM 239 CA THR A 20 11.359 5.857 0.457 1.00 0.00 C ATOM 240 C THR A 20 11.297 5.605 -1.046 1.00 0.00 C ATOM 241 O THR A 20 11.784 6.408 -1.842 1.00 0.00 O ATOM 242 CB THR A 20 12.656 5.241 1.016 1.00 0.00 C ATOM 243 OG1 THR A 20 12.724 5.446 2.431 1.00 0.00 O ATOM 244 CG2 THR A 20 13.878 5.854 0.349 1.00 0.00 C ATOM 0 H THR A 20 10.363 4.497 1.702 1.00 0.00 H new ATOM 0 HA THR A 20 11.366 6.931 0.643 1.00 0.00 H new ATOM 0 HB THR A 20 12.646 4.172 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.477 4.618 2.894 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.781 5.403 0.760 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.837 5.670 -0.725 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.892 6.928 0.533 1.00 0.00 H new ATOM 252 N LEU A 21 10.695 4.484 -1.427 1.00 0.00 N ATOM 253 CA LEU A 21 10.567 4.126 -2.836 1.00 0.00 C ATOM 254 C LEU A 21 9.433 4.902 -3.495 1.00 0.00 C ATOM 255 O LEU A 21 9.663 5.724 -4.383 1.00 0.00 O ATOM 256 CB LEU A 21 10.321 2.622 -2.979 1.00 0.00 C ATOM 257 CG LEU A 21 11.541 1.722 -2.782 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.109 0.284 -2.537 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.464 1.804 -3.989 1.00 0.00 C ATOM 0 H LEU A 21 10.288 3.808 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 21 11.499 4.386 -3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.558 2.329 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.912 2.434 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 21 12.088 2.070 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.990 -0.342 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.488 0.238 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.539 -0.076 -3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.327 1.157 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.926 1.481 -4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 21 12.800 2.832 -4.121 1.00 0.00 H new ATOM 271 N LEU A 22 8.208 4.639 -3.054 1.00 0.00 N ATOM 272 CA LEU A 22 7.035 5.316 -3.600 1.00 0.00 C ATOM 273 C LEU A 22 7.329 6.790 -3.856 1.00 0.00 C ATOM 274 O LEU A 22 7.111 7.293 -4.958 1.00 0.00 O ATOM 275 CB LEU A 22 5.850 5.179 -2.642 1.00 0.00 C ATOM 276 CG LEU A 22 5.224 3.787 -2.544 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.259 3.718 -1.371 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.514 3.430 -3.843 1.00 0.00 C ATOM 0 H LEU A 22 8.000 3.962 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 22 6.782 4.844 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.177 5.480 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.076 5.883 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 22 6.020 3.062 -2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.823 2.720 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.795 3.931 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.466 4.453 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.074 2.436 -3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.728 4.159 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.231 3.439 -4.664 1.00 0.00 H new ATOM 290 N GLN A 23 7.825 7.477 -2.832 1.00 0.00 N ATOM 291 CA GLN A 23 8.150 8.893 -2.948 1.00 0.00 C ATOM 292 C GLN A 23 9.250 9.117 -3.982 1.00 0.00 C ATOM 293 O GLN A 23 9.174 10.040 -4.793 1.00 0.00 O ATOM 294 CB GLN A 23 8.587 9.452 -1.593 1.00 0.00 C ATOM 295 CG GLN A 23 7.426 9.831 -0.689 1.00 0.00 C ATOM 296 CD GLN A 23 7.856 10.069 0.746 1.00 0.00 C ATOM 297 OE1 GLN A 23 9.013 9.846 1.104 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.925 10.524 1.576 1.00 0.00 N ATOM 0 H GLN A 23 8.010 7.076 -1.913 1.00 0.00 H new ATOM 0 HA GLN A 23 7.254 9.419 -3.277 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.205 8.711 -1.086 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.212 10.330 -1.756 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.949 10.732 -1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.678 9.039 -0.713 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.979 10.695 1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.156 10.703 2.553 1.00 0.00 H new ATOM 307 N ALA A 24 10.271 8.268 -3.946 1.00 0.00 N ATOM 308 CA ALA A 24 11.385 8.372 -4.880 1.00 0.00 C ATOM 309 C ALA A 24 10.887 8.562 -6.309 1.00 0.00 C ATOM 310 O ALA A 24 11.425 9.375 -7.062 1.00 0.00 O ATOM 311 CB ALA A 24 12.268 7.136 -4.787 1.00 0.00 C ATOM 0 H ALA A 24 10.350 7.500 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 24 11.974 9.248 -4.609 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.096 7.227 -5.490 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.660 7.044 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.681 6.250 -5.030 1.00 0.00 H new ATOM 317 N LYS A 25 9.856 7.809 -6.677 1.00 0.00 N ATOM 318 CA LYS A 25 9.285 7.895 -8.015 1.00 0.00 C ATOM 319 C LYS A 25 8.575 9.229 -8.219 1.00 0.00 C ATOM 320 O LYS A 25 8.745 9.883 -9.247 1.00 0.00 O ATOM 321 CB LYS A 25 8.305 6.743 -8.249 1.00 0.00 C ATOM 322 CG LYS A 25 7.969 6.516 -9.712 1.00 0.00 C ATOM 323 CD LYS A 25 7.517 5.088 -9.967 1.00 0.00 C ATOM 324 CE LYS A 25 7.419 4.790 -11.454 1.00 0.00 C ATOM 325 NZ LYS A 25 6.588 5.798 -12.169 1.00 0.00 N ATOM 0 H LYS A 25 9.399 7.132 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 25 10.100 7.823 -8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.729 5.827 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.385 6.944 -7.701 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.183 7.207 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.843 6.737 -10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.218 4.395 -9.502 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.547 4.923 -9.497 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.419 4.771 -11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.990 3.798 -11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.574 5.578 -13.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.617 5.775 -11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.992 6.746 -12.025 1.00 0.00 H new ATOM 339 N GLY A 26 7.778 9.628 -7.232 1.00 0.00 N ATOM 340 CA GLY A 26 7.057 10.884 -7.323 1.00 0.00 C ATOM 341 C GLY A 26 5.804 10.773 -8.170 1.00 0.00 C ATOM 342 O GLY A 26 5.513 11.655 -8.976 1.00 0.00 O ATOM 0 H GLY A 26 7.619 9.104 -6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.786 11.217 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.712 11.646 -7.746 1.00 0.00 H new ATOM 346 N GLU A 27 5.062 9.684 -7.988 1.00 0.00 N ATOM 347 CA GLU A 27 3.836 9.460 -8.744 1.00 0.00 C ATOM 348 C GLU A 27 2.646 9.273 -7.808 1.00 0.00 C ATOM 349 O GLU A 27 2.616 8.369 -6.973 1.00 0.00 O ATOM 350 CB GLU A 27 3.985 8.235 -9.648 1.00 0.00 C ATOM 351 CG GLU A 27 4.814 8.495 -10.894 1.00 0.00 C ATOM 352 CD GLU A 27 4.163 9.493 -11.831 1.00 0.00 C ATOM 353 OE1 GLU A 27 4.258 10.708 -11.562 1.00 0.00 O ATOM 354 OE2 GLU A 27 3.557 9.058 -12.833 1.00 0.00 O ATOM 0 H GLU A 27 5.289 8.944 -7.324 1.00 0.00 H new ATOM 0 HA GLU A 27 3.655 10.339 -9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.444 7.427 -9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.994 7.891 -9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.797 8.865 -10.601 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.972 7.555 -11.423 1.00 0.00 H new ATOM 361 N PRO A 28 1.641 10.151 -7.948 1.00 0.00 N ATOM 362 CA PRO A 28 0.429 10.105 -7.124 1.00 0.00 C ATOM 363 C PRO A 28 -0.446 8.899 -7.449 1.00 0.00 C ATOM 364 O PRO A 28 -0.518 8.464 -8.598 1.00 0.00 O ATOM 365 CB PRO A 28 -0.295 11.404 -7.485 1.00 0.00 C ATOM 366 CG PRO A 28 0.188 11.739 -8.854 1.00 0.00 C ATOM 367 CD PRO A 28 1.609 11.254 -8.922 1.00 0.00 C ATOM 0 HA PRO A 28 0.660 10.011 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.377 11.272 -7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.060 12.198 -6.777 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.426 11.255 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.133 12.812 -9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.869 10.913 -9.924 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.315 12.042 -8.660 1.00 0.00 H new ATOM 375 N TRP A 29 -1.110 8.365 -6.430 1.00 0.00 N ATOM 376 CA TRP A 29 -1.982 7.209 -6.608 1.00 0.00 C ATOM 377 C TRP A 29 -1.175 5.971 -6.982 1.00 0.00 C ATOM 378 O TRP A 29 -1.592 5.177 -7.826 1.00 0.00 O ATOM 379 CB TRP A 29 -3.030 7.495 -7.685 1.00 0.00 C ATOM 380 CG TRP A 29 -3.785 8.769 -7.455 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.985 9.778 -8.355 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.441 9.171 -6.247 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.724 10.782 -7.778 1.00 0.00 N ATOM 384 CE2 TRP A 29 -5.017 10.433 -6.487 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.598 8.586 -4.988 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.737 11.120 -5.512 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.313 9.268 -4.022 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.875 10.523 -4.288 1.00 0.00 C ATOM 0 H TRP A 29 -1.061 8.714 -5.473 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.488 7.018 -5.662 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.538 7.543 -8.657 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.735 6.665 -7.725 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.616 9.785 -9.370 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.008 11.647 -8.237 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.168 7.619 -4.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.170 12.088 -5.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.441 8.826 -3.045 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.429 11.030 -3.512 1.00 0.00 H new ATOM 399 N THR A 30 -0.017 5.811 -6.348 1.00 0.00 N ATOM 400 CA THR A 30 0.848 4.669 -6.616 1.00 0.00 C ATOM 401 C THR A 30 0.780 3.650 -5.484 1.00 0.00 C ATOM 402 O THR A 30 1.189 3.931 -4.357 1.00 0.00 O ATOM 403 CB THR A 30 2.312 5.108 -6.809 1.00 0.00 C ATOM 404 OG1 THR A 30 2.405 6.045 -7.887 1.00 0.00 O ATOM 405 CG2 THR A 30 3.202 3.908 -7.096 1.00 0.00 C ATOM 0 H THR A 30 0.343 6.458 -5.646 1.00 0.00 H new ATOM 0 HA THR A 30 0.489 4.209 -7.537 1.00 0.00 H new ATOM 0 HB THR A 30 2.651 5.581 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.840 6.864 -7.572 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.231 4.242 -7.229 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.152 3.210 -6.261 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.862 3.412 -8.005 1.00 0.00 H new ATOM 413 N PHE A 31 0.261 2.466 -5.791 1.00 0.00 N ATOM 414 CA PHE A 31 0.139 1.405 -4.798 1.00 0.00 C ATOM 415 C PHE A 31 1.186 0.320 -5.030 1.00 0.00 C ATOM 416 O PHE A 31 1.615 0.085 -6.161 1.00 0.00 O ATOM 417 CB PHE A 31 -1.263 0.793 -4.844 1.00 0.00 C ATOM 418 CG PHE A 31 -1.425 -0.257 -5.906 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.570 0.102 -7.237 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.432 -1.602 -5.573 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.718 -0.862 -8.216 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.580 -2.570 -6.548 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.724 -2.200 -7.872 1.00 0.00 C ATOM 0 H PHE A 31 -0.082 2.217 -6.719 1.00 0.00 H new ATOM 0 HA PHE A 31 0.306 1.842 -3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.491 0.354 -3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.991 1.586 -5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.567 1.146 -7.512 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.321 -1.897 -4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.829 -0.570 -9.250 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.583 -3.615 -6.276 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.841 -2.955 -8.636 1.00 0.00 H new ATOM 433 N LEU A 32 1.596 -0.339 -3.952 1.00 0.00 N ATOM 434 CA LEU A 32 2.595 -1.399 -4.036 1.00 0.00 C ATOM 435 C LEU A 32 2.333 -2.478 -2.989 1.00 0.00 C ATOM 436 O LEU A 32 1.985 -2.177 -1.847 1.00 0.00 O ATOM 437 CB LEU A 32 3.998 -0.820 -3.849 1.00 0.00 C ATOM 438 CG LEU A 32 4.516 -0.768 -2.411 1.00 0.00 C ATOM 439 CD1 LEU A 32 4.992 -2.141 -1.964 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.638 0.254 -2.286 1.00 0.00 C ATOM 0 H LEU A 32 1.252 -0.158 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 32 2.525 -1.853 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.695 -1.410 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.009 0.192 -4.255 1.00 0.00 H new ATOM 0 HG LEU A 32 3.697 -0.462 -1.761 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.357 -2.084 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.164 -2.848 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.797 -2.477 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.995 0.278 -1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.458 -0.023 -2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.265 1.240 -2.564 1.00 0.00 H new ATOM 452 N VAL A 33 2.505 -3.734 -3.386 1.00 0.00 N ATOM 453 CA VAL A 33 2.292 -4.858 -2.482 1.00 0.00 C ATOM 454 C VAL A 33 3.607 -5.333 -1.875 1.00 0.00 C ATOM 455 O VAL A 33 4.605 -5.493 -2.578 1.00 0.00 O ATOM 456 CB VAL A 33 1.617 -6.039 -3.204 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.310 -7.160 -2.223 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.352 -5.577 -3.913 1.00 0.00 C ATOM 0 H VAL A 33 2.791 -3.999 -4.328 1.00 0.00 H new ATOM 0 HA VAL A 33 1.635 -4.504 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 33 2.306 -6.425 -3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.833 -7.986 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.237 -7.508 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.640 -6.791 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.112 -6.424 -4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.344 -5.164 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.605 -4.812 -4.647 1.00 0.00 H new ATOM 468 N ARG A 34 3.601 -5.556 -0.564 1.00 0.00 N ATOM 469 CA ARG A 34 4.794 -6.012 0.138 1.00 0.00 C ATOM 470 C ARG A 34 4.426 -6.950 1.283 1.00 0.00 C ATOM 471 O ARG A 34 3.267 -7.020 1.692 1.00 0.00 O ATOM 472 CB ARG A 34 5.583 -4.817 0.676 1.00 0.00 C ATOM 473 CG ARG A 34 4.759 -3.890 1.557 1.00 0.00 C ATOM 474 CD ARG A 34 5.348 -2.489 1.595 1.00 0.00 C ATOM 475 NE ARG A 34 4.943 -1.757 2.791 1.00 0.00 N ATOM 476 CZ ARG A 34 5.327 -2.088 4.020 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.122 -3.131 4.211 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.916 -1.373 5.060 1.00 0.00 N ATOM 0 H ARG A 34 2.783 -5.428 0.032 1.00 0.00 H new ATOM 0 HA ARG A 34 5.415 -6.559 -0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.437 -5.183 1.246 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.981 -4.248 -0.164 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.736 -3.846 1.184 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.712 -4.294 2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.436 -2.552 1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.032 -1.939 0.709 1.00 0.00 H new ATOM 0 HE ARG A 34 4.332 -0.948 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.441 -3.682 3.414 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.415 -3.383 5.155 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.305 -0.569 4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.211 -1.628 6.003 1.00 0.00 H new ATOM 492 N GLU A 35 5.419 -7.669 1.797 1.00 0.00 N ATOM 493 CA GLU A 35 5.198 -8.603 2.894 1.00 0.00 C ATOM 494 C GLU A 35 5.420 -7.921 4.242 1.00 0.00 C ATOM 495 O GLU A 35 6.377 -7.168 4.418 1.00 0.00 O ATOM 496 CB GLU A 35 6.130 -9.810 2.761 1.00 0.00 C ATOM 497 CG GLU A 35 7.602 -9.459 2.887 1.00 0.00 C ATOM 498 CD GLU A 35 8.501 -10.678 2.810 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.430 -11.403 1.796 1.00 0.00 O ATOM 500 OE2 GLU A 35 9.274 -10.908 3.763 1.00 0.00 O ATOM 0 H GLU A 35 6.384 -7.622 1.471 1.00 0.00 H new ATOM 0 HA GLU A 35 4.164 -8.944 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.873 -10.543 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.960 -10.285 1.795 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.874 -8.761 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.770 -8.948 3.835 1.00 0.00 H new ATOM 507 N SER A 36 4.527 -8.194 5.188 1.00 0.00 N ATOM 508 CA SER A 36 4.622 -7.605 6.519 1.00 0.00 C ATOM 509 C SER A 36 5.907 -8.040 7.216 1.00 0.00 C ATOM 510 O SER A 36 6.449 -9.110 6.933 1.00 0.00 O ATOM 511 CB SER A 36 3.410 -8.003 7.364 1.00 0.00 C ATOM 512 OG SER A 36 3.459 -7.396 8.643 1.00 0.00 O ATOM 0 H SER A 36 3.731 -8.818 5.058 1.00 0.00 H new ATOM 0 HA SER A 36 4.639 -6.521 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.494 -7.708 6.853 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.379 -9.087 7.473 1.00 0.00 H new ATOM 0 HG SER A 36 2.673 -7.665 9.163 1.00 0.00 H new ATOM 586 N ASP A 42 1.663 -12.455 6.479 1.00 0.00 N ATOM 587 CA ASP A 42 0.765 -11.374 6.090 1.00 0.00 C ATOM 588 C ASP A 42 1.453 -10.419 5.121 1.00 0.00 C ATOM 589 O ASP A 42 2.655 -10.524 4.876 1.00 0.00 O ATOM 590 CB ASP A 42 0.288 -10.609 7.327 1.00 0.00 C ATOM 591 CG ASP A 42 -0.947 -11.230 7.950 1.00 0.00 C ATOM 592 OD1 ASP A 42 -1.857 -11.631 7.194 1.00 0.00 O ATOM 593 OD2 ASP A 42 -1.003 -11.316 9.194 1.00 0.00 O ATOM 0 HA ASP A 42 -0.097 -11.813 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.089 -10.582 8.065 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.073 -9.577 7.052 1.00 0.00 H new ATOM 598 N PHE A 43 0.682 -9.486 4.570 1.00 0.00 N ATOM 599 CA PHE A 43 1.216 -8.512 3.624 1.00 0.00 C ATOM 600 C PHE A 43 0.661 -7.120 3.906 1.00 0.00 C ATOM 601 O PHE A 43 -0.388 -6.972 4.534 1.00 0.00 O ATOM 602 CB PHE A 43 0.881 -8.927 2.190 1.00 0.00 C ATOM 603 CG PHE A 43 1.522 -10.221 1.775 1.00 0.00 C ATOM 604 CD1 PHE A 43 2.787 -10.233 1.211 1.00 0.00 C ATOM 605 CD2 PHE A 43 0.858 -11.425 1.949 1.00 0.00 C ATOM 606 CE1 PHE A 43 3.378 -11.423 0.827 1.00 0.00 C ATOM 607 CE2 PHE A 43 1.444 -12.617 1.568 1.00 0.00 C ATOM 608 CZ PHE A 43 2.706 -12.616 1.007 1.00 0.00 C ATOM 0 H PHE A 43 -0.314 -9.384 4.762 1.00 0.00 H new ATOM 0 HA PHE A 43 2.299 -8.482 3.743 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.201 -9.018 2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.199 -8.138 1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.318 -9.303 1.070 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.129 -11.432 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.364 -11.419 0.387 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.916 -13.548 1.709 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.167 -13.547 0.710 1.00 0.00 H new ATOM 618 N VAL A 44 1.374 -6.100 3.438 1.00 0.00 N ATOM 619 CA VAL A 44 0.953 -4.718 3.639 1.00 0.00 C ATOM 620 C VAL A 44 0.769 -4.001 2.306 1.00 0.00 C ATOM 621 O VAL A 44 1.495 -4.257 1.345 1.00 0.00 O ATOM 622 CB VAL A 44 1.972 -3.939 4.491 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.578 -2.473 4.588 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.093 -4.560 5.876 1.00 0.00 C ATOM 0 H VAL A 44 2.245 -6.204 2.918 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.000 -4.751 4.166 1.00 0.00 H new ATOM 0 HB VAL A 44 2.946 -3.997 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.310 -1.939 5.194 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.547 -2.038 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.595 -2.390 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.817 -3.997 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.123 -4.534 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.426 -5.594 5.783 1.00 0.00 H new ATOM 634 N LEU A 45 -0.206 -3.101 2.255 1.00 0.00 N ATOM 635 CA LEU A 45 -0.486 -2.344 1.039 1.00 0.00 C ATOM 636 C LEU A 45 -0.128 -0.872 1.219 1.00 0.00 C ATOM 637 O LEU A 45 -0.761 -0.160 1.997 1.00 0.00 O ATOM 638 CB LEU A 45 -1.963 -2.479 0.660 1.00 0.00 C ATOM 639 CG LEU A 45 -2.297 -2.271 -0.817 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.294 -0.789 -1.161 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.314 -3.027 -1.700 1.00 0.00 C ATOM 0 H LEU A 45 -0.816 -2.877 3.041 1.00 0.00 H new ATOM 0 HA LEU A 45 0.128 -2.752 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.304 -3.472 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.535 -1.760 1.246 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.296 -2.665 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.534 -0.660 -2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.038 -0.273 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.308 -0.371 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.568 -2.867 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.303 -2.665 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.366 -4.092 -1.473 1.00 0.00 H new ATOM 653 N SER A 46 0.890 -0.423 0.492 1.00 0.00 N ATOM 654 CA SER A 46 1.334 0.963 0.572 1.00 0.00 C ATOM 655 C SER A 46 0.902 1.744 -0.665 1.00 0.00 C ATOM 656 O SER A 46 1.135 1.316 -1.796 1.00 0.00 O ATOM 657 CB SER A 46 2.855 1.027 0.724 1.00 0.00 C ATOM 658 OG SER A 46 3.300 0.164 1.757 1.00 0.00 O ATOM 0 H SER A 46 1.423 -0.999 -0.159 1.00 0.00 H new ATOM 0 HA SER A 46 0.870 1.417 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.330 0.749 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.159 2.050 0.944 1.00 0.00 H new ATOM 0 HG SER A 46 3.316 0.652 2.607 1.00 0.00 H new ATOM 664 N VAL A 47 0.272 2.893 -0.443 1.00 0.00 N ATOM 665 CA VAL A 47 -0.192 3.735 -1.539 1.00 0.00 C ATOM 666 C VAL A 47 0.251 5.181 -1.346 1.00 0.00 C ATOM 667 O VAL A 47 0.238 5.703 -0.231 1.00 0.00 O ATOM 668 CB VAL A 47 -1.726 3.693 -1.668 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.161 4.206 -3.032 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.242 2.283 -1.430 1.00 0.00 C ATOM 0 H VAL A 47 0.071 3.262 0.486 1.00 0.00 H new ATOM 0 HA VAL A 47 0.253 3.340 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.155 4.345 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.248 4.169 -3.105 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.824 5.235 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.724 3.582 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.328 2.272 -1.525 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.806 1.607 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.962 1.957 -0.428 1.00 0.00 H new ATOM 680 N LEU A 48 0.645 5.824 -2.440 1.00 0.00 N ATOM 681 CA LEU A 48 1.092 7.212 -2.393 1.00 0.00 C ATOM 682 C LEU A 48 -0.037 8.162 -2.777 1.00 0.00 C ATOM 683 O LEU A 48 -0.566 8.097 -3.887 1.00 0.00 O ATOM 684 CB LEU A 48 2.286 7.416 -3.327 1.00 0.00 C ATOM 685 CG LEU A 48 3.106 8.685 -3.101 1.00 0.00 C ATOM 686 CD1 LEU A 48 3.803 8.638 -1.751 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.120 8.872 -4.221 1.00 0.00 C ATOM 0 H LEU A 48 0.664 5.406 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 48 1.396 7.435 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.949 6.557 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.921 7.421 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 48 2.427 9.538 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.382 9.550 -1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.058 8.554 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.469 7.776 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.695 9.781 -4.043 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.794 8.016 -4.248 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.598 8.953 -5.174 1.00 0.00 H new ATOM 699 N SER A 49 -0.401 9.045 -1.853 1.00 0.00 N ATOM 700 CA SER A 49 -1.469 10.009 -2.095 1.00 0.00 C ATOM 701 C SER A 49 -0.964 11.180 -2.935 1.00 0.00 C ATOM 702 O SER A 49 0.231 11.473 -2.956 1.00 0.00 O ATOM 703 CB SER A 49 -2.030 10.523 -0.769 1.00 0.00 C ATOM 704 OG SER A 49 -1.080 11.325 -0.088 1.00 0.00 O ATOM 0 H SER A 49 0.028 9.113 -0.930 1.00 0.00 H new ATOM 0 HA SER A 49 -2.263 9.504 -2.646 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.934 11.103 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.315 9.680 -0.140 1.00 0.00 H new ATOM 0 HG SER A 49 -0.365 10.756 0.267 1.00 0.00 H new ATOM 710 N ASP A 50 -1.885 11.843 -3.625 1.00 0.00 N ATOM 711 CA ASP A 50 -1.536 12.983 -4.466 1.00 0.00 C ATOM 712 C ASP A 50 -1.405 14.254 -3.632 1.00 0.00 C ATOM 713 O ASP A 50 -1.341 15.357 -4.172 1.00 0.00 O ATOM 714 CB ASP A 50 -2.590 13.181 -5.557 1.00 0.00 C ATOM 715 CG ASP A 50 -2.361 14.445 -6.360 1.00 0.00 C ATOM 716 OD1 ASP A 50 -1.191 14.738 -6.685 1.00 0.00 O ATOM 717 OD2 ASP A 50 -3.351 15.143 -6.664 1.00 0.00 O ATOM 0 H ASP A 50 -2.878 11.611 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.574 12.776 -4.934 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.581 12.322 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.579 13.218 -5.100 1.00 0.00 H new ATOM 722 N GLN A 51 -1.366 14.089 -2.314 1.00 0.00 N ATOM 723 CA GLN A 51 -1.244 15.223 -1.406 1.00 0.00 C ATOM 724 C GLN A 51 0.075 15.170 -0.642 1.00 0.00 C ATOM 725 O GLN A 51 0.449 14.146 -0.070 1.00 0.00 O ATOM 726 CB GLN A 51 -2.416 15.244 -0.422 1.00 0.00 C ATOM 727 CG GLN A 51 -3.761 15.490 -1.085 1.00 0.00 C ATOM 728 CD GLN A 51 -4.812 15.979 -0.108 1.00 0.00 C ATOM 729 OE1 GLN A 51 -4.489 16.497 0.961 1.00 0.00 O ATOM 730 NE2 GLN A 51 -6.080 15.816 -0.471 1.00 0.00 N ATOM 0 H GLN A 51 -1.417 13.181 -1.851 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.262 16.136 -2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.451 14.293 0.110 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.240 16.020 0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.640 16.225 -1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.106 14.567 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.302 15.381 -1.367 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.831 16.125 0.146 1.00 0.00 H new ATOM 739 N PRO A 52 0.799 16.299 -0.633 1.00 0.00 N ATOM 740 CA PRO A 52 2.088 16.408 0.058 1.00 0.00 C ATOM 741 C PRO A 52 1.938 16.374 1.574 1.00 0.00 C ATOM 742 O PRO A 52 0.839 16.534 2.104 1.00 0.00 O ATOM 743 CB PRO A 52 2.621 17.768 -0.398 1.00 0.00 C ATOM 744 CG PRO A 52 1.406 18.552 -0.753 1.00 0.00 C ATOM 745 CD PRO A 52 0.415 17.558 -1.293 1.00 0.00 C ATOM 0 HA PRO A 52 2.750 15.575 -0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.189 18.256 0.394 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.289 17.665 -1.253 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.005 19.068 0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.637 19.315 -1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.610 17.841 -1.053 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.477 17.478 -2.378 1.00 0.00 H new ATOM 753 N LYS A 53 3.051 16.166 2.270 1.00 0.00 N ATOM 754 CA LYS A 53 3.045 16.114 3.727 1.00 0.00 C ATOM 755 C LYS A 53 2.928 17.514 4.322 1.00 0.00 C ATOM 756 O LYS A 53 2.248 17.716 5.326 1.00 0.00 O ATOM 757 CB LYS A 53 4.318 15.436 4.239 1.00 0.00 C ATOM 758 CG LYS A 53 4.352 13.938 3.992 1.00 0.00 C ATOM 759 CD LYS A 53 5.726 13.357 4.276 1.00 0.00 C ATOM 760 CE LYS A 53 5.957 13.176 5.769 1.00 0.00 C ATOM 761 NZ LYS A 53 7.267 12.528 6.054 1.00 0.00 N ATOM 0 H LYS A 53 3.970 16.031 1.848 1.00 0.00 H new ATOM 0 HA LYS A 53 2.179 15.532 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.182 15.895 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.413 15.621 5.309 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.611 13.447 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.076 13.733 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.827 12.396 3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.492 14.014 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.917 14.147 6.263 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.154 12.571 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.386 12.423 7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.296 11.591 5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.036 13.117 5.675 1.00 0.00 H new ATOM 813 N SER A 58 7.546 19.175 -0.679 1.00 0.00 N ATOM 814 CA SER A 58 7.574 18.030 0.223 1.00 0.00 C ATOM 815 C SER A 58 7.051 16.777 -0.473 1.00 0.00 C ATOM 816 O SER A 58 6.270 16.842 -1.422 1.00 0.00 O ATOM 817 CB SER A 58 6.739 18.318 1.472 1.00 0.00 C ATOM 818 OG SER A 58 5.676 19.209 1.182 1.00 0.00 O ATOM 0 HA SER A 58 8.609 17.856 0.518 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.338 17.385 1.868 1.00 0.00 H new ATOM 0 HB3 SER A 58 7.375 18.746 2.247 1.00 0.00 H new ATOM 0 HG SER A 58 5.830 19.629 0.310 1.00 0.00 H new ATOM 824 N PRO A 59 7.493 15.606 0.009 1.00 0.00 N ATOM 825 CA PRO A 59 7.084 14.314 -0.551 1.00 0.00 C ATOM 826 C PRO A 59 5.622 13.993 -0.261 1.00 0.00 C ATOM 827 O PRO A 59 5.043 14.502 0.701 1.00 0.00 O ATOM 828 CB PRO A 59 8.002 13.313 0.157 1.00 0.00 C ATOM 829 CG PRO A 59 8.371 13.979 1.437 1.00 0.00 C ATOM 830 CD PRO A 59 8.426 15.452 1.138 1.00 0.00 C ATOM 0 HA PRO A 59 7.169 14.296 -1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.493 12.366 0.336 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.885 13.092 -0.443 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.636 13.766 2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.333 13.619 1.801 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.119 16.048 1.997 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.434 15.771 0.873 1.00 0.00 H new ATOM 838 N LEU A 60 5.029 13.148 -1.096 1.00 0.00 N ATOM 839 CA LEU A 60 3.633 12.759 -0.929 1.00 0.00 C ATOM 840 C LEU A 60 3.473 11.800 0.246 1.00 0.00 C ATOM 841 O LEU A 60 4.279 10.888 0.430 1.00 0.00 O ATOM 842 CB LEU A 60 3.108 12.107 -2.210 1.00 0.00 C ATOM 843 CG LEU A 60 2.543 13.060 -3.263 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.300 14.378 -3.253 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.599 12.421 -4.644 1.00 0.00 C ATOM 0 H LEU A 60 5.493 12.718 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 60 3.052 13.658 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.919 11.536 -2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.329 11.394 -1.939 1.00 0.00 H new ATOM 0 HG LEU A 60 1.500 13.263 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.883 15.043 -4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.209 14.843 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.352 14.195 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.193 13.113 -5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.634 12.188 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.010 11.504 -4.645 1.00 0.00 H new ATOM 857 N ARG A 61 2.425 12.012 1.037 1.00 0.00 N ATOM 858 CA ARG A 61 2.158 11.166 2.194 1.00 0.00 C ATOM 859 C ARG A 61 1.763 9.758 1.757 1.00 0.00 C ATOM 860 O ARG A 61 0.920 9.582 0.879 1.00 0.00 O ATOM 861 CB ARG A 61 1.048 11.775 3.052 1.00 0.00 C ATOM 862 CG ARG A 61 0.910 11.125 4.419 1.00 0.00 C ATOM 863 CD ARG A 61 1.839 11.767 5.438 1.00 0.00 C ATOM 864 NE ARG A 61 1.490 11.397 6.806 1.00 0.00 N ATOM 865 CZ ARG A 61 1.830 10.241 7.366 1.00 0.00 C ATOM 866 NH1 ARG A 61 2.526 9.348 6.677 1.00 0.00 N ATOM 867 NH2 ARG A 61 1.476 9.978 8.617 1.00 0.00 N ATOM 0 H ARG A 61 1.748 12.762 0.897 1.00 0.00 H new ATOM 0 HA ARG A 61 3.071 11.102 2.785 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.244 12.839 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.100 11.688 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.121 11.210 4.761 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.133 10.061 4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.866 11.466 5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 61 1.797 12.851 5.334 1.00 0.00 H new ATOM 0 HE ARG A 61 0.955 12.063 7.363 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.801 9.548 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.786 8.461 7.108 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.942 10.664 9.151 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.738 9.090 9.045 1.00 0.00 H new ATOM 881 N VAL A 62 2.380 8.756 2.378 1.00 0.00 N ATOM 882 CA VAL A 62 2.094 7.364 2.055 1.00 0.00 C ATOM 883 C VAL A 62 1.089 6.768 3.034 1.00 0.00 C ATOM 884 O VAL A 62 0.959 7.233 4.168 1.00 0.00 O ATOM 885 CB VAL A 62 3.376 6.510 2.067 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.059 5.067 1.705 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.412 7.091 1.118 1.00 0.00 C ATOM 0 H VAL A 62 3.081 8.884 3.108 1.00 0.00 H new ATOM 0 HA VAL A 62 1.669 7.353 1.051 1.00 0.00 H new ATOM 0 HB VAL A 62 3.792 6.524 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.976 4.479 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.354 4.657 2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.619 5.030 0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.311 6.475 1.139 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.008 7.109 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.660 8.106 1.428 1.00 0.00 H new ATOM 897 N THR A 63 0.380 5.735 2.591 1.00 0.00 N ATOM 898 CA THR A 63 -0.614 5.076 3.429 1.00 0.00 C ATOM 899 C THR A 63 -0.433 3.561 3.407 1.00 0.00 C ATOM 900 O THR A 63 -0.480 2.935 2.347 1.00 0.00 O ATOM 901 CB THR A 63 -2.046 5.416 2.975 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.265 6.829 3.063 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.072 4.685 3.827 1.00 0.00 C ATOM 0 H THR A 63 0.476 5.337 1.657 1.00 0.00 H new ATOM 0 HA THR A 63 -0.466 5.443 4.444 1.00 0.00 H new ATOM 0 HB THR A 63 -2.161 5.094 1.940 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.177 7.037 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.076 4.941 3.487 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.921 3.609 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.956 4.980 4.870 1.00 0.00 H new ATOM 911 N HIS A 64 -0.226 2.978 4.583 1.00 0.00 N ATOM 912 CA HIS A 64 -0.040 1.537 4.700 1.00 0.00 C ATOM 913 C HIS A 64 -1.291 0.869 5.261 1.00 0.00 C ATOM 914 O HIS A 64 -1.762 1.223 6.344 1.00 0.00 O ATOM 915 CB HIS A 64 1.162 1.227 5.593 1.00 0.00 C ATOM 916 CG HIS A 64 2.309 2.172 5.405 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.245 2.028 4.402 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.665 3.280 6.094 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.130 3.005 4.487 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.800 3.779 5.504 1.00 0.00 N ATOM 0 H HIS A 64 -0.183 3.482 5.469 1.00 0.00 H new ATOM 0 HA HIS A 64 0.145 1.139 3.702 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.846 1.255 6.636 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.502 0.211 5.390 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.152 3.695 6.949 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.979 3.146 3.835 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.306 4.613 5.803 1.00 0.00 H new ATOM 929 N ILE A 65 -1.827 -0.093 4.519 1.00 0.00 N ATOM 930 CA ILE A 65 -3.024 -0.809 4.943 1.00 0.00 C ATOM 931 C ILE A 65 -2.741 -2.296 5.125 1.00 0.00 C ATOM 932 O ILE A 65 -2.591 -3.034 4.151 1.00 0.00 O ATOM 933 CB ILE A 65 -4.172 -0.636 3.933 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.355 0.844 3.584 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.463 -1.217 4.491 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.944 1.072 2.209 1.00 0.00 C ATOM 0 H ILE A 65 -1.451 -0.395 3.620 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.325 -0.380 5.899 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.918 -1.177 3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.002 1.307 4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.389 1.345 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.265 -1.086 3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.326 -2.279 4.693 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.724 -0.702 5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.045 2.142 2.030 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.287 0.638 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.925 0.600 2.150 1.00 0.00 H new ATOM 948 N LYS A 66 -2.671 -2.732 6.378 1.00 0.00 N ATOM 949 CA LYS A 66 -2.408 -4.132 6.688 1.00 0.00 C ATOM 950 C LYS A 66 -3.348 -5.047 5.908 1.00 0.00 C ATOM 951 O LYS A 66 -4.563 -4.858 5.918 1.00 0.00 O ATOM 952 CB LYS A 66 -2.567 -4.381 8.190 1.00 0.00 C ATOM 953 CG LYS A 66 -1.610 -3.570 9.045 1.00 0.00 C ATOM 954 CD LYS A 66 -2.284 -2.334 9.617 1.00 0.00 C ATOM 955 CE LYS A 66 -2.880 -2.607 10.989 1.00 0.00 C ATOM 956 NZ LYS A 66 -3.706 -1.467 11.474 1.00 0.00 N ATOM 0 H LYS A 66 -2.793 -2.135 7.196 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.383 -4.358 6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.590 -4.146 8.482 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.413 -5.441 8.392 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.233 -4.190 9.859 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.749 -3.272 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.559 -1.524 9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.069 -2.000 8.938 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.494 -3.507 10.945 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.078 -2.802 11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.094 -1.694 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.115 -0.614 11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.487 -1.296 10.809 1.00 0.00 H new ATOM 970 N VAL A 67 -2.774 -6.038 5.234 1.00 0.00 N ATOM 971 CA VAL A 67 -3.560 -6.985 4.451 1.00 0.00 C ATOM 972 C VAL A 67 -3.491 -8.385 5.050 1.00 0.00 C ATOM 973 O VAL A 67 -2.457 -9.049 4.982 1.00 0.00 O ATOM 974 CB VAL A 67 -3.079 -7.039 2.988 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.923 -8.016 2.185 1.00 0.00 C ATOM 976 CG2 VAL A 67 -3.113 -5.653 2.365 1.00 0.00 C ATOM 0 H VAL A 67 -1.768 -6.206 5.214 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.592 -6.635 4.474 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.048 -7.392 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.569 -8.041 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.841 -9.012 2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.965 -7.697 2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.770 -5.710 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.133 -5.269 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.461 -4.985 2.927 1.00 0.00 H new ATOM 986 N MET A 68 -4.599 -8.827 5.635 1.00 0.00 N ATOM 987 CA MET A 68 -4.664 -10.151 6.245 1.00 0.00 C ATOM 988 C MET A 68 -4.724 -11.238 5.178 1.00 0.00 C ATOM 989 O MET A 68 -5.566 -11.193 4.279 1.00 0.00 O ATOM 990 CB MET A 68 -5.884 -10.252 7.163 1.00 0.00 C ATOM 991 CG MET A 68 -5.728 -9.490 8.469 1.00 0.00 C ATOM 992 SD MET A 68 -7.309 -9.116 9.249 1.00 0.00 S ATOM 993 CE MET A 68 -7.693 -7.536 8.497 1.00 0.00 C ATOM 0 H MET A 68 -5.463 -8.289 5.700 1.00 0.00 H new ATOM 0 HA MET A 68 -3.760 -10.297 6.836 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.759 -9.874 6.634 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.075 -11.302 7.385 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.118 -10.076 9.156 1.00 0.00 H new ATOM 0 HG3 MET A 68 -5.191 -8.560 8.281 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.647 -7.173 8.880 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.908 -6.819 8.737 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.758 -7.654 7.415 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.829 -12.214 5.282 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.779 -13.313 4.325 1.00 0.00 C ATOM 1005 C CYS A 69 -4.044 -14.647 5.015 1.00 0.00 C ATOM 1006 O CYS A 69 -3.344 -15.019 5.957 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.421 -13.347 3.625 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.208 -14.739 2.492 1.00 0.00 S ATOM 0 H CYS A 69 -3.127 -12.266 6.020 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.558 -13.149 3.580 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.287 -12.418 3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.636 -13.384 4.380 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.104 -14.295 1.274 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.790 -16.345 0.284 1.00 0.00 N ATOM 1044 CA ARG A 73 -6.682 -15.210 0.083 1.00 0.00 C ATOM 1045 C ARG A 73 -6.101 -13.944 0.707 1.00 0.00 C ATOM 1046 O ARG A 73 -5.003 -13.962 1.263 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.059 -15.502 0.684 1.00 0.00 C ATOM 1048 CG ARG A 73 -8.059 -15.563 2.202 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.127 -16.514 2.721 1.00 0.00 C ATOM 1050 NE ARG A 73 -8.724 -17.912 2.589 1.00 0.00 N ATOM 1051 CZ ARG A 73 -9.342 -18.916 3.201 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -10.386 -18.678 3.984 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -8.917 -20.161 3.032 1.00 0.00 N ATOM 0 HA ARG A 73 -6.788 -15.050 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.759 -14.732 0.360 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.424 -16.451 0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.080 -15.887 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.230 -14.566 2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.332 -16.293 3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.055 -16.351 2.173 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.924 -18.129 1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.716 -17.722 4.117 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.859 -19.451 4.453 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.114 -20.349 2.431 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.393 -20.931 3.503 1.00 0.00 H new ATOM 1067 N TYR A 74 -6.845 -12.848 0.610 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.403 -11.574 1.162 1.00 0.00 C ATOM 1069 C TYR A 74 -7.595 -10.693 1.525 1.00 0.00 C ATOM 1070 O TYR A 74 -8.623 -10.709 0.847 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.502 -10.846 0.163 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.313 -11.664 -0.288 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -3.111 -11.623 0.409 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -4.392 -12.479 -1.410 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -2.023 -12.367 0.000 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -3.308 -13.228 -1.827 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.126 -13.169 -1.119 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.044 -13.914 -1.529 1.00 0.00 O ATOM 0 H TYR A 74 -7.757 -12.817 0.154 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.836 -11.779 2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.092 -10.567 -0.710 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.145 -9.921 0.616 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.027 -10.998 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.317 -12.528 -1.966 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.096 -12.322 0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.386 -13.856 -2.702 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.283 -14.424 -2.331 1.00 0.00 H new ATOM 1088 N THR A 75 -7.450 -9.923 2.599 1.00 0.00 N ATOM 1089 CA THR A 75 -8.513 -9.036 3.053 1.00 0.00 C ATOM 1090 C THR A 75 -7.944 -7.832 3.796 1.00 0.00 C ATOM 1091 O THR A 75 -6.752 -7.782 4.097 1.00 0.00 O ATOM 1092 CB THR A 75 -9.504 -9.772 3.974 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.630 -8.932 4.253 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.832 -10.178 5.277 1.00 0.00 C ATOM 0 H THR A 75 -6.606 -9.896 3.171 1.00 0.00 H new ATOM 0 HA THR A 75 -9.041 -8.694 2.163 1.00 0.00 H new ATOM 0 HB THR A 75 -9.842 -10.673 3.462 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.736 -8.839 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.551 -10.696 5.911 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.994 -10.841 5.063 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.469 -9.288 5.792 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.806 -6.864 4.090 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.390 -5.660 4.800 1.00 0.00 C ATOM 1104 C VAL A 76 -9.537 -5.082 5.621 1.00 0.00 C ATOM 1105 O VAL A 76 -10.523 -4.594 5.072 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.877 -4.583 3.825 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.495 -4.947 3.304 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.857 -4.394 2.677 1.00 0.00 C ATOM 0 H VAL A 76 -9.796 -6.890 3.848 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.579 -5.951 5.468 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.797 -3.639 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.150 -4.174 2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.800 -5.026 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.543 -5.902 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.479 -3.630 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.971 -5.334 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.824 -4.082 3.072 1.00 0.00 H new ATOM 1118 N GLY A 77 -9.399 -5.141 6.943 1.00 0.00 N ATOM 1119 CA GLY A 77 -10.432 -4.620 7.820 1.00 0.00 C ATOM 1120 C GLY A 77 -11.646 -5.525 7.888 1.00 0.00 C ATOM 1121 O GLY A 77 -12.114 -5.866 8.973 1.00 0.00 O ATOM 0 H GLY A 77 -8.591 -5.540 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.022 -4.491 8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.737 -3.634 7.471 1.00 0.00 H new ATOM 1125 N GLY A 78 -12.158 -5.914 6.725 1.00 0.00 N ATOM 1126 CA GLY A 78 -13.322 -6.780 6.679 1.00 0.00 C ATOM 1127 C GLY A 78 -12.957 -8.229 6.428 1.00 0.00 C ATOM 1128 O GLY A 78 -11.778 -8.582 6.386 1.00 0.00 O ATOM 0 H GLY A 78 -11.788 -5.645 5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.865 -6.703 7.621 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.995 -6.437 5.894 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.970 -9.073 6.262 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.750 -10.494 6.015 1.00 0.00 C ATOM 1134 C LEU A 79 -13.551 -10.763 4.526 1.00 0.00 C ATOM 1135 O LEU A 79 -12.985 -11.785 4.141 1.00 0.00 O ATOM 1136 CB LEU A 79 -14.931 -11.311 6.539 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.309 -10.920 6.004 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.637 -11.708 4.745 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.376 -11.140 7.066 1.00 0.00 C ATOM 0 H LEU A 79 -14.952 -8.798 6.294 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.845 -10.794 6.544 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.755 -12.360 6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.949 -11.230 7.626 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.291 -9.860 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.621 -11.416 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.889 -11.499 3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.636 -12.774 4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.350 -10.856 6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.393 -12.192 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.150 -10.530 7.941 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.019 -9.837 3.694 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.892 -9.975 2.249 1.00 0.00 C ATOM 1153 C GLU A 80 -12.532 -10.561 1.876 1.00 0.00 C ATOM 1154 O GLU A 80 -11.532 -9.845 1.810 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.079 -8.619 1.566 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.534 -8.264 1.306 1.00 0.00 C ATOM 1157 CD GLU A 80 -16.030 -8.781 -0.031 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.525 -9.826 -0.488 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.925 -8.138 -0.619 1.00 0.00 O ATOM 0 H GLU A 80 -14.489 -8.984 3.997 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.670 -10.657 1.905 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.630 -7.844 2.187 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.539 -8.621 0.619 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.153 -8.676 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.651 -7.181 1.339 1.00 0.00 H new ATOM 1166 N THR A 81 -12.504 -11.868 1.635 1.00 0.00 N ATOM 1167 CA THR A 81 -11.269 -12.551 1.271 1.00 0.00 C ATOM 1168 C THR A 81 -11.204 -12.808 -0.230 1.00 0.00 C ATOM 1169 O THR A 81 -11.815 -13.752 -0.735 1.00 0.00 O ATOM 1170 CB THR A 81 -11.128 -13.891 2.017 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.342 -14.642 1.910 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.794 -13.662 3.484 1.00 0.00 C ATOM 0 H THR A 81 -13.323 -12.475 1.685 1.00 0.00 H new ATOM 0 HA THR A 81 -10.448 -11.895 1.560 1.00 0.00 H new ATOM 0 HB THR A 81 -10.313 -14.452 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.647 -14.639 0.979 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.699 -14.623 3.990 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.854 -13.117 3.562 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.590 -13.082 3.952 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.462 -11.966 -0.939 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.318 -12.102 -2.384 1.00 0.00 C ATOM 1182 C PHE A 82 -9.495 -13.338 -2.734 1.00 0.00 C ATOM 1183 O PHE A 82 -8.850 -13.933 -1.870 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.659 -10.853 -2.973 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.360 -9.576 -2.605 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.083 -8.940 -1.405 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.295 -9.012 -3.458 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.726 -7.764 -1.064 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.941 -7.838 -3.121 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.656 -7.213 -1.923 1.00 0.00 C ATOM 0 H PHE A 82 -9.950 -11.181 -0.537 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.313 -12.215 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.625 -10.802 -2.632 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.632 -10.944 -4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.357 -9.367 -0.729 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.521 -9.495 -4.397 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.501 -7.277 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.669 -7.409 -3.794 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.160 -6.295 -1.658 1.00 0.00 H new ATOM 1200 N ASP A 83 -9.522 -13.719 -4.007 1.00 0.00 N ATOM 1201 CA ASP A 83 -8.779 -14.884 -4.472 1.00 0.00 C ATOM 1202 C ASP A 83 -7.276 -14.617 -4.441 1.00 0.00 C ATOM 1203 O ASP A 83 -6.479 -15.528 -4.220 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.213 -15.259 -5.889 1.00 0.00 C ATOM 1205 CG ASP A 83 -10.412 -16.188 -5.899 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -10.334 -17.264 -5.270 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -11.427 -15.840 -6.537 1.00 0.00 O ATOM 0 H ASP A 83 -10.050 -13.238 -4.735 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.997 -15.715 -3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.454 -14.353 -6.444 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.381 -15.738 -6.406 1.00 0.00 H new ATOM 1212 N SER A 84 -6.899 -13.363 -4.667 1.00 0.00 N ATOM 1213 CA SER A 84 -5.492 -12.977 -4.670 1.00 0.00 C ATOM 1214 C SER A 84 -5.345 -11.460 -4.614 1.00 0.00 C ATOM 1215 O SER A 84 -6.335 -10.731 -4.532 1.00 0.00 O ATOM 1216 CB SER A 84 -4.794 -13.523 -5.917 1.00 0.00 C ATOM 1217 OG SER A 84 -4.558 -14.915 -5.801 1.00 0.00 O ATOM 0 H SER A 84 -7.547 -12.597 -4.850 1.00 0.00 H new ATOM 0 HA SER A 84 -5.022 -13.403 -3.784 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.408 -13.327 -6.796 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.848 -13.002 -6.066 1.00 0.00 H new ATOM 0 HG SER A 84 -4.956 -15.246 -4.969 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.104 -10.990 -4.659 1.00 0.00 N ATOM 1224 CA LEU A 85 -3.824 -9.558 -4.614 1.00 0.00 C ATOM 1225 C LEU A 85 -4.397 -8.854 -5.839 1.00 0.00 C ATOM 1226 O LEU A 85 -4.874 -7.722 -5.751 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.316 -9.315 -4.529 1.00 0.00 C ATOM 1228 CG LEU A 85 -1.713 -9.325 -3.124 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -2.373 -8.268 -2.252 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -1.852 -10.703 -2.493 1.00 0.00 C ATOM 0 H LEU A 85 -3.274 -11.579 -4.727 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.301 -9.146 -3.725 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.811 -10.076 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.097 -8.352 -4.990 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.652 -9.090 -3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.931 -8.290 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.220 -7.284 -2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.441 -8.472 -2.179 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.417 -10.691 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.907 -10.968 -2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.331 -11.438 -3.106 1.00 0.00 H new ATOM 1242 N THR A 86 -4.348 -9.530 -6.982 1.00 0.00 N ATOM 1243 CA THR A 86 -4.863 -8.970 -8.225 1.00 0.00 C ATOM 1244 C THR A 86 -6.376 -8.797 -8.166 1.00 0.00 C ATOM 1245 O THR A 86 -6.933 -7.896 -8.794 1.00 0.00 O ATOM 1246 CB THR A 86 -4.507 -9.858 -9.432 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.085 -10.009 -9.526 1.00 0.00 O ATOM 1248 CG2 THR A 86 -5.046 -9.259 -10.722 1.00 0.00 C ATOM 0 H THR A 86 -3.956 -10.467 -7.073 1.00 0.00 H new ATOM 0 HA THR A 86 -4.393 -7.994 -8.349 1.00 0.00 H new ATOM 0 HB THR A 86 -4.967 -10.835 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.866 -10.576 -10.295 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.782 -9.904 -11.560 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.131 -9.173 -10.658 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.612 -8.271 -10.873 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.037 -9.663 -7.405 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.487 -9.605 -7.262 1.00 0.00 C ATOM 1258 C ASP A 87 -8.886 -8.601 -6.186 1.00 0.00 C ATOM 1259 O ASP A 87 -9.912 -7.929 -6.298 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.043 -10.987 -6.920 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.223 -11.860 -8.147 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -8.204 -12.310 -8.710 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.385 -12.091 -8.544 1.00 0.00 O ATOM 0 H ASP A 87 -6.591 -10.414 -6.878 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.909 -9.279 -8.213 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.370 -11.483 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.002 -10.874 -6.414 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.070 -8.504 -5.142 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.338 -7.583 -4.043 1.00 0.00 C ATOM 1270 C LEU A 88 -7.968 -6.154 -4.428 1.00 0.00 C ATOM 1271 O LEU A 88 -8.642 -5.201 -4.038 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.560 -8.005 -2.795 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.573 -7.016 -1.630 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.501 -7.754 -0.302 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.422 -6.028 -1.756 1.00 0.00 C ATOM 0 H LEU A 88 -7.217 -9.052 -5.033 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.406 -7.617 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -7.963 -8.955 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.524 -8.185 -3.081 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.509 -6.459 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.511 -7.033 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.358 -8.421 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.581 -8.338 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.447 -5.331 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.476 -6.569 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.518 -5.475 -2.690 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.894 -6.014 -5.197 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.436 -4.701 -5.639 1.00 0.00 C ATOM 1289 C VAL A 89 -7.337 -4.145 -6.736 1.00 0.00 C ATOM 1290 O VAL A 89 -7.913 -3.068 -6.591 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.986 -4.758 -6.158 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.671 -3.529 -6.996 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -4.010 -4.889 -4.999 1.00 0.00 C ATOM 0 H VAL A 89 -6.324 -6.793 -5.527 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.477 -4.042 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.879 -5.638 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.643 -3.586 -7.354 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.350 -3.486 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.794 -2.633 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.991 -4.928 -5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.115 -4.030 -4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.224 -5.803 -4.445 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.451 -4.888 -7.832 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.282 -4.468 -8.955 1.00 0.00 C ATOM 1305 C GLU A 90 -9.594 -3.863 -8.465 1.00 0.00 C ATOM 1306 O GLU A 90 -10.058 -2.850 -8.989 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.568 -5.653 -9.879 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.514 -5.856 -10.954 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.708 -4.935 -12.143 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.154 -3.816 -12.124 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -8.414 -5.334 -13.092 1.00 0.00 O ATOM 0 H GLU A 90 -6.979 -5.782 -7.967 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.736 -3.706 -9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.643 -6.560 -9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.537 -5.505 -10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.526 -5.687 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.541 -6.892 -11.293 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.187 -4.491 -7.455 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.447 -4.016 -6.892 1.00 0.00 C ATOM 1320 C HIS A 91 -11.292 -2.605 -6.333 1.00 0.00 C ATOM 1321 O HIS A 91 -12.188 -1.771 -6.470 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.929 -4.963 -5.794 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.050 -4.405 -4.972 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.851 -3.738 -3.782 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.389 -4.419 -5.176 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.018 -3.365 -3.289 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -14.967 -3.766 -4.115 1.00 0.00 N ATOM 0 H HIS A 91 -9.816 -5.330 -7.009 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.189 -3.993 -7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.254 -5.899 -6.249 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.092 -5.202 -5.138 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.944 -3.560 -3.350 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.905 -4.861 -6.015 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.170 -2.824 -2.367 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.153 -2.345 -5.700 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.883 -1.036 -5.118 1.00 0.00 C ATOM 1338 C PHE A 92 -9.306 -0.085 -6.161 1.00 0.00 C ATOM 1339 O PHE A 92 -9.350 1.135 -5.999 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.914 -1.168 -3.941 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.474 -1.954 -2.789 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.751 -1.702 -2.317 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.721 -2.945 -2.179 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.269 -2.425 -1.258 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.234 -3.670 -1.120 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.509 -3.409 -0.658 1.00 0.00 C ATOM 0 H PHE A 92 -9.402 -3.024 -5.577 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.826 -0.624 -4.759 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.998 -1.647 -4.287 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.640 -0.172 -3.592 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.349 -0.932 -2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.723 -3.153 -2.535 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.267 -2.220 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.638 -4.441 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.911 -3.973 0.171 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.764 -0.652 -7.235 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.179 0.143 -8.307 1.00 0.00 C ATOM 1358 C LYS A 93 -9.256 0.903 -9.073 1.00 0.00 C ATOM 1359 O LYS A 93 -8.988 1.938 -9.683 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.394 -0.755 -9.266 1.00 0.00 C ATOM 1361 CG LYS A 93 -5.966 -1.020 -8.821 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.243 -1.945 -9.786 1.00 0.00 C ATOM 1363 CE LYS A 93 -4.979 -1.262 -11.119 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.381 -2.197 -12.112 1.00 0.00 N ATOM 0 H LYS A 93 -8.718 -1.660 -7.385 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.499 0.867 -7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.916 -1.706 -9.369 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.378 -0.292 -10.253 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.426 -0.076 -8.747 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.971 -1.463 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.298 -2.265 -9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.840 -2.843 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.913 -0.862 -11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.309 -0.416 -10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.122 -1.672 -12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.531 -2.637 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.072 -2.936 -12.353 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.479 0.383 -9.036 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.600 1.013 -9.724 1.00 0.00 C ATOM 1380 C LYS A 94 -12.503 1.744 -8.736 1.00 0.00 C ATOM 1381 O LYS A 94 -13.042 2.809 -9.041 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.408 -0.034 -10.492 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.947 -1.150 -9.614 1.00 0.00 C ATOM 1384 CD LYS A 94 -14.215 -1.754 -10.193 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.610 -3.029 -9.464 1.00 0.00 C ATOM 1386 NZ LYS A 94 -13.934 -4.227 -10.034 1.00 0.00 N ATOM 0 H LYS A 94 -10.719 -0.473 -8.537 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.198 1.741 -10.429 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.242 0.458 -10.993 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.779 -0.467 -11.270 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.190 -1.927 -9.506 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.151 -0.762 -8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.027 -1.030 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.066 -1.970 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.356 -2.937 -8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.691 -3.160 -9.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -14.230 -5.075 -9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.196 -4.330 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.903 -4.114 -9.956 1.00 0.00 H new ATOM 1400 N THR A 95 -12.664 1.167 -7.550 1.00 0.00 N ATOM 1401 CA THR A 95 -13.502 1.764 -6.517 1.00 0.00 C ATOM 1402 C THR A 95 -12.679 2.638 -5.579 1.00 0.00 C ATOM 1403 O THR A 95 -13.035 3.785 -5.311 1.00 0.00 O ATOM 1404 CB THR A 95 -14.228 0.686 -5.691 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.306 0.049 -4.798 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.863 -0.356 -6.599 1.00 0.00 C ATOM 0 H THR A 95 -12.225 0.287 -7.280 1.00 0.00 H new ATOM 0 HA THR A 95 -14.242 2.380 -7.027 1.00 0.00 H new ATOM 0 HB THR A 95 -15.016 1.171 -5.115 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.876 -0.704 -5.254 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.370 -1.107 -5.993 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.585 0.127 -7.257 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.090 -0.836 -7.199 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.574 2.090 -5.081 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.717 2.835 -4.178 1.00 0.00 C ATOM 1416 C GLY A 96 -10.917 2.439 -2.730 1.00 0.00 C ATOM 1417 O GLY A 96 -11.897 1.775 -2.390 1.00 0.00 O ATOM 0 H GLY A 96 -11.257 1.143 -5.287 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.675 2.674 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -10.915 3.901 -4.291 1.00 0.00 H new ATOM 1421 N ILE A 97 -9.987 2.845 -1.872 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.067 2.527 -0.452 1.00 0.00 C ATOM 1423 C ILE A 97 -10.432 3.761 0.368 1.00 0.00 C ATOM 1424 O ILE A 97 -10.021 4.875 0.045 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.738 1.952 0.072 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.537 0.525 -0.442 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.711 1.981 1.593 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.163 -0.036 -0.147 1.00 0.00 C ATOM 0 H ILE A 97 -9.169 3.395 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.848 1.775 -0.341 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.921 2.571 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.289 -0.124 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.704 0.509 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.765 1.571 1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.814 3.009 1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.535 1.383 1.983 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.092 -1.050 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.405 0.590 -0.619 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -7.000 -0.052 0.931 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.204 3.552 1.429 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.623 4.647 2.295 1.00 0.00 C ATOM 1442 C GLU A 98 -11.128 4.433 3.722 1.00 0.00 C ATOM 1443 O GLU A 98 -11.503 3.464 4.381 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.148 4.779 2.288 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.649 6.089 2.871 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.116 6.034 3.254 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -15.964 5.942 2.343 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.414 6.083 4.466 1.00 0.00 O ATOM 0 H GLU A 98 -11.552 2.635 1.709 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.184 5.567 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.507 4.686 1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.578 3.952 2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.057 6.341 3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.497 6.887 2.145 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.281 5.344 4.192 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.732 5.254 5.539 1.00 0.00 C ATOM 1457 C GLU A 99 -10.724 5.791 6.567 1.00 0.00 C ATOM 1458 O GLU A 99 -11.331 6.843 6.369 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.416 6.029 5.632 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.202 5.215 5.218 1.00 0.00 C ATOM 1461 CD GLU A 99 -5.983 6.079 4.953 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -5.215 6.327 5.905 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.799 6.506 3.794 1.00 0.00 O ATOM 0 H GLU A 99 -9.961 6.153 3.659 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.542 4.203 5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.481 6.916 5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.279 6.375 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.968 4.494 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.441 4.645 4.320 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.883 5.061 7.666 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.798 5.463 8.726 1.00 0.00 C ATOM 1472 C ALA A 100 -11.842 6.981 8.866 1.00 0.00 C ATOM 1473 O ALA A 100 -12.917 7.574 8.969 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.395 4.821 10.045 1.00 0.00 C ATOM 0 H ALA A 100 -10.389 4.187 7.845 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.797 5.119 8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.088 5.131 10.827 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.422 3.736 9.945 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.385 5.136 10.309 1.00 0.00 H new ATOM 1480 N SER A 101 -10.669 7.604 8.871 1.00 0.00 N ATOM 1481 CA SER A 101 -10.573 9.054 9.004 1.00 0.00 C ATOM 1482 C SER A 101 -11.406 9.753 7.934 1.00 0.00 C ATOM 1483 O SER A 101 -12.184 10.658 8.231 1.00 0.00 O ATOM 1484 CB SER A 101 -9.114 9.501 8.902 1.00 0.00 C ATOM 1485 OG SER A 101 -8.422 9.261 10.116 1.00 0.00 O ATOM 0 H SER A 101 -9.771 7.128 8.785 1.00 0.00 H new ATOM 0 HA SER A 101 -10.963 9.331 9.983 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.623 8.968 8.088 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.072 10.563 8.659 1.00 0.00 H new ATOM 0 HG SER A 101 -7.491 9.553 10.025 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.237 9.324 6.686 1.00 0.00 N ATOM 1492 CA GLY A 102 -11.979 9.920 5.591 1.00 0.00 C ATOM 1493 C GLY A 102 -11.175 9.971 4.307 1.00 0.00 C ATOM 1494 O GLY A 102 -11.730 10.175 3.227 1.00 0.00 O ATOM 0 H GLY A 102 -10.600 8.575 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.892 9.350 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.281 10.930 5.868 1.00 0.00 H new ATOM 1498 N ALA A 103 -9.864 9.787 4.423 1.00 0.00 N ATOM 1499 CA ALA A 103 -8.984 9.813 3.263 1.00 0.00 C ATOM 1500 C ALA A 103 -9.378 8.744 2.250 1.00 0.00 C ATOM 1501 O ALA A 103 -9.898 7.689 2.615 1.00 0.00 O ATOM 1502 CB ALA A 103 -7.536 9.626 3.694 1.00 0.00 C ATOM 0 H ALA A 103 -9.388 9.618 5.309 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.086 10.786 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.890 9.648 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.252 10.429 4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.428 8.667 4.201 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.128 9.023 0.974 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.459 8.085 -0.093 1.00 0.00 C ATOM 1510 C PHE A 104 -8.211 7.693 -0.878 1.00 0.00 C ATOM 1511 O PHE A 104 -7.687 8.480 -1.667 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.497 8.697 -1.035 1.00 0.00 C ATOM 1513 CG PHE A 104 -11.915 8.427 -0.620 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.560 7.268 -1.022 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -12.604 9.331 0.171 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -13.865 7.017 -0.643 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -13.910 9.086 0.555 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.541 7.926 0.147 1.00 0.00 C ATOM 0 H PHE A 104 -8.698 9.891 0.654 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.877 7.187 0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.340 9.775 -1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.340 8.305 -2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.036 6.553 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.115 10.239 0.492 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.356 6.110 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.436 9.800 1.172 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.560 7.731 0.445 1.00 0.00 H new ATOM 1528 N VAL A 105 -7.739 6.470 -0.658 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.554 5.972 -1.345 1.00 0.00 C ATOM 1530 C VAL A 105 -6.914 5.372 -2.699 1.00 0.00 C ATOM 1531 O VAL A 105 -7.640 4.381 -2.777 1.00 0.00 O ATOM 1532 CB VAL A 105 -5.822 4.910 -0.503 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.680 4.293 -1.297 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.313 5.516 0.795 1.00 0.00 C ATOM 0 H VAL A 105 -8.160 5.806 -0.009 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.893 6.826 -1.494 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.529 4.119 -0.254 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.175 3.545 -0.686 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.076 3.820 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.971 5.071 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -4.799 4.751 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.621 6.328 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.154 5.904 1.370 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.403 5.980 -3.763 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.674 5.507 -5.116 1.00 0.00 C ATOM 1546 C TYR A 106 -5.446 4.821 -5.708 1.00 0.00 C ATOM 1547 O TYR A 106 -4.341 5.363 -5.676 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.101 6.673 -6.011 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.274 7.455 -5.466 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.407 6.806 -4.991 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.249 8.843 -5.424 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.482 7.516 -4.493 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.319 9.562 -4.927 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.433 8.895 -4.462 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.500 9.607 -3.966 1.00 0.00 O ATOM 0 H TYR A 106 -5.799 6.801 -3.716 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.485 4.781 -5.065 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.255 7.348 -6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.359 6.288 -6.998 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.448 5.727 -5.012 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.378 9.369 -5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.356 6.995 -4.130 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.283 10.641 -4.903 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.304 10.566 -4.014 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.649 3.625 -6.250 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.561 2.862 -6.851 1.00 0.00 C ATOM 1567 C LEU A 107 -4.725 2.780 -8.366 1.00 0.00 C ATOM 1568 O LEU A 107 -5.651 2.140 -8.865 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.508 1.454 -6.255 1.00 0.00 C ATOM 1570 CG LEU A 107 -4.972 1.322 -4.804 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.463 1.024 -4.745 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.181 0.237 -4.088 1.00 0.00 C ATOM 0 H LEU A 107 -6.558 3.163 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.626 3.377 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.120 0.796 -6.872 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.482 1.091 -6.322 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.791 2.270 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.775 0.933 -3.705 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.015 1.835 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.668 0.090 -5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.524 0.157 -3.057 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.330 -0.716 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.121 0.492 -4.099 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.821 3.430 -9.090 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.864 3.430 -10.547 1.00 0.00 C ATOM 1586 C ARG A 108 -2.503 3.062 -11.132 1.00 0.00 C ATOM 1587 O ARG A 108 -2.420 2.455 -12.199 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.302 4.801 -11.066 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.229 5.543 -10.117 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.663 6.880 -10.697 1.00 0.00 C ATOM 1591 NE ARG A 108 -6.806 7.442 -9.981 1.00 0.00 N ATOM 1592 CZ ARG A 108 -8.063 7.082 -10.207 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -8.339 6.166 -11.125 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -9.050 7.639 -9.515 1.00 0.00 N ATOM 0 H ARG A 108 -3.049 3.964 -8.691 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.590 2.681 -10.864 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.417 5.411 -11.247 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.804 4.674 -12.025 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.108 4.931 -9.912 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -4.724 5.705 -9.165 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -4.829 7.581 -10.656 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.921 6.753 -11.748 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.628 8.150 -9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.584 5.736 -11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.306 5.891 -11.297 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.842 8.345 -8.808 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.016 7.361 -9.690 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.442 3.437 -10.427 1.00 0.00 N ATOM 1609 CA GLN A 109 -0.085 3.149 -10.877 1.00 0.00 C ATOM 1610 C GLN A 109 0.503 1.969 -10.110 1.00 0.00 C ATOM 1611 O GLN A 109 0.932 2.094 -8.962 1.00 0.00 O ATOM 1612 CB GLN A 109 0.805 4.380 -10.703 1.00 0.00 C ATOM 1613 CG GLN A 109 0.812 5.301 -11.914 1.00 0.00 C ATOM 1614 CD GLN A 109 1.033 6.754 -11.539 1.00 0.00 C ATOM 1615 OE1 GLN A 109 1.874 7.436 -12.125 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.278 7.235 -10.559 1.00 0.00 N ATOM 0 H GLN A 109 -1.495 3.941 -9.542 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.127 2.887 -11.934 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.468 4.942 -9.832 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.825 4.055 -10.498 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.595 4.984 -12.603 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.136 5.206 -12.444 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.407 6.634 -10.101 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.383 8.206 -10.264 1.00 0.00 H new ATOM 1625 N PRO A 110 0.527 0.795 -10.758 1.00 0.00 N ATOM 1626 CA PRO A 110 1.061 -0.431 -10.156 1.00 0.00 C ATOM 1627 C PRO A 110 2.576 -0.382 -9.988 1.00 0.00 C ATOM 1628 O PRO A 110 3.322 -0.823 -10.862 1.00 0.00 O ATOM 1629 CB PRO A 110 0.669 -1.519 -11.158 1.00 0.00 C ATOM 1630 CG PRO A 110 0.538 -0.806 -12.459 1.00 0.00 C ATOM 1631 CD PRO A 110 0.035 0.572 -12.127 1.00 0.00 C ATOM 0 HA PRO A 110 0.669 -0.596 -9.152 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.426 -2.301 -11.210 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.267 -2.000 -10.874 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.496 -0.758 -12.976 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.155 -1.326 -13.121 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.423 1.319 -12.820 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.053 0.625 -12.177 1.00 0.00 H new ATOM 1639 N TYR A 111 3.024 0.157 -8.860 1.00 0.00 N ATOM 1640 CA TYR A 111 4.452 0.266 -8.579 1.00 0.00 C ATOM 1641 C TYR A 111 5.186 -1.005 -8.993 1.00 0.00 C ATOM 1642 O TYR A 111 4.785 -2.113 -8.636 1.00 0.00 O ATOM 1643 CB TYR A 111 4.680 0.539 -7.091 1.00 0.00 C ATOM 1644 CG TYR A 111 5.946 1.314 -6.805 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.192 2.533 -7.426 1.00 0.00 C ATOM 1646 CD2 TYR A 111 6.895 0.829 -5.915 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.348 3.245 -7.169 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.053 1.535 -5.650 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.275 2.742 -6.279 1.00 0.00 C ATOM 1650 OH TYR A 111 9.427 3.448 -6.020 1.00 0.00 O ATOM 0 H TYR A 111 2.420 0.525 -8.125 1.00 0.00 H new ATOM 0 HA TYR A 111 4.849 1.099 -9.159 1.00 0.00 H new ATOM 0 HB2 TYR A 111 3.828 1.093 -6.697 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.717 -0.411 -6.557 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.467 2.930 -8.121 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.725 -0.116 -5.421 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.525 4.190 -7.662 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.780 1.144 -4.954 1.00 0.00 H new ATOM 0 HH TYR A 111 9.222 4.405 -5.980 1.00 0.00 H new ATOM 1660 N TYR A 112 6.266 -0.837 -9.748 1.00 0.00 N ATOM 1661 CA TYR A 112 7.058 -1.968 -10.214 1.00 0.00 C ATOM 1662 C TYR A 112 8.344 -2.103 -9.405 1.00 0.00 C ATOM 1663 O TYR A 112 8.634 -3.163 -8.851 1.00 0.00 O ATOM 1664 CB TYR A 112 7.389 -1.810 -11.699 1.00 0.00 C ATOM 1665 CG TYR A 112 6.192 -1.464 -12.553 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.114 -2.334 -12.660 1.00 0.00 C ATOM 1667 CD2 TYR A 112 6.137 -0.266 -13.255 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.017 -2.022 -13.440 1.00 0.00 C ATOM 1669 CE2 TYR A 112 5.043 0.055 -14.036 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.987 -0.826 -14.126 1.00 0.00 C ATOM 1671 OH TYR A 112 2.897 -0.511 -14.905 1.00 0.00 O ATOM 0 H TYR A 112 6.613 0.073 -10.050 1.00 0.00 H new ATOM 0 HA TYR A 112 6.467 -2.874 -10.076 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.143 -1.032 -11.813 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.830 -2.737 -12.065 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.134 -3.271 -12.124 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.963 0.426 -13.189 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.188 -2.711 -13.512 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.016 0.992 -14.573 1.00 0.00 H new ATOM 0 HH TYR A 112 3.034 0.367 -15.319 1.00 0.00 H new ATOM 1871 N ALA B 9 -2.792 2.429 8.456 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.095 3.079 8.385 1.00 0.00 C ATOM 1873 C ALA B 9 -5.209 2.123 8.798 1.00 0.00 C ATOM 1874 O ALA B 9 -5.027 0.905 8.793 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.345 3.608 6.980 1.00 0.00 C ATOM 0 HA ALA B 9 -4.094 3.917 9.082 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -5.321 4.091 6.941 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.572 4.331 6.721 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -4.321 2.781 6.270 1.00 0.00 H new ATOM 1881 N GLU B 10 -6.360 2.681 9.157 1.00 0.00 N ATOM 1882 CA GLU B 10 -7.502 1.876 9.574 1.00 0.00 C ATOM 1883 C GLU B 10 -8.728 2.187 8.721 1.00 0.00 C ATOM 1884 O GLU B 10 -9.374 3.222 8.896 1.00 0.00 O ATOM 1885 CB GLU B 10 -7.818 2.126 11.051 1.00 0.00 C ATOM 1886 CG GLU B 10 -8.634 1.018 11.695 1.00 0.00 C ATOM 1887 CD GLU B 10 -10.127 1.244 11.565 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -10.583 2.375 11.833 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -10.842 0.288 11.196 1.00 0.00 O ATOM 0 H GLU B 10 -6.527 3.687 9.168 1.00 0.00 H new ATOM 0 HA GLU B 10 -7.243 0.826 9.437 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -6.883 2.243 11.599 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -8.361 3.066 11.143 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -8.373 0.065 11.235 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -8.372 0.945 12.750 1.00 0.00 H new ATOM 1896 N LEU B 11 -9.042 1.287 7.797 1.00 0.00 N ATOM 1897 CA LEU B 11 -10.191 1.464 6.915 1.00 0.00 C ATOM 1898 C LEU B 11 -11.499 1.281 7.680 1.00 0.00 C ATOM 1899 O LEU B 11 -11.502 0.826 8.824 1.00 0.00 O ATOM 1900 CB LEU B 11 -10.124 0.473 5.753 1.00 0.00 C ATOM 1901 CG LEU B 11 -9.045 0.740 4.703 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -7.795 1.312 5.357 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.715 -0.533 3.940 1.00 0.00 C ATOM 0 H LEU B 11 -8.517 0.427 7.638 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.162 2.480 6.520 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.966 -0.525 6.162 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.093 0.463 5.254 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.429 1.474 3.994 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.037 1.496 4.595 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.042 2.249 5.857 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.409 0.601 6.088 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.945 -0.323 3.197 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.352 -1.290 4.635 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.611 -0.900 3.440 1.00 0.00 H new ATOM 1915 N ASN B 12 -12.607 1.635 7.039 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.922 1.508 7.659 1.00 0.00 C ATOM 1917 C ASN B 12 -14.760 0.453 6.943 1.00 0.00 C ATOM 1918 O ASN B 12 -14.731 0.348 5.717 1.00 0.00 O ATOM 1919 CB ASN B 12 -14.650 2.853 7.640 1.00 0.00 C ATOM 1920 CG ASN B 12 -16.005 2.787 8.318 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -16.868 2.001 7.927 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -16.196 3.614 9.338 1.00 0.00 N ATOM 0 H ASN B 12 -12.622 2.012 6.091 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.780 1.194 8.693 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -14.035 3.603 8.137 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.779 3.179 6.608 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.088 3.615 9.833 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -15.451 4.248 9.627 1.00 0.00 H new