USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 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 10 HIS : no HD1:sc= -0.0973 K(o=-7.4,f=-8.2) USER MOD Set 1.2: A 40 LYS NZ :NH3+ 164:sc= 0.83 (180deg=0) USER MOD Set 1.3: A 113 SER OG : rot 151:sc= -1.43 USER MOD Set 1.4: A 117 GLN :FLIP amide:sc= -6.68! C(o=-9.9!,f=-7.4!) USER MOD Set 2.1: A 45 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -1.21 X(o=-1.2,f=-1.3) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -136:sc= -5.74! (180deg=-9.45!) USER MOD Single : A 47 TYR OH : rot 136:sc= 0.226 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= -1.25 (180deg=-3.24!) USER MOD Single : A 53 TYR OH : rot 131:sc= 0.173 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 60 THR OG1 : rot -162:sc= -2.26 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.106 K(o=-0.11,f=-5.3!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -3.01! C(o=-3!,f=-10!) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.332 F(o=-1.2,f=-0.33) USER MOD Single : A 102 HIS : no HD1:sc= -1.1 X(o=-1.1,f=-1.1) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 167:sc= -0.0785 (180deg=-0.236) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 112 THR OG1 : rot -89:sc= -0.699 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -39:sc= 0.307 USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 0.517 -0.579 -14.600 1.00 0.00 N ATOM 89 CA HIS A 10 1.875 -0.127 -14.885 1.00 0.00 C ATOM 90 C HIS A 10 2.878 -0.956 -14.118 1.00 0.00 C ATOM 91 O HIS A 10 2.621 -1.363 -12.970 1.00 0.00 O ATOM 92 CB HIS A 10 1.936 1.353 -14.463 1.00 0.00 C ATOM 93 CG HIS A 10 3.007 2.104 -15.199 1.00 0.00 C ATOM 94 ND1 HIS A 10 2.848 2.775 -16.409 1.00 0.00 N ATOM 95 CD2 HIS A 10 4.310 2.203 -14.729 1.00 0.00 C ATOM 96 CE1 HIS A 10 4.102 3.234 -16.583 1.00 0.00 C ATOM 97 NE2 HIS A 10 5.030 2.943 -15.631 1.00 0.00 N ATOM 0 HA HIS A 10 2.120 -0.238 -15.941 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.970 1.823 -14.649 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.120 1.417 -13.391 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.689 1.773 -13.814 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.364 3.817 -17.454 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.014 3.209 -15.597 1.00 0.00 H new ATOM 105 N GLU A 11 4.018 -1.256 -14.712 1.00 0.00 N ATOM 106 CA GLU A 11 4.976 -2.178 -14.097 1.00 0.00 C ATOM 107 C GLU A 11 6.385 -1.629 -14.131 1.00 0.00 C ATOM 108 O GLU A 11 6.908 -1.194 -15.161 1.00 0.00 O ATOM 109 CB GLU A 11 4.882 -3.541 -14.838 1.00 0.00 C ATOM 110 CG GLU A 11 5.849 -3.791 -16.041 1.00 0.00 C ATOM 111 CD GLU A 11 5.392 -3.364 -17.439 1.00 0.00 C ATOM 112 OE1 GLU A 11 4.643 -4.041 -18.131 1.00 0.00 O ATOM 113 OE2 GLU A 11 5.896 -2.163 -17.837 1.00 0.00 O ATOM 0 H GLU A 11 4.309 -0.881 -15.615 1.00 0.00 H new ATOM 0 HA GLU A 11 4.727 -2.310 -13.044 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.049 -4.331 -14.106 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.861 -3.654 -15.202 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.787 -3.278 -15.826 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.070 -4.858 -16.074 1.00 0.00 H new ATOM 120 N GLY A 12 7.033 -1.665 -12.976 1.00 0.00 N ATOM 121 CA GLY A 12 8.442 -1.310 -12.845 1.00 0.00 C ATOM 122 C GLY A 12 9.048 -1.962 -11.624 1.00 0.00 C ATOM 123 O GLY A 12 8.437 -2.831 -10.984 1.00 0.00 O ATOM 0 H GLY A 12 6.595 -1.943 -12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.985 -1.623 -13.737 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.544 -0.227 -12.773 1.00 0.00 H new ATOM 127 N TYR A 13 10.251 -1.557 -11.263 1.00 0.00 N ATOM 128 CA TYR A 13 10.878 -2.008 -10.023 1.00 0.00 C ATOM 129 C TYR A 13 11.254 -0.830 -9.152 1.00 0.00 C ATOM 130 O TYR A 13 12.014 0.063 -9.542 1.00 0.00 O ATOM 131 CB TYR A 13 12.162 -2.839 -10.322 1.00 0.00 C ATOM 132 CG TYR A 13 13.511 -2.115 -10.315 1.00 0.00 C ATOM 133 CD1 TYR A 13 13.978 -1.466 -11.463 1.00 0.00 C ATOM 134 CD2 TYR A 13 14.288 -2.101 -9.152 1.00 0.00 C ATOM 135 CE1 TYR A 13 15.208 -0.811 -11.444 1.00 0.00 C ATOM 136 CE2 TYR A 13 15.506 -1.428 -9.130 1.00 0.00 C ATOM 137 CZ TYR A 13 15.981 -0.816 -10.286 1.00 0.00 C ATOM 138 OH TYR A 13 17.209 -0.216 -10.286 1.00 0.00 O ATOM 0 H TYR A 13 10.821 -0.913 -11.811 1.00 0.00 H new ATOM 0 HA TYR A 13 10.154 -2.632 -9.500 1.00 0.00 H new ATOM 0 HB2 TYR A 13 12.214 -3.646 -9.591 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.038 -3.302 -11.301 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.384 -1.473 -12.365 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.941 -2.615 -8.267 1.00 0.00 H new ATOM 0 HE1 TYR A 13 15.561 -0.300 -12.327 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.082 -1.381 -8.217 1.00 0.00 H new ATOM 0 HH TYR A 13 17.618 -0.308 -9.400 1.00 0.00 H new ATOM 148 N VAL A 14 10.699 -0.797 -7.952 1.00 0.00 N ATOM 149 CA VAL A 14 10.858 0.348 -7.059 1.00 0.00 C ATOM 150 C VAL A 14 10.505 -0.009 -5.634 1.00 0.00 C ATOM 151 O VAL A 14 10.452 -1.178 -5.240 1.00 0.00 O ATOM 152 CB VAL A 14 9.950 1.552 -7.539 1.00 0.00 C ATOM 153 CG1 VAL A 14 9.936 1.854 -9.062 1.00 0.00 C ATOM 154 CG2 VAL A 14 8.461 1.406 -7.138 1.00 0.00 C ATOM 0 H VAL A 14 10.131 -1.552 -7.569 1.00 0.00 H new ATOM 0 HA VAL A 14 11.906 0.645 -7.092 1.00 0.00 H new ATOM 0 HB VAL A 14 10.443 2.373 -7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.277 2.700 -9.259 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.946 2.096 -9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.576 0.979 -9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.900 2.268 -7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.053 0.496 -7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.380 1.351 -6.052 1.00 0.00 H new ATOM 164 N THR A 15 10.235 1.023 -4.848 1.00 0.00 N ATOM 165 CA THR A 15 9.722 0.833 -3.493 1.00 0.00 C ATOM 166 C THR A 15 8.221 1.008 -3.464 1.00 0.00 C ATOM 167 O THR A 15 7.697 2.113 -3.647 1.00 0.00 O ATOM 168 CB THR A 15 10.416 1.812 -2.486 1.00 0.00 C ATOM 169 OG1 THR A 15 11.761 2.058 -2.876 1.00 0.00 O ATOM 170 CG2 THR A 15 10.519 1.329 -1.024 1.00 0.00 C ATOM 0 H THR A 15 10.361 1.998 -5.121 1.00 0.00 H new ATOM 0 HA THR A 15 9.955 -0.186 -3.183 1.00 0.00 H new ATOM 0 HB THR A 15 9.765 2.686 -2.521 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.180 2.673 -2.238 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.017 2.090 -0.424 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.519 1.152 -0.628 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.094 0.404 -0.986 1.00 0.00 H new ATOM 178 N ARG A 16 7.503 -0.069 -3.211 1.00 0.00 N ATOM 179 CA ARG A 16 6.046 -0.083 -3.307 1.00 0.00 C ATOM 180 C ARG A 16 5.435 -0.857 -2.161 1.00 0.00 C ATOM 181 O ARG A 16 6.000 -1.856 -1.685 1.00 0.00 O ATOM 182 CB ARG A 16 5.642 -0.693 -4.678 1.00 0.00 C ATOM 183 CG ARG A 16 4.828 0.237 -5.615 1.00 0.00 C ATOM 184 CD ARG A 16 4.601 -0.387 -7.002 1.00 0.00 C ATOM 185 NE ARG A 16 3.335 -1.161 -6.954 1.00 0.00 N ATOM 186 CZ ARG A 16 2.333 -1.085 -7.819 1.00 0.00 C ATOM 187 NH1 ARG A 16 2.354 -0.374 -8.906 1.00 0.00 N ATOM 188 NH2 ARG A 16 1.271 -1.764 -7.559 1.00 0.00 N ATOM 0 H ARG A 16 7.908 -0.963 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 16 5.666 0.936 -3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.549 -1.000 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.058 -1.595 -4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.864 0.458 -5.156 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.353 1.186 -5.727 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.544 0.390 -7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.435 -1.036 -7.269 1.00 0.00 H new ATOM 0 HE ARG A 16 3.225 -1.816 -6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.181 0.175 -9.140 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.543 -0.365 -9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.223 -2.333 -6.714 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.477 -1.733 -8.198 1.00 0.00 H new ATOM 202 N LYS A 17 4.292 -0.418 -1.671 1.00 0.00 N ATOM 203 CA LYS A 17 3.530 -1.160 -0.668 1.00 0.00 C ATOM 204 C LYS A 17 2.186 -1.577 -1.216 1.00 0.00 C ATOM 205 O LYS A 17 1.726 -1.065 -2.251 1.00 0.00 O ATOM 206 CB LYS A 17 3.365 -0.289 0.608 1.00 0.00 C ATOM 207 CG LYS A 17 2.335 -0.855 1.617 1.00 0.00 C ATOM 208 CD LYS A 17 2.944 -1.504 2.863 1.00 0.00 C ATOM 209 CE LYS A 17 2.433 -2.946 2.985 1.00 0.00 C ATOM 210 NZ LYS A 17 2.317 -3.307 4.409 1.00 0.00 N ATOM 0 H LYS A 17 3.860 0.462 -1.953 1.00 0.00 H new ATOM 0 HA LYS A 17 4.074 -2.068 -0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.332 -0.197 1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.060 0.716 0.315 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.675 -0.047 1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.716 -1.593 1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.032 -1.496 2.796 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.675 -0.934 3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.465 -3.043 2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.116 -3.629 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.971 -4.284 4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.249 -3.230 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.649 -2.662 4.877 1.00 0.00 H new ATOM 224 N HIS A 18 1.525 -2.512 -0.560 1.00 0.00 N ATOM 225 CA HIS A 18 0.287 -3.088 -1.082 1.00 0.00 C ATOM 226 C HIS A 18 -0.596 -3.621 0.022 1.00 0.00 C ATOM 227 O HIS A 18 -1.323 -4.613 -0.165 1.00 0.00 O ATOM 228 CB HIS A 18 0.712 -4.236 -2.015 1.00 0.00 C ATOM 229 CG HIS A 18 1.560 -5.254 -1.308 1.00 0.00 C ATOM 230 ND1 HIS A 18 2.868 -5.060 -0.872 1.00 0.00 N ATOM 231 CD2 HIS A 18 1.107 -6.531 -1.008 1.00 0.00 C ATOM 232 CE1 HIS A 18 3.107 -6.266 -0.321 1.00 0.00 C ATOM 233 NE2 HIS A 18 2.117 -7.198 -0.363 1.00 0.00 N ATOM 0 H HIS A 18 1.821 -2.894 0.338 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.295 -2.327 -1.602 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.176 -4.722 -2.419 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.265 -3.829 -2.861 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.131 -6.930 -1.241 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.058 -6.487 0.141 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.124 -8.153 -0.005 1.00 0.00 H new ATOM 445 N TRP A 32 6.934 -0.781 3.964 1.00 0.00 N ATOM 446 CA TRP A 32 6.987 -0.918 2.511 1.00 0.00 C ATOM 447 C TRP A 32 8.032 -1.930 2.105 1.00 0.00 C ATOM 448 O TRP A 32 8.786 -2.458 2.940 1.00 0.00 O ATOM 449 CB TRP A 32 7.322 0.462 1.876 1.00 0.00 C ATOM 450 CG TRP A 32 6.381 1.620 2.239 1.00 0.00 C ATOM 451 CD1 TRP A 32 5.693 1.791 3.457 1.00 0.00 C ATOM 452 CD2 TRP A 32 6.107 2.750 1.491 1.00 0.00 C ATOM 453 NE1 TRP A 32 4.996 3.015 3.495 1.00 0.00 N ATOM 454 CE2 TRP A 32 5.267 3.590 2.264 1.00 0.00 C ATOM 455 CE3 TRP A 32 6.506 3.137 0.185 1.00 0.00 C ATOM 456 CZ2 TRP A 32 4.824 4.825 1.740 1.00 0.00 C ATOM 457 CZ3 TRP A 32 6.064 4.365 -0.308 1.00 0.00 C ATOM 458 CH2 TRP A 32 5.237 5.199 0.459 1.00 0.00 C ATOM 0 HA TRP A 32 6.016 -1.265 2.157 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.335 0.738 2.170 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.324 0.349 0.792 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.699 1.072 4.263 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.425 3.390 4.252 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.137 2.496 -0.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.178 5.468 2.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.364 4.679 -1.297 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.914 6.146 0.052 1.00 0.00 H new ATOM 469 N ASP A 33 8.121 -2.221 0.820 1.00 0.00 N ATOM 470 CA ASP A 33 9.041 -3.247 0.328 1.00 0.00 C ATOM 471 C ASP A 33 9.404 -3.022 -1.122 1.00 0.00 C ATOM 472 O ASP A 33 8.597 -2.560 -1.937 1.00 0.00 O ATOM 473 CB ASP A 33 8.436 -4.657 0.555 1.00 0.00 C ATOM 474 CG ASP A 33 6.932 -4.729 0.854 1.00 0.00 C ATOM 475 OD1 ASP A 33 6.110 -3.996 0.325 1.00 0.00 O ATOM 476 OD2 ASP A 33 6.617 -5.711 1.752 1.00 0.00 O ATOM 0 H ASP A 33 7.570 -1.765 0.093 1.00 0.00 H new ATOM 0 HA ASP A 33 9.969 -3.177 0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.634 -5.258 -0.333 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.969 -5.125 1.383 1.00 0.00 H new ATOM 481 N LYS A 34 10.630 -3.370 -1.469 1.00 0.00 N ATOM 482 CA LYS A 34 11.091 -3.349 -2.854 1.00 0.00 C ATOM 483 C LYS A 34 10.559 -4.539 -3.617 1.00 0.00 C ATOM 484 O LYS A 34 10.562 -5.677 -3.122 1.00 0.00 O ATOM 485 CB LYS A 34 12.644 -3.322 -2.881 1.00 0.00 C ATOM 486 CG LYS A 34 13.229 -2.081 -3.602 1.00 0.00 C ATOM 487 CD LYS A 34 14.599 -2.300 -4.250 1.00 0.00 C ATOM 488 CE LYS A 34 15.672 -1.589 -3.415 1.00 0.00 C ATOM 489 NZ LYS A 34 17.008 -1.997 -3.885 1.00 0.00 N ATOM 0 H LYS A 34 11.338 -3.676 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 34 10.712 -2.451 -3.342 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.018 -3.347 -1.857 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.007 -4.224 -3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.526 -1.761 -4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.309 -1.265 -2.883 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.818 -3.366 -4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.599 -1.913 -5.269 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.558 -0.508 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.553 -1.839 -2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.737 -1.516 -3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.113 -3.026 -3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.118 -1.737 -4.886 1.00 0.00 H new ATOM 503 N VAL A 35 10.112 -4.317 -4.840 1.00 0.00 N ATOM 504 CA VAL A 35 9.448 -5.368 -5.610 1.00 0.00 C ATOM 505 C VAL A 35 9.358 -5.021 -7.079 1.00 0.00 C ATOM 506 O VAL A 35 9.586 -3.888 -7.515 1.00 0.00 O ATOM 507 CB VAL A 35 8.005 -5.627 -5.018 1.00 0.00 C ATOM 508 CG1 VAL A 35 7.921 -6.599 -3.809 1.00 0.00 C ATOM 509 CG2 VAL A 35 7.274 -4.342 -4.560 1.00 0.00 C ATOM 0 H VAL A 35 10.193 -3.423 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 35 10.047 -6.275 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 35 7.527 -6.083 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.883 -6.697 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.305 -7.577 -4.101 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.517 -6.207 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.292 -4.603 -4.166 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.857 -3.849 -3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.158 -3.668 -5.408 1.00 0.00 H new ATOM 519 N TYR A 36 9.034 -6.028 -7.874 1.00 0.00 N ATOM 520 CA TYR A 36 8.750 -5.855 -9.295 1.00 0.00 C ATOM 521 C TYR A 36 7.264 -5.974 -9.550 1.00 0.00 C ATOM 522 O TYR A 36 6.707 -7.049 -9.821 1.00 0.00 O ATOM 523 CB TYR A 36 9.484 -6.929 -10.150 1.00 0.00 C ATOM 524 CG TYR A 36 10.010 -6.484 -11.519 1.00 0.00 C ATOM 525 CD1 TYR A 36 9.113 -6.060 -12.505 1.00 0.00 C ATOM 526 CD2 TYR A 36 11.380 -6.504 -11.797 1.00 0.00 C ATOM 527 CE1 TYR A 36 9.579 -5.677 -13.759 1.00 0.00 C ATOM 528 CE2 TYR A 36 11.844 -6.116 -13.051 1.00 0.00 C ATOM 529 CZ TYR A 36 10.945 -5.696 -14.027 1.00 0.00 C ATOM 530 OH TYR A 36 11.406 -5.302 -15.252 1.00 0.00 O ATOM 0 H TYR A 36 8.959 -6.993 -7.553 1.00 0.00 H new ATOM 0 HA TYR A 36 9.103 -4.864 -9.581 1.00 0.00 H new ATOM 0 HB2 TYR A 36 10.326 -7.308 -9.570 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.801 -7.765 -10.304 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.055 -6.030 -12.292 1.00 0.00 H new ATOM 0 HD2 TYR A 36 12.080 -6.821 -11.038 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.882 -5.366 -14.523 1.00 0.00 H new ATOM 0 HE2 TYR A 36 12.902 -6.141 -13.267 1.00 0.00 H new ATOM 0 HH TYR A 36 12.383 -5.375 -15.273 1.00 0.00 H new ATOM 540 N MET A 37 6.575 -4.850 -9.442 1.00 0.00 N ATOM 541 CA MET A 37 5.116 -4.843 -9.504 1.00 0.00 C ATOM 542 C MET A 37 4.607 -4.721 -10.923 1.00 0.00 C ATOM 543 O MET A 37 5.247 -4.174 -11.825 1.00 0.00 O ATOM 544 CB MET A 37 4.554 -3.693 -8.621 1.00 0.00 C ATOM 545 CG MET A 37 5.036 -3.764 -7.140 1.00 0.00 C ATOM 546 SD MET A 37 4.179 -5.104 -6.302 1.00 0.00 S ATOM 547 CE MET A 37 4.195 -4.460 -4.625 1.00 0.00 C ATOM 0 H MET A 37 6.998 -3.931 -9.311 1.00 0.00 H new ATOM 0 HA MET A 37 4.763 -5.800 -9.119 1.00 0.00 H new ATOM 0 HB2 MET A 37 4.854 -2.736 -9.048 1.00 0.00 H new ATOM 0 HB3 MET A 37 3.465 -3.725 -8.644 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.113 -3.926 -7.103 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.839 -2.818 -6.635 1.00 0.00 H new ATOM 0 HE1 MET A 37 4.464 -5.257 -3.932 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.925 -3.653 -4.552 1.00 0.00 H new ATOM 0 HE3 MET A 37 3.206 -4.078 -4.372 1.00 0.00 H new ATOM 557 N ALA A 38 3.399 -5.230 -11.118 1.00 0.00 N ATOM 558 CA ALA A 38 2.671 -5.091 -12.375 1.00 0.00 C ATOM 559 C ALA A 38 1.213 -4.790 -12.093 1.00 0.00 C ATOM 560 O ALA A 38 0.290 -5.567 -12.354 1.00 0.00 O ATOM 561 CB ALA A 38 2.877 -6.372 -13.200 1.00 0.00 C ATOM 0 H ALA A 38 2.892 -5.755 -10.405 1.00 0.00 H new ATOM 0 HA ALA A 38 3.049 -4.254 -12.961 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.340 -6.287 -14.144 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.940 -6.510 -13.398 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.498 -7.229 -12.643 1.00 0.00 H new ATOM 567 N ALA A 39 0.993 -3.621 -11.514 1.00 0.00 N ATOM 568 CA ALA A 39 -0.301 -3.188 -11.003 1.00 0.00 C ATOM 569 C ALA A 39 -0.436 -1.686 -11.083 1.00 0.00 C ATOM 570 O ALA A 39 0.534 -0.977 -11.441 1.00 0.00 O ATOM 571 CB ALA A 39 -0.413 -3.700 -9.556 1.00 0.00 C ATOM 0 H ALA A 39 1.729 -2.927 -11.382 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.114 -3.596 -11.604 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.371 -3.396 -9.136 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.342 -4.788 -9.548 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.395 -3.280 -8.958 1.00 0.00 H new ATOM 577 N LYS A 40 -1.601 -1.122 -10.831 1.00 0.00 N ATOM 578 CA LYS A 40 -1.727 0.329 -10.651 1.00 0.00 C ATOM 579 C LYS A 40 -3.114 0.680 -10.167 1.00 0.00 C ATOM 580 O LYS A 40 -3.322 1.582 -9.350 1.00 0.00 O ATOM 581 CB LYS A 40 -1.392 1.094 -11.962 1.00 0.00 C ATOM 582 CG LYS A 40 -2.337 0.807 -13.149 1.00 0.00 C ATOM 583 CD LYS A 40 -1.927 1.498 -14.456 1.00 0.00 C ATOM 584 CE LYS A 40 -3.034 1.299 -15.499 1.00 0.00 C ATOM 585 NZ LYS A 40 -2.447 0.763 -16.742 1.00 0.00 N ATOM 0 H LYS A 40 -2.478 -1.636 -10.745 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.005 0.638 -9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.410 2.164 -11.754 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.374 0.844 -12.260 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.377 -0.269 -13.316 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.345 1.125 -12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.761 2.561 -14.283 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.987 1.084 -14.821 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.790 0.614 -15.116 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.534 2.246 -15.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.202 0.376 -17.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.955 1.525 -17.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.770 0.009 -16.509 1.00 0.00 H new ATOM 599 N ALA A 41 -4.099 -0.022 -10.697 1.00 0.00 N ATOM 600 CA ALA A 41 -5.479 0.132 -10.245 1.00 0.00 C ATOM 601 C ALA A 41 -6.363 -0.931 -10.862 1.00 0.00 C ATOM 602 O ALA A 41 -6.995 -1.738 -10.178 1.00 0.00 O ATOM 603 CB ALA A 41 -5.927 1.567 -10.581 1.00 0.00 C ATOM 0 H ALA A 41 -3.974 -0.707 -11.442 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.560 -0.011 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.957 1.713 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.280 2.279 -10.069 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.862 1.726 -11.657 1.00 0.00 H new ATOM 609 N GLY A 42 -6.363 -0.950 -12.189 1.00 0.00 N ATOM 610 CA GLY A 42 -7.268 -1.792 -12.969 1.00 0.00 C ATOM 611 C GLY A 42 -7.219 -3.207 -12.399 1.00 0.00 C ATOM 612 O GLY A 42 -8.222 -3.902 -12.223 1.00 0.00 O ATOM 0 H GLY A 42 -5.735 -0.382 -12.758 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.284 -1.400 -12.924 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.973 -1.795 -14.018 1.00 0.00 H new ATOM 616 N ARG A 43 -5.998 -3.633 -12.137 1.00 0.00 N ATOM 617 CA ARG A 43 -5.726 -4.867 -11.414 1.00 0.00 C ATOM 618 C ARG A 43 -4.323 -4.865 -10.853 1.00 0.00 C ATOM 619 O ARG A 43 -3.561 -3.903 -11.007 1.00 0.00 O ATOM 620 CB ARG A 43 -5.933 -6.070 -12.374 1.00 0.00 C ATOM 621 CG ARG A 43 -7.399 -6.555 -12.521 1.00 0.00 C ATOM 622 CD ARG A 43 -7.552 -7.665 -13.569 1.00 0.00 C ATOM 623 NE ARG A 43 -6.588 -8.751 -13.257 1.00 0.00 N ATOM 624 CZ ARG A 43 -6.858 -9.840 -12.549 1.00 0.00 C ATOM 625 NH1 ARG A 43 -8.016 -10.103 -12.021 1.00 0.00 N ATOM 626 NH2 ARG A 43 -5.906 -10.688 -12.378 1.00 0.00 N ATOM 0 H ARG A 43 -5.158 -3.130 -12.421 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.414 -4.951 -10.573 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.558 -5.796 -13.360 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.325 -6.904 -12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.756 -6.919 -11.557 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.031 -5.711 -12.797 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.571 -8.052 -13.564 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.366 -7.270 -14.568 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.639 -8.651 -13.617 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.791 -9.450 -12.140 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.150 -10.962 -11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -4.986 -10.510 -12.780 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.071 -11.539 -11.840 1.00 0.00 H new ATOM 640 N ILE A 44 -3.947 -5.960 -10.222 1.00 0.00 N ATOM 641 CA ILE A 44 -2.638 -6.079 -9.589 1.00 0.00 C ATOM 642 C ILE A 44 -2.024 -7.431 -9.862 1.00 0.00 C ATOM 643 O ILE A 44 -2.698 -8.469 -9.825 1.00 0.00 O ATOM 644 CB ILE A 44 -2.713 -5.798 -8.028 1.00 0.00 C ATOM 645 CG1 ILE A 44 -2.494 -4.315 -7.574 1.00 0.00 C ATOM 646 CG2 ILE A 44 -1.714 -6.687 -7.222 1.00 0.00 C ATOM 647 CD1 ILE A 44 -3.177 -3.206 -8.398 1.00 0.00 C ATOM 0 H ILE A 44 -4.532 -6.790 -10.131 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.995 -5.317 -10.030 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.750 -6.049 -7.806 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.836 -4.226 -6.543 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.422 -4.120 -7.572 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.801 -6.460 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.947 -7.739 -7.389 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.696 -6.484 -7.554 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.937 -2.233 -7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.821 -3.246 -9.427 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.257 -3.354 -8.382 1.00 0.00 H new ATOM 659 N SER A 45 -0.730 -7.442 -10.114 1.00 0.00 N ATOM 660 CA SER A 45 0.037 -8.679 -10.237 1.00 0.00 C ATOM 661 C SER A 45 1.424 -8.489 -9.665 1.00 0.00 C ATOM 662 O SER A 45 2.320 -7.927 -10.304 1.00 0.00 O ATOM 663 CB SER A 45 0.079 -9.176 -11.703 1.00 0.00 C ATOM 664 OG SER A 45 -0.936 -10.146 -11.989 1.00 0.00 O ATOM 0 H SER A 45 -0.174 -6.596 -10.240 1.00 0.00 H new ATOM 0 HA SER A 45 -0.463 -9.456 -9.659 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.039 -8.325 -12.374 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.058 -9.610 -11.907 1.00 0.00 H new ATOM 0 HG SER A 45 -0.867 -10.425 -12.926 1.00 0.00 H new ATOM 670 N PHE A 46 1.626 -8.976 -8.457 1.00 0.00 N ATOM 671 CA PHE A 46 2.860 -8.712 -7.716 1.00 0.00 C ATOM 672 C PHE A 46 3.939 -9.756 -7.922 1.00 0.00 C ATOM 673 O PHE A 46 3.656 -10.951 -8.062 1.00 0.00 O ATOM 674 CB PHE A 46 2.533 -8.678 -6.187 1.00 0.00 C ATOM 675 CG PHE A 46 1.563 -7.591 -5.697 1.00 0.00 C ATOM 676 CD1 PHE A 46 1.317 -6.445 -6.456 1.00 0.00 C ATOM 677 CD2 PHE A 46 0.916 -7.752 -4.464 1.00 0.00 C ATOM 678 CE1 PHE A 46 0.520 -5.425 -5.942 1.00 0.00 C ATOM 679 CE2 PHE A 46 0.043 -6.774 -3.997 1.00 0.00 C ATOM 680 CZ PHE A 46 -0.117 -5.590 -4.713 1.00 0.00 C ATOM 0 H PHE A 46 0.954 -9.560 -7.959 1.00 0.00 H new ATOM 0 HA PHE A 46 3.241 -7.762 -8.092 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.121 -9.648 -5.909 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.471 -8.562 -5.644 1.00 0.00 H new ATOM 0 HD1 PHE A 46 1.745 -6.349 -7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.096 -8.639 -3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.395 -4.506 -6.496 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.509 -6.933 -3.082 1.00 0.00 H new ATOM 0 HZ PHE A 46 -0.735 -4.799 -4.316 1.00 0.00 H new ATOM 690 N TYR A 47 5.185 -9.324 -7.974 1.00 0.00 N ATOM 691 CA TYR A 47 6.333 -10.227 -7.966 1.00 0.00 C ATOM 692 C TYR A 47 7.581 -9.492 -7.527 1.00 0.00 C ATOM 693 O TYR A 47 7.742 -8.288 -7.791 1.00 0.00 O ATOM 694 CB TYR A 47 6.585 -10.838 -9.376 1.00 0.00 C ATOM 695 CG TYR A 47 6.558 -9.886 -10.580 1.00 0.00 C ATOM 696 CD1 TYR A 47 5.362 -9.265 -10.952 1.00 0.00 C ATOM 697 CD2 TYR A 47 7.720 -9.645 -11.319 1.00 0.00 C ATOM 698 CE1 TYR A 47 5.308 -8.485 -12.104 1.00 0.00 C ATOM 699 CE2 TYR A 47 7.677 -8.811 -12.434 1.00 0.00 C ATOM 700 CZ TYR A 47 6.470 -8.243 -12.833 1.00 0.00 C ATOM 701 OH TYR A 47 6.428 -7.446 -13.942 1.00 0.00 O ATOM 0 H TYR A 47 5.436 -8.337 -8.023 1.00 0.00 H new ATOM 0 HA TYR A 47 6.107 -11.030 -7.265 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.557 -11.331 -9.359 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.838 -11.613 -9.544 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.478 -9.391 -10.344 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.652 -10.106 -11.025 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.367 -8.068 -12.432 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.580 -8.605 -12.989 1.00 0.00 H new ATOM 0 HH TYR A 47 7.189 -6.829 -13.930 1.00 0.00 H new ATOM 711 N LYS A 48 8.480 -10.160 -6.827 1.00 0.00 N ATOM 712 CA LYS A 48 9.776 -9.573 -6.483 1.00 0.00 C ATOM 713 C LYS A 48 10.768 -9.774 -7.606 1.00 0.00 C ATOM 714 O LYS A 48 11.605 -8.923 -7.924 1.00 0.00 O ATOM 715 CB LYS A 48 10.301 -10.188 -5.157 1.00 0.00 C ATOM 716 CG LYS A 48 10.420 -9.156 -4.007 1.00 0.00 C ATOM 717 CD LYS A 48 11.622 -9.356 -3.079 1.00 0.00 C ATOM 718 CE LYS A 48 11.171 -9.176 -1.623 1.00 0.00 C ATOM 719 NZ LYS A 48 12.014 -8.158 -0.971 1.00 0.00 N ATOM 0 H LYS A 48 8.343 -11.110 -6.482 1.00 0.00 H new ATOM 0 HA LYS A 48 9.650 -8.500 -6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.632 -10.991 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.278 -10.638 -5.335 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.477 -8.157 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.509 -9.193 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 48 12.045 -10.351 -3.221 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.406 -8.639 -3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 48 10.125 -8.873 -1.590 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.246 -10.123 -1.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.709 -8.035 0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.007 -8.465 -0.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.921 -7.254 -1.477 1.00 0.00 H new ATOM 733 N ASP A 49 10.661 -10.924 -8.248 1.00 0.00 N ATOM 734 CA ASP A 49 11.428 -11.245 -9.446 1.00 0.00 C ATOM 735 C ASP A 49 10.719 -12.301 -10.263 1.00 0.00 C ATOM 736 O ASP A 49 9.502 -12.500 -10.145 1.00 0.00 O ATOM 737 CB ASP A 49 12.871 -11.672 -9.069 1.00 0.00 C ATOM 738 CG ASP A 49 13.514 -10.967 -7.865 1.00 0.00 C ATOM 739 OD1 ASP A 49 13.389 -11.361 -6.715 1.00 0.00 O ATOM 740 OD2 ASP A 49 14.253 -9.874 -8.224 1.00 0.00 O ATOM 0 H ASP A 49 10.033 -11.671 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 49 11.505 -10.352 -10.067 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.867 -12.744 -8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.510 -11.511 -9.937 1.00 0.00 H new ATOM 745 N GLN A 50 11.456 -12.979 -11.121 1.00 0.00 N ATOM 746 CA GLN A 50 10.928 -14.120 -11.863 1.00 0.00 C ATOM 747 C GLN A 50 11.153 -15.407 -11.104 1.00 0.00 C ATOM 748 O GLN A 50 11.782 -16.349 -11.598 1.00 0.00 O ATOM 749 CB GLN A 50 11.610 -14.167 -13.247 1.00 0.00 C ATOM 750 CG GLN A 50 11.699 -12.808 -14.019 1.00 0.00 C ATOM 751 CD GLN A 50 12.655 -12.687 -15.212 1.00 0.00 C ATOM 752 OE1 GLN A 50 12.797 -13.606 -16.002 1.00 0.00 O ATOM 753 NE2 GLN A 50 13.353 -11.593 -15.382 1.00 0.00 N ATOM 0 H GLN A 50 12.431 -12.761 -11.326 1.00 0.00 H new ATOM 0 HA GLN A 50 9.852 -14.006 -11.992 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.620 -14.555 -13.118 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.072 -14.881 -13.870 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.698 -12.567 -14.375 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.975 -12.038 -13.298 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.247 -10.814 -14.732 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.003 -11.519 -16.165 1.00 0.00 H new ATOM 762 N LYS A 51 10.617 -15.479 -9.896 1.00 0.00 N ATOM 763 CA LYS A 51 10.869 -16.593 -8.983 1.00 0.00 C ATOM 764 C LYS A 51 9.646 -17.469 -8.855 1.00 0.00 C ATOM 765 O LYS A 51 9.663 -18.664 -9.210 1.00 0.00 O ATOM 766 CB LYS A 51 11.311 -16.056 -7.592 1.00 0.00 C ATOM 767 CG LYS A 51 10.578 -14.797 -7.074 1.00 0.00 C ATOM 768 CD LYS A 51 9.887 -14.958 -5.714 1.00 0.00 C ATOM 769 CE LYS A 51 10.956 -15.145 -4.629 1.00 0.00 C ATOM 770 NZ LYS A 51 11.307 -16.573 -4.524 1.00 0.00 N ATOM 0 H LYS A 51 9.993 -14.767 -9.516 1.00 0.00 H new ATOM 0 HA LYS A 51 11.675 -17.201 -9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.178 -16.853 -6.861 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.378 -15.837 -7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.297 -13.980 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.831 -14.502 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.278 -14.081 -5.495 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.215 -15.816 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.842 -14.559 -4.872 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.585 -14.780 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.495 -16.812 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.517 -17.151 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.156 -16.764 -5.093 1.00 0.00 H new ATOM 784 N GLY A 52 8.568 -16.929 -8.323 1.00 0.00 N ATOM 785 CA GLY A 52 7.284 -17.655 -8.318 1.00 0.00 C ATOM 786 C GLY A 52 6.911 -17.936 -9.772 1.00 0.00 C ATOM 787 O GLY A 52 6.443 -19.012 -10.149 1.00 0.00 O ATOM 0 H GLY A 52 8.539 -16.005 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.372 -18.586 -7.758 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.510 -17.062 -7.831 1.00 0.00 H new ATOM 791 N TYR A 53 7.165 -16.932 -10.598 1.00 0.00 N ATOM 792 CA TYR A 53 7.017 -17.052 -12.044 1.00 0.00 C ATOM 793 C TYR A 53 7.896 -18.157 -12.587 1.00 0.00 C ATOM 794 O TYR A 53 7.465 -18.966 -13.422 1.00 0.00 O ATOM 795 CB TYR A 53 7.418 -15.727 -12.756 1.00 0.00 C ATOM 796 CG TYR A 53 6.371 -14.607 -12.810 1.00 0.00 C ATOM 797 CD1 TYR A 53 5.042 -14.854 -12.451 1.00 0.00 C ATOM 798 CD2 TYR A 53 6.746 -13.328 -13.232 1.00 0.00 C ATOM 799 CE1 TYR A 53 4.104 -13.825 -12.498 1.00 0.00 C ATOM 800 CE2 TYR A 53 5.806 -12.303 -13.281 1.00 0.00 C ATOM 801 CZ TYR A 53 4.490 -12.549 -12.898 1.00 0.00 C ATOM 802 OH TYR A 53 3.574 -11.535 -12.912 1.00 0.00 O ATOM 0 H TYR A 53 7.479 -16.013 -10.288 1.00 0.00 H new ATOM 0 HA TYR A 53 5.969 -17.278 -12.239 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.306 -15.334 -12.260 1.00 0.00 H new ATOM 0 HB3 TYR A 53 7.705 -15.969 -13.779 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.743 -15.843 -12.137 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.769 -13.135 -13.521 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.077 -14.017 -12.224 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.097 -11.318 -13.616 1.00 0.00 H new ATOM 0 HH TYR A 53 3.947 -10.751 -12.458 1.00 0.00 H new ATOM 812 N LYS A 54 9.141 -18.203 -12.154 1.00 0.00 N ATOM 813 CA LYS A 54 10.063 -19.295 -12.467 1.00 0.00 C ATOM 814 C LYS A 54 9.372 -20.640 -12.428 1.00 0.00 C ATOM 815 O LYS A 54 9.500 -21.464 -13.341 1.00 0.00 O ATOM 816 CB LYS A 54 11.249 -19.263 -11.465 1.00 0.00 C ATOM 817 CG LYS A 54 12.655 -19.309 -12.116 1.00 0.00 C ATOM 818 CD LYS A 54 13.794 -18.844 -11.200 1.00 0.00 C ATOM 819 CE LYS A 54 14.941 -18.278 -12.047 1.00 0.00 C ATOM 820 NZ LYS A 54 16.192 -18.325 -11.269 1.00 0.00 N ATOM 0 H LYS A 54 9.553 -17.477 -11.567 1.00 0.00 H new ATOM 0 HA LYS A 54 10.434 -19.155 -13.482 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.173 -18.357 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.152 -20.108 -10.783 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.859 -20.330 -12.439 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.648 -18.687 -13.011 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.430 -18.084 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.152 -19.678 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.049 -18.855 -12.965 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.720 -17.252 -12.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.971 -17.942 -11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.085 -17.756 -10.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.404 -19.310 -11.011 1.00 0.00 H new ATOM 834 N SER A 55 8.621 -20.877 -11.370 1.00 0.00 N ATOM 835 CA SER A 55 7.839 -22.103 -11.234 1.00 0.00 C ATOM 836 C SER A 55 6.430 -21.907 -11.745 1.00 0.00 C ATOM 837 O SER A 55 6.086 -22.272 -12.874 1.00 0.00 O ATOM 838 CB SER A 55 7.848 -22.603 -9.768 1.00 0.00 C ATOM 839 OG SER A 55 9.061 -23.279 -9.417 1.00 0.00 O ATOM 0 H SER A 55 8.532 -20.234 -10.583 1.00 0.00 H new ATOM 0 HA SER A 55 8.305 -22.873 -11.848 1.00 0.00 H new ATOM 0 HB2 SER A 55 7.704 -21.754 -9.099 1.00 0.00 H new ATOM 0 HB3 SER A 55 7.005 -23.277 -9.614 1.00 0.00 H new ATOM 0 HG SER A 55 9.014 -23.571 -8.483 1.00 0.00 H new ATOM 845 N ASN A 56 5.597 -21.302 -10.919 1.00 0.00 N ATOM 846 CA ASN A 56 4.172 -21.160 -11.202 1.00 0.00 C ATOM 847 C ASN A 56 3.846 -19.746 -11.622 1.00 0.00 C ATOM 848 O ASN A 56 3.873 -18.818 -10.806 1.00 0.00 O ATOM 849 CB ASN A 56 3.349 -21.559 -9.941 1.00 0.00 C ATOM 850 CG ASN A 56 3.407 -23.029 -9.511 1.00 0.00 C ATOM 851 OD1 ASN A 56 4.446 -23.568 -9.160 1.00 0.00 O ATOM 852 ND2 ASN A 56 2.303 -23.727 -9.510 1.00 0.00 N ATOM 0 H ASN A 56 5.885 -20.893 -10.030 1.00 0.00 H new ATOM 0 HA ASN A 56 3.908 -21.822 -12.027 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.691 -20.948 -9.106 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.306 -21.299 -10.121 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.318 -24.705 -9.219 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.426 -23.294 -9.800 1.00 0.00 H new ATOM 859 N PRO A 57 3.527 -19.545 -12.886 1.00 0.00 N ATOM 860 CA PRO A 57 3.233 -18.193 -13.539 1.00 0.00 C ATOM 861 C PRO A 57 2.114 -17.413 -12.887 1.00 0.00 C ATOM 862 O PRO A 57 2.139 -16.184 -12.772 1.00 0.00 O ATOM 863 CB PRO A 57 2.834 -18.476 -14.980 1.00 0.00 C ATOM 864 CG PRO A 57 3.528 -19.818 -15.261 1.00 0.00 C ATOM 865 CD PRO A 57 3.374 -20.577 -13.937 1.00 0.00 C ATOM 0 HA PRO A 57 4.129 -17.580 -13.441 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.752 -18.547 -15.095 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.176 -17.693 -15.657 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.056 -20.350 -16.087 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.576 -19.681 -15.527 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.402 -21.065 -13.872 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.130 -21.356 -13.838 1.00 0.00 H new ATOM 873 N GLU A 58 1.109 -18.143 -12.422 1.00 0.00 N ATOM 874 CA GLU A 58 -0.004 -17.563 -11.680 1.00 0.00 C ATOM 875 C GLU A 58 0.460 -17.013 -10.351 1.00 0.00 C ATOM 876 O GLU A 58 -0.003 -15.966 -9.881 1.00 0.00 O ATOM 877 CB GLU A 58 -1.094 -18.657 -11.491 1.00 0.00 C ATOM 878 CG GLU A 58 -0.650 -20.010 -10.843 1.00 0.00 C ATOM 879 CD GLU A 58 -1.513 -21.250 -11.088 1.00 0.00 C ATOM 880 OE1 GLU A 58 -2.534 -21.229 -11.762 1.00 0.00 O ATOM 881 OE2 GLU A 58 -1.038 -22.376 -10.486 1.00 0.00 O ATOM 0 H GLU A 58 1.042 -19.153 -12.548 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.424 -16.726 -12.238 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.892 -18.236 -10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.524 -18.876 -12.468 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.358 -20.232 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.586 -19.857 -9.766 1.00 0.00 H new ATOM 888 N LEU A 59 1.398 -17.701 -9.727 1.00 0.00 N ATOM 889 CA LEU A 59 1.991 -17.252 -8.470 1.00 0.00 C ATOM 890 C LEU A 59 3.280 -16.499 -8.710 1.00 0.00 C ATOM 891 O LEU A 59 3.683 -16.240 -9.849 1.00 0.00 O ATOM 892 CB LEU A 59 2.223 -18.461 -7.519 1.00 0.00 C ATOM 893 CG LEU A 59 1.038 -18.929 -6.631 1.00 0.00 C ATOM 894 CD1 LEU A 59 0.147 -19.906 -7.412 1.00 0.00 C ATOM 895 CD2 LEU A 59 1.502 -19.587 -5.319 1.00 0.00 C ATOM 0 H LEU A 59 1.773 -18.585 -10.072 1.00 0.00 H new ATOM 0 HA LEU A 59 1.293 -16.565 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.539 -19.308 -8.127 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.056 -18.213 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 59 0.471 -18.037 -6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.681 -20.228 -6.780 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.246 -19.410 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.734 -20.774 -7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.632 -19.894 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.113 -20.460 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.089 -18.873 -4.742 1.00 0.00 H new ATOM 907 N THR A 60 3.938 -16.116 -7.632 1.00 0.00 N ATOM 908 CA THR A 60 5.171 -15.331 -7.691 1.00 0.00 C ATOM 909 C THR A 60 5.976 -15.515 -6.423 1.00 0.00 C ATOM 910 O THR A 60 6.132 -16.674 -5.964 1.00 0.00 O ATOM 911 CB THR A 60 4.838 -13.823 -7.956 1.00 0.00 C ATOM 912 OG1 THR A 60 4.075 -13.290 -6.887 1.00 0.00 O ATOM 913 CG2 THR A 60 3.996 -13.525 -9.218 1.00 0.00 C ATOM 0 H THR A 60 3.636 -16.338 -6.683 1.00 0.00 H new ATOM 0 HA THR A 60 5.783 -15.687 -8.520 1.00 0.00 H new ATOM 0 HB THR A 60 5.825 -13.377 -8.077 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.637 -12.463 -7.178 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.828 -12.451 -9.298 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.528 -13.876 -10.102 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.037 -14.037 -9.145 1.00 0.00 H new ATOM 921 N PHE A 61 6.513 -14.470 -5.823 1.00 0.00 N ATOM 922 CA PHE A 61 7.208 -14.606 -4.535 1.00 0.00 C ATOM 923 C PHE A 61 6.193 -14.823 -3.432 1.00 0.00 C ATOM 924 O PHE A 61 5.199 -15.569 -3.680 1.00 0.00 O ATOM 925 CB PHE A 61 8.103 -13.354 -4.285 1.00 0.00 C ATOM 926 CG PHE A 61 7.633 -12.062 -3.614 1.00 0.00 C ATOM 927 CD1 PHE A 61 6.681 -11.240 -4.223 1.00 0.00 C ATOM 928 CD2 PHE A 61 8.218 -11.663 -2.401 1.00 0.00 C ATOM 929 CE1 PHE A 61 6.353 -10.012 -3.654 1.00 0.00 C ATOM 930 CE2 PHE A 61 7.881 -10.441 -1.829 1.00 0.00 C ATOM 931 CZ PHE A 61 6.957 -9.615 -2.463 1.00 0.00 C ATOM 0 H PHE A 61 6.488 -13.520 -6.194 1.00 0.00 H new ATOM 0 HA PHE A 61 7.865 -15.475 -4.549 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.952 -13.705 -3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 61 8.489 -13.062 -5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.199 -11.557 -5.136 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.932 -12.308 -1.911 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.632 -9.368 -4.135 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.334 -10.134 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.706 -8.659 -2.028 1.00 0.00 H new ATOM 941 N ARG A 62 6.333 -14.296 -2.234 1.00 0.00 N ATOM 942 CA ARG A 62 5.297 -14.414 -1.200 1.00 0.00 C ATOM 943 C ARG A 62 4.475 -13.157 -1.053 1.00 0.00 C ATOM 944 O ARG A 62 3.401 -13.176 -0.414 1.00 0.00 O ATOM 945 CB ARG A 62 5.975 -14.787 0.148 1.00 0.00 C ATOM 946 CG ARG A 62 6.565 -16.221 0.231 1.00 0.00 C ATOM 947 CD ARG A 62 7.821 -16.281 1.113 1.00 0.00 C ATOM 948 NE ARG A 62 7.683 -17.419 2.056 1.00 0.00 N ATOM 949 CZ ARG A 62 8.236 -18.615 1.903 1.00 0.00 C ATOM 950 NH1 ARG A 62 8.918 -18.979 0.858 1.00 0.00 N ATOM 951 NH2 ARG A 62 8.084 -19.466 2.855 1.00 0.00 N ATOM 0 H ARG A 62 7.159 -13.775 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 62 4.602 -15.197 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.776 -14.073 0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.243 -14.668 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.811 -16.900 0.629 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.810 -16.570 -0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.711 -16.407 0.496 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.943 -15.347 1.662 1.00 0.00 H new ATOM 0 HE ARG A 62 7.116 -17.269 2.891 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.056 -18.326 0.086 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.315 -19.917 0.810 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.554 -19.210 3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.493 -20.397 2.777 1.00 0.00 H new ATOM 965 N GLY A 63 4.931 -12.044 -1.580 1.00 0.00 N ATOM 966 CA GLY A 63 4.113 -10.816 -1.694 1.00 0.00 C ATOM 967 C GLY A 63 3.485 -10.883 -3.098 1.00 0.00 C ATOM 968 O GLY A 63 3.456 -9.935 -3.880 1.00 0.00 O ATOM 0 H GLY A 63 5.877 -11.945 -1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.346 -10.780 -0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.725 -9.922 -1.578 1.00 0.00 H new ATOM 972 N GLU A 64 2.951 -12.053 -3.372 1.00 0.00 N ATOM 973 CA GLU A 64 2.507 -12.446 -4.711 1.00 0.00 C ATOM 974 C GLU A 64 1.114 -12.035 -5.142 1.00 0.00 C ATOM 975 O GLU A 64 0.858 -11.968 -6.360 1.00 0.00 O ATOM 976 CB GLU A 64 2.627 -14.009 -4.735 1.00 0.00 C ATOM 977 CG GLU A 64 1.918 -14.779 -3.574 1.00 0.00 C ATOM 978 CD GLU A 64 1.626 -16.271 -3.755 1.00 0.00 C ATOM 979 OE1 GLU A 64 2.507 -17.116 -3.841 1.00 0.00 O ATOM 980 OE2 GLU A 64 0.298 -16.567 -3.808 1.00 0.00 O ATOM 0 H GLU A 64 2.807 -12.776 -2.667 1.00 0.00 H new ATOM 0 HA GLU A 64 3.135 -11.914 -5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.221 -14.368 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.685 -14.271 -4.722 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.532 -14.668 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.971 -14.278 -3.375 1.00 0.00 H new ATOM 987 N PRO A 65 0.187 -11.767 -4.251 1.00 0.00 N ATOM 988 CA PRO A 65 -1.283 -11.423 -4.477 1.00 0.00 C ATOM 989 C PRO A 65 -1.615 -10.622 -5.722 1.00 0.00 C ATOM 990 O PRO A 65 -0.795 -9.947 -6.356 1.00 0.00 O ATOM 991 CB PRO A 65 -1.689 -10.590 -3.270 1.00 0.00 C ATOM 992 CG PRO A 65 -0.898 -11.274 -2.145 1.00 0.00 C ATOM 993 CD PRO A 65 0.409 -11.747 -2.778 1.00 0.00 C ATOM 0 HA PRO A 65 -1.813 -12.366 -4.611 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.415 -9.541 -3.385 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -2.764 -10.621 -3.093 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.707 -10.581 -1.326 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.456 -12.113 -1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.229 -11.077 -2.519 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.679 -12.738 -2.414 1.00 0.00 H new ATOM 1001 N SER A 66 -2.894 -10.665 -6.088 1.00 0.00 N ATOM 1002 CA SER A 66 -3.440 -9.913 -7.212 1.00 0.00 C ATOM 1003 C SER A 66 -4.765 -9.280 -6.851 1.00 0.00 C ATOM 1004 O SER A 66 -5.443 -9.681 -5.898 1.00 0.00 O ATOM 1005 CB SER A 66 -3.567 -10.816 -8.465 1.00 0.00 C ATOM 1006 OG SER A 66 -2.307 -11.320 -8.921 1.00 0.00 O ATOM 0 H SER A 66 -3.590 -11.232 -5.604 1.00 0.00 H new ATOM 0 HA SER A 66 -2.747 -9.106 -7.450 1.00 0.00 H new ATOM 0 HB2 SER A 66 -4.226 -11.654 -8.237 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.038 -10.249 -9.268 1.00 0.00 H new ATOM 0 HG SER A 66 -2.446 -11.883 -9.711 1.00 0.00 H new ATOM 1012 N TYR A 67 -5.169 -8.288 -7.625 1.00 0.00 N ATOM 1013 CA TYR A 67 -6.395 -7.536 -7.362 1.00 0.00 C ATOM 1014 C TYR A 67 -6.992 -7.030 -8.656 1.00 0.00 C ATOM 1015 O TYR A 67 -6.338 -6.990 -9.704 1.00 0.00 O ATOM 1016 CB TYR A 67 -6.103 -6.324 -6.426 1.00 0.00 C ATOM 1017 CG TYR A 67 -5.567 -6.664 -5.030 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -4.194 -6.819 -4.823 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -6.450 -6.831 -3.955 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -3.709 -7.159 -3.564 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -5.956 -7.110 -2.683 1.00 0.00 C ATOM 1022 CZ TYR A 67 -4.586 -7.255 -2.486 1.00 0.00 C ATOM 1023 OH TYR A 67 -4.101 -7.497 -1.231 1.00 0.00 O ATOM 0 H TYR A 67 -4.661 -7.977 -8.453 1.00 0.00 H new ATOM 0 HA TYR A 67 -7.103 -8.206 -6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.382 -5.674 -6.921 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.023 -5.750 -6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.507 -6.674 -5.643 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.515 -6.743 -4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.655 -7.348 -3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.636 -7.214 -1.850 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.845 -7.533 -0.594 1.00 0.00 H new ATOM 1033 N ASP A 68 -8.259 -6.673 -8.614 1.00 0.00 N ATOM 1034 CA ASP A 68 -8.954 -6.011 -9.721 1.00 0.00 C ATOM 1035 C ASP A 68 -9.666 -4.787 -9.200 1.00 0.00 C ATOM 1036 O ASP A 68 -10.764 -4.896 -8.614 1.00 0.00 O ATOM 1037 CB ASP A 68 -9.916 -6.990 -10.444 1.00 0.00 C ATOM 1038 CG ASP A 68 -11.066 -6.359 -11.242 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -10.914 -5.857 -12.347 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -12.259 -6.398 -10.576 1.00 0.00 O ATOM 0 H ASP A 68 -8.853 -6.833 -7.800 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.227 -5.691 -10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.328 -7.606 -11.124 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.346 -7.659 -9.698 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.093 -3.613 -9.370 1.00 0.00 N ATOM 1046 CA LEU A 69 -9.611 -2.414 -8.710 1.00 0.00 C ATOM 1047 C LEU A 69 -9.620 -1.143 -9.538 1.00 0.00 C ATOM 1048 O LEU A 69 -8.852 -0.186 -9.272 1.00 0.00 O ATOM 1049 CB LEU A 69 -8.787 -2.185 -7.403 1.00 0.00 C ATOM 1050 CG LEU A 69 -8.943 -3.236 -6.271 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -7.623 -3.513 -5.534 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -10.033 -2.790 -5.288 1.00 0.00 C ATOM 0 H LEU A 69 -8.272 -3.455 -9.955 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.665 -2.613 -8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.732 -2.134 -7.673 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.060 -1.210 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.240 -4.175 -6.738 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.791 -4.255 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.884 -3.891 -6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.257 -2.590 -5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.136 -3.533 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.758 -1.830 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.981 -2.689 -5.817 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.485 -1.043 -10.526 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.730 0.221 -11.216 1.00 0.00 C ATOM 1066 C GLN A 70 -11.791 1.028 -10.488 1.00 0.00 C ATOM 1067 O GLN A 70 -12.355 2.021 -10.956 1.00 0.00 O ATOM 1068 CB GLN A 70 -11.130 -0.082 -12.676 1.00 0.00 C ATOM 1069 CG GLN A 70 -10.832 -1.552 -13.150 1.00 0.00 C ATOM 1070 CD GLN A 70 -10.580 -1.859 -14.626 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -9.445 -2.016 -15.056 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -11.586 -1.958 -15.459 1.00 0.00 N ATOM 0 H GLN A 70 -11.038 -1.825 -10.877 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.825 0.828 -11.223 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.196 0.114 -12.794 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -10.604 0.610 -13.333 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -9.958 -1.897 -12.597 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.673 -2.168 -12.833 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.541 -1.831 -15.123 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -11.415 -2.162 -16.444 1.00 0.00 H new ATOM 1081 N ASN A 71 -12.074 0.604 -9.262 1.00 0.00 N ATOM 1082 CA ASN A 71 -12.939 1.273 -8.297 1.00 0.00 C ATOM 1083 C ASN A 71 -12.169 2.183 -7.371 1.00 0.00 C ATOM 1084 O ASN A 71 -12.617 3.269 -6.988 1.00 0.00 O ATOM 1085 CB ASN A 71 -13.678 0.174 -7.473 1.00 0.00 C ATOM 1086 CG ASN A 71 -15.018 -0.322 -8.025 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -16.101 0.083 -7.632 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -14.995 -1.212 -8.988 1.00 0.00 N ATOM 0 H ASN A 71 -11.685 -0.264 -8.894 1.00 0.00 H new ATOM 0 HA ASN A 71 -13.646 1.903 -8.837 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -13.012 -0.684 -7.377 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -13.847 0.560 -6.468 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.869 -1.550 -9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.103 -1.566 -9.334 1.00 0.00 H new ATOM 1095 N ALA A 72 -10.992 1.731 -6.969 1.00 0.00 N ATOM 1096 CA ALA A 72 -10.179 2.402 -5.958 1.00 0.00 C ATOM 1097 C ALA A 72 -9.954 3.856 -6.303 1.00 0.00 C ATOM 1098 O ALA A 72 -10.209 4.336 -7.412 1.00 0.00 O ATOM 1099 CB ALA A 72 -8.859 1.620 -5.819 1.00 0.00 C ATOM 0 H ALA A 72 -10.567 0.880 -7.337 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.698 2.408 -4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.230 2.099 -5.069 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.073 0.596 -5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.339 1.611 -6.777 1.00 0.00 H new ATOM 1105 N ALA A 73 -9.436 4.594 -5.331 1.00 0.00 N ATOM 1106 CA ALA A 73 -9.195 6.025 -5.489 1.00 0.00 C ATOM 1107 C ALA A 73 -7.726 6.306 -5.702 1.00 0.00 C ATOM 1108 O ALA A 73 -6.888 5.395 -5.745 1.00 0.00 O ATOM 1109 CB ALA A 73 -9.763 6.734 -4.247 1.00 0.00 C ATOM 0 H ALA A 73 -9.172 4.224 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.698 6.408 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.598 7.808 -4.334 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.832 6.536 -4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.261 6.361 -3.354 1.00 0.00 H new ATOM 1115 N ILE A 74 -7.382 7.571 -5.864 1.00 0.00 N ATOM 1116 CA ILE A 74 -5.982 7.973 -5.990 1.00 0.00 C ATOM 1117 C ILE A 74 -5.694 9.214 -5.176 1.00 0.00 C ATOM 1118 O ILE A 74 -6.532 10.109 -5.019 1.00 0.00 O ATOM 1119 CB ILE A 74 -5.570 8.154 -7.507 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -5.154 6.832 -8.228 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -4.426 9.196 -7.704 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -5.136 6.876 -9.770 1.00 0.00 C ATOM 0 H ILE A 74 -8.049 8.342 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.366 7.171 -5.584 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.488 8.518 -7.968 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.160 6.551 -7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.836 6.041 -7.915 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.186 9.277 -8.764 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.750 10.167 -7.330 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.541 8.873 -7.156 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.833 5.904 -10.158 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.132 7.119 -10.139 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.430 7.636 -10.104 1.00 0.00 H new ATOM 1134 N GLU A 75 -4.481 9.286 -4.655 1.00 0.00 N ATOM 1135 CA GLU A 75 -4.049 10.419 -3.843 1.00 0.00 C ATOM 1136 C GLU A 75 -2.560 10.367 -3.593 1.00 0.00 C ATOM 1137 O GLU A 75 -1.962 9.293 -3.445 1.00 0.00 O ATOM 1138 CB GLU A 75 -4.846 10.402 -2.508 1.00 0.00 C ATOM 1139 CG GLU A 75 -5.146 11.780 -1.832 1.00 0.00 C ATOM 1140 CD GLU A 75 -4.376 12.148 -0.561 1.00 0.00 C ATOM 1141 OE1 GLU A 75 -4.654 11.344 0.502 1.00 0.00 O ATOM 1142 OE2 GLU A 75 -3.583 13.079 -0.509 1.00 0.00 O ATOM 0 H GLU A 75 -3.769 8.567 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.250 11.350 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.797 9.902 -2.690 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.295 9.789 -1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.961 12.560 -2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.210 11.810 -1.597 1.00 0.00 H new ATOM 1149 N ILE A 76 -1.931 11.526 -3.537 1.00 0.00 N ATOM 1150 CA ILE A 76 -0.502 11.618 -3.252 1.00 0.00 C ATOM 1151 C ILE A 76 -0.254 11.778 -1.771 1.00 0.00 C ATOM 1152 O ILE A 76 -0.917 12.559 -1.078 1.00 0.00 O ATOM 1153 CB ILE A 76 0.182 12.774 -4.090 1.00 0.00 C ATOM 1154 CG1 ILE A 76 0.219 12.526 -5.632 1.00 0.00 C ATOM 1155 CG2 ILE A 76 1.635 13.087 -3.615 1.00 0.00 C ATOM 1156 CD1 ILE A 76 -0.013 13.767 -6.519 1.00 0.00 C ATOM 0 H ILE A 76 -2.387 12.426 -3.686 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.039 10.681 -3.562 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.467 13.629 -3.900 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.187 12.096 -5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.537 11.780 -5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.053 13.887 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.617 13.399 -2.571 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.251 12.194 -3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.034 13.478 -7.569 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.994 14.190 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.757 14.511 -6.313 1.00 0.00 H new ATOM 1168 N ALA A 77 0.711 11.037 -1.259 1.00 0.00 N ATOM 1169 CA ALA A 77 1.031 11.059 0.166 1.00 0.00 C ATOM 1170 C ALA A 77 1.540 12.418 0.584 1.00 0.00 C ATOM 1171 O ALA A 77 2.706 12.772 0.376 1.00 0.00 O ATOM 1172 CB ALA A 77 2.046 9.934 0.433 1.00 0.00 C ATOM 0 H ALA A 77 1.294 10.406 -1.809 1.00 0.00 H new ATOM 0 HA ALA A 77 0.140 10.883 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.307 9.923 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.607 8.975 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.944 10.106 -0.160 1.00 0.00 H new ATOM 1236 N LYS A 82 9.923 12.730 3.245 1.00 0.00 N ATOM 1237 CA LYS A 82 10.772 11.748 2.569 1.00 0.00 C ATOM 1238 C LYS A 82 9.945 10.952 1.581 1.00 0.00 C ATOM 1239 O LYS A 82 10.108 11.060 0.357 1.00 0.00 O ATOM 1240 CB LYS A 82 11.488 10.822 3.596 1.00 0.00 C ATOM 1241 CG LYS A 82 12.002 11.535 4.871 1.00 0.00 C ATOM 1242 CD LYS A 82 13.302 12.328 4.701 1.00 0.00 C ATOM 1243 CE LYS A 82 14.493 11.362 4.762 1.00 0.00 C ATOM 1244 NZ LYS A 82 15.706 12.055 4.293 1.00 0.00 N ATOM 0 HA LYS A 82 11.553 12.274 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.798 10.032 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.332 10.340 3.102 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.226 12.214 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.152 10.787 5.650 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.297 12.858 3.749 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.388 13.081 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.635 11.006 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.298 10.486 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.516 11.403 4.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.566 12.374 3.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.893 12.877 4.902 1.00 0.00 H new ATOM 1258 N LYS A 83 9.037 10.138 2.085 1.00 0.00 N ATOM 1259 CA LYS A 83 8.040 9.439 1.277 1.00 0.00 C ATOM 1260 C LYS A 83 6.952 10.370 0.788 1.00 0.00 C ATOM 1261 O LYS A 83 6.002 9.946 0.111 1.00 0.00 O ATOM 1262 CB LYS A 83 7.415 8.292 2.121 1.00 0.00 C ATOM 1263 CG LYS A 83 8.459 7.292 2.675 1.00 0.00 C ATOM 1264 CD LYS A 83 7.887 5.978 3.213 1.00 0.00 C ATOM 1265 CE LYS A 83 9.041 5.005 3.497 1.00 0.00 C ATOM 1266 NZ LYS A 83 9.251 4.906 4.952 1.00 0.00 N ATOM 0 H LYS A 83 8.965 9.937 3.082 1.00 0.00 H new ATOM 0 HA LYS A 83 8.540 9.033 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.861 8.725 2.954 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.695 7.751 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.172 7.061 1.884 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.017 7.780 3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.317 6.161 4.124 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.199 5.543 2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.813 4.023 3.084 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.952 5.352 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.032 4.247 5.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.486 5.844 5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 8.383 4.556 5.405 1.00 0.00 H new ATOM 1280 N LYS A 84 7.046 11.654 1.096 1.00 0.00 N ATOM 1281 CA LYS A 84 6.135 12.686 0.563 1.00 0.00 C ATOM 1282 C LYS A 84 6.331 13.042 -0.903 1.00 0.00 C ATOM 1283 O LYS A 84 5.862 14.073 -1.391 1.00 0.00 O ATOM 1284 CB LYS A 84 6.287 13.975 1.424 1.00 0.00 C ATOM 1285 CG LYS A 84 4.982 14.432 2.120 1.00 0.00 C ATOM 1286 CD LYS A 84 5.066 15.799 2.809 1.00 0.00 C ATOM 1287 CE LYS A 84 5.628 16.840 1.830 1.00 0.00 C ATOM 1288 NZ LYS A 84 6.961 17.274 2.286 1.00 0.00 N ATOM 0 H LYS A 84 7.757 12.024 1.726 1.00 0.00 H new ATOM 0 HA LYS A 84 5.135 12.256 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.049 13.803 2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.648 14.783 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.183 14.463 1.379 1.00 0.00 H new ATOM 0 HG3 LYS A 84 4.701 13.684 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.078 16.105 3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.704 15.734 3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.695 16.414 0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.956 17.696 1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.342 17.979 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.883 17.696 3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.599 16.454 2.323 1.00 0.00 H new ATOM 1302 N HIS A 85 7.051 12.193 -1.605 1.00 0.00 N ATOM 1303 CA HIS A 85 7.202 12.272 -3.053 1.00 0.00 C ATOM 1304 C HIS A 85 6.727 10.980 -3.686 1.00 0.00 C ATOM 1305 O HIS A 85 7.354 10.383 -4.565 1.00 0.00 O ATOM 1306 CB HIS A 85 8.697 12.507 -3.329 1.00 0.00 C ATOM 1307 CG HIS A 85 9.194 13.782 -2.712 1.00 0.00 C ATOM 1308 ND1 HIS A 85 8.826 15.070 -3.094 1.00 0.00 N ATOM 1309 CD2 HIS A 85 10.101 13.803 -1.662 1.00 0.00 C ATOM 1310 CE1 HIS A 85 9.558 15.787 -2.220 1.00 0.00 C ATOM 1311 NE2 HIS A 85 10.343 15.113 -1.337 1.00 0.00 N ATOM 0 H HIS A 85 7.558 11.414 -1.185 1.00 0.00 H new ATOM 0 HA HIS A 85 6.607 13.081 -3.478 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.273 11.668 -2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.866 12.536 -4.405 1.00 0.00 H new ATOM 0 HD2 HIS A 85 10.539 12.939 -1.185 1.00 0.00 H new ATOM 0 HE1 HIS A 85 9.523 16.866 -2.220 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.958 15.488 -0.614 1.00 0.00 H new ATOM 1319 N VAL A 86 5.584 10.514 -3.205 1.00 0.00 N ATOM 1320 CA VAL A 86 5.034 9.211 -3.563 1.00 0.00 C ATOM 1321 C VAL A 86 3.623 9.330 -4.091 1.00 0.00 C ATOM 1322 O VAL A 86 2.897 10.289 -3.798 1.00 0.00 O ATOM 1323 CB VAL A 86 5.081 8.263 -2.297 1.00 0.00 C ATOM 1324 CG1 VAL A 86 3.993 8.508 -1.215 1.00 0.00 C ATOM 1325 CG2 VAL A 86 4.990 6.754 -2.627 1.00 0.00 C ATOM 0 H VAL A 86 5.004 11.035 -2.547 1.00 0.00 H new ATOM 0 HA VAL A 86 5.639 8.783 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 86 6.061 8.534 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.127 7.799 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.083 9.525 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.005 8.372 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 86 5.029 6.177 -1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.051 6.550 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.825 6.471 -3.268 1.00 0.00 H new ATOM 1335 N LEU A 87 3.201 8.347 -4.861 1.00 0.00 N ATOM 1336 CA LEU A 87 1.819 8.245 -5.331 1.00 0.00 C ATOM 1337 C LEU A 87 1.145 7.034 -4.732 1.00 0.00 C ATOM 1338 O LEU A 87 1.835 6.067 -4.337 1.00 0.00 O ATOM 1339 CB LEU A 87 1.776 8.205 -6.885 1.00 0.00 C ATOM 1340 CG LEU A 87 3.007 7.597 -7.618 1.00 0.00 C ATOM 1341 CD1 LEU A 87 2.593 7.101 -9.008 1.00 0.00 C ATOM 1342 CD2 LEU A 87 4.171 8.594 -7.745 1.00 0.00 C ATOM 0 H LEU A 87 3.803 7.590 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 87 1.271 9.128 -5.003 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.893 7.640 -7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.639 9.225 -7.245 1.00 0.00 H new ATOM 0 HG LEU A 87 3.362 6.762 -7.013 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.459 6.677 -9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.822 6.338 -8.907 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.204 7.936 -9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.003 8.118 -8.264 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.843 9.467 -8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.493 8.905 -6.751 1.00 0.00 H new ATOM 1354 N ARG A 88 -0.169 7.039 -4.609 1.00 0.00 N ATOM 1355 CA ARG A 88 -0.872 5.920 -3.973 1.00 0.00 C ATOM 1356 C ARG A 88 -2.336 5.840 -4.341 1.00 0.00 C ATOM 1357 O ARG A 88 -3.072 6.839 -4.244 1.00 0.00 O ATOM 1358 CB ARG A 88 -0.709 6.069 -2.431 1.00 0.00 C ATOM 1359 CG ARG A 88 -1.944 6.643 -1.688 1.00 0.00 C ATOM 1360 CD ARG A 88 -1.616 7.916 -0.895 1.00 0.00 C ATOM 1361 NE ARG A 88 -1.217 7.523 0.481 1.00 0.00 N ATOM 1362 CZ ARG A 88 -2.051 7.283 1.484 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -3.346 7.355 1.395 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -1.537 6.959 2.618 1.00 0.00 N ATOM 0 H ARG A 88 -0.774 7.793 -4.935 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.429 4.992 -4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.474 5.091 -2.011 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.146 6.715 -2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.729 6.862 -2.411 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.338 5.887 -1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.811 8.468 -1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.482 8.577 -0.864 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.219 7.430 0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.783 7.610 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.925 7.156 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.524 6.895 2.719 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.142 6.766 3.416 1.00 0.00 H new ATOM 1378 N VAL A 89 -2.805 4.687 -4.786 1.00 0.00 N ATOM 1379 CA VAL A 89 -4.244 4.471 -4.985 1.00 0.00 C ATOM 1380 C VAL A 89 -4.796 3.650 -3.839 1.00 0.00 C ATOM 1381 O VAL A 89 -4.332 2.543 -3.548 1.00 0.00 O ATOM 1382 CB VAL A 89 -4.588 3.769 -6.359 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -3.463 2.896 -6.986 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -5.854 2.870 -6.290 1.00 0.00 C ATOM 0 H VAL A 89 -2.221 3.884 -5.018 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.710 5.456 -5.012 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.746 4.638 -6.997 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.815 2.467 -7.924 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.586 3.515 -7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.198 2.094 -6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.033 2.419 -7.266 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.703 2.085 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -6.715 3.475 -6.006 1.00 0.00 H new ATOM 1394 N LYS A 90 -5.784 4.204 -3.163 1.00 0.00 N ATOM 1395 CA LYS A 90 -6.328 3.600 -1.950 1.00 0.00 C ATOM 1396 C LYS A 90 -7.700 3.024 -2.206 1.00 0.00 C ATOM 1397 O LYS A 90 -8.621 3.715 -2.660 1.00 0.00 O ATOM 1398 CB LYS A 90 -6.364 4.667 -0.821 1.00 0.00 C ATOM 1399 CG LYS A 90 -7.539 4.520 0.178 1.00 0.00 C ATOM 1400 CD LYS A 90 -7.810 5.760 1.037 1.00 0.00 C ATOM 1401 CE LYS A 90 -6.476 6.367 1.492 1.00 0.00 C ATOM 1402 NZ LYS A 90 -6.719 7.701 2.069 1.00 0.00 N ATOM 0 H LYS A 90 -6.233 5.079 -3.432 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.687 2.776 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.427 4.620 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -6.415 5.656 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.443 4.277 -0.380 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -7.334 3.676 0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.380 6.493 0.467 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.414 5.491 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.002 5.720 2.230 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.791 6.443 0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.817 8.115 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.154 8.316 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.358 7.615 2.885 1.00 0.00 H new ATOM 1416 N LEU A 91 -7.856 1.738 -1.940 1.00 0.00 N ATOM 1417 CA LEU A 91 -9.172 1.106 -2.009 1.00 0.00 C ATOM 1418 C LEU A 91 -10.052 1.593 -0.882 1.00 0.00 C ATOM 1419 O LEU A 91 -9.621 2.304 0.033 1.00 0.00 O ATOM 1420 CB LEU A 91 -9.088 -0.451 -1.955 1.00 0.00 C ATOM 1421 CG LEU A 91 -7.927 -1.202 -2.673 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -6.640 -1.111 -1.839 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -8.270 -2.694 -2.897 1.00 0.00 C ATOM 0 H LEU A 91 -7.096 1.111 -1.676 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.603 1.388 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.055 -0.736 -0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -10.022 -0.839 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.781 -0.725 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.836 -1.640 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.362 -0.065 -1.711 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.807 -1.564 -0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.438 -3.187 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.449 -3.175 -1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.165 -2.773 -3.514 1.00 0.00 H new ATOM 1435 N ALA A 92 -11.307 1.188 -0.924 1.00 0.00 N ATOM 1436 CA ALA A 92 -12.229 1.413 0.185 1.00 0.00 C ATOM 1437 C ALA A 92 -12.658 0.093 0.789 1.00 0.00 C ATOM 1438 O ALA A 92 -13.700 -0.013 1.445 1.00 0.00 O ATOM 1439 CB ALA A 92 -13.410 2.249 -0.338 1.00 0.00 C ATOM 0 H ALA A 92 -11.718 0.698 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 92 -11.747 1.968 0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.115 2.431 0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.041 3.201 -0.719 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -13.912 1.708 -1.140 1.00 0.00 H new ATOM 1445 N ASN A 93 -11.844 -0.929 0.596 1.00 0.00 N ATOM 1446 CA ASN A 93 -12.151 -2.280 1.062 1.00 0.00 C ATOM 1447 C ASN A 93 -11.133 -2.748 2.076 1.00 0.00 C ATOM 1448 O ASN A 93 -11.298 -3.835 2.672 1.00 0.00 O ATOM 1449 CB ASN A 93 -12.215 -3.254 -0.152 1.00 0.00 C ATOM 1450 CG ASN A 93 -10.893 -3.603 -0.844 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -9.809 -3.443 -0.303 1.00 0.00 O ATOM 1452 ND2 ASN A 93 -10.930 -4.112 -2.046 1.00 0.00 N ATOM 0 H ASN A 93 -10.949 -0.851 0.112 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.123 -2.268 1.555 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -12.675 -4.183 0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.882 -2.820 -0.897 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -10.063 -4.369 -2.518 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -11.826 -4.253 -2.513 1.00 0.00 H new ATOM 1459 N GLY A 94 -10.068 -2.000 2.303 1.00 0.00 N ATOM 1460 CA GLY A 94 -9.129 -2.320 3.379 1.00 0.00 C ATOM 1461 C GLY A 94 -7.769 -1.690 3.217 1.00 0.00 C ATOM 1462 O GLY A 94 -7.429 -0.698 3.881 1.00 0.00 O ATOM 0 H GLY A 94 -9.827 -1.169 1.763 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.557 -1.997 4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.012 -3.402 3.435 1.00 0.00 H new ATOM 1466 N ALA A 95 -6.964 -2.230 2.321 1.00 0.00 N ATOM 1467 CA ALA A 95 -5.567 -1.824 2.191 1.00 0.00 C ATOM 1468 C ALA A 95 -5.397 -0.668 1.231 1.00 0.00 C ATOM 1469 O ALA A 95 -6.349 -0.056 0.739 1.00 0.00 O ATOM 1470 CB ALA A 95 -4.768 -3.067 1.757 1.00 0.00 C ATOM 0 H ALA A 95 -7.252 -2.957 1.666 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.192 -1.454 3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.716 -2.804 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.871 -3.847 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.151 -3.431 0.804 1.00 0.00 H new ATOM 1476 N LEU A 96 -4.140 -0.338 0.968 1.00 0.00 N ATOM 1477 CA LEU A 96 -3.774 0.650 -0.041 1.00 0.00 C ATOM 1478 C LEU A 96 -2.525 0.231 -0.786 1.00 0.00 C ATOM 1479 O LEU A 96 -1.957 -0.847 -0.585 1.00 0.00 O ATOM 1480 CB LEU A 96 -3.582 2.054 0.600 1.00 0.00 C ATOM 1481 CG LEU A 96 -4.072 2.300 2.051 1.00 0.00 C ATOM 1482 CD1 LEU A 96 -3.309 3.445 2.745 1.00 0.00 C ATOM 1483 CD2 LEU A 96 -5.572 2.628 2.053 1.00 0.00 C ATOM 0 H LEU A 96 -3.341 -0.749 1.450 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.593 0.710 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.517 2.285 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.083 2.778 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.881 1.382 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.691 3.575 3.758 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.247 3.202 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.448 4.368 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -5.906 2.799 3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.749 3.525 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.127 1.794 1.625 1.00 0.00 H new ATOM 1495 N PHE A 97 -2.061 1.110 -1.655 1.00 0.00 N ATOM 1496 CA PHE A 97 -0.856 0.908 -2.452 1.00 0.00 C ATOM 1497 C PHE A 97 -0.090 2.205 -2.595 1.00 0.00 C ATOM 1498 O PHE A 97 -0.649 3.181 -3.141 1.00 0.00 O ATOM 1499 CB PHE A 97 -1.240 0.405 -3.878 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.246 -0.755 -3.959 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.857 -2.065 -3.670 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -3.554 -0.502 -4.390 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.777 -3.105 -3.774 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -4.468 -1.544 -4.504 1.00 0.00 C ATOM 1505 CZ PHE A 97 -4.083 -2.844 -4.185 1.00 0.00 C ATOM 0 H PHE A 97 -2.518 2.004 -1.833 1.00 0.00 H new ATOM 0 HA PHE A 97 -0.235 0.169 -1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.648 1.247 -4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.326 0.098 -4.387 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.842 -2.271 -3.366 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.854 0.506 -4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.478 -4.115 -3.536 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -5.475 -1.345 -4.840 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.797 -3.651 -4.256 1.00 0.00 H new ATOM 1515 N LEU A 98 1.140 2.307 -2.131 1.00 0.00 N ATOM 1516 CA LEU A 98 1.968 3.498 -2.344 1.00 0.00 C ATOM 1517 C LEU A 98 3.054 3.230 -3.359 1.00 0.00 C ATOM 1518 O LEU A 98 3.416 2.057 -3.591 1.00 0.00 O ATOM 1519 CB LEU A 98 2.582 3.992 -1.003 1.00 0.00 C ATOM 1520 CG LEU A 98 1.622 4.527 0.094 1.00 0.00 C ATOM 1521 CD1 LEU A 98 1.674 3.614 1.328 1.00 0.00 C ATOM 1522 CD2 LEU A 98 1.940 5.974 0.507 1.00 0.00 C ATOM 0 H LEU A 98 1.602 1.572 -1.595 1.00 0.00 H new ATOM 0 HA LEU A 98 1.325 4.285 -2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.150 3.167 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.295 4.783 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 98 0.619 4.525 -0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.998 3.997 2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 98 1.371 2.605 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.690 3.591 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.238 6.296 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.956 6.026 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.852 6.628 -0.361 1.00 0.00 H new ATOM 1534 N LEU A 99 3.592 4.251 -4.008 1.00 0.00 N ATOM 1535 CA LEU A 99 4.590 4.041 -5.059 1.00 0.00 C ATOM 1536 C LEU A 99 5.707 5.056 -4.976 1.00 0.00 C ATOM 1537 O LEU A 99 5.513 6.245 -5.294 1.00 0.00 O ATOM 1538 CB LEU A 99 3.937 4.079 -6.472 1.00 0.00 C ATOM 1539 CG LEU A 99 2.401 3.858 -6.597 1.00 0.00 C ATOM 1540 CD1 LEU A 99 2.022 3.748 -8.085 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.884 2.620 -5.852 1.00 0.00 C ATOM 0 H LEU A 99 3.360 5.228 -3.831 1.00 0.00 H new ATOM 0 HA LEU A 99 5.017 3.051 -4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.168 5.047 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.430 3.323 -7.083 1.00 0.00 H new ATOM 0 HG LEU A 99 1.928 4.721 -6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.947 3.593 -8.176 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.301 4.667 -8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.549 2.906 -8.533 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.806 2.537 -5.989 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.370 1.728 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.109 2.714 -4.790 1.00 0.00 H new ATOM 1553 N GLN A 100 6.894 4.638 -4.585 1.00 0.00 N ATOM 1554 CA GLN A 100 8.071 5.505 -4.633 1.00 0.00 C ATOM 1555 C GLN A 100 8.978 5.091 -5.771 1.00 0.00 C ATOM 1556 O GLN A 100 9.835 4.211 -5.633 1.00 0.00 O ATOM 1557 CB GLN A 100 8.817 5.444 -3.281 1.00 0.00 C ATOM 1558 CG GLN A 100 9.849 6.597 -3.025 1.00 0.00 C ATOM 1559 CD GLN A 100 10.467 6.775 -1.634 1.00 0.00 C ATOM 1560 OE1 GLN A 100 10.108 7.780 -0.876 1.00 0.00 O flip ATOM 1561 NE2 GLN A 100 11.320 6.003 -1.220 1.00 0.00 N flip ATOM 0 H GLN A 100 7.077 3.700 -4.228 1.00 0.00 H new ATOM 0 HA GLN A 100 7.756 6.533 -4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.080 5.456 -2.478 1.00 0.00 H new ATOM 0 HB3 GLN A 100 9.341 4.490 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.669 6.461 -3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 100 9.359 7.535 -3.285 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.615 5.213 -1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 100 11.737 6.149 -0.301 1.00 0.00 H new ATOM 1570 N ALA A 101 8.785 5.716 -6.918 1.00 0.00 N ATOM 1571 CA ALA A 101 9.474 5.324 -8.144 1.00 0.00 C ATOM 1572 C ALA A 101 10.884 5.866 -8.184 1.00 0.00 C ATOM 1573 O ALA A 101 11.228 6.855 -7.528 1.00 0.00 O ATOM 1574 CB ALA A 101 8.620 5.805 -9.331 1.00 0.00 C ATOM 0 H ALA A 101 8.150 6.506 -7.031 1.00 0.00 H new ATOM 0 HA ALA A 101 9.582 4.240 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 101 9.107 5.528 -10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.635 5.340 -9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 101 8.512 6.889 -9.286 1.00 0.00 H new ATOM 1580 N HIS A 102 11.719 5.224 -8.985 1.00 0.00 N ATOM 1581 CA HIS A 102 13.113 5.625 -9.140 1.00 0.00 C ATOM 1582 C HIS A 102 13.217 7.063 -9.589 1.00 0.00 C ATOM 1583 O HIS A 102 13.567 7.964 -8.817 1.00 0.00 O ATOM 1584 CB HIS A 102 13.719 4.689 -10.200 1.00 0.00 C ATOM 1585 CG HIS A 102 14.931 5.266 -10.871 1.00 0.00 C ATOM 1586 ND1 HIS A 102 16.012 5.867 -10.232 1.00 0.00 N ATOM 1587 CD2 HIS A 102 15.101 5.251 -12.250 1.00 0.00 C ATOM 1588 CE1 HIS A 102 16.773 6.170 -11.300 1.00 0.00 C ATOM 1589 NE2 HIS A 102 16.304 5.843 -12.535 1.00 0.00 N ATOM 0 H HIS A 102 11.454 4.414 -9.545 1.00 0.00 H new ATOM 0 HA HIS A 102 13.644 5.551 -8.191 1.00 0.00 H new ATOM 0 HB2 HIS A 102 13.987 3.743 -9.730 1.00 0.00 H new ATOM 0 HB3 HIS A 102 12.964 4.467 -10.955 1.00 0.00 H new ATOM 0 HD2 HIS A 102 14.407 4.844 -12.971 1.00 0.00 H new ATOM 0 HE1 HIS A 102 17.729 6.659 -11.180 1.00 0.00 H new ATOM 0 HE2 HIS A 102 16.739 5.999 -13.444 1.00 0.00 H new ATOM 1597 N ASP A 103 12.911 7.304 -10.849 1.00 0.00 N ATOM 1598 CA ASP A 103 13.112 8.618 -11.453 1.00 0.00 C ATOM 1599 C ASP A 103 11.874 9.472 -11.313 1.00 0.00 C ATOM 1600 O ASP A 103 10.764 8.935 -11.102 1.00 0.00 O ATOM 1601 CB ASP A 103 13.525 8.469 -12.941 1.00 0.00 C ATOM 1602 CG ASP A 103 14.513 9.510 -13.490 1.00 0.00 C ATOM 1603 OD1 ASP A 103 15.818 9.165 -13.277 1.00 0.00 O ATOM 1604 OD2 ASP A 103 14.158 10.524 -14.074 1.00 0.00 O ATOM 0 H ASP A 103 12.520 6.606 -11.482 1.00 0.00 H new ATOM 0 HA ASP A 103 13.921 9.122 -10.923 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.963 7.480 -13.075 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.622 8.503 -13.550 1.00 0.00 H new ATOM 1609 N ASP A 104 11.992 10.782 -11.401 1.00 0.00 N ATOM 1610 CA ASP A 104 10.813 11.645 -11.461 1.00 0.00 C ATOM 1611 C ASP A 104 10.029 11.377 -12.727 1.00 0.00 C ATOM 1612 O ASP A 104 8.837 11.724 -12.823 1.00 0.00 O ATOM 1613 CB ASP A 104 11.208 13.140 -11.339 1.00 0.00 C ATOM 1614 CG ASP A 104 12.374 13.485 -10.403 1.00 0.00 C ATOM 1615 OD1 ASP A 104 11.968 13.732 -9.120 1.00 0.00 O ATOM 1616 OD2 ASP A 104 13.537 13.547 -10.775 1.00 0.00 O ATOM 0 H ASP A 104 12.883 11.277 -11.433 1.00 0.00 H new ATOM 0 HA ASP A 104 10.170 11.412 -10.612 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.456 13.506 -12.335 1.00 0.00 H new ATOM 0 HB3 ASP A 104 10.331 13.694 -11.004 1.00 0.00 H new ATOM 1621 N THR A 105 10.637 10.746 -13.717 1.00 0.00 N ATOM 1622 CA THR A 105 10.000 10.571 -15.022 1.00 0.00 C ATOM 1623 C THR A 105 9.102 9.357 -15.013 1.00 0.00 C ATOM 1624 O THR A 105 7.989 9.340 -15.566 1.00 0.00 O ATOM 1625 CB THR A 105 11.077 10.461 -16.154 1.00 0.00 C ATOM 1626 OG1 THR A 105 11.865 11.643 -16.205 1.00 0.00 O ATOM 1627 CG2 THR A 105 10.543 10.288 -17.592 1.00 0.00 C ATOM 0 H THR A 105 11.572 10.344 -13.647 1.00 0.00 H new ATOM 0 HA THR A 105 9.386 11.448 -15.226 1.00 0.00 H new ATOM 0 HB THR A 105 11.624 9.560 -15.875 1.00 0.00 H new ATOM 0 HG1 THR A 105 12.535 11.559 -16.916 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.381 10.224 -18.286 1.00 0.00 H new ATOM 0 HG22 THR A 105 9.951 9.375 -17.653 1.00 0.00 H new ATOM 0 HG23 THR A 105 9.920 11.143 -17.854 1.00 0.00 H new ATOM 1635 N GLU A 106 9.557 8.315 -14.345 1.00 0.00 N ATOM 1636 CA GLU A 106 8.737 7.126 -14.126 1.00 0.00 C ATOM 1637 C GLU A 106 7.771 7.394 -12.992 1.00 0.00 C ATOM 1638 O GLU A 106 6.738 6.714 -12.867 1.00 0.00 O ATOM 1639 CB GLU A 106 9.699 5.927 -13.845 1.00 0.00 C ATOM 1640 CG GLU A 106 9.539 5.226 -12.454 1.00 0.00 C ATOM 1641 CD GLU A 106 9.641 3.702 -12.382 1.00 0.00 C ATOM 1642 OE1 GLU A 106 9.002 2.955 -13.110 1.00 0.00 O ATOM 1643 OE2 GLU A 106 10.509 3.256 -11.431 1.00 0.00 O ATOM 0 H GLU A 106 10.492 8.262 -13.941 1.00 0.00 H new ATOM 0 HA GLU A 106 8.134 6.875 -14.999 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.552 5.180 -14.625 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.725 6.283 -13.934 1.00 0.00 H new ATOM 0 HG2 GLU A 106 10.295 5.639 -11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.568 5.511 -12.050 1.00 0.00 H new ATOM 1650 N MET A 107 8.084 8.363 -12.144 1.00 0.00 N ATOM 1651 CA MET A 107 7.271 8.584 -10.940 1.00 0.00 C ATOM 1652 C MET A 107 5.884 9.031 -11.353 1.00 0.00 C ATOM 1653 O MET A 107 4.841 8.606 -10.849 1.00 0.00 O ATOM 1654 CB MET A 107 7.908 9.633 -9.989 1.00 0.00 C ATOM 1655 CG MET A 107 8.001 9.227 -8.501 1.00 0.00 C ATOM 1656 SD MET A 107 8.404 10.670 -7.503 1.00 0.00 S ATOM 1657 CE MET A 107 6.761 11.391 -7.400 1.00 0.00 C ATOM 0 H MET A 107 8.874 8.999 -12.255 1.00 0.00 H new ATOM 0 HA MET A 107 7.216 7.644 -10.391 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.913 9.857 -10.348 1.00 0.00 H new ATOM 0 HB3 MET A 107 7.331 10.555 -10.059 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.055 8.797 -8.171 1.00 0.00 H new ATOM 0 HG3 MET A 107 8.763 8.458 -8.371 1.00 0.00 H new ATOM 0 HE1 MET A 107 6.751 12.167 -6.634 1.00 0.00 H new ATOM 0 HE2 MET A 107 6.494 11.828 -8.362 1.00 0.00 H new ATOM 0 HE3 MET A 107 6.039 10.616 -7.141 1.00 0.00 H new ATOM 1667 N SER A 108 5.875 9.948 -12.317 1.00 0.00 N ATOM 1668 CA SER A 108 4.649 10.509 -12.874 1.00 0.00 C ATOM 1669 C SER A 108 4.020 9.561 -13.867 1.00 0.00 C ATOM 1670 O SER A 108 2.790 9.508 -14.007 1.00 0.00 O ATOM 1671 CB SER A 108 4.920 11.898 -13.507 1.00 0.00 C ATOM 1672 OG SER A 108 4.414 12.978 -12.716 1.00 0.00 O ATOM 0 H SER A 108 6.725 10.325 -12.736 1.00 0.00 H new ATOM 0 HA SER A 108 3.937 10.647 -12.060 1.00 0.00 H new ATOM 0 HB2 SER A 108 5.994 12.026 -13.644 1.00 0.00 H new ATOM 0 HB3 SER A 108 4.466 11.935 -14.497 1.00 0.00 H new ATOM 0 HG SER A 108 4.613 13.829 -13.159 1.00 0.00 H new ATOM 1678 N GLN A 109 4.832 8.811 -14.592 1.00 0.00 N ATOM 1679 CA GLN A 109 4.318 7.764 -15.476 1.00 0.00 C ATOM 1680 C GLN A 109 3.498 6.752 -14.707 1.00 0.00 C ATOM 1681 O GLN A 109 2.508 6.193 -15.194 1.00 0.00 O ATOM 1682 CB GLN A 109 5.511 7.079 -16.176 1.00 0.00 C ATOM 1683 CG GLN A 109 6.168 7.870 -17.355 1.00 0.00 C ATOM 1684 CD GLN A 109 5.527 7.801 -18.748 1.00 0.00 C ATOM 1685 OE1 GLN A 109 6.025 8.378 -19.701 1.00 0.00 O ATOM 1686 NE2 GLN A 109 4.441 7.094 -18.933 1.00 0.00 N ATOM 0 H GLN A 109 5.848 8.902 -14.590 1.00 0.00 H new ATOM 0 HA GLN A 109 3.660 8.213 -16.220 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.278 6.879 -15.428 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.177 6.113 -16.556 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.209 8.920 -17.064 1.00 0.00 H new ATOM 0 HG3 GLN A 109 7.197 7.524 -17.449 1.00 0.00 H new ATOM 0 HE21 GLN A 109 4.011 6.605 -18.148 1.00 0.00 H new ATOM 0 HE22 GLN A 109 4.025 7.032 -19.862 1.00 0.00 H new ATOM 1695 N TRP A 110 3.921 6.476 -13.487 1.00 0.00 N ATOM 1696 CA TRP A 110 3.178 5.624 -12.563 1.00 0.00 C ATOM 1697 C TRP A 110 1.845 6.237 -12.207 1.00 0.00 C ATOM 1698 O TRP A 110 0.780 5.624 -12.374 1.00 0.00 O ATOM 1699 CB TRP A 110 4.031 5.425 -11.277 1.00 0.00 C ATOM 1700 CG TRP A 110 4.945 4.195 -11.288 1.00 0.00 C ATOM 1701 CD1 TRP A 110 6.350 4.193 -11.170 1.00 0.00 C ATOM 1702 CD2 TRP A 110 4.567 2.867 -11.322 1.00 0.00 C ATOM 1703 NE1 TRP A 110 6.865 2.881 -11.129 1.00 0.00 N ATOM 1704 CE2 TRP A 110 5.740 2.078 -11.226 1.00 0.00 C ATOM 1705 CE3 TRP A 110 3.287 2.256 -11.402 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 5.647 0.668 -11.248 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 3.224 0.863 -11.391 1.00 0.00 C ATOM 1708 CH2 TRP A 110 4.385 0.078 -11.368 1.00 0.00 C ATOM 0 H TRP A 110 4.794 6.836 -13.103 1.00 0.00 H new ATOM 0 HA TRP A 110 2.984 4.664 -13.041 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.645 6.313 -11.125 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.359 5.352 -10.422 1.00 0.00 H new ATOM 0 HD1 TRP A 110 6.956 5.085 -11.118 1.00 0.00 H new ATOM 0 HE1 TRP A 110 7.839 2.591 -11.047 1.00 0.00 H new ATOM 0 HE3 TRP A 110 2.389 2.853 -11.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 6.535 0.057 -11.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 2.259 0.378 -11.400 1.00 0.00 H new ATOM 0 HH2 TRP A 110 4.304 -0.996 -11.444 1.00 0.00 H new ATOM 1719 N VAL A 111 1.864 7.468 -11.730 1.00 0.00 N ATOM 1720 CA VAL A 111 0.638 8.153 -11.322 1.00 0.00 C ATOM 1721 C VAL A 111 -0.336 8.256 -12.472 1.00 0.00 C ATOM 1722 O VAL A 111 -1.546 8.047 -12.325 1.00 0.00 O ATOM 1723 CB VAL A 111 0.989 9.584 -10.752 1.00 0.00 C ATOM 1724 CG1 VAL A 111 0.891 10.769 -11.752 1.00 0.00 C ATOM 1725 CG2 VAL A 111 0.129 10.006 -9.536 1.00 0.00 C ATOM 0 H VAL A 111 2.714 8.020 -11.613 1.00 0.00 H new ATOM 0 HA VAL A 111 0.158 7.569 -10.537 1.00 0.00 H new ATOM 0 HB VAL A 111 2.032 9.423 -10.480 1.00 0.00 H new ATOM 0 HG11 VAL A 111 1.155 11.697 -11.244 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.577 10.602 -12.582 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.128 10.841 -12.132 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.431 10.999 -9.204 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.923 10.023 -9.823 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.272 9.293 -8.724 1.00 0.00 H new ATOM 1735 N THR A 112 0.186 8.561 -13.646 1.00 0.00 N ATOM 1736 CA THR A 112 -0.632 8.717 -14.845 1.00 0.00 C ATOM 1737 C THR A 112 -1.354 7.433 -15.176 1.00 0.00 C ATOM 1738 O THR A 112 -2.579 7.407 -15.354 1.00 0.00 O ATOM 1739 CB THR A 112 0.244 9.182 -16.058 1.00 0.00 C ATOM 1740 OG1 THR A 112 1.480 8.483 -16.068 1.00 0.00 O ATOM 1741 CG2 THR A 112 0.632 10.676 -16.086 1.00 0.00 C ATOM 0 H THR A 112 1.184 8.708 -13.800 1.00 0.00 H new ATOM 0 HA THR A 112 -1.378 9.486 -14.645 1.00 0.00 H new ATOM 0 HB THR A 112 -0.399 8.978 -16.914 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.139 8.977 -15.537 1.00 0.00 H new ATOM 0 HG21 THR A 112 1.237 10.878 -16.970 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.271 11.286 -16.116 1.00 0.00 H new ATOM 0 HG23 THR A 112 1.205 10.920 -15.191 1.00 0.00 H new ATOM 1749 N SER A 113 -0.601 6.349 -15.286 1.00 0.00 N ATOM 1750 CA SER A 113 -1.214 5.032 -15.470 1.00 0.00 C ATOM 1751 C SER A 113 -2.267 4.796 -14.413 1.00 0.00 C ATOM 1752 O SER A 113 -3.426 4.483 -14.711 1.00 0.00 O ATOM 1753 CB SER A 113 -0.158 3.895 -15.494 1.00 0.00 C ATOM 1754 OG SER A 113 -0.527 2.829 -16.375 1.00 0.00 O ATOM 0 H SER A 113 0.418 6.348 -15.253 1.00 0.00 H new ATOM 0 HA SER A 113 -1.699 5.019 -16.446 1.00 0.00 H new ATOM 0 HB2 SER A 113 0.804 4.303 -15.804 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.028 3.502 -14.486 1.00 0.00 H new ATOM 0 HG SER A 113 0.281 2.401 -16.728 1.00 0.00 H new ATOM 1760 N LEU A 114 -1.868 4.916 -13.162 1.00 0.00 N ATOM 1761 CA LEU A 114 -2.752 4.683 -12.023 1.00 0.00 C ATOM 1762 C LEU A 114 -4.078 5.390 -12.188 1.00 0.00 C ATOM 1763 O LEU A 114 -5.141 4.859 -11.832 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.054 5.130 -10.705 1.00 0.00 C ATOM 1765 CG LEU A 114 -0.749 4.409 -10.258 1.00 0.00 C ATOM 1766 CD1 LEU A 114 0.222 5.378 -9.548 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -1.093 3.253 -9.305 1.00 0.00 C ATOM 0 H LEU A 114 -0.918 5.179 -12.900 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.958 3.614 -11.973 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.828 6.192 -10.797 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.779 5.027 -9.898 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.259 4.026 -11.153 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.121 4.839 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.492 6.186 -10.228 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.261 5.794 -8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.176 2.752 -8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -1.606 3.646 -8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.741 2.541 -9.816 1.00 0.00 H new ATOM 1779 N LYS A 115 -4.054 6.598 -12.720 1.00 0.00 N ATOM 1780 CA LYS A 115 -5.275 7.378 -12.915 1.00 0.00 C ATOM 1781 C LYS A 115 -6.112 6.802 -14.032 1.00 0.00 C ATOM 1782 O LYS A 115 -7.347 6.793 -13.986 1.00 0.00 O ATOM 1783 CB LYS A 115 -4.905 8.859 -13.204 1.00 0.00 C ATOM 1784 CG LYS A 115 -6.122 9.817 -13.147 1.00 0.00 C ATOM 1785 CD LYS A 115 -5.775 11.308 -13.186 1.00 0.00 C ATOM 1786 CE LYS A 115 -5.126 11.642 -14.535 1.00 0.00 C ATOM 1787 NZ LYS A 115 -4.432 12.939 -14.438 1.00 0.00 N ATOM 0 H LYS A 115 -3.202 7.067 -13.028 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.872 7.334 -12.004 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -4.159 9.188 -12.481 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.445 8.926 -14.190 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.782 9.591 -13.984 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.683 9.614 -12.235 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.675 11.906 -13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.095 11.556 -12.371 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -4.420 10.860 -14.815 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -5.885 11.681 -15.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.992 13.166 -15.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.117 13.681 -14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.697 12.886 -13.704 1.00 0.00 H new ATOM 1801 N ALA A 116 -5.446 6.331 -15.070 1.00 0.00 N ATOM 1802 CA ALA A 116 -6.109 5.634 -16.170 1.00 0.00 C ATOM 1803 C ALA A 116 -7.059 4.576 -15.660 1.00 0.00 C ATOM 1804 O ALA A 116 -8.155 4.373 -16.202 1.00 0.00 O ATOM 1805 CB ALA A 116 -5.011 5.056 -17.081 1.00 0.00 C ATOM 0 H ALA A 116 -4.436 6.417 -15.180 1.00 0.00 H new ATOM 0 HA ALA A 116 -6.728 6.323 -16.744 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -5.472 4.527 -17.915 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -4.391 5.867 -17.463 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -4.392 4.364 -16.510 1.00 0.00 H new ATOM 1811 N GLN A 117 -6.673 3.896 -14.597 1.00 0.00 N ATOM 1812 CA GLN A 117 -7.431 2.751 -14.095 1.00 0.00 C ATOM 1813 C GLN A 117 -8.254 3.116 -12.879 1.00 0.00 C ATOM 1814 O GLN A 117 -9.488 2.983 -12.882 1.00 0.00 O ATOM 1815 CB GLN A 117 -6.440 1.615 -13.762 1.00 0.00 C ATOM 1816 CG GLN A 117 -6.310 0.482 -14.833 1.00 0.00 C ATOM 1817 CD GLN A 117 -5.785 0.747 -16.250 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -4.971 -0.120 -16.807 1.00 0.00 O flip ATOM 1819 NE2 GLN A 117 -6.077 1.754 -16.873 1.00 0.00 N flip ATOM 0 H GLN A 117 -5.835 4.113 -14.058 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.131 2.423 -14.863 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -5.455 2.054 -13.605 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -6.742 1.162 -12.818 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -5.668 -0.285 -14.400 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.301 0.042 -14.944 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -6.707 2.443 -16.462 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -5.691 1.907 -17.805 1.00 0.00 H new ATOM 1828 N SER A 118 -7.594 3.537 -11.818 1.00 0.00 N ATOM 1829 CA SER A 118 -8.204 3.789 -10.516 1.00 0.00 C ATOM 1830 C SER A 118 -9.616 4.306 -10.660 1.00 0.00 C ATOM 1831 O SER A 118 -10.565 3.849 -10.014 1.00 0.00 O ATOM 1832 CB SER A 118 -7.333 4.764 -9.686 1.00 0.00 C ATOM 1833 OG SER A 118 -7.731 4.844 -8.314 1.00 0.00 O ATOM 0 H SER A 118 -6.591 3.720 -11.833 1.00 0.00 H new ATOM 0 HA SER A 118 -8.258 2.841 -9.981 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.292 4.446 -9.738 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.385 5.757 -10.132 1.00 0.00 H new ATOM 0 HG SER A 118 -8.709 4.822 -8.255 1.00 0.00 H new