USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1050 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 68 ASN : amide:sc= 0.384 K(o=-2.8,f=-0.56) USER MOD Set 1.2: A 71 GLN : amide:sc= -3.21! K(o=-2.8!,f=-0.56) USER MOD Set 2.1: A 9 TYR OH : rot -119:sc= 0.432 USER MOD Set 2.2: A 29 LYS NZ :NH3+ -169:sc= 0.522 (180deg=0.126) USER MOD Set 2.3: A 32 THR OG1 : rot -120:sc= 0.317 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 46:sc= 0.214 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0538 (180deg=-0.345) USER MOD Single : A 16 MET CE :methyl 172:sc=-0.00211 (180deg=-0.114) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.031) USER MOD Single : A 22 LYS NZ :NH3+ 179:sc= 1.85 (180deg=1.84) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00293) USER MOD Single : A 35 LYS NZ :NH3+ -148:sc= -0.87 (180deg=-2.36!) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0.484 (180deg=0.484) USER MOD Single : A 41 MET CE :methyl -149:sc= -1.41 (180deg=-2.66!) USER MOD Single : A 42 LYS NZ :NH3+ -146:sc= 0.692 (180deg=0.16) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -107:sc= 0.00478 USER MOD Single : A 70 MET CE :methyl -157:sc= -0.141 (180deg=-0.732) USER MOD Single : A 75 THR OG1 : rot 84:sc= 1.07 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -159:sc= -1.82 (180deg=-2.84!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= -0.733 (180deg=-0.766) USER MOD Single : A 107 LYS NZ :NH3+ 170:sc= 1.09 (180deg=1.02) USER MOD Single : A 110 MET CE :methyl -116:sc= -0.512 (180deg=-1.58) USER MOD Single : A 118 LYS NZ :NH3+ 143:sc= 0.993 (180deg=0.273) USER MOD Single : A 119 LYS NZ :NH3+ -132:sc= -1.16 (180deg=-4.01!) USER MOD Single : A 120 TYR OH : rot 35:sc= 0.396 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ -171:sc=-0.00526 (180deg=-0.0909) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0.15 K(o=0.15,f=-2.9!) USER MOD Single : A 136 TYR OH : rot 62:sc= -0.137 USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 2.826 2.255 -3.089 1.00 0.00 N ATOM 30 CA LYS A 3 2.444 3.195 -4.178 1.00 0.00 C ATOM 31 C LYS A 3 1.896 4.540 -3.642 1.00 0.00 C ATOM 32 O LYS A 3 1.869 5.538 -4.381 1.00 0.00 O ATOM 33 CB LYS A 3 1.385 2.566 -5.110 1.00 0.00 C ATOM 34 CG LYS A 3 0.020 2.264 -4.435 1.00 0.00 C ATOM 35 CD LYS A 3 -1.134 2.085 -5.453 1.00 0.00 C ATOM 36 CE LYS A 3 -1.454 3.391 -6.211 1.00 0.00 C ATOM 37 NZ LYS A 3 -2.551 3.221 -7.188 1.00 0.00 N ATOM 0 HA LYS A 3 3.361 3.394 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.217 3.238 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.786 1.638 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.111 1.359 -3.834 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.229 3.076 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.867 1.308 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.027 1.743 -4.930 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.726 4.166 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.559 3.736 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.729 4.125 -7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.283 2.501 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.414 2.918 -6.692 1.00 0.00 H new ATOM 51 N ILE A 4 1.437 4.532 -2.363 1.00 0.00 N ATOM 52 CA ILE A 4 0.828 5.699 -1.679 1.00 0.00 C ATOM 53 C ILE A 4 -0.558 6.023 -2.321 1.00 0.00 C ATOM 54 O ILE A 4 -1.052 5.254 -3.154 1.00 0.00 O ATOM 55 CB ILE A 4 1.834 6.951 -1.618 1.00 0.00 C ATOM 56 CG1 ILE A 4 3.253 6.492 -1.145 1.00 0.00 C ATOM 57 CG2 ILE A 4 1.339 8.106 -0.696 1.00 0.00 C ATOM 58 CD1 ILE A 4 3.297 5.856 0.236 1.00 0.00 C ATOM 0 H ILE A 4 1.481 3.702 -1.772 1.00 0.00 H new ATOM 0 HA ILE A 4 0.642 5.449 -0.635 1.00 0.00 H new ATOM 0 HB ILE A 4 1.877 7.344 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.648 5.779 -1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.918 7.355 -1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.068 8.916 -0.704 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.381 8.477 -1.060 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.221 7.734 0.322 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.322 5.572 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.938 6.570 0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.663 4.970 0.249 1.00 0.00 H new ATOM 70 N VAL A 5 -1.249 7.038 -1.790 1.00 0.00 N ATOM 71 CA VAL A 5 -2.344 7.761 -2.477 1.00 0.00 C ATOM 72 C VAL A 5 -2.290 9.231 -2.047 1.00 0.00 C ATOM 73 O VAL A 5 -2.456 10.134 -2.871 1.00 0.00 O ATOM 74 CB VAL A 5 -3.801 7.176 -2.213 1.00 0.00 C ATOM 75 CG1 VAL A 5 -4.099 5.961 -3.120 1.00 0.00 C ATOM 76 CG2 VAL A 5 -4.022 6.817 -0.725 1.00 0.00 C ATOM 0 H VAL A 5 -1.065 7.393 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.179 7.639 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.506 7.968 -2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.102 5.589 -2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.034 6.263 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.372 5.173 -2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.029 6.422 -0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.294 6.065 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.899 7.711 -0.113 1.00 0.00 H new ATOM 86 N GLY A 6 -2.088 9.444 -0.733 1.00 0.00 N ATOM 87 CA GLY A 6 -2.008 10.770 -0.147 1.00 0.00 C ATOM 88 C GLY A 6 -1.538 10.746 1.294 1.00 0.00 C ATOM 89 O GLY A 6 -0.870 9.808 1.727 1.00 0.00 O ATOM 0 H GLY A 6 -1.977 8.689 -0.056 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -1.326 11.383 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.988 11.245 -0.197 1.00 0.00 H new ATOM 93 N VAL A 7 -1.839 11.820 2.027 1.00 0.00 N ATOM 94 CA VAL A 7 -1.600 11.900 3.479 1.00 0.00 C ATOM 95 C VAL A 7 -2.936 12.206 4.191 1.00 0.00 C ATOM 96 O VAL A 7 -3.832 12.813 3.603 1.00 0.00 O ATOM 97 CB VAL A 7 -0.497 12.981 3.817 1.00 0.00 C ATOM 98 CG1 VAL A 7 -0.979 14.420 3.518 1.00 0.00 C ATOM 99 CG2 VAL A 7 0.025 12.848 5.271 1.00 0.00 C ATOM 0 H VAL A 7 -2.257 12.664 1.634 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.219 10.944 3.838 1.00 0.00 H new ATOM 0 HB VAL A 7 0.344 12.780 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.188 15.128 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.227 14.508 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.863 14.640 4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 7 0.781 13.611 5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.803 12.979 5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.464 11.860 5.411 1.00 0.00 H new ATOM 109 N THR A 8 -3.072 11.754 5.442 1.00 0.00 N ATOM 110 CA THR A 8 -4.266 11.976 6.266 1.00 0.00 C ATOM 111 C THR A 8 -3.864 12.677 7.576 1.00 0.00 C ATOM 112 O THR A 8 -2.849 12.327 8.193 1.00 0.00 O ATOM 113 CB THR A 8 -5.053 10.637 6.538 1.00 0.00 C ATOM 114 OG1 THR A 8 -6.196 10.881 7.381 1.00 0.00 O ATOM 115 CG2 THR A 8 -4.169 9.538 7.159 1.00 0.00 C ATOM 0 H THR A 8 -2.347 11.217 5.917 1.00 0.00 H new ATOM 0 HA THR A 8 -4.950 12.623 5.717 1.00 0.00 H new ATOM 0 HB THR A 8 -5.386 10.273 5.566 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.678 11.671 7.058 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.766 8.641 7.323 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.346 9.308 6.483 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.769 9.887 8.111 1.00 0.00 H new ATOM 123 N TYR A 9 -4.644 13.700 7.971 1.00 0.00 N ATOM 124 CA TYR A 9 -4.366 14.526 9.166 1.00 0.00 C ATOM 125 C TYR A 9 -5.648 14.797 9.958 1.00 0.00 C ATOM 126 O TYR A 9 -6.671 15.125 9.362 1.00 0.00 O ATOM 127 CB TYR A 9 -3.702 15.890 8.774 1.00 0.00 C ATOM 128 CG TYR A 9 -2.177 15.884 8.841 1.00 0.00 C ATOM 129 CD1 TYR A 9 -1.399 15.503 7.750 1.00 0.00 C ATOM 130 CD2 TYR A 9 -1.520 16.251 10.016 1.00 0.00 C ATOM 131 CE1 TYR A 9 -0.027 15.483 7.830 1.00 0.00 C ATOM 132 CE2 TYR A 9 -0.149 16.235 10.097 1.00 0.00 C ATOM 133 CZ TYR A 9 0.593 15.851 9.002 1.00 0.00 C ATOM 134 OH TYR A 9 1.966 15.818 9.094 1.00 0.00 O ATOM 0 H TYR A 9 -5.488 13.980 7.471 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.672 13.962 9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.009 16.154 7.762 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.081 16.669 9.435 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.882 15.219 6.827 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.099 16.553 10.876 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.562 15.180 6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 9 0.344 16.522 11.014 1.00 0.00 H new ATOM 0 HH TYR A 9 2.232 15.188 9.796 1.00 0.00 H new ATOM 144 N PRO A 10 -5.588 14.735 11.331 1.00 0.00 N ATOM 145 CA PRO A 10 -6.692 15.194 12.202 1.00 0.00 C ATOM 146 C PRO A 10 -6.775 16.732 12.261 1.00 0.00 C ATOM 147 O PRO A 10 -7.733 17.280 12.813 1.00 0.00 O ATOM 148 CB PRO A 10 -6.317 14.610 13.580 1.00 0.00 C ATOM 149 CG PRO A 10 -4.826 14.591 13.563 1.00 0.00 C ATOM 150 CD PRO A 10 -4.448 14.217 12.145 1.00 0.00 C ATOM 0 HA PRO A 10 -7.670 14.871 11.844 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.700 15.226 14.394 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.729 13.610 13.716 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.417 15.564 13.836 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -4.434 13.868 14.278 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.503 14.673 11.848 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.331 13.139 12.032 1.00 0.00 H new ATOM 158 N ILE A 11 -5.729 17.393 11.692 1.00 0.00 N ATOM 159 CA ILE A 11 -5.529 18.851 11.701 1.00 0.00 C ATOM 160 C ILE A 11 -5.307 19.330 13.164 1.00 0.00 C ATOM 161 O ILE A 11 -6.213 19.207 13.982 1.00 0.00 O ATOM 162 CB ILE A 11 -6.713 19.643 11.003 1.00 0.00 C ATOM 163 CG1 ILE A 11 -7.046 19.037 9.593 1.00 0.00 C ATOM 164 CG2 ILE A 11 -6.397 21.160 10.890 1.00 0.00 C ATOM 165 CD1 ILE A 11 -5.925 19.087 8.571 1.00 0.00 C ATOM 0 H ILE A 11 -4.983 16.900 11.201 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.642 19.071 11.108 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.593 19.534 11.636 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.344 17.997 9.727 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.908 19.566 9.185 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.230 21.670 10.407 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.246 21.575 11.886 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.493 21.300 10.297 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.265 18.642 7.636 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.638 20.124 8.396 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.066 18.531 8.946 1.00 0.00 H new ATOM 177 N PRO A 12 -4.105 19.903 13.525 1.00 0.00 N ATOM 178 CA PRO A 12 -3.755 20.232 14.948 1.00 0.00 C ATOM 179 C PRO A 12 -4.710 21.269 15.607 1.00 0.00 C ATOM 180 O PRO A 12 -4.670 21.481 16.826 1.00 0.00 O ATOM 181 CB PRO A 12 -2.301 20.782 14.837 1.00 0.00 C ATOM 182 CG PRO A 12 -2.181 21.255 13.417 1.00 0.00 C ATOM 183 CD PRO A 12 -3.004 20.283 12.599 1.00 0.00 C ATOM 0 HA PRO A 12 -3.849 19.361 15.596 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.130 21.596 15.541 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.567 20.008 15.060 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.554 22.273 13.309 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.141 21.260 13.091 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.386 20.746 11.689 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.417 19.416 12.294 1.00 0.00 H new ATOM 191 N LYS A 13 -5.554 21.908 14.780 1.00 0.00 N ATOM 192 CA LYS A 13 -6.565 22.893 15.213 1.00 0.00 C ATOM 193 C LYS A 13 -7.929 22.606 14.544 1.00 0.00 C ATOM 194 O LYS A 13 -8.050 21.695 13.716 1.00 0.00 O ATOM 195 CB LYS A 13 -6.076 24.329 14.877 1.00 0.00 C ATOM 196 CG LYS A 13 -4.882 24.818 15.731 1.00 0.00 C ATOM 197 CD LYS A 13 -4.441 26.258 15.384 1.00 0.00 C ATOM 198 CE LYS A 13 -3.418 26.811 16.391 1.00 0.00 C ATOM 199 NZ LYS A 13 -3.968 26.874 17.774 1.00 0.00 N ATOM 0 H LYS A 13 -5.554 21.753 13.772 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.699 22.811 16.292 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.793 24.366 13.825 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.907 25.022 15.008 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.153 24.771 16.786 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.039 24.142 15.588 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.008 26.272 14.384 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.315 26.909 15.362 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.528 26.182 16.384 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.107 27.808 16.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.367 27.489 18.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.934 27.259 17.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.988 25.918 18.184 1.00 0.00 H new ATOM 213 N ARG A 14 -8.952 23.406 14.915 1.00 0.00 N ATOM 214 CA ARG A 14 -10.328 23.303 14.367 1.00 0.00 C ATOM 215 C ARG A 14 -10.409 23.805 12.903 1.00 0.00 C ATOM 216 O ARG A 14 -11.429 23.617 12.232 1.00 0.00 O ATOM 217 CB ARG A 14 -11.300 24.081 15.314 1.00 0.00 C ATOM 218 CG ARG A 14 -12.823 24.023 14.968 1.00 0.00 C ATOM 219 CD ARG A 14 -13.333 25.245 14.172 1.00 0.00 C ATOM 220 NE ARG A 14 -14.724 25.074 13.710 1.00 0.00 N ATOM 221 CZ ARG A 14 -15.472 26.036 13.143 1.00 0.00 C ATOM 222 NH1 ARG A 14 -15.008 27.269 13.014 1.00 0.00 N ATOM 223 NH2 ARG A 14 -16.683 25.754 12.693 1.00 0.00 N ATOM 0 H ARG A 14 -8.849 24.147 15.608 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.626 22.255 14.332 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.167 23.697 16.326 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.995 25.127 15.327 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -13.020 23.119 14.392 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -13.393 23.942 15.894 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -13.267 26.136 14.797 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -12.685 25.411 13.311 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.151 24.155 13.830 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.072 27.499 13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -15.587 27.989 12.582 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.050 24.806 12.776 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.250 26.485 12.263 1.00 0.00 H new ATOM 237 N PHE A 15 -9.300 24.362 12.385 1.00 0.00 N ATOM 238 CA PHE A 15 -9.238 24.957 11.036 1.00 0.00 C ATOM 239 C PHE A 15 -9.237 23.902 9.898 1.00 0.00 C ATOM 240 O PHE A 15 -8.939 24.240 8.751 1.00 0.00 O ATOM 241 CB PHE A 15 -8.009 25.881 10.933 1.00 0.00 C ATOM 242 CG PHE A 15 -8.043 27.083 11.879 1.00 0.00 C ATOM 243 CD1 PHE A 15 -8.916 28.143 11.647 1.00 0.00 C ATOM 244 CD2 PHE A 15 -7.223 27.148 13.000 1.00 0.00 C ATOM 245 CE1 PHE A 15 -8.963 29.224 12.501 1.00 0.00 C ATOM 246 CE2 PHE A 15 -7.274 28.229 13.857 1.00 0.00 C ATOM 247 CZ PHE A 15 -8.145 29.265 13.608 1.00 0.00 C ATOM 0 H PHE A 15 -8.416 24.413 12.892 1.00 0.00 H new ATOM 0 HA PHE A 15 -10.149 25.539 10.899 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.112 25.297 11.139 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.926 26.243 9.908 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.566 28.118 10.785 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.536 26.340 13.203 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.642 30.040 12.302 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.630 28.262 14.723 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.187 30.109 14.280 1.00 0.00 H new ATOM 257 N MET A 16 -9.604 22.634 10.220 1.00 0.00 N ATOM 258 CA MET A 16 -10.122 21.670 9.217 1.00 0.00 C ATOM 259 C MET A 16 -11.356 22.285 8.524 1.00 0.00 C ATOM 260 O MET A 16 -11.603 22.054 7.341 1.00 0.00 O ATOM 261 CB MET A 16 -10.508 20.310 9.875 1.00 0.00 C ATOM 262 CG MET A 16 -11.633 20.378 10.926 1.00 0.00 C ATOM 263 SD MET A 16 -12.203 18.746 11.468 1.00 0.00 S ATOM 264 CE MET A 16 -10.731 18.056 12.223 1.00 0.00 C ATOM 0 H MET A 16 -9.550 22.257 11.166 1.00 0.00 H new ATOM 0 HA MET A 16 -9.337 21.472 8.488 1.00 0.00 H new ATOM 0 HB2 MET A 16 -10.810 19.619 9.089 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.620 19.889 10.346 1.00 0.00 H new ATOM 0 HG2 MET A 16 -11.279 20.938 11.792 1.00 0.00 H new ATOM 0 HG3 MET A 16 -12.476 20.931 10.511 1.00 0.00 H new ATOM 0 HE1 MET A 16 -10.982 17.119 12.720 1.00 0.00 H new ATOM 0 HE2 MET A 16 -9.981 17.870 11.454 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.333 18.759 12.955 1.00 0.00 H new ATOM 274 N ASP A 17 -12.093 23.098 9.317 1.00 0.00 N ATOM 275 CA ASP A 17 -13.242 23.908 8.880 1.00 0.00 C ATOM 276 C ASP A 17 -12.928 24.700 7.611 1.00 0.00 C ATOM 277 O ASP A 17 -13.728 24.710 6.689 1.00 0.00 O ATOM 278 CB ASP A 17 -13.640 24.893 10.013 1.00 0.00 C ATOM 279 CG ASP A 17 -14.719 25.929 9.610 1.00 0.00 C ATOM 280 OD1 ASP A 17 -15.924 25.630 9.725 1.00 0.00 O ATOM 281 OD2 ASP A 17 -14.357 27.050 9.183 1.00 0.00 O ATOM 0 H ASP A 17 -11.893 23.208 10.311 1.00 0.00 H new ATOM 0 HA ASP A 17 -14.065 23.229 8.659 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.005 24.319 10.865 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.749 25.425 10.345 1.00 0.00 H new ATOM 286 N ARG A 18 -11.750 25.343 7.593 1.00 0.00 N ATOM 287 CA ARG A 18 -11.334 26.263 6.516 1.00 0.00 C ATOM 288 C ARG A 18 -11.325 25.591 5.144 1.00 0.00 C ATOM 289 O ARG A 18 -11.721 26.208 4.151 1.00 0.00 O ATOM 290 CB ARG A 18 -9.957 26.865 6.845 1.00 0.00 C ATOM 291 CG ARG A 18 -9.960 27.808 8.055 1.00 0.00 C ATOM 292 CD ARG A 18 -10.860 29.036 7.854 1.00 0.00 C ATOM 293 NE ARG A 18 -10.797 29.947 9.007 1.00 0.00 N ATOM 294 CZ ARG A 18 -11.695 30.000 10.007 1.00 0.00 C ATOM 295 NH1 ARG A 18 -12.721 29.156 10.059 1.00 0.00 N ATOM 296 NH2 ARG A 18 -11.547 30.890 10.972 1.00 0.00 N ATOM 0 H ARG A 18 -11.052 25.240 8.330 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.072 27.063 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -9.253 26.054 7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.593 27.410 5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.294 27.259 8.936 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.941 28.139 8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.556 29.567 6.952 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.890 28.712 7.701 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.008 30.591 9.052 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.839 28.451 9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.390 29.214 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.755 31.532 10.956 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.225 30.935 11.733 1.00 0.00 H new ATOM 310 N PHE A 19 -10.933 24.315 5.109 1.00 0.00 N ATOM 311 CA PHE A 19 -10.896 23.528 3.866 1.00 0.00 C ATOM 312 C PHE A 19 -12.325 23.308 3.320 1.00 0.00 C ATOM 313 O PHE A 19 -12.537 23.266 2.108 1.00 0.00 O ATOM 314 CB PHE A 19 -10.195 22.170 4.127 1.00 0.00 C ATOM 315 CG PHE A 19 -8.763 22.272 4.654 1.00 0.00 C ATOM 316 CD1 PHE A 19 -8.511 22.460 6.009 1.00 0.00 C ATOM 317 CD2 PHE A 19 -7.668 22.158 3.796 1.00 0.00 C ATOM 318 CE1 PHE A 19 -7.224 22.536 6.491 1.00 0.00 C ATOM 319 CE2 PHE A 19 -6.380 22.230 4.280 1.00 0.00 C ATOM 320 CZ PHE A 19 -6.161 22.421 5.628 1.00 0.00 C ATOM 0 H PHE A 19 -10.633 23.797 5.935 1.00 0.00 H new ATOM 0 HA PHE A 19 -10.329 24.078 3.115 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.790 21.603 4.843 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.185 21.599 3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.340 22.548 6.695 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.833 22.011 2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.050 22.686 7.546 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.543 22.137 3.604 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.151 22.480 6.006 1.00 0.00 H new ATOM 330 N PHE A 20 -13.310 23.269 4.233 1.00 0.00 N ATOM 331 CA PHE A 20 -14.733 23.045 3.898 1.00 0.00 C ATOM 332 C PHE A 20 -15.505 24.390 3.830 1.00 0.00 C ATOM 333 O PHE A 20 -16.620 24.451 3.314 1.00 0.00 O ATOM 334 CB PHE A 20 -15.377 22.121 4.969 1.00 0.00 C ATOM 335 CG PHE A 20 -14.576 20.855 5.301 1.00 0.00 C ATOM 336 CD1 PHE A 20 -14.190 19.967 4.302 1.00 0.00 C ATOM 337 CD2 PHE A 20 -14.223 20.548 6.618 1.00 0.00 C ATOM 338 CE1 PHE A 20 -13.482 18.817 4.603 1.00 0.00 C ATOM 339 CE2 PHE A 20 -13.516 19.398 6.918 1.00 0.00 C ATOM 340 CZ PHE A 20 -13.146 18.532 5.910 1.00 0.00 C ATOM 0 H PHE A 20 -13.144 23.392 5.232 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.790 22.569 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -15.517 22.695 5.885 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -16.368 21.826 4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -14.447 20.179 3.275 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -14.507 21.220 7.414 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.192 18.141 3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -13.253 19.178 7.942 1.00 0.00 H new ATOM 0 HZ PHE A 20 -12.595 17.633 6.144 1.00 0.00 H new ATOM 350 N LYS A 21 -14.886 25.452 4.379 1.00 0.00 N ATOM 351 CA LYS A 21 -15.477 26.800 4.504 1.00 0.00 C ATOM 352 C LYS A 21 -15.410 27.536 3.161 1.00 0.00 C ATOM 353 O LYS A 21 -16.399 28.117 2.707 1.00 0.00 O ATOM 354 CB LYS A 21 -14.723 27.566 5.648 1.00 0.00 C ATOM 355 CG LYS A 21 -14.990 29.095 5.810 1.00 0.00 C ATOM 356 CD LYS A 21 -13.962 29.980 5.046 1.00 0.00 C ATOM 357 CE LYS A 21 -14.188 31.488 5.256 1.00 0.00 C ATOM 358 NZ LYS A 21 -15.530 31.926 4.784 1.00 0.00 N ATOM 0 H LYS A 21 -13.940 25.397 4.757 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.532 26.737 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.971 27.082 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.653 27.429 5.492 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.994 29.322 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.965 29.352 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.955 29.721 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.019 29.755 3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.081 31.726 6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.418 32.047 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.613 32.958 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.650 31.663 3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.267 31.464 5.354 1.00 0.00 H new ATOM 372 N LYS A 22 -14.220 27.502 2.544 1.00 0.00 N ATOM 373 CA LYS A 22 -13.946 28.176 1.255 1.00 0.00 C ATOM 374 C LYS A 22 -13.942 27.154 0.099 1.00 0.00 C ATOM 375 O LYS A 22 -13.941 27.536 -1.076 1.00 0.00 O ATOM 376 CB LYS A 22 -12.590 28.922 1.364 1.00 0.00 C ATOM 377 CG LYS A 22 -11.377 27.998 1.612 1.00 0.00 C ATOM 378 CD LYS A 22 -10.129 28.718 2.179 1.00 0.00 C ATOM 379 CE LYS A 22 -10.347 29.292 3.590 1.00 0.00 C ATOM 380 NZ LYS A 22 -9.069 29.731 4.204 1.00 0.00 N ATOM 0 H LYS A 22 -13.413 27.005 2.922 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.732 28.900 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.422 29.484 0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.652 29.648 2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.672 27.209 2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.107 27.514 0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.294 28.018 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.847 29.527 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.035 30.136 3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.815 28.537 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.255 30.128 5.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.428 28.917 4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.627 30.457 3.604 1.00 0.00 H new ATOM 394 N GLY A 23 -13.919 25.850 0.458 1.00 0.00 N ATOM 395 CA GLY A 23 -13.985 24.751 -0.516 1.00 0.00 C ATOM 396 C GLY A 23 -12.621 24.318 -1.059 1.00 0.00 C ATOM 397 O GLY A 23 -12.506 23.248 -1.672 1.00 0.00 O ATOM 0 H GLY A 23 -13.854 25.538 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.467 23.893 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.617 25.056 -1.350 1.00 0.00 H new ATOM 401 N LYS A 24 -11.588 25.152 -0.826 1.00 0.00 N ATOM 402 CA LYS A 24 -10.233 24.953 -1.372 1.00 0.00 C ATOM 403 C LYS A 24 -9.230 25.842 -0.596 1.00 0.00 C ATOM 404 O LYS A 24 -9.289 27.076 -0.658 1.00 0.00 O ATOM 405 CB LYS A 24 -10.245 25.236 -2.903 1.00 0.00 C ATOM 406 CG LYS A 24 -10.775 26.635 -3.311 1.00 0.00 C ATOM 407 CD LYS A 24 -11.156 26.752 -4.806 1.00 0.00 C ATOM 408 CE LYS A 24 -10.019 26.359 -5.763 1.00 0.00 C ATOM 409 NZ LYS A 24 -8.801 27.202 -5.599 1.00 0.00 N ATOM 0 H LYS A 24 -11.673 25.989 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.909 23.920 -1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -9.230 25.124 -3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.856 24.477 -3.392 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.649 26.872 -2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.015 27.382 -3.081 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.021 26.118 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.458 27.778 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -9.756 25.314 -5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.373 26.438 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.058 26.869 -6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.032 28.192 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.462 27.134 -4.618 1.00 0.00 H new ATOM 423 N ASP A 25 -8.303 25.191 0.127 1.00 0.00 N ATOM 424 CA ASP A 25 -7.504 25.815 1.211 1.00 0.00 C ATOM 425 C ASP A 25 -6.005 25.436 1.062 1.00 0.00 C ATOM 426 O ASP A 25 -5.630 24.867 0.059 1.00 0.00 O ATOM 427 CB ASP A 25 -8.128 25.340 2.551 1.00 0.00 C ATOM 428 CG ASP A 25 -7.566 25.983 3.827 1.00 0.00 C ATOM 429 OD1 ASP A 25 -8.077 27.027 4.254 1.00 0.00 O ATOM 430 OD2 ASP A 25 -6.601 25.452 4.395 1.00 0.00 O ATOM 0 H ASP A 25 -8.080 24.207 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.532 26.904 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.201 25.530 2.516 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.998 24.260 2.626 1.00 0.00 H new ATOM 435 N VAL A 26 -5.132 25.832 2.010 1.00 0.00 N ATOM 436 CA VAL A 26 -3.693 25.465 2.012 1.00 0.00 C ATOM 437 C VAL A 26 -3.272 25.051 3.435 1.00 0.00 C ATOM 438 O VAL A 26 -3.361 25.856 4.366 1.00 0.00 O ATOM 439 CB VAL A 26 -2.768 26.647 1.494 1.00 0.00 C ATOM 440 CG1 VAL A 26 -1.256 26.328 1.679 1.00 0.00 C ATOM 441 CG2 VAL A 26 -3.076 26.983 0.016 1.00 0.00 C ATOM 0 H VAL A 26 -5.402 26.418 2.800 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.562 24.630 1.324 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.995 27.522 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.660 27.163 1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.044 26.169 2.736 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.003 25.428 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.429 27.796 -0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.898 26.103 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.118 27.288 -0.078 1.00 0.00 H new ATOM 451 N PHE A 27 -2.812 23.794 3.590 1.00 0.00 N ATOM 452 CA PHE A 27 -2.337 23.258 4.880 1.00 0.00 C ATOM 453 C PHE A 27 -0.817 23.437 4.993 1.00 0.00 C ATOM 454 O PHE A 27 -0.065 22.843 4.220 1.00 0.00 O ATOM 455 CB PHE A 27 -2.706 21.755 5.036 1.00 0.00 C ATOM 456 CG PHE A 27 -2.422 21.183 6.425 1.00 0.00 C ATOM 457 CD1 PHE A 27 -3.227 21.524 7.508 1.00 0.00 C ATOM 458 CD2 PHE A 27 -1.366 20.303 6.646 1.00 0.00 C ATOM 459 CE1 PHE A 27 -2.984 21.011 8.762 1.00 0.00 C ATOM 460 CE2 PHE A 27 -1.132 19.786 7.901 1.00 0.00 C ATOM 461 CZ PHE A 27 -1.937 20.139 8.958 1.00 0.00 C ATOM 0 H PHE A 27 -2.759 23.122 2.824 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.829 23.813 5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.765 21.627 4.812 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.151 21.177 4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.055 22.202 7.362 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.723 20.023 5.824 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.615 21.293 9.592 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.312 19.100 8.055 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.748 19.733 9.941 1.00 0.00 H new ATOM 471 N VAL A 28 -0.366 24.248 5.960 1.00 0.00 N ATOM 472 CA VAL A 28 1.068 24.453 6.216 1.00 0.00 C ATOM 473 C VAL A 28 1.582 23.491 7.306 1.00 0.00 C ATOM 474 O VAL A 28 0.874 23.150 8.263 1.00 0.00 O ATOM 475 CB VAL A 28 1.400 25.945 6.582 1.00 0.00 C ATOM 476 CG1 VAL A 28 1.128 26.868 5.374 1.00 0.00 C ATOM 477 CG2 VAL A 28 0.620 26.426 7.829 1.00 0.00 C ATOM 0 H VAL A 28 -0.978 24.776 6.582 1.00 0.00 H new ATOM 0 HA VAL A 28 1.590 24.227 5.286 1.00 0.00 H new ATOM 0 HB VAL A 28 2.460 25.994 6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.363 27.898 5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.751 26.561 4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.078 26.797 5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.881 27.462 8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.451 26.354 7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.879 25.801 8.684 1.00 0.00 H new ATOM 487 N LYS A 29 2.822 23.044 7.099 1.00 0.00 N ATOM 488 CA LYS A 29 3.576 22.139 7.976 1.00 0.00 C ATOM 489 C LYS A 29 4.968 22.740 8.236 1.00 0.00 C ATOM 490 O LYS A 29 5.583 23.235 7.304 1.00 0.00 O ATOM 491 CB LYS A 29 3.727 20.737 7.291 1.00 0.00 C ATOM 492 CG LYS A 29 2.445 19.871 7.241 1.00 0.00 C ATOM 493 CD LYS A 29 2.302 18.907 8.447 1.00 0.00 C ATOM 494 CE LYS A 29 2.120 19.590 9.819 1.00 0.00 C ATOM 495 NZ LYS A 29 2.230 18.620 10.941 1.00 0.00 N ATOM 0 H LYS A 29 3.357 23.316 6.274 1.00 0.00 H new ATOM 0 HA LYS A 29 3.044 22.016 8.919 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.081 20.888 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.500 20.178 7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.575 20.526 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.445 19.289 6.319 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.448 18.253 8.269 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.187 18.272 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.872 20.370 9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.146 20.078 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.920 19.074 11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.628 17.795 10.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.219 18.312 11.038 1.00 0.00 H new ATOM 509 N PRO A 30 5.491 22.729 9.495 1.00 0.00 N ATOM 510 CA PRO A 30 6.922 23.025 9.766 1.00 0.00 C ATOM 511 C PRO A 30 7.820 21.806 9.426 1.00 0.00 C ATOM 512 O PRO A 30 8.608 21.360 10.262 1.00 0.00 O ATOM 513 CB PRO A 30 6.916 23.365 11.282 1.00 0.00 C ATOM 514 CG PRO A 30 5.775 22.567 11.844 1.00 0.00 C ATOM 515 CD PRO A 30 4.724 22.510 10.749 1.00 0.00 C ATOM 0 HA PRO A 30 7.331 23.833 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.860 23.093 11.753 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.773 24.433 11.448 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.101 21.565 12.125 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.376 23.036 12.743 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.211 21.548 10.739 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.962 23.276 10.888 1.00 0.00 H new ATOM 523 N ALA A 31 7.704 21.323 8.163 1.00 0.00 N ATOM 524 CA ALA A 31 8.308 20.058 7.675 1.00 0.00 C ATOM 525 C ALA A 31 7.989 18.855 8.601 1.00 0.00 C ATOM 526 O ALA A 31 8.671 18.633 9.605 1.00 0.00 O ATOM 527 CB ALA A 31 9.829 20.198 7.440 1.00 0.00 C ATOM 0 H ALA A 31 7.177 21.813 7.440 1.00 0.00 H new ATOM 0 HA ALA A 31 7.845 19.849 6.711 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.231 19.250 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 31 10.012 20.973 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 31 10.318 20.471 8.375 1.00 0.00 H new ATOM 533 N THR A 32 6.931 18.101 8.267 1.00 0.00 N ATOM 534 CA THR A 32 6.551 16.870 8.997 1.00 0.00 C ATOM 535 C THR A 32 6.428 15.707 8.002 1.00 0.00 C ATOM 536 O THR A 32 7.013 14.633 8.197 1.00 0.00 O ATOM 537 CB THR A 32 5.199 17.057 9.768 1.00 0.00 C ATOM 538 OG1 THR A 32 5.246 18.252 10.571 1.00 0.00 O ATOM 539 CG2 THR A 32 4.854 15.854 10.669 1.00 0.00 C ATOM 0 H THR A 32 6.313 18.322 7.486 1.00 0.00 H new ATOM 0 HA THR A 32 7.327 16.652 9.731 1.00 0.00 H new ATOM 0 HB THR A 32 4.418 17.138 9.012 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.116 18.018 11.514 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.908 16.040 11.178 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.767 14.955 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.642 15.716 11.409 1.00 0.00 H new ATOM 547 N VAL A 33 5.660 15.946 6.927 1.00 0.00 N ATOM 548 CA VAL A 33 5.407 14.963 5.869 1.00 0.00 C ATOM 549 C VAL A 33 5.881 15.536 4.519 1.00 0.00 C ATOM 550 O VAL A 33 5.273 16.448 3.972 1.00 0.00 O ATOM 551 CB VAL A 33 3.878 14.551 5.826 1.00 0.00 C ATOM 552 CG1 VAL A 33 3.505 13.699 7.063 1.00 0.00 C ATOM 553 CG2 VAL A 33 2.934 15.784 5.724 1.00 0.00 C ATOM 0 H VAL A 33 5.193 16.839 6.769 1.00 0.00 H new ATOM 0 HA VAL A 33 5.971 14.054 6.080 1.00 0.00 H new ATOM 0 HB VAL A 33 3.739 13.956 4.924 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.451 13.427 7.013 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.113 12.794 7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.689 14.275 7.970 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.898 15.448 5.698 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.084 16.430 6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.158 16.340 4.813 1.00 0.00 H new ATOM 563 N TRP A 34 6.996 15.004 4.001 1.00 0.00 N ATOM 564 CA TRP A 34 7.588 15.449 2.714 1.00 0.00 C ATOM 565 C TRP A 34 8.247 14.276 1.958 1.00 0.00 C ATOM 566 O TRP A 34 8.798 14.471 0.868 1.00 0.00 O ATOM 567 CB TRP A 34 8.598 16.618 2.950 1.00 0.00 C ATOM 568 CG TRP A 34 9.676 16.319 3.977 1.00 0.00 C ATOM 569 CD1 TRP A 34 9.633 16.602 5.317 1.00 0.00 C ATOM 570 CD2 TRP A 34 10.949 15.684 3.748 1.00 0.00 C ATOM 571 NE1 TRP A 34 10.781 16.168 5.926 1.00 0.00 N ATOM 572 CE2 TRP A 34 11.605 15.610 4.988 1.00 0.00 C ATOM 573 CE3 TRP A 34 11.596 15.178 2.613 1.00 0.00 C ATOM 574 CZ2 TRP A 34 12.867 15.034 5.130 1.00 0.00 C ATOM 575 CZ3 TRP A 34 12.846 14.611 2.754 1.00 0.00 C ATOM 576 CH2 TRP A 34 13.475 14.547 4.005 1.00 0.00 C ATOM 0 H TRP A 34 7.519 14.254 4.454 1.00 0.00 H new ATOM 0 HA TRP A 34 6.781 15.822 2.083 1.00 0.00 H new ATOM 0 HB2 TRP A 34 9.075 16.866 2.002 1.00 0.00 H new ATOM 0 HB3 TRP A 34 8.044 17.501 3.269 1.00 0.00 H new ATOM 0 HD1 TRP A 34 8.814 17.095 5.820 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.988 16.248 6.921 1.00 0.00 H new ATOM 0 HE3 TRP A 34 11.124 15.231 1.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 13.348 14.974 6.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 13.348 14.210 1.886 1.00 0.00 H new ATOM 0 HH2 TRP A 34 14.457 14.105 4.082 1.00 0.00 H new ATOM 587 N LYS A 35 8.170 13.061 2.541 1.00 0.00 N ATOM 588 CA LYS A 35 8.774 11.843 1.957 1.00 0.00 C ATOM 589 C LYS A 35 8.096 11.500 0.624 1.00 0.00 C ATOM 590 O LYS A 35 8.752 11.336 -0.409 1.00 0.00 O ATOM 591 CB LYS A 35 8.632 10.634 2.926 1.00 0.00 C ATOM 592 CG LYS A 35 9.232 10.852 4.328 1.00 0.00 C ATOM 593 CD LYS A 35 9.146 9.599 5.247 1.00 0.00 C ATOM 594 CE LYS A 35 10.222 8.527 4.952 1.00 0.00 C ATOM 595 NZ LYS A 35 10.104 7.895 3.611 1.00 0.00 N ATOM 0 H LYS A 35 7.690 12.896 3.426 1.00 0.00 H new ATOM 0 HA LYS A 35 9.832 12.043 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.574 10.395 3.033 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.111 9.766 2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.277 11.145 4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.715 11.681 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.239 9.916 6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.159 9.148 5.138 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.208 8.984 5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.162 7.750 5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.431 6.909 3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.111 7.915 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.688 8.418 2.928 1.00 0.00 H new ATOM 609 N GLU A 36 6.762 11.396 0.684 1.00 0.00 N ATOM 610 CA GLU A 36 5.915 10.998 -0.456 1.00 0.00 C ATOM 611 C GLU A 36 5.096 12.203 -0.965 1.00 0.00 C ATOM 612 O GLU A 36 4.438 12.113 -2.006 1.00 0.00 O ATOM 613 CB GLU A 36 4.962 9.848 -0.014 1.00 0.00 C ATOM 614 CG GLU A 36 5.639 8.709 0.789 1.00 0.00 C ATOM 615 CD GLU A 36 6.802 8.021 0.046 1.00 0.00 C ATOM 616 OE1 GLU A 36 6.546 7.264 -0.914 1.00 0.00 O ATOM 617 OE2 GLU A 36 7.976 8.221 0.423 1.00 0.00 O ATOM 0 H GLU A 36 6.231 11.587 1.534 1.00 0.00 H new ATOM 0 HA GLU A 36 6.551 10.649 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.161 10.273 0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.498 9.420 -0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.012 9.114 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.888 7.960 1.040 1.00 0.00 H new ATOM 624 N LEU A 37 5.151 13.328 -0.214 1.00 0.00 N ATOM 625 CA LEU A 37 4.308 14.517 -0.460 1.00 0.00 C ATOM 626 C LEU A 37 4.657 15.168 -1.817 1.00 0.00 C ATOM 627 O LEU A 37 5.713 15.793 -1.957 1.00 0.00 O ATOM 628 CB LEU A 37 4.438 15.546 0.719 1.00 0.00 C ATOM 629 CG LEU A 37 3.104 16.099 1.314 1.00 0.00 C ATOM 630 CD1 LEU A 37 2.206 16.709 0.233 1.00 0.00 C ATOM 631 CD2 LEU A 37 2.359 15.016 2.108 1.00 0.00 C ATOM 0 H LEU A 37 5.783 13.435 0.580 1.00 0.00 H new ATOM 0 HA LEU A 37 3.268 14.195 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.000 15.073 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.032 16.391 0.370 1.00 0.00 H new ATOM 0 HG LEU A 37 3.367 16.900 2.004 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.289 17.082 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.730 17.532 -0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.960 15.948 -0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.435 15.431 2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.125 14.179 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.988 14.669 2.928 1.00 0.00 H new ATOM 643 N LYS A 38 3.762 15.005 -2.806 1.00 0.00 N ATOM 644 CA LYS A 38 3.934 15.573 -4.152 1.00 0.00 C ATOM 645 C LYS A 38 2.605 16.202 -4.632 1.00 0.00 C ATOM 646 O LYS A 38 1.525 15.729 -4.237 1.00 0.00 O ATOM 647 CB LYS A 38 4.464 14.466 -5.134 1.00 0.00 C ATOM 648 CG LYS A 38 3.475 13.318 -5.508 1.00 0.00 C ATOM 649 CD LYS A 38 2.588 13.632 -6.744 1.00 0.00 C ATOM 650 CE LYS A 38 3.406 13.841 -8.029 1.00 0.00 C ATOM 651 NZ LYS A 38 2.548 14.170 -9.190 1.00 0.00 N ATOM 0 H LYS A 38 2.898 14.475 -2.693 1.00 0.00 H new ATOM 0 HA LYS A 38 4.678 16.369 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.780 14.954 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.352 14.017 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.045 12.409 -5.703 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.831 13.113 -4.653 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.883 12.814 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.999 14.527 -6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.127 14.644 -7.873 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.977 12.938 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.143 14.319 -10.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.888 13.386 -9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.009 15.037 -8.989 1.00 0.00 H new ATOM 665 N PRO A 39 2.660 17.242 -5.529 1.00 0.00 N ATOM 666 CA PRO A 39 1.452 17.881 -6.096 1.00 0.00 C ATOM 667 C PRO A 39 0.722 16.933 -7.077 1.00 0.00 C ATOM 668 O PRO A 39 1.184 16.703 -8.204 1.00 0.00 O ATOM 669 CB PRO A 39 2.015 19.138 -6.809 1.00 0.00 C ATOM 670 CG PRO A 39 3.414 18.755 -7.183 1.00 0.00 C ATOM 671 CD PRO A 39 3.907 17.866 -6.063 1.00 0.00 C ATOM 0 HA PRO A 39 0.703 18.129 -5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.424 19.395 -7.688 1.00 0.00 H new ATOM 0 HB3 PRO A 39 2.003 20.007 -6.152 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.434 18.230 -8.138 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.046 19.637 -7.291 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.606 17.114 -6.428 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.427 18.440 -5.296 1.00 0.00 H new ATOM 679 N GLY A 40 -0.376 16.333 -6.602 1.00 0.00 N ATOM 680 CA GLY A 40 -1.156 15.379 -7.392 1.00 0.00 C ATOM 681 C GLY A 40 -1.828 14.321 -6.535 1.00 0.00 C ATOM 682 O GLY A 40 -2.791 13.673 -6.975 1.00 0.00 O ATOM 0 H GLY A 40 -0.745 16.495 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.915 15.918 -7.959 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.502 14.893 -8.116 1.00 0.00 H new ATOM 686 N MET A 41 -1.318 14.136 -5.304 1.00 0.00 N ATOM 687 CA MET A 41 -1.888 13.178 -4.340 1.00 0.00 C ATOM 688 C MET A 41 -3.200 13.709 -3.736 1.00 0.00 C ATOM 689 O MET A 41 -3.687 14.776 -4.112 1.00 0.00 O ATOM 690 CB MET A 41 -0.872 12.866 -3.207 1.00 0.00 C ATOM 691 CG MET A 41 0.417 12.156 -3.652 1.00 0.00 C ATOM 692 SD MET A 41 1.246 11.281 -2.297 1.00 0.00 S ATOM 693 CE MET A 41 1.282 12.515 -0.996 1.00 0.00 C ATOM 0 H MET A 41 -0.506 14.642 -4.952 1.00 0.00 H new ATOM 0 HA MET A 41 -2.106 12.258 -4.882 1.00 0.00 H new ATOM 0 HB2 MET A 41 -0.601 13.802 -2.718 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.367 12.247 -2.459 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.180 11.446 -4.444 1.00 0.00 H new ATOM 0 HG3 MET A 41 1.102 12.890 -4.076 1.00 0.00 H new ATOM 0 HE1 MET A 41 2.167 12.365 -0.377 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.313 13.510 -1.439 1.00 0.00 H new ATOM 0 HE3 MET A 41 0.388 12.420 -0.380 1.00 0.00 H new ATOM 703 N LYS A 42 -3.777 12.931 -2.813 1.00 0.00 N ATOM 704 CA LYS A 42 -4.954 13.342 -2.029 1.00 0.00 C ATOM 705 C LYS A 42 -4.552 13.724 -0.600 1.00 0.00 C ATOM 706 O LYS A 42 -3.477 13.372 -0.128 1.00 0.00 O ATOM 707 CB LYS A 42 -6.025 12.226 -1.983 1.00 0.00 C ATOM 708 CG LYS A 42 -5.498 10.820 -1.653 1.00 0.00 C ATOM 709 CD LYS A 42 -6.623 9.828 -1.288 1.00 0.00 C ATOM 710 CE LYS A 42 -7.758 9.803 -2.326 1.00 0.00 C ATOM 711 NZ LYS A 42 -8.823 8.841 -1.962 1.00 0.00 N ATOM 0 H LYS A 42 -3.442 11.995 -2.586 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.382 14.212 -2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.776 12.497 -1.241 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.529 12.189 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.944 10.435 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.795 10.886 -0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.202 8.827 -1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.034 10.094 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.187 10.801 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.351 9.540 -3.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.221 8.421 -2.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.423 8.090 -1.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.574 9.336 -1.440 1.00 0.00 H new ATOM 725 N PHE A 43 -5.444 14.431 0.085 1.00 0.00 N ATOM 726 CA PHE A 43 -5.278 14.787 1.503 1.00 0.00 C ATOM 727 C PHE A 43 -6.606 14.508 2.195 1.00 0.00 C ATOM 728 O PHE A 43 -7.559 15.274 2.046 1.00 0.00 O ATOM 729 CB PHE A 43 -4.868 16.271 1.649 1.00 0.00 C ATOM 730 CG PHE A 43 -4.339 16.720 3.022 1.00 0.00 C ATOM 731 CD1 PHE A 43 -5.128 16.641 4.170 1.00 0.00 C ATOM 732 CD2 PHE A 43 -3.051 17.251 3.153 1.00 0.00 C ATOM 733 CE1 PHE A 43 -4.651 17.064 5.392 1.00 0.00 C ATOM 734 CE2 PHE A 43 -2.580 17.676 4.377 1.00 0.00 C ATOM 735 CZ PHE A 43 -3.379 17.581 5.495 1.00 0.00 C ATOM 0 H PHE A 43 -6.311 14.779 -0.324 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.484 14.197 1.961 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.101 16.485 0.905 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -5.733 16.887 1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.129 16.242 4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.417 17.329 2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -5.276 16.990 6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.583 18.084 4.459 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.007 17.912 6.453 1.00 0.00 H new ATOM 745 N VAL A 44 -6.678 13.391 2.911 1.00 0.00 N ATOM 746 CA VAL A 44 -7.898 12.965 3.588 1.00 0.00 C ATOM 747 C VAL A 44 -7.939 13.535 5.009 1.00 0.00 C ATOM 748 O VAL A 44 -7.013 13.347 5.803 1.00 0.00 O ATOM 749 CB VAL A 44 -8.022 11.409 3.580 1.00 0.00 C ATOM 750 CG1 VAL A 44 -9.339 10.945 4.234 1.00 0.00 C ATOM 751 CG2 VAL A 44 -7.906 10.878 2.130 1.00 0.00 C ATOM 0 H VAL A 44 -5.891 12.755 3.039 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.759 13.357 3.047 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.205 10.997 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.393 9.857 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.373 11.289 5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.184 11.361 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.993 9.792 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.703 11.305 1.521 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.940 11.163 1.714 1.00 0.00 H new ATOM 761 N PHE A 45 -9.015 14.260 5.306 1.00 0.00 N ATOM 762 CA PHE A 45 -9.205 14.919 6.595 1.00 0.00 C ATOM 763 C PHE A 45 -9.797 13.932 7.596 1.00 0.00 C ATOM 764 O PHE A 45 -10.925 13.456 7.435 1.00 0.00 O ATOM 765 CB PHE A 45 -10.087 16.178 6.422 1.00 0.00 C ATOM 766 CG PHE A 45 -9.447 17.159 5.453 1.00 0.00 C ATOM 767 CD1 PHE A 45 -8.424 17.999 5.874 1.00 0.00 C ATOM 768 CD2 PHE A 45 -9.815 17.190 4.113 1.00 0.00 C ATOM 769 CE1 PHE A 45 -7.798 18.840 4.986 1.00 0.00 C ATOM 770 CE2 PHE A 45 -9.181 18.024 3.230 1.00 0.00 C ATOM 771 CZ PHE A 45 -8.176 18.850 3.662 1.00 0.00 C ATOM 0 H PHE A 45 -9.785 14.407 4.654 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.243 15.249 6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -11.072 15.889 6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -10.235 16.659 7.389 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.118 17.991 6.910 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.611 16.549 3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.009 19.494 5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.474 18.031 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.681 19.509 2.964 1.00 0.00 H new ATOM 781 N TYR A 46 -8.967 13.585 8.578 1.00 0.00 N ATOM 782 CA TYR A 46 -9.324 12.733 9.702 1.00 0.00 C ATOM 783 C TYR A 46 -10.013 13.604 10.774 1.00 0.00 C ATOM 784 O TYR A 46 -9.588 14.735 11.024 1.00 0.00 O ATOM 785 CB TYR A 46 -8.025 12.051 10.226 1.00 0.00 C ATOM 786 CG TYR A 46 -8.200 11.026 11.359 1.00 0.00 C ATOM 787 CD1 TYR A 46 -8.582 9.710 11.093 1.00 0.00 C ATOM 788 CD2 TYR A 46 -7.960 11.368 12.689 1.00 0.00 C ATOM 789 CE1 TYR A 46 -8.724 8.787 12.110 1.00 0.00 C ATOM 790 CE2 TYR A 46 -8.097 10.447 13.707 1.00 0.00 C ATOM 791 CZ TYR A 46 -8.481 9.160 13.414 1.00 0.00 C ATOM 792 OH TYR A 46 -8.616 8.241 14.429 1.00 0.00 O ATOM 0 H TYR A 46 -7.998 13.901 8.611 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.023 11.947 9.417 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -7.538 11.553 9.387 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.346 12.830 10.572 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -8.770 9.408 10.073 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.660 12.378 12.928 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.025 7.775 11.884 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.903 10.736 14.729 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.406 8.667 15.286 1.00 0.00 H new ATOM 896 N PHE A 54 -12.873 9.527 8.865 1.00 0.00 N ATOM 897 CA PHE A 54 -12.639 10.421 7.712 1.00 0.00 C ATOM 898 C PHE A 54 -13.822 11.400 7.539 1.00 0.00 C ATOM 899 O PHE A 54 -14.882 11.016 7.047 1.00 0.00 O ATOM 900 CB PHE A 54 -12.399 9.577 6.432 1.00 0.00 C ATOM 901 CG PHE A 54 -11.101 8.746 6.408 1.00 0.00 C ATOM 902 CD1 PHE A 54 -9.990 9.087 7.194 1.00 0.00 C ATOM 903 CD2 PHE A 54 -10.979 7.647 5.553 1.00 0.00 C ATOM 904 CE1 PHE A 54 -8.817 8.354 7.128 1.00 0.00 C ATOM 905 CE2 PHE A 54 -9.801 6.922 5.485 1.00 0.00 C ATOM 906 CZ PHE A 54 -8.721 7.274 6.269 1.00 0.00 C ATOM 0 HA PHE A 54 -11.746 11.019 7.894 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.243 8.900 6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.394 10.248 5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -10.051 9.934 7.861 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.817 7.359 4.936 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.976 8.626 7.748 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -9.727 6.078 4.816 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.803 6.708 6.212 1.00 0.00 H new ATOM 916 N VAL A 55 -13.626 12.663 7.972 1.00 0.00 N ATOM 917 CA VAL A 55 -14.646 13.733 7.875 1.00 0.00 C ATOM 918 C VAL A 55 -14.699 14.331 6.448 1.00 0.00 C ATOM 919 O VAL A 55 -15.699 14.955 6.054 1.00 0.00 O ATOM 920 CB VAL A 55 -14.372 14.856 8.949 1.00 0.00 C ATOM 921 CG1 VAL A 55 -13.039 15.602 8.697 1.00 0.00 C ATOM 922 CG2 VAL A 55 -15.551 15.842 9.094 1.00 0.00 C ATOM 0 H VAL A 55 -12.754 12.972 8.400 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.621 13.291 8.082 1.00 0.00 H new ATOM 0 HB VAL A 55 -14.275 14.336 9.902 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.898 16.364 9.463 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.212 14.893 8.734 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -13.067 16.075 7.716 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.307 16.593 9.846 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -15.735 16.332 8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.445 15.298 9.401 1.00 0.00 H new ATOM 932 N GLY A 56 -13.615 14.127 5.676 1.00 0.00 N ATOM 933 CA GLY A 56 -13.555 14.571 4.284 1.00 0.00 C ATOM 934 C GLY A 56 -12.253 14.168 3.611 1.00 0.00 C ATOM 935 O GLY A 56 -11.483 13.390 4.175 1.00 0.00 O ATOM 0 H GLY A 56 -12.771 13.656 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.394 14.147 3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.663 15.655 4.245 1.00 0.00 H new ATOM 939 N GLU A 57 -12.025 14.680 2.390 1.00 0.00 N ATOM 940 CA GLU A 57 -10.744 14.537 1.664 1.00 0.00 C ATOM 941 C GLU A 57 -10.568 15.703 0.683 1.00 0.00 C ATOM 942 O GLU A 57 -11.416 16.582 0.622 1.00 0.00 O ATOM 943 CB GLU A 57 -10.609 13.172 0.932 1.00 0.00 C ATOM 944 CG GLU A 57 -11.542 12.949 -0.276 1.00 0.00 C ATOM 945 CD GLU A 57 -11.207 11.688 -1.107 1.00 0.00 C ATOM 946 OE1 GLU A 57 -10.613 10.724 -0.562 1.00 0.00 O ATOM 947 OE2 GLU A 57 -11.517 11.664 -2.317 1.00 0.00 O ATOM 0 H GLU A 57 -12.727 15.209 1.872 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.947 14.562 2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.579 13.066 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.790 12.377 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.569 12.874 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.493 13.823 -0.926 1.00 0.00 H new ATOM 954 N ALA A 58 -9.434 15.722 -0.037 1.00 0.00 N ATOM 955 CA ALA A 58 -9.097 16.783 -1.007 1.00 0.00 C ATOM 956 C ALA A 58 -7.943 16.334 -1.908 1.00 0.00 C ATOM 957 O ALA A 58 -7.562 15.165 -1.896 1.00 0.00 O ATOM 958 CB ALA A 58 -8.743 18.076 -0.273 1.00 0.00 C ATOM 0 H ALA A 58 -8.719 14.998 0.036 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.966 16.973 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.496 18.851 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.594 18.399 0.327 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.886 17.902 0.377 1.00 0.00 H new ATOM 964 N ARG A 59 -7.411 17.267 -2.720 1.00 0.00 N ATOM 965 CA ARG A 59 -6.283 17.009 -3.630 1.00 0.00 C ATOM 966 C ARG A 59 -5.116 17.962 -3.356 1.00 0.00 C ATOM 967 O ARG A 59 -5.271 19.185 -3.391 1.00 0.00 O ATOM 968 CB ARG A 59 -6.749 17.102 -5.109 1.00 0.00 C ATOM 969 CG ARG A 59 -7.514 15.853 -5.584 1.00 0.00 C ATOM 970 CD ARG A 59 -6.626 14.593 -5.554 1.00 0.00 C ATOM 971 NE ARG A 59 -7.353 13.390 -5.967 1.00 0.00 N ATOM 972 CZ ARG A 59 -6.786 12.249 -6.370 1.00 0.00 C ATOM 973 NH1 ARG A 59 -5.460 12.135 -6.473 1.00 0.00 N ATOM 974 NH2 ARG A 59 -7.558 11.222 -6.674 1.00 0.00 N ATOM 0 H ARG A 59 -7.755 18.226 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.924 15.996 -3.447 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -7.387 17.978 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.879 17.252 -5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.387 15.698 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.881 16.015 -6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.769 14.740 -6.211 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.235 14.451 -4.546 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.372 13.426 -5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.861 12.927 -6.242 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -5.046 11.256 -6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.572 11.306 -6.600 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -7.141 10.344 -6.983 1.00 0.00 H new ATOM 988 N ILE A 60 -3.958 17.361 -3.062 1.00 0.00 N ATOM 989 CA ILE A 60 -2.692 18.060 -2.864 1.00 0.00 C ATOM 990 C ILE A 60 -2.173 18.656 -4.183 1.00 0.00 C ATOM 991 O ILE A 60 -2.192 18.014 -5.236 1.00 0.00 O ATOM 992 CB ILE A 60 -1.633 17.086 -2.235 1.00 0.00 C ATOM 993 CG1 ILE A 60 -2.019 16.753 -0.757 1.00 0.00 C ATOM 994 CG2 ILE A 60 -0.185 17.640 -2.329 1.00 0.00 C ATOM 995 CD1 ILE A 60 -1.299 15.555 -0.165 1.00 0.00 C ATOM 0 H ILE A 60 -3.878 16.350 -2.953 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.860 18.887 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.646 16.165 -2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.813 17.626 -0.137 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.093 16.574 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.507 16.928 -1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.079 17.792 -3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.124 18.590 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.631 15.402 0.862 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.524 14.667 -0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.224 15.735 -0.175 1.00 0.00 H new ATOM 1007 N LYS A 61 -1.694 19.889 -4.061 1.00 0.00 N ATOM 1008 CA LYS A 61 -1.179 20.738 -5.130 1.00 0.00 C ATOM 1009 C LYS A 61 0.115 21.411 -4.614 1.00 0.00 C ATOM 1010 O LYS A 61 0.589 21.061 -3.515 1.00 0.00 O ATOM 1011 CB LYS A 61 -2.259 21.793 -5.496 1.00 0.00 C ATOM 1012 CG LYS A 61 -3.577 21.217 -6.039 1.00 0.00 C ATOM 1013 CD LYS A 61 -3.437 20.509 -7.408 1.00 0.00 C ATOM 1014 CE LYS A 61 -3.042 21.473 -8.540 1.00 0.00 C ATOM 1015 NZ LYS A 61 -3.229 20.857 -9.872 1.00 0.00 N ATOM 0 H LYS A 61 -1.652 20.353 -3.153 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.950 20.163 -6.027 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.479 22.388 -4.609 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.843 22.472 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.978 20.508 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.304 22.024 -6.131 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.688 19.721 -7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.381 20.027 -7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.642 22.381 -8.471 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.000 21.769 -8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.953 21.536 -10.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.638 20.005 -9.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.228 20.597 -9.997 1.00 0.00 H new ATOM 1029 N ARG A 62 0.600 22.432 -5.366 1.00 0.00 N ATOM 1030 CA ARG A 62 1.958 23.026 -5.232 1.00 0.00 C ATOM 1031 C ARG A 62 2.434 23.179 -3.750 1.00 0.00 C ATOM 1032 O ARG A 62 1.839 23.908 -2.945 1.00 0.00 O ATOM 1033 CB ARG A 62 2.001 24.390 -6.009 1.00 0.00 C ATOM 1034 CG ARG A 62 1.354 25.625 -5.300 1.00 0.00 C ATOM 1035 CD ARG A 62 0.577 26.570 -6.243 1.00 0.00 C ATOM 1036 NE ARG A 62 -0.771 26.055 -6.560 1.00 0.00 N ATOM 1037 CZ ARG A 62 -1.604 26.568 -7.477 1.00 0.00 C ATOM 1038 NH1 ARG A 62 -1.224 27.538 -8.292 1.00 0.00 N ATOM 1039 NH2 ARG A 62 -2.813 26.065 -7.605 1.00 0.00 N ATOM 0 H ARG A 62 0.047 22.876 -6.099 1.00 0.00 H new ATOM 0 HA ARG A 62 2.670 22.331 -5.677 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.043 24.628 -6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.504 24.250 -6.969 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.676 25.269 -4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.139 26.194 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.489 27.552 -5.779 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.140 26.703 -7.167 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.095 25.241 -6.038 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.277 27.913 -8.232 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.877 27.911 -8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.109 25.292 -7.010 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -3.454 26.448 -8.300 1.00 0.00 H new ATOM 1053 N VAL A 63 3.470 22.401 -3.382 1.00 0.00 N ATOM 1054 CA VAL A 63 4.047 22.440 -2.033 1.00 0.00 C ATOM 1055 C VAL A 63 5.181 23.496 -2.002 1.00 0.00 C ATOM 1056 O VAL A 63 6.243 23.325 -2.612 1.00 0.00 O ATOM 1057 CB VAL A 63 4.511 21.004 -1.540 1.00 0.00 C ATOM 1058 CG1 VAL A 63 3.295 20.044 -1.451 1.00 0.00 C ATOM 1059 CG2 VAL A 63 5.626 20.387 -2.434 1.00 0.00 C ATOM 0 H VAL A 63 3.924 21.735 -4.008 1.00 0.00 H new ATOM 0 HA VAL A 63 3.281 22.743 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 63 4.942 21.136 -0.548 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.629 19.064 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.567 20.443 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.833 19.950 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.901 19.406 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.258 20.284 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.500 21.038 -2.427 1.00 0.00 H new ATOM 1069 N VAL A 64 4.907 24.639 -1.347 1.00 0.00 N ATOM 1070 CA VAL A 64 5.820 25.798 -1.319 1.00 0.00 C ATOM 1071 C VAL A 64 6.764 25.668 -0.122 1.00 0.00 C ATOM 1072 O VAL A 64 6.334 25.786 1.024 1.00 0.00 O ATOM 1073 CB VAL A 64 5.020 27.151 -1.230 1.00 0.00 C ATOM 1074 CG1 VAL A 64 5.969 28.382 -1.155 1.00 0.00 C ATOM 1075 CG2 VAL A 64 4.022 27.281 -2.403 1.00 0.00 C ATOM 0 H VAL A 64 4.045 24.786 -0.821 1.00 0.00 H new ATOM 0 HA VAL A 64 6.396 25.810 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 64 4.449 27.132 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.377 29.295 -1.095 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.601 28.301 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.595 28.414 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.482 28.224 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.566 27.258 -3.347 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.314 26.453 -2.371 1.00 0.00 H new ATOM 1085 N LEU A 65 8.049 25.397 -0.391 1.00 0.00 N ATOM 1086 CA LEU A 65 9.055 25.220 0.663 1.00 0.00 C ATOM 1087 C LEU A 65 9.719 26.579 0.967 1.00 0.00 C ATOM 1088 O LEU A 65 10.392 27.149 0.104 1.00 0.00 O ATOM 1089 CB LEU A 65 10.128 24.179 0.225 1.00 0.00 C ATOM 1090 CG LEU A 65 9.602 22.814 -0.343 1.00 0.00 C ATOM 1091 CD1 LEU A 65 10.767 21.896 -0.779 1.00 0.00 C ATOM 1092 CD2 LEU A 65 8.680 22.094 0.661 1.00 0.00 C ATOM 0 H LEU A 65 8.417 25.295 -1.337 1.00 0.00 H new ATOM 0 HA LEU A 65 8.568 24.846 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.760 24.641 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 65 10.765 23.966 1.084 1.00 0.00 H new ATOM 0 HG LEU A 65 9.008 23.045 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.367 20.960 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.349 22.391 -1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.408 21.689 0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.337 21.153 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.230 21.893 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.820 22.726 0.883 1.00 0.00 H new ATOM 1104 N SER A 66 9.530 27.074 2.193 1.00 0.00 N ATOM 1105 CA SER A 66 10.102 28.345 2.658 1.00 0.00 C ATOM 1106 C SER A 66 10.308 28.278 4.173 1.00 0.00 C ATOM 1107 O SER A 66 9.384 27.920 4.904 1.00 0.00 O ATOM 1108 CB SER A 66 9.183 29.539 2.285 1.00 0.00 C ATOM 1109 OG SER A 66 9.761 30.784 2.663 1.00 0.00 O ATOM 0 H SER A 66 8.969 26.600 2.901 1.00 0.00 H new ATOM 0 HA SER A 66 11.062 28.503 2.167 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.998 29.535 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.217 29.422 2.776 1.00 0.00 H new ATOM 0 HG SER A 66 9.286 31.142 3.442 1.00 0.00 H new ATOM 1115 N GLU A 67 11.522 28.630 4.632 1.00 0.00 N ATOM 1116 CA GLU A 67 11.862 28.687 6.066 1.00 0.00 C ATOM 1117 C GLU A 67 11.004 29.720 6.830 1.00 0.00 C ATOM 1118 O GLU A 67 10.894 29.657 8.059 1.00 0.00 O ATOM 1119 CB GLU A 67 13.367 29.007 6.251 1.00 0.00 C ATOM 1120 CG GLU A 67 14.327 27.847 5.946 1.00 0.00 C ATOM 1121 CD GLU A 67 15.813 28.204 6.146 1.00 0.00 C ATOM 1122 OE1 GLU A 67 16.419 28.790 5.229 1.00 0.00 O ATOM 1123 OE2 GLU A 67 16.378 27.916 7.224 1.00 0.00 O ATOM 0 H GLU A 67 12.297 28.883 4.019 1.00 0.00 H new ATOM 0 HA GLU A 67 11.645 27.705 6.487 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.624 29.849 5.608 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.529 29.330 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.076 27.001 6.586 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.176 27.523 4.916 1.00 0.00 H new ATOM 1130 N ASN A 68 10.430 30.694 6.098 1.00 0.00 N ATOM 1131 CA ASN A 68 9.515 31.688 6.677 1.00 0.00 C ATOM 1132 C ASN A 68 8.062 31.279 6.358 1.00 0.00 C ATOM 1133 O ASN A 68 7.686 31.215 5.178 1.00 0.00 O ATOM 1134 CB ASN A 68 9.815 33.103 6.115 1.00 0.00 C ATOM 1135 CG ASN A 68 11.267 33.553 6.322 1.00 0.00 C ATOM 1136 OD1 ASN A 68 11.918 33.191 7.306 1.00 0.00 O ATOM 1137 ND2 ASN A 68 11.783 34.345 5.388 1.00 0.00 N ATOM 0 H ASN A 68 10.588 30.811 5.097 1.00 0.00 H new ATOM 0 HA ASN A 68 9.656 31.721 7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.588 33.117 5.049 1.00 0.00 H new ATOM 0 HB3 ASN A 68 9.149 33.822 6.592 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.745 34.673 5.472 1.00 0.00 H new ATOM 0 HD22 ASN A 68 11.217 34.625 4.587 1.00 0.00 H new ATOM 1144 N PRO A 69 7.207 31.018 7.399 1.00 0.00 N ATOM 1145 CA PRO A 69 5.775 30.686 7.203 1.00 0.00 C ATOM 1146 C PRO A 69 4.938 31.885 6.691 1.00 0.00 C ATOM 1147 O PRO A 69 3.780 31.720 6.295 1.00 0.00 O ATOM 1148 CB PRO A 69 5.321 30.227 8.612 1.00 0.00 C ATOM 1149 CG PRO A 69 6.258 30.922 9.553 1.00 0.00 C ATOM 1150 CD PRO A 69 7.583 30.982 8.839 1.00 0.00 C ATOM 0 HA PRO A 69 5.632 29.927 6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.285 30.506 8.806 1.00 0.00 H new ATOM 0 HB3 PRO A 69 5.385 29.144 8.716 1.00 0.00 H new ATOM 0 HG2 PRO A 69 5.899 31.922 9.796 1.00 0.00 H new ATOM 0 HG3 PRO A 69 6.344 30.377 10.493 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.153 31.866 9.126 1.00 0.00 H new ATOM 0 HD3 PRO A 69 8.202 30.115 9.070 1.00 0.00 H new ATOM 1158 N MET A 70 5.552 33.081 6.667 1.00 0.00 N ATOM 1159 CA MET A 70 4.882 34.327 6.263 1.00 0.00 C ATOM 1160 C MET A 70 4.803 34.445 4.730 1.00 0.00 C ATOM 1161 O MET A 70 3.913 35.123 4.192 1.00 0.00 O ATOM 1162 CB MET A 70 5.628 35.527 6.890 1.00 0.00 C ATOM 1163 CG MET A 70 5.549 35.574 8.427 1.00 0.00 C ATOM 1164 SD MET A 70 6.695 36.763 9.163 1.00 0.00 S ATOM 1165 CE MET A 70 8.282 36.049 8.726 1.00 0.00 C ATOM 0 H MET A 70 6.530 33.210 6.928 1.00 0.00 H new ATOM 0 HA MET A 70 3.855 34.320 6.628 1.00 0.00 H new ATOM 0 HB2 MET A 70 6.675 35.488 6.590 1.00 0.00 H new ATOM 0 HB3 MET A 70 5.215 36.451 6.486 1.00 0.00 H new ATOM 0 HG2 MET A 70 4.532 35.828 8.724 1.00 0.00 H new ATOM 0 HG3 MET A 70 5.759 34.582 8.826 1.00 0.00 H new ATOM 0 HE1 MET A 70 9.044 36.405 9.419 1.00 0.00 H new ATOM 0 HE2 MET A 70 8.220 34.962 8.782 1.00 0.00 H new ATOM 0 HE3 MET A 70 8.547 36.346 7.711 1.00 0.00 H new ATOM 1175 N GLN A 71 5.738 33.760 4.033 1.00 0.00 N ATOM 1176 CA GLN A 71 5.762 33.679 2.558 1.00 0.00 C ATOM 1177 C GLN A 71 4.478 33.035 2.007 1.00 0.00 C ATOM 1178 O GLN A 71 4.056 33.331 0.894 1.00 0.00 O ATOM 1179 CB GLN A 71 7.040 32.914 2.071 1.00 0.00 C ATOM 1180 CG GLN A 71 8.263 33.797 1.686 1.00 0.00 C ATOM 1181 CD GLN A 71 9.019 34.509 2.832 1.00 0.00 C ATOM 1182 OE1 GLN A 71 10.242 34.638 2.774 1.00 0.00 O ATOM 1183 NE2 GLN A 71 8.328 35.072 3.816 1.00 0.00 N ATOM 0 H GLN A 71 6.498 33.247 4.480 1.00 0.00 H new ATOM 0 HA GLN A 71 5.804 34.695 2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 71 7.348 32.226 2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.768 32.309 1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.976 33.169 1.152 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.921 34.558 0.985 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.315 34.960 3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.810 35.616 4.531 1.00 0.00 H new ATOM 1192 N PHE A 72 3.843 32.194 2.822 1.00 0.00 N ATOM 1193 CA PHE A 72 2.623 31.469 2.435 1.00 0.00 C ATOM 1194 C PHE A 72 1.391 32.395 2.473 1.00 0.00 C ATOM 1195 O PHE A 72 0.381 32.105 1.840 1.00 0.00 O ATOM 1196 CB PHE A 72 2.431 30.249 3.369 1.00 0.00 C ATOM 1197 CG PHE A 72 3.678 29.369 3.515 1.00 0.00 C ATOM 1198 CD1 PHE A 72 4.572 29.194 2.453 1.00 0.00 C ATOM 1199 CD2 PHE A 72 3.958 28.719 4.710 1.00 0.00 C ATOM 1200 CE1 PHE A 72 5.690 28.406 2.594 1.00 0.00 C ATOM 1201 CE2 PHE A 72 5.076 27.930 4.842 1.00 0.00 C ATOM 1202 CZ PHE A 72 5.944 27.774 3.786 1.00 0.00 C ATOM 0 H PHE A 72 4.156 31.993 3.772 1.00 0.00 H new ATOM 0 HA PHE A 72 2.731 31.117 1.409 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.133 30.604 4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.612 29.639 2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.381 29.684 1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.287 28.835 5.548 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.371 28.284 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.274 27.430 5.779 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.823 27.156 3.894 1.00 0.00 H new ATOM 1212 N PHE A 73 1.489 33.514 3.218 1.00 0.00 N ATOM 1213 CA PHE A 73 0.410 34.514 3.303 1.00 0.00 C ATOM 1214 C PHE A 73 0.515 35.518 2.149 1.00 0.00 C ATOM 1215 O PHE A 73 -0.506 35.933 1.588 1.00 0.00 O ATOM 1216 CB PHE A 73 0.442 35.235 4.671 1.00 0.00 C ATOM 1217 CG PHE A 73 0.352 34.275 5.855 1.00 0.00 C ATOM 1218 CD1 PHE A 73 -0.687 33.350 5.951 1.00 0.00 C ATOM 1219 CD2 PHE A 73 1.318 34.277 6.849 1.00 0.00 C ATOM 1220 CE1 PHE A 73 -0.749 32.466 7.008 1.00 0.00 C ATOM 1221 CE2 PHE A 73 1.255 33.393 7.898 1.00 0.00 C ATOM 1222 CZ PHE A 73 0.222 32.485 7.982 1.00 0.00 C ATOM 0 H PHE A 73 2.312 33.747 3.773 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.547 33.999 3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.363 35.814 4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.385 35.943 4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.452 33.325 5.189 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.132 34.984 6.798 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.562 31.757 7.071 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.019 33.410 8.661 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.175 31.792 8.809 1.00 0.00 H new ATOM 1232 N GLU A 74 1.753 35.904 1.782 1.00 0.00 N ATOM 1233 CA GLU A 74 1.975 36.792 0.615 1.00 0.00 C ATOM 1234 C GLU A 74 1.728 36.034 -0.715 1.00 0.00 C ATOM 1235 O GLU A 74 1.444 36.655 -1.743 1.00 0.00 O ATOM 1236 CB GLU A 74 3.399 37.413 0.645 1.00 0.00 C ATOM 1237 CG GLU A 74 4.544 36.439 0.310 1.00 0.00 C ATOM 1238 CD GLU A 74 5.929 37.101 0.302 1.00 0.00 C ATOM 1239 OE1 GLU A 74 6.260 37.808 -0.681 1.00 0.00 O ATOM 1240 OE2 GLU A 74 6.692 36.929 1.277 1.00 0.00 O ATOM 0 H GLU A 74 2.605 35.622 2.266 1.00 0.00 H new ATOM 0 HA GLU A 74 1.255 37.608 0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.431 38.243 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 74 3.576 37.830 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.543 35.626 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.357 35.994 -0.667 1.00 0.00 H new ATOM 1247 N THR A 75 1.849 34.687 -0.678 1.00 0.00 N ATOM 1248 CA THR A 75 1.603 33.821 -1.846 1.00 0.00 C ATOM 1249 C THR A 75 0.115 33.411 -1.930 1.00 0.00 C ATOM 1250 O THR A 75 -0.478 33.449 -3.010 1.00 0.00 O ATOM 1251 CB THR A 75 2.518 32.545 -1.805 1.00 0.00 C ATOM 1252 OG1 THR A 75 3.897 32.946 -1.828 1.00 0.00 O ATOM 1253 CG2 THR A 75 2.256 31.573 -2.973 1.00 0.00 C ATOM 0 H THR A 75 2.119 34.175 0.162 1.00 0.00 H new ATOM 0 HA THR A 75 1.852 34.394 -2.739 1.00 0.00 H new ATOM 0 HB THR A 75 2.279 32.014 -0.884 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.190 33.164 -0.918 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.920 30.713 -2.886 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.220 31.236 -2.941 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.443 32.082 -3.919 1.00 0.00 H new ATOM 1261 N PHE A 76 -0.483 33.023 -0.785 1.00 0.00 N ATOM 1262 CA PHE A 76 -1.887 32.531 -0.728 1.00 0.00 C ATOM 1263 C PHE A 76 -2.748 33.463 0.159 1.00 0.00 C ATOM 1264 O PHE A 76 -3.659 34.138 -0.341 1.00 0.00 O ATOM 1265 CB PHE A 76 -1.929 31.076 -0.183 1.00 0.00 C ATOM 1266 CG PHE A 76 -1.100 30.064 -0.962 1.00 0.00 C ATOM 1267 CD1 PHE A 76 -1.460 29.693 -2.259 1.00 0.00 C ATOM 1268 CD2 PHE A 76 0.025 29.467 -0.393 1.00 0.00 C ATOM 1269 CE1 PHE A 76 -0.722 28.755 -2.955 1.00 0.00 C ATOM 1270 CE2 PHE A 76 0.762 28.533 -1.090 1.00 0.00 C ATOM 1271 CZ PHE A 76 0.391 28.178 -2.372 1.00 0.00 C ATOM 0 H PHE A 76 -0.017 33.039 0.122 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.297 32.535 -1.738 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.585 31.083 0.851 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.966 30.740 -0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.325 30.144 -2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.323 29.740 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.015 28.472 -3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.629 28.079 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.971 27.449 -2.919 1.00 0.00 H new ATOM 1281 N GLY A 77 -2.446 33.477 1.480 1.00 0.00 N ATOM 1282 CA GLY A 77 -3.151 34.324 2.461 1.00 0.00 C ATOM 1283 C GLY A 77 -4.558 33.836 2.777 1.00 0.00 C ATOM 1284 O GLY A 77 -4.781 33.144 3.777 1.00 0.00 O ATOM 0 H GLY A 77 -1.709 32.903 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.571 34.360 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.205 35.343 2.078 1.00 0.00 H new ATOM 1288 N ASP A 78 -5.499 34.187 1.880 1.00 0.00 N ATOM 1289 CA ASP A 78 -6.931 33.820 1.983 1.00 0.00 C ATOM 1290 C ASP A 78 -7.127 32.303 1.924 1.00 0.00 C ATOM 1291 O ASP A 78 -8.104 31.777 2.462 1.00 0.00 O ATOM 1292 CB ASP A 78 -7.743 34.469 0.836 1.00 0.00 C ATOM 1293 CG ASP A 78 -7.660 35.999 0.845 1.00 0.00 C ATOM 1294 OD1 ASP A 78 -6.728 36.554 0.225 1.00 0.00 O ATOM 1295 OD2 ASP A 78 -8.512 36.652 1.490 1.00 0.00 O ATOM 0 H ASP A 78 -5.287 34.741 1.051 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.287 34.187 2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.376 34.095 -0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.787 34.165 0.918 1.00 0.00 H new ATOM 1300 N ARG A 79 -6.190 31.626 1.247 1.00 0.00 N ATOM 1301 CA ARG A 79 -6.244 30.179 1.029 1.00 0.00 C ATOM 1302 C ARG A 79 -5.736 29.397 2.244 1.00 0.00 C ATOM 1303 O ARG A 79 -6.247 28.334 2.508 1.00 0.00 O ATOM 1304 CB ARG A 79 -5.436 29.797 -0.235 1.00 0.00 C ATOM 1305 CG ARG A 79 -5.980 30.383 -1.551 1.00 0.00 C ATOM 1306 CD ARG A 79 -7.422 29.931 -1.840 1.00 0.00 C ATOM 1307 NE ARG A 79 -7.872 30.314 -3.194 1.00 0.00 N ATOM 1308 CZ ARG A 79 -9.131 30.205 -3.644 1.00 0.00 C ATOM 1309 NH1 ARG A 79 -10.101 29.777 -2.842 1.00 0.00 N ATOM 1310 NH2 ARG A 79 -9.415 30.536 -4.897 1.00 0.00 N ATOM 0 H ARG A 79 -5.370 32.071 0.834 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.289 29.908 0.881 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.406 30.129 -0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.413 28.711 -0.320 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.946 31.471 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.335 30.080 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.489 28.849 -1.730 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.092 30.369 -1.100 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.173 30.690 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.891 29.528 -1.875 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.055 29.697 -3.193 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.677 30.872 -5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.371 30.454 -5.242 1.00 0.00 H new ATOM 1324 N VAL A 80 -4.751 29.936 2.988 1.00 0.00 N ATOM 1325 CA VAL A 80 -4.117 29.198 4.117 1.00 0.00 C ATOM 1326 C VAL A 80 -5.140 28.979 5.265 1.00 0.00 C ATOM 1327 O VAL A 80 -5.999 29.843 5.488 1.00 0.00 O ATOM 1328 CB VAL A 80 -2.843 29.954 4.648 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -2.063 29.111 5.684 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -1.919 30.391 3.485 1.00 0.00 C ATOM 0 H VAL A 80 -4.374 30.871 2.836 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.797 28.225 3.745 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.195 30.853 5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.191 29.669 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.709 28.891 6.534 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.739 28.178 5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.049 30.910 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.592 29.512 2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.464 31.059 2.818 1.00 0.00 H new ATOM 1340 N PHE A 81 -5.050 27.820 5.982 1.00 0.00 N ATOM 1341 CA PHE A 81 -6.039 27.441 7.033 1.00 0.00 C ATOM 1342 C PHE A 81 -6.052 28.404 8.228 1.00 0.00 C ATOM 1343 O PHE A 81 -6.997 28.418 9.013 1.00 0.00 O ATOM 1344 CB PHE A 81 -5.842 25.969 7.514 1.00 0.00 C ATOM 1345 CG PHE A 81 -4.624 25.653 8.399 1.00 0.00 C ATOM 1346 CD1 PHE A 81 -4.692 25.752 9.793 1.00 0.00 C ATOM 1347 CD2 PHE A 81 -3.434 25.199 7.846 1.00 0.00 C ATOM 1348 CE1 PHE A 81 -3.618 25.417 10.593 1.00 0.00 C ATOM 1349 CE2 PHE A 81 -2.358 24.867 8.648 1.00 0.00 C ATOM 1350 CZ PHE A 81 -2.448 24.974 10.019 1.00 0.00 C ATOM 0 H PHE A 81 -4.305 27.136 5.851 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.015 27.518 6.555 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.737 25.674 8.061 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.786 25.334 6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.605 26.098 10.254 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -3.348 25.104 6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.696 25.502 11.667 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.440 24.521 8.197 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.604 24.711 10.640 1.00 0.00 H new ATOM 1360 N LEU A 82 -4.999 29.199 8.360 1.00 0.00 N ATOM 1361 CA LEU A 82 -4.863 30.181 9.435 1.00 0.00 C ATOM 1362 C LEU A 82 -4.239 31.462 8.870 1.00 0.00 C ATOM 1363 O LEU A 82 -3.620 31.428 7.801 1.00 0.00 O ATOM 1364 CB LEU A 82 -4.023 29.573 10.609 1.00 0.00 C ATOM 1365 CG LEU A 82 -2.453 29.523 10.484 1.00 0.00 C ATOM 1366 CD1 LEU A 82 -1.812 28.980 11.784 1.00 0.00 C ATOM 1367 CD2 LEU A 82 -1.985 28.702 9.271 1.00 0.00 C ATOM 0 H LEU A 82 -4.206 29.183 7.719 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.841 30.439 9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.263 30.137 11.511 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.372 28.553 10.769 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.119 30.549 10.327 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.728 28.955 11.672 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -2.076 29.629 12.619 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.180 27.972 11.978 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.896 28.700 9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.347 27.678 9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.380 29.146 8.357 1.00 0.00 H new ATOM 1379 N THR A 83 -4.440 32.598 9.554 1.00 0.00 N ATOM 1380 CA THR A 83 -3.788 33.864 9.176 1.00 0.00 C ATOM 1381 C THR A 83 -2.504 34.045 10.006 1.00 0.00 C ATOM 1382 O THR A 83 -2.170 33.192 10.835 1.00 0.00 O ATOM 1383 CB THR A 83 -4.753 35.093 9.334 1.00 0.00 C ATOM 1384 OG1 THR A 83 -4.134 36.280 8.805 1.00 0.00 O ATOM 1385 CG2 THR A 83 -5.145 35.342 10.793 1.00 0.00 C ATOM 0 H THR A 83 -5.047 32.668 10.370 1.00 0.00 H new ATOM 0 HA THR A 83 -3.525 33.816 8.119 1.00 0.00 H new ATOM 0 HB THR A 83 -5.660 34.858 8.777 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.744 37.040 8.907 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.813 36.202 10.849 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.653 34.462 11.189 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.249 35.539 11.382 1.00 0.00 H new ATOM 1393 N LYS A 84 -1.789 35.152 9.770 1.00 0.00 N ATOM 1394 CA LYS A 84 -0.512 35.451 10.435 1.00 0.00 C ATOM 1395 C LYS A 84 -0.702 35.675 11.954 1.00 0.00 C ATOM 1396 O LYS A 84 0.215 35.433 12.740 1.00 0.00 O ATOM 1397 CB LYS A 84 0.127 36.678 9.749 1.00 0.00 C ATOM 1398 CG LYS A 84 1.581 36.995 10.154 1.00 0.00 C ATOM 1399 CD LYS A 84 2.159 38.198 9.362 1.00 0.00 C ATOM 1400 CE LYS A 84 2.232 37.934 7.840 1.00 0.00 C ATOM 1401 NZ LYS A 84 2.721 39.115 7.082 1.00 0.00 N ATOM 0 H LYS A 84 -2.081 35.871 9.108 1.00 0.00 H new ATOM 0 HA LYS A 84 0.158 34.597 10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.096 36.524 8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.488 37.552 9.964 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.620 37.212 11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.204 36.117 9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.542 39.078 9.544 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.157 38.427 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.892 37.087 7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.244 37.655 7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.752 38.888 6.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.078 39.918 7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.675 39.367 7.410 1.00 0.00 H new ATOM 1415 N ASP A 85 -1.912 36.126 12.344 1.00 0.00 N ATOM 1416 CA ASP A 85 -2.329 36.260 13.766 1.00 0.00 C ATOM 1417 C ASP A 85 -2.420 34.880 14.432 1.00 0.00 C ATOM 1418 O ASP A 85 -1.870 34.654 15.514 1.00 0.00 O ATOM 1419 CB ASP A 85 -3.704 36.962 13.876 1.00 0.00 C ATOM 1420 CG ASP A 85 -3.728 38.353 13.234 1.00 0.00 C ATOM 1421 OD1 ASP A 85 -3.819 38.443 11.991 1.00 0.00 O ATOM 1422 OD2 ASP A 85 -3.653 39.363 13.967 1.00 0.00 O ATOM 0 H ASP A 85 -2.635 36.410 11.683 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.577 36.864 14.274 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.462 36.338 13.402 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.976 37.050 14.928 1.00 0.00 H new ATOM 1427 N GLU A 86 -3.120 33.960 13.758 1.00 0.00 N ATOM 1428 CA GLU A 86 -3.244 32.564 14.207 1.00 0.00 C ATOM 1429 C GLU A 86 -1.870 31.864 14.237 1.00 0.00 C ATOM 1430 O GLU A 86 -1.640 30.995 15.079 1.00 0.00 O ATOM 1431 CB GLU A 86 -4.250 31.785 13.316 1.00 0.00 C ATOM 1432 CG GLU A 86 -5.724 31.830 13.763 1.00 0.00 C ATOM 1433 CD GLU A 86 -6.342 33.234 13.829 1.00 0.00 C ATOM 1434 OE1 GLU A 86 -6.233 33.905 14.879 1.00 0.00 O ATOM 1435 OE2 GLU A 86 -6.954 33.667 12.841 1.00 0.00 O ATOM 0 H GLU A 86 -3.616 34.159 12.889 1.00 0.00 H new ATOM 0 HA GLU A 86 -3.632 32.572 15.226 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -4.187 32.178 12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -3.936 30.742 13.274 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -6.314 31.222 13.077 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -5.803 31.368 14.747 1.00 0.00 H new ATOM 1442 N LEU A 87 -0.969 32.273 13.324 1.00 0.00 N ATOM 1443 CA LEU A 87 0.399 31.733 13.235 1.00 0.00 C ATOM 1444 C LEU A 87 1.237 32.140 14.463 1.00 0.00 C ATOM 1445 O LEU A 87 1.842 31.281 15.112 1.00 0.00 O ATOM 1446 CB LEU A 87 1.099 32.218 11.938 1.00 0.00 C ATOM 1447 CG LEU A 87 2.622 31.883 11.829 1.00 0.00 C ATOM 1448 CD1 LEU A 87 2.876 30.361 11.732 1.00 0.00 C ATOM 1449 CD2 LEU A 87 3.291 32.651 10.678 1.00 0.00 C ATOM 0 H LEU A 87 -1.171 32.989 12.626 1.00 0.00 H new ATOM 0 HA LEU A 87 0.323 30.646 13.211 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.586 31.778 11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.976 33.298 11.862 1.00 0.00 H new ATOM 0 HG LEU A 87 3.089 32.220 12.754 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.947 30.175 11.658 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.483 29.869 12.622 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.377 29.964 10.848 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.349 32.392 10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.813 32.384 9.736 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.187 33.723 10.847 1.00 0.00 H new ATOM 1461 N LYS A 88 1.267 33.457 14.768 1.00 0.00 N ATOM 1462 CA LYS A 88 2.132 33.998 15.839 1.00 0.00 C ATOM 1463 C LYS A 88 1.740 33.433 17.215 1.00 0.00 C ATOM 1464 O LYS A 88 2.619 33.088 18.005 1.00 0.00 O ATOM 1465 CB LYS A 88 2.204 35.570 15.812 1.00 0.00 C ATOM 1466 CG LYS A 88 0.858 36.344 15.707 1.00 0.00 C ATOM 1467 CD LYS A 88 0.079 36.504 17.026 1.00 0.00 C ATOM 1468 CE LYS A 88 0.774 37.432 18.003 1.00 0.00 C ATOM 1469 NZ LYS A 88 -0.029 37.639 19.229 1.00 0.00 N ATOM 0 H LYS A 88 0.705 34.161 14.290 1.00 0.00 H new ATOM 0 HA LYS A 88 3.149 33.658 15.643 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.713 35.900 16.717 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.829 35.865 14.969 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.060 37.336 15.302 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.219 35.831 14.988 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.918 36.889 16.811 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.050 35.526 17.489 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.746 37.017 18.270 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.959 38.393 17.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.479 38.279 19.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.946 38.058 18.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.184 36.725 19.701 1.00 0.00 H new ATOM 1483 N GLU A 89 0.420 33.273 17.460 1.00 0.00 N ATOM 1484 CA GLU A 89 -0.096 32.708 18.727 1.00 0.00 C ATOM 1485 C GLU A 89 0.022 31.166 18.745 1.00 0.00 C ATOM 1486 O GLU A 89 0.059 30.567 19.820 1.00 0.00 O ATOM 1487 CB GLU A 89 -1.553 33.172 18.984 1.00 0.00 C ATOM 1488 CG GLU A 89 -2.608 32.631 17.999 1.00 0.00 C ATOM 1489 CD GLU A 89 -4.012 33.206 18.257 1.00 0.00 C ATOM 1490 OE1 GLU A 89 -4.336 34.281 17.713 1.00 0.00 O ATOM 1491 OE2 GLU A 89 -4.789 32.597 19.025 1.00 0.00 O ATOM 0 H GLU A 89 -0.309 33.528 16.794 1.00 0.00 H new ATOM 0 HA GLU A 89 0.522 33.087 19.541 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.838 32.874 19.993 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.579 34.261 18.954 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.304 32.870 16.980 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -2.646 31.544 18.074 1.00 0.00 H new ATOM 1498 N TYR A 90 0.074 30.537 17.543 1.00 0.00 N ATOM 1499 CA TYR A 90 0.385 29.090 17.389 1.00 0.00 C ATOM 1500 C TYR A 90 1.832 28.816 17.821 1.00 0.00 C ATOM 1501 O TYR A 90 2.117 27.797 18.452 1.00 0.00 O ATOM 1502 CB TYR A 90 0.156 28.628 15.916 1.00 0.00 C ATOM 1503 CG TYR A 90 0.682 27.221 15.566 1.00 0.00 C ATOM 1504 CD1 TYR A 90 0.061 26.069 16.059 1.00 0.00 C ATOM 1505 CD2 TYR A 90 1.807 27.051 14.749 1.00 0.00 C ATOM 1506 CE1 TYR A 90 0.535 24.809 15.747 1.00 0.00 C ATOM 1507 CE2 TYR A 90 2.284 25.793 14.435 1.00 0.00 C ATOM 1508 CZ TYR A 90 1.646 24.674 14.936 1.00 0.00 C ATOM 1509 OH TYR A 90 2.120 23.415 14.625 1.00 0.00 O ATOM 0 H TYR A 90 -0.097 31.014 16.658 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.288 28.520 18.029 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.913 28.658 15.707 1.00 0.00 H new ATOM 0 HB3 TYR A 90 0.631 29.349 15.251 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.806 26.166 16.696 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.312 27.921 14.356 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.039 23.932 16.136 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.152 25.684 13.801 1.00 0.00 H new ATOM 0 HH TYR A 90 2.906 23.495 14.045 1.00 0.00 H new ATOM 1519 N MET A 91 2.732 29.744 17.477 1.00 0.00 N ATOM 1520 CA MET A 91 4.157 29.639 17.816 1.00 0.00 C ATOM 1521 C MET A 91 4.388 30.010 19.296 1.00 0.00 C ATOM 1522 O MET A 91 5.278 29.455 19.945 1.00 0.00 O ATOM 1523 CB MET A 91 4.999 30.503 16.840 1.00 0.00 C ATOM 1524 CG MET A 91 4.923 30.016 15.374 1.00 0.00 C ATOM 1525 SD MET A 91 5.980 30.940 14.234 1.00 0.00 S ATOM 1526 CE MET A 91 5.308 32.594 14.348 1.00 0.00 C ATOM 0 H MET A 91 2.494 30.588 16.956 1.00 0.00 H new ATOM 0 HA MET A 91 4.487 28.607 17.698 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.656 31.536 16.891 1.00 0.00 H new ATOM 0 HB3 MET A 91 6.040 30.497 17.165 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.201 28.963 15.337 1.00 0.00 H new ATOM 0 HG3 MET A 91 3.890 30.085 15.032 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.592 33.164 13.463 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.221 32.541 14.413 1.00 0.00 H new ATOM 0 HE3 MET A 91 5.701 33.086 15.238 1.00 0.00 H new ATOM 1536 N LYS A 92 3.546 30.922 19.841 1.00 0.00 N ATOM 1537 CA LYS A 92 3.535 31.226 21.295 1.00 0.00 C ATOM 1538 C LYS A 92 2.942 30.051 22.086 1.00 0.00 C ATOM 1539 O LYS A 92 3.311 29.824 23.237 1.00 0.00 O ATOM 1540 CB LYS A 92 2.752 32.528 21.625 1.00 0.00 C ATOM 1541 CG LYS A 92 3.282 33.842 20.984 1.00 0.00 C ATOM 1542 CD LYS A 92 4.762 34.197 21.330 1.00 0.00 C ATOM 1543 CE LYS A 92 5.785 33.689 20.289 1.00 0.00 C ATOM 1544 NZ LYS A 92 7.171 34.082 20.647 1.00 0.00 N ATOM 0 H LYS A 92 2.868 31.458 19.299 1.00 0.00 H new ATOM 0 HA LYS A 92 4.573 31.382 21.591 1.00 0.00 H new ATOM 0 HB2 LYS A 92 1.717 32.391 21.313 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.745 32.656 22.707 1.00 0.00 H new ATOM 0 HG2 LYS A 92 3.187 33.764 19.901 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.643 34.666 21.301 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.855 35.279 21.419 1.00 0.00 H new ATOM 0 HD3 LYS A 92 5.009 33.775 22.304 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.722 32.603 20.216 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.535 34.090 19.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.830 33.724 19.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.237 35.119 20.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.418 33.678 21.573 1.00 0.00 H new ATOM 1558 N SER A 93 2.038 29.294 21.442 1.00 0.00 N ATOM 1559 CA SER A 93 1.385 28.115 22.048 1.00 0.00 C ATOM 1560 C SER A 93 2.424 27.025 22.385 1.00 0.00 C ATOM 1561 O SER A 93 2.279 26.293 23.368 1.00 0.00 O ATOM 1562 CB SER A 93 0.310 27.561 21.076 1.00 0.00 C ATOM 1563 OG SER A 93 -0.520 26.577 21.673 1.00 0.00 O ATOM 0 H SER A 93 1.737 29.480 20.485 1.00 0.00 H new ATOM 0 HA SER A 93 0.905 28.417 22.979 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.309 28.384 20.720 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.803 27.132 20.203 1.00 0.00 H new ATOM 0 HG SER A 93 -1.179 26.264 21.019 1.00 0.00 H new ATOM 1798 N LYS A 106 16.538 28.694 11.321 1.00 0.00 N ATOM 1799 CA LYS A 106 15.068 28.585 11.393 1.00 0.00 C ATOM 1800 C LYS A 106 14.625 27.301 10.686 1.00 0.00 C ATOM 1801 O LYS A 106 15.407 26.669 9.961 1.00 0.00 O ATOM 1802 CB LYS A 106 14.349 29.845 10.801 1.00 0.00 C ATOM 1803 CG LYS A 106 14.664 30.184 9.325 1.00 0.00 C ATOM 1804 CD LYS A 106 16.047 30.859 9.118 1.00 0.00 C ATOM 1805 CE LYS A 106 16.043 31.933 8.021 1.00 0.00 C ATOM 1806 NZ LYS A 106 15.809 31.378 6.662 1.00 0.00 N ATOM 0 HA LYS A 106 14.775 28.538 12.442 1.00 0.00 H new ATOM 0 HB2 LYS A 106 13.273 29.701 10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.611 30.708 11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 106 14.625 29.268 8.735 1.00 0.00 H new ATOM 0 HG3 LYS A 106 13.887 30.844 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 106 16.367 31.311 10.057 1.00 0.00 H new ATOM 0 HD3 LYS A 106 16.782 30.095 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 106 15.271 32.669 8.244 1.00 0.00 H new ATOM 0 HE3 LYS A 106 16.998 32.459 8.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 15.918 32.133 5.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 16.499 30.623 6.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 14.846 30.989 6.607 1.00 0.00 H new ATOM 1820 N LYS A 107 13.369 26.919 10.910 1.00 0.00 N ATOM 1821 CA LYS A 107 12.818 25.655 10.399 1.00 0.00 C ATOM 1822 C LYS A 107 12.294 25.874 8.977 1.00 0.00 C ATOM 1823 O LYS A 107 11.722 26.914 8.687 1.00 0.00 O ATOM 1824 CB LYS A 107 11.689 25.113 11.349 1.00 0.00 C ATOM 1825 CG LYS A 107 11.747 23.585 11.602 1.00 0.00 C ATOM 1826 CD LYS A 107 11.614 22.739 10.316 1.00 0.00 C ATOM 1827 CE LYS A 107 11.973 21.271 10.541 1.00 0.00 C ATOM 1828 NZ LYS A 107 11.045 20.594 11.476 1.00 0.00 N ATOM 0 H LYS A 107 12.702 27.472 11.449 1.00 0.00 H new ATOM 0 HA LYS A 107 13.604 24.901 10.372 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.756 25.631 12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.719 25.362 10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.690 23.342 12.091 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.950 23.309 12.292 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.591 22.807 9.945 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.262 23.154 9.544 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.965 20.748 9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.988 21.205 10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 11.226 19.570 11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 11.193 20.961 12.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.064 20.775 11.183 1.00 0.00 H new ATOM 1842 N LEU A 108 12.529 24.887 8.108 1.00 0.00 N ATOM 1843 CA LEU A 108 11.965 24.848 6.756 1.00 0.00 C ATOM 1844 C LEU A 108 10.473 24.482 6.874 1.00 0.00 C ATOM 1845 O LEU A 108 10.131 23.351 7.226 1.00 0.00 O ATOM 1846 CB LEU A 108 12.760 23.819 5.875 1.00 0.00 C ATOM 1847 CG LEU A 108 12.561 23.846 4.311 1.00 0.00 C ATOM 1848 CD1 LEU A 108 11.189 23.311 3.861 1.00 0.00 C ATOM 1849 CD2 LEU A 108 12.828 25.248 3.730 1.00 0.00 C ATOM 0 H LEU A 108 13.121 24.085 8.325 1.00 0.00 H new ATOM 0 HA LEU A 108 12.052 25.817 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 108 13.822 23.964 6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 108 12.503 22.819 6.223 1.00 0.00 H new ATOM 0 HG LEU A 108 13.305 23.160 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 108 11.119 23.358 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 108 11.077 22.277 4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 108 10.399 23.919 4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.681 25.228 2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 108 12.139 25.964 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 108 13.853 25.544 3.951 1.00 0.00 H new ATOM 1861 N TRP A 109 9.599 25.463 6.634 1.00 0.00 N ATOM 1862 CA TRP A 109 8.145 25.254 6.549 1.00 0.00 C ATOM 1863 C TRP A 109 7.758 24.914 5.099 1.00 0.00 C ATOM 1864 O TRP A 109 8.516 25.168 4.162 1.00 0.00 O ATOM 1865 CB TRP A 109 7.372 26.506 7.033 1.00 0.00 C ATOM 1866 CG TRP A 109 7.507 26.825 8.504 1.00 0.00 C ATOM 1867 CD1 TRP A 109 8.640 27.210 9.154 1.00 0.00 C ATOM 1868 CD2 TRP A 109 6.465 26.821 9.491 1.00 0.00 C ATOM 1869 NE1 TRP A 109 8.378 27.434 10.478 1.00 0.00 N ATOM 1870 CE2 TRP A 109 7.048 27.206 10.713 1.00 0.00 C ATOM 1871 CE3 TRP A 109 5.096 26.529 9.460 1.00 0.00 C ATOM 1872 CZ2 TRP A 109 6.318 27.306 11.894 1.00 0.00 C ATOM 1873 CZ3 TRP A 109 4.366 26.632 10.634 1.00 0.00 C ATOM 1874 CH2 TRP A 109 4.979 27.018 11.838 1.00 0.00 C ATOM 0 H TRP A 109 9.879 26.433 6.492 1.00 0.00 H new ATOM 0 HA TRP A 109 7.874 24.423 7.201 1.00 0.00 H new ATOM 0 HB2 TRP A 109 7.714 27.367 6.459 1.00 0.00 H new ATOM 0 HB3 TRP A 109 6.315 26.370 6.804 1.00 0.00 H new ATOM 0 HD1 TRP A 109 9.609 27.323 8.690 1.00 0.00 H new ATOM 0 HE1 TRP A 109 9.062 27.724 11.177 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.618 26.229 8.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 6.789 27.600 12.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 3.309 26.412 10.623 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.384 27.089 12.736 1.00 0.00 H new ATOM 1885 N MET A 110 6.568 24.340 4.930 1.00 0.00 N ATOM 1886 CA MET A 110 6.067 23.864 3.635 1.00 0.00 C ATOM 1887 C MET A 110 4.554 24.068 3.559 1.00 0.00 C ATOM 1888 O MET A 110 3.828 23.691 4.467 1.00 0.00 O ATOM 1889 CB MET A 110 6.446 22.368 3.425 1.00 0.00 C ATOM 1890 CG MET A 110 6.171 21.449 4.625 1.00 0.00 C ATOM 1891 SD MET A 110 6.424 19.700 4.261 1.00 0.00 S ATOM 1892 CE MET A 110 5.083 19.391 3.113 1.00 0.00 C ATOM 0 H MET A 110 5.913 24.189 5.697 1.00 0.00 H new ATOM 0 HA MET A 110 6.532 24.440 2.835 1.00 0.00 H new ATOM 0 HB2 MET A 110 5.897 21.988 2.563 1.00 0.00 H new ATOM 0 HB3 MET A 110 7.506 22.309 3.178 1.00 0.00 H new ATOM 0 HG2 MET A 110 6.821 21.738 5.451 1.00 0.00 H new ATOM 0 HG3 MET A 110 5.144 21.598 4.960 1.00 0.00 H new ATOM 0 HE1 MET A 110 4.389 18.672 3.549 1.00 0.00 H new ATOM 0 HE2 MET A 110 4.558 20.324 2.908 1.00 0.00 H new ATOM 0 HE3 MET A 110 5.485 18.989 2.183 1.00 0.00 H new ATOM 1902 N ALA A 111 4.088 24.659 2.458 1.00 0.00 N ATOM 1903 CA ALA A 111 2.672 24.962 2.249 1.00 0.00 C ATOM 1904 C ALA A 111 2.091 23.999 1.226 1.00 0.00 C ATOM 1905 O ALA A 111 2.304 24.163 0.022 1.00 0.00 O ATOM 1906 CB ALA A 111 2.520 26.409 1.772 1.00 0.00 C ATOM 0 H ALA A 111 4.686 24.942 1.682 1.00 0.00 H new ATOM 0 HA ALA A 111 2.130 24.845 3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.464 26.632 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 111 2.927 27.085 2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 111 3.060 26.542 0.835 1.00 0.00 H new ATOM 1912 N ILE A 112 1.362 22.999 1.711 1.00 0.00 N ATOM 1913 CA ILE A 112 0.672 22.032 0.858 1.00 0.00 C ATOM 1914 C ILE A 112 -0.607 22.695 0.331 1.00 0.00 C ATOM 1915 O ILE A 112 -1.484 23.039 1.128 1.00 0.00 O ATOM 1916 CB ILE A 112 0.293 20.730 1.653 1.00 0.00 C ATOM 1917 CG1 ILE A 112 1.514 20.172 2.443 1.00 0.00 C ATOM 1918 CG2 ILE A 112 -0.293 19.659 0.710 1.00 0.00 C ATOM 1919 CD1 ILE A 112 1.195 18.986 3.350 1.00 0.00 C ATOM 0 H ILE A 112 1.231 22.834 2.709 1.00 0.00 H new ATOM 0 HA ILE A 112 1.333 21.742 0.041 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.475 20.997 2.379 1.00 0.00 H new ATOM 0 HG12 ILE A 112 2.284 19.872 1.732 1.00 0.00 H new ATOM 0 HG13 ILE A 112 1.935 20.974 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.547 18.768 1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.190 20.049 0.229 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.444 19.402 -0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 112 2.103 18.664 3.860 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.450 19.283 4.088 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.804 18.164 2.750 1.00 0.00 H new ATOM 1931 N GLU A 113 -0.699 22.902 -0.989 1.00 0.00 N ATOM 1932 CA GLU A 113 -1.857 23.591 -1.599 1.00 0.00 C ATOM 1933 C GLU A 113 -2.999 22.555 -1.735 1.00 0.00 C ATOM 1934 O GLU A 113 -2.754 21.428 -2.119 1.00 0.00 O ATOM 1935 CB GLU A 113 -1.399 24.214 -2.958 1.00 0.00 C ATOM 1936 CG GLU A 113 -2.220 25.388 -3.538 1.00 0.00 C ATOM 1937 CD GLU A 113 -3.620 25.025 -4.041 1.00 0.00 C ATOM 1938 OE1 GLU A 113 -4.563 25.066 -3.247 1.00 0.00 O ATOM 1939 OE2 GLU A 113 -3.774 24.711 -5.244 1.00 0.00 O ATOM 0 H GLU A 113 0.010 22.605 -1.659 1.00 0.00 H new ATOM 0 HA GLU A 113 -2.234 24.413 -0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.371 24.554 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.386 23.417 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.316 26.156 -2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.659 25.829 -4.362 1.00 0.00 H new ATOM 1946 N LEU A 114 -4.222 22.918 -1.345 1.00 0.00 N ATOM 1947 CA LEU A 114 -5.374 21.989 -1.301 1.00 0.00 C ATOM 1948 C LEU A 114 -6.539 22.504 -2.161 1.00 0.00 C ATOM 1949 O LEU A 114 -7.058 23.601 -1.934 1.00 0.00 O ATOM 1950 CB LEU A 114 -5.847 21.754 0.179 1.00 0.00 C ATOM 1951 CG LEU A 114 -5.227 20.538 0.927 1.00 0.00 C ATOM 1952 CD1 LEU A 114 -5.438 19.267 0.112 1.00 0.00 C ATOM 1953 CD2 LEU A 114 -3.742 20.733 1.276 1.00 0.00 C ATOM 0 H LEU A 114 -4.452 23.866 -1.048 1.00 0.00 H new ATOM 0 HA LEU A 114 -5.045 21.036 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -5.628 22.654 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -6.930 21.634 0.175 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.746 20.448 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.002 18.419 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -6.506 19.097 -0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -4.957 19.374 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -3.371 19.850 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.170 20.882 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.631 21.606 1.919 1.00 0.00 H new ATOM 1965 N GLU A 115 -6.959 21.684 -3.133 1.00 0.00 N ATOM 1966 CA GLU A 115 -8.128 21.964 -3.988 1.00 0.00 C ATOM 1967 C GLU A 115 -9.131 20.804 -3.916 1.00 0.00 C ATOM 1968 O GLU A 115 -8.788 19.714 -3.448 1.00 0.00 O ATOM 1969 CB GLU A 115 -7.713 22.200 -5.465 1.00 0.00 C ATOM 1970 CG GLU A 115 -7.188 20.956 -6.217 1.00 0.00 C ATOM 1971 CD GLU A 115 -7.220 21.144 -7.747 1.00 0.00 C ATOM 1972 OE1 GLU A 115 -6.342 21.837 -8.299 1.00 0.00 O ATOM 1973 OE2 GLU A 115 -8.153 20.634 -8.405 1.00 0.00 O ATOM 0 H GLU A 115 -6.497 20.802 -3.352 1.00 0.00 H new ATOM 0 HA GLU A 115 -8.595 22.875 -3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -8.573 22.594 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -6.941 22.969 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.167 20.746 -5.900 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.790 20.089 -5.946 1.00 0.00 H new ATOM 1980 N ASP A 116 -10.362 21.075 -4.399 1.00 0.00 N ATOM 1981 CA ASP A 116 -11.478 20.095 -4.498 1.00 0.00 C ATOM 1982 C ASP A 116 -11.693 19.358 -3.167 1.00 0.00 C ATOM 1983 O ASP A 116 -11.684 18.119 -3.091 1.00 0.00 O ATOM 1984 CB ASP A 116 -11.253 19.099 -5.684 1.00 0.00 C ATOM 1985 CG ASP A 116 -12.476 18.194 -5.994 1.00 0.00 C ATOM 1986 OD1 ASP A 116 -13.608 18.718 -6.095 1.00 0.00 O ATOM 1987 OD2 ASP A 116 -12.314 16.965 -6.162 1.00 0.00 O ATOM 0 H ASP A 116 -10.619 22.001 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.392 20.650 -4.710 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.000 19.668 -6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -10.395 18.466 -5.455 1.00 0.00 H new ATOM 1992 N VAL A 117 -11.855 20.150 -2.107 1.00 0.00 N ATOM 1993 CA VAL A 117 -12.010 19.619 -0.765 1.00 0.00 C ATOM 1994 C VAL A 117 -13.416 19.031 -0.602 1.00 0.00 C ATOM 1995 O VAL A 117 -14.404 19.760 -0.458 1.00 0.00 O ATOM 1996 CB VAL A 117 -11.719 20.673 0.344 1.00 0.00 C ATOM 1997 CG1 VAL A 117 -11.796 20.009 1.733 1.00 0.00 C ATOM 1998 CG2 VAL A 117 -10.348 21.366 0.117 1.00 0.00 C ATOM 0 H VAL A 117 -11.882 21.168 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 117 -11.266 18.833 -0.638 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.480 21.452 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.591 20.752 2.503 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.793 19.595 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -11.058 19.209 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.174 22.096 0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -9.555 20.618 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -10.351 21.871 -0.849 1.00 0.00 H new ATOM 2008 N LYS A 118 -13.477 17.707 -0.687 1.00 0.00 N ATOM 2009 CA LYS A 118 -14.707 16.934 -0.563 1.00 0.00 C ATOM 2010 C LYS A 118 -15.065 16.723 0.920 1.00 0.00 C ATOM 2011 O LYS A 118 -14.184 16.622 1.778 1.00 0.00 O ATOM 2012 CB LYS A 118 -14.536 15.561 -1.298 1.00 0.00 C ATOM 2013 CG LYS A 118 -15.835 15.010 -1.937 1.00 0.00 C ATOM 2014 CD LYS A 118 -16.388 15.940 -3.054 1.00 0.00 C ATOM 2015 CE LYS A 118 -15.377 16.183 -4.198 1.00 0.00 C ATOM 2016 NZ LYS A 118 -15.871 17.164 -5.197 1.00 0.00 N ATOM 0 H LYS A 118 -12.653 17.128 -0.848 1.00 0.00 H new ATOM 0 HA LYS A 118 -15.526 17.483 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -13.781 15.671 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -14.156 14.827 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -15.640 14.022 -2.354 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -16.593 14.886 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -17.296 15.501 -3.467 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -16.668 16.898 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -14.437 16.540 -3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -15.164 15.238 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -15.079 17.750 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -16.289 16.658 -6.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -16.592 17.773 -4.759 1.00 0.00 H new ATOM 2030 N LYS A 119 -16.365 16.694 1.202 1.00 0.00 N ATOM 2031 CA LYS A 119 -16.904 16.318 2.515 1.00 0.00 C ATOM 2032 C LYS A 119 -17.412 14.876 2.460 1.00 0.00 C ATOM 2033 O LYS A 119 -18.088 14.490 1.498 1.00 0.00 O ATOM 2034 CB LYS A 119 -18.058 17.286 2.918 1.00 0.00 C ATOM 2035 CG LYS A 119 -17.607 18.569 3.647 1.00 0.00 C ATOM 2036 CD LYS A 119 -17.070 18.291 5.075 1.00 0.00 C ATOM 2037 CE LYS A 119 -18.069 17.578 5.994 1.00 0.00 C ATOM 2038 NZ LYS A 119 -17.619 17.592 7.400 1.00 0.00 N ATOM 0 H LYS A 119 -17.085 16.933 0.521 1.00 0.00 H new ATOM 0 HA LYS A 119 -16.117 16.391 3.265 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -18.605 17.570 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -18.756 16.748 3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -16.830 19.061 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -18.447 19.261 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.167 17.686 5.000 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -16.783 19.237 5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -19.043 18.061 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -18.198 16.548 5.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -17.700 16.635 7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -16.627 17.903 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -18.212 18.248 7.948 1.00 0.00 H new ATOM 2052 N TYR A 120 -17.073 14.086 3.485 1.00 0.00 N ATOM 2053 CA TYR A 120 -17.645 12.751 3.687 1.00 0.00 C ATOM 2054 C TYR A 120 -18.950 12.881 4.475 1.00 0.00 C ATOM 2055 O TYR A 120 -18.946 12.862 5.709 1.00 0.00 O ATOM 2056 CB TYR A 120 -16.642 11.811 4.414 1.00 0.00 C ATOM 2057 CG TYR A 120 -15.544 11.184 3.531 1.00 0.00 C ATOM 2058 CD1 TYR A 120 -15.107 11.779 2.339 1.00 0.00 C ATOM 2059 CD2 TYR A 120 -14.947 9.977 3.897 1.00 0.00 C ATOM 2060 CE1 TYR A 120 -14.125 11.191 1.566 1.00 0.00 C ATOM 2061 CE2 TYR A 120 -13.967 9.392 3.125 1.00 0.00 C ATOM 2062 CZ TYR A 120 -13.559 9.998 1.964 1.00 0.00 C ATOM 2063 OH TYR A 120 -12.585 9.401 1.196 1.00 0.00 O ATOM 0 H TYR A 120 -16.394 14.355 4.198 1.00 0.00 H new ATOM 0 HA TYR A 120 -17.854 12.302 2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -16.161 12.374 5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -17.205 11.006 4.886 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -15.546 12.713 2.020 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -15.261 9.489 4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.801 11.665 0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -13.521 8.458 3.433 1.00 0.00 H new ATOM 0 HH TYR A 120 -12.028 10.091 0.779 1.00 0.00 H new ATOM 2073 N ASP A 121 -20.056 13.076 3.742 1.00 0.00 N ATOM 2074 CA ASP A 121 -21.414 13.039 4.316 1.00 0.00 C ATOM 2075 C ASP A 121 -21.757 11.588 4.704 1.00 0.00 C ATOM 2076 O ASP A 121 -22.561 11.331 5.606 1.00 0.00 O ATOM 2077 CB ASP A 121 -22.446 13.607 3.306 1.00 0.00 C ATOM 2078 CG ASP A 121 -23.861 13.739 3.898 1.00 0.00 C ATOM 2079 OD1 ASP A 121 -24.087 14.656 4.718 1.00 0.00 O ATOM 2080 OD2 ASP A 121 -24.751 12.927 3.558 1.00 0.00 O ATOM 0 H ASP A 121 -20.038 13.263 2.739 1.00 0.00 H new ATOM 0 HA ASP A 121 -21.451 13.663 5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -22.109 14.585 2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -22.484 12.958 2.431 1.00 0.00 H new ATOM 2085 N LYS A 122 -21.106 10.647 4.005 1.00 0.00 N ATOM 2086 CA LYS A 122 -21.172 9.218 4.303 1.00 0.00 C ATOM 2087 C LYS A 122 -20.193 8.880 5.465 1.00 0.00 C ATOM 2088 O LYS A 122 -19.055 9.384 5.487 1.00 0.00 O ATOM 2089 CB LYS A 122 -20.829 8.412 3.021 1.00 0.00 C ATOM 2090 CG LYS A 122 -19.426 8.695 2.429 1.00 0.00 C ATOM 2091 CD LYS A 122 -19.228 8.098 1.019 1.00 0.00 C ATOM 2092 CE LYS A 122 -20.115 8.772 -0.044 1.00 0.00 C ATOM 2093 NZ LYS A 122 -19.818 8.281 -1.411 1.00 0.00 N ATOM 0 H LYS A 122 -20.511 10.866 3.206 1.00 0.00 H new ATOM 0 HA LYS A 122 -22.178 8.946 4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -20.904 7.348 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -21.579 8.630 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -19.268 9.773 2.386 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -18.668 8.288 3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -18.182 8.199 0.730 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -19.449 7.031 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -21.164 8.585 0.188 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -19.968 9.851 -0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -20.438 8.761 -2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -18.825 8.482 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -19.983 7.255 -1.455 1.00 0.00 H new ATOM 2107 N PRO A 123 -20.627 8.052 6.462 1.00 0.00 N ATOM 2108 CA PRO A 123 -19.780 7.672 7.613 1.00 0.00 C ATOM 2109 C PRO A 123 -18.727 6.592 7.247 1.00 0.00 C ATOM 2110 O PRO A 123 -19.007 5.388 7.282 1.00 0.00 O ATOM 2111 CB PRO A 123 -20.818 7.171 8.652 1.00 0.00 C ATOM 2112 CG PRO A 123 -21.931 6.603 7.818 1.00 0.00 C ATOM 2113 CD PRO A 123 -21.980 7.440 6.552 1.00 0.00 C ATOM 0 HA PRO A 123 -19.171 8.496 7.986 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -20.389 6.416 9.311 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -21.171 7.984 9.286 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -21.747 5.554 7.585 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -22.880 6.649 8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -22.198 6.826 5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -22.758 8.201 6.609 1.00 0.00 H new ATOM 2121 N ILE A 124 -17.522 7.048 6.852 1.00 0.00 N ATOM 2122 CA ILE A 124 -16.389 6.156 6.513 1.00 0.00 C ATOM 2123 C ILE A 124 -15.334 6.166 7.637 1.00 0.00 C ATOM 2124 O ILE A 124 -14.831 7.221 8.040 1.00 0.00 O ATOM 2125 CB ILE A 124 -15.733 6.535 5.128 1.00 0.00 C ATOM 2126 CG1 ILE A 124 -16.758 6.298 3.969 1.00 0.00 C ATOM 2127 CG2 ILE A 124 -14.404 5.761 4.874 1.00 0.00 C ATOM 2128 CD1 ILE A 124 -16.223 6.535 2.563 1.00 0.00 C ATOM 0 H ILE A 124 -17.304 8.040 6.758 1.00 0.00 H new ATOM 0 HA ILE A 124 -16.788 5.146 6.417 1.00 0.00 H new ATOM 0 HB ILE A 124 -15.473 7.593 5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -17.121 5.272 4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -17.616 6.951 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -13.990 6.055 3.909 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -13.689 5.997 5.662 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -14.602 4.689 4.872 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -17.012 6.343 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -15.888 7.568 2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -15.385 5.864 2.375 1.00 0.00 H new ATOM 2140 N LYS A 125 -15.022 4.960 8.128 1.00 0.00 N ATOM 2141 CA LYS A 125 -14.032 4.718 9.192 1.00 0.00 C ATOM 2142 C LYS A 125 -12.670 4.355 8.552 1.00 0.00 C ATOM 2143 O LYS A 125 -12.646 3.726 7.493 1.00 0.00 O ATOM 2144 CB LYS A 125 -14.536 3.587 10.151 1.00 0.00 C ATOM 2145 CG LYS A 125 -15.678 3.998 11.119 1.00 0.00 C ATOM 2146 CD LYS A 125 -17.018 4.324 10.415 1.00 0.00 C ATOM 2147 CE LYS A 125 -18.111 4.772 11.397 1.00 0.00 C ATOM 2148 NZ LYS A 125 -18.398 3.730 12.423 1.00 0.00 N ATOM 0 H LYS A 125 -15.460 4.103 7.790 1.00 0.00 H new ATOM 0 HA LYS A 125 -13.902 5.621 9.788 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -14.879 2.747 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -13.692 3.231 10.742 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -15.842 3.191 11.833 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -15.359 4.870 11.691 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -16.854 5.110 9.677 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -17.362 3.444 9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -17.800 5.692 11.891 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -19.023 4.999 10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -19.240 4.003 12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -18.571 2.819 11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -17.584 3.640 13.064 1.00 0.00 H new ATOM 2162 N PRO A 126 -11.518 4.715 9.199 1.00 0.00 N ATOM 2163 CA PRO A 126 -10.170 4.606 8.582 1.00 0.00 C ATOM 2164 C PRO A 126 -9.610 3.169 8.574 1.00 0.00 C ATOM 2165 O PRO A 126 -10.251 2.230 9.065 1.00 0.00 O ATOM 2166 CB PRO A 126 -9.330 5.536 9.483 1.00 0.00 C ATOM 2167 CG PRO A 126 -9.938 5.368 10.839 1.00 0.00 C ATOM 2168 CD PRO A 126 -11.427 5.225 10.599 1.00 0.00 C ATOM 0 HA PRO A 126 -10.171 4.878 7.526 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -8.278 5.252 9.479 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -9.382 6.572 9.147 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -9.536 4.490 11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -9.723 6.227 11.475 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -11.881 4.532 11.307 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -11.943 6.179 10.711 1.00 0.00 H new ATOM 2176 N LYS A 127 -8.404 3.024 7.993 1.00 0.00 N ATOM 2177 CA LYS A 127 -7.647 1.753 7.994 1.00 0.00 C ATOM 2178 C LYS A 127 -6.837 1.622 9.290 1.00 0.00 C ATOM 2179 O LYS A 127 -6.736 0.531 9.863 1.00 0.00 O ATOM 2180 CB LYS A 127 -6.689 1.644 6.763 1.00 0.00 C ATOM 2181 CG LYS A 127 -7.365 1.244 5.432 1.00 0.00 C ATOM 2182 CD LYS A 127 -8.260 2.343 4.817 1.00 0.00 C ATOM 2183 CE LYS A 127 -8.897 1.880 3.495 1.00 0.00 C ATOM 2184 NZ LYS A 127 -9.677 2.950 2.828 1.00 0.00 N ATOM 0 H LYS A 127 -7.925 3.783 7.509 1.00 0.00 H new ATOM 0 HA LYS A 127 -8.372 0.942 7.928 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -6.192 2.604 6.625 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -5.913 0.913 6.991 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -6.592 0.976 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.968 0.352 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -9.044 2.613 5.525 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -7.667 3.240 4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.113 1.534 2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -9.549 1.029 3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.083 2.584 1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -10.443 3.264 3.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -9.052 3.754 2.615 1.00 0.00 H new ATOM 2198 N ARG A 128 -6.274 2.750 9.751 1.00 0.00 N ATOM 2199 CA ARG A 128 -5.388 2.784 10.932 1.00 0.00 C ATOM 2200 C ARG A 128 -5.632 4.050 11.760 1.00 0.00 C ATOM 2201 O ARG A 128 -6.281 5.001 11.286 1.00 0.00 O ATOM 2202 CB ARG A 128 -3.902 2.709 10.482 1.00 0.00 C ATOM 2203 CG ARG A 128 -3.362 3.962 9.746 1.00 0.00 C ATOM 2204 CD ARG A 128 -1.922 3.772 9.223 1.00 0.00 C ATOM 2205 NE ARG A 128 -0.988 3.377 10.303 1.00 0.00 N ATOM 2206 CZ ARG A 128 -0.288 2.225 10.359 1.00 0.00 C ATOM 2207 NH1 ARG A 128 -0.415 1.296 9.412 1.00 0.00 N ATOM 2208 NH2 ARG A 128 0.524 2.001 11.382 1.00 0.00 N ATOM 0 H ARG A 128 -6.418 3.663 9.319 1.00 0.00 H new ATOM 0 HA ARG A 128 -5.613 1.921 11.559 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -3.283 2.531 11.361 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.782 1.845 9.828 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -4.020 4.198 8.909 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -3.388 4.816 10.423 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -1.917 3.011 8.443 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -1.577 4.699 8.766 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.863 4.034 11.073 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.049 1.450 8.628 1.00 0.00 H new ATOM 0 HH12 ARG A 128 0.122 0.431 9.471 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.617 2.698 12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.056 1.132 11.430 1.00 0.00 H new ATOM 2222 N LEU A 129 -5.093 4.041 12.994 1.00 0.00 N ATOM 2223 CA LEU A 129 -5.112 5.204 13.893 1.00 0.00 C ATOM 2224 C LEU A 129 -4.236 6.326 13.311 1.00 0.00 C ATOM 2225 O LEU A 129 -3.131 6.069 12.809 1.00 0.00 O ATOM 2226 CB LEU A 129 -4.647 4.842 15.344 1.00 0.00 C ATOM 2227 CG LEU A 129 -3.130 4.491 15.571 1.00 0.00 C ATOM 2228 CD1 LEU A 129 -2.771 4.502 17.071 1.00 0.00 C ATOM 2229 CD2 LEU A 129 -2.745 3.138 14.937 1.00 0.00 C ATOM 0 H LEU A 129 -4.632 3.224 13.394 1.00 0.00 H new ATOM 0 HA LEU A 129 -6.144 5.547 13.967 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -4.895 5.682 15.993 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -5.240 3.992 15.682 1.00 0.00 H new ATOM 0 HG LEU A 129 -2.552 5.267 15.070 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -1.716 4.256 17.195 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -2.963 5.492 17.484 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -3.379 3.766 17.596 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.689 2.938 15.119 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -3.346 2.344 15.380 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -2.927 3.175 13.863 1.00 0.00 H new ATOM 2241 N VAL A 130 -4.755 7.562 13.336 1.00 0.00 N ATOM 2242 CA VAL A 130 -4.040 8.745 12.837 1.00 0.00 C ATOM 2243 C VAL A 130 -3.831 9.736 14.001 1.00 0.00 C ATOM 2244 O VAL A 130 -4.787 10.404 14.422 1.00 0.00 O ATOM 2245 CB VAL A 130 -4.805 9.431 11.641 1.00 0.00 C ATOM 2246 CG1 VAL A 130 -3.994 10.609 11.041 1.00 0.00 C ATOM 2247 CG2 VAL A 130 -5.185 8.398 10.545 1.00 0.00 C ATOM 0 H VAL A 130 -5.684 7.770 13.703 1.00 0.00 H new ATOM 0 HA VAL A 130 -3.072 8.430 12.449 1.00 0.00 H new ATOM 0 HB VAL A 130 -5.729 9.843 12.045 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -4.554 11.056 10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -3.819 11.360 11.811 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -3.038 10.241 10.670 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -5.711 8.904 9.735 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -4.280 7.932 10.155 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -5.831 7.632 10.975 1.00 0.00 H new ATOM 2257 N PRO A 131 -2.582 9.795 14.587 1.00 0.00 N ATOM 2258 CA PRO A 131 -2.214 10.792 15.631 1.00 0.00 C ATOM 2259 C PRO A 131 -2.185 12.232 15.079 1.00 0.00 C ATOM 2260 O PRO A 131 -2.396 12.442 13.883 1.00 0.00 O ATOM 2261 CB PRO A 131 -0.795 10.330 16.094 1.00 0.00 C ATOM 2262 CG PRO A 131 -0.658 8.927 15.589 1.00 0.00 C ATOM 2263 CD PRO A 131 -1.440 8.887 14.301 1.00 0.00 C ATOM 0 HA PRO A 131 -2.939 10.825 16.444 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -0.017 10.974 15.684 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -0.702 10.369 17.179 1.00 0.00 H new ATOM 0 HG2 PRO A 131 0.388 8.670 15.422 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -1.051 8.210 16.310 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -0.847 9.236 13.456 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -1.775 7.878 14.061 1.00 0.00 H new ATOM 2271 N VAL A 132 -1.883 13.205 15.962 1.00 0.00 N ATOM 2272 CA VAL A 132 -1.806 14.649 15.608 1.00 0.00 C ATOM 2273 C VAL A 132 -0.728 14.900 14.523 1.00 0.00 C ATOM 2274 O VAL A 132 -0.885 15.773 13.658 1.00 0.00 O ATOM 2275 CB VAL A 132 -1.535 15.543 16.885 1.00 0.00 C ATOM 2276 CG1 VAL A 132 -1.528 17.062 16.544 1.00 0.00 C ATOM 2277 CG2 VAL A 132 -2.567 15.230 18.007 1.00 0.00 C ATOM 0 H VAL A 132 -1.684 13.018 16.945 1.00 0.00 H new ATOM 0 HA VAL A 132 -2.774 14.938 15.198 1.00 0.00 H new ATOM 0 HB VAL A 132 -0.540 15.292 17.251 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.338 17.637 17.450 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -0.746 17.267 15.813 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.495 17.346 16.129 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.362 15.856 18.875 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.574 15.434 17.643 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -2.489 14.180 18.290 1.00 0.00 H new ATOM 2287 N GLY A 133 0.336 14.072 14.557 1.00 0.00 N ATOM 2288 CA GLY A 133 1.426 14.132 13.575 1.00 0.00 C ATOM 2289 C GLY A 133 1.050 13.608 12.181 1.00 0.00 C ATOM 2290 O GLY A 133 1.813 13.798 11.227 1.00 0.00 O ATOM 0 H GLY A 133 0.459 13.348 15.265 1.00 0.00 H new ATOM 0 HA2 GLY A 133 1.761 15.165 13.484 1.00 0.00 H new ATOM 0 HA3 GLY A 133 2.271 13.555 13.952 1.00 0.00 H new ATOM 2294 N GLY A 134 -0.111 12.926 12.078 1.00 0.00 N ATOM 2295 CA GLY A 134 -0.667 12.477 10.790 1.00 0.00 C ATOM 2296 C GLY A 134 -0.031 11.189 10.262 1.00 0.00 C ATOM 2297 O GLY A 134 1.082 10.830 10.654 1.00 0.00 O ATOM 0 H GLY A 134 -0.684 12.674 12.883 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -1.740 12.323 10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -0.534 13.267 10.051 1.00 0.00 H new ATOM 2301 N GLN A 135 -0.757 10.480 9.380 1.00 0.00 N ATOM 2302 CA GLN A 135 -0.278 9.234 8.732 1.00 0.00 C ATOM 2303 C GLN A 135 -0.196 9.419 7.218 1.00 0.00 C ATOM 2304 O GLN A 135 -0.998 10.143 6.644 1.00 0.00 O ATOM 2305 CB GLN A 135 -1.234 8.041 9.043 1.00 0.00 C ATOM 2306 CG GLN A 135 -1.322 7.646 10.521 1.00 0.00 C ATOM 2307 CD GLN A 135 0.006 7.168 11.103 1.00 0.00 C ATOM 2308 OE1 GLN A 135 0.335 5.986 11.041 1.00 0.00 O ATOM 2309 NE2 GLN A 135 0.783 8.087 11.657 1.00 0.00 N ATOM 0 H GLN A 135 -1.697 10.751 9.092 1.00 0.00 H new ATOM 0 HA GLN A 135 0.712 9.014 9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.234 8.296 8.691 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -0.906 7.174 8.470 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.675 8.501 11.097 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -2.065 6.856 10.634 1.00 0.00 H new ATOM 0 HE21 GLN A 135 0.478 9.060 11.691 1.00 0.00 H new ATOM 0 HE22 GLN A 135 1.686 7.822 12.049 1.00 0.00 H new ATOM 2318 N TYR A 136 0.771 8.754 6.575 1.00 0.00 N ATOM 2319 CA TYR A 136 0.806 8.633 5.108 1.00 0.00 C ATOM 2320 C TYR A 136 -0.209 7.562 4.684 1.00 0.00 C ATOM 2321 O TYR A 136 -0.044 6.380 5.013 1.00 0.00 O ATOM 2322 CB TYR A 136 2.241 8.297 4.580 1.00 0.00 C ATOM 2323 CG TYR A 136 3.054 9.529 4.147 1.00 0.00 C ATOM 2324 CD1 TYR A 136 2.545 10.405 3.180 1.00 0.00 C ATOM 2325 CD2 TYR A 136 4.314 9.818 4.684 1.00 0.00 C ATOM 2326 CE1 TYR A 136 3.256 11.513 2.771 1.00 0.00 C ATOM 2327 CE2 TYR A 136 5.029 10.928 4.269 1.00 0.00 C ATOM 2328 CZ TYR A 136 4.494 11.770 3.312 1.00 0.00 C ATOM 2329 OH TYR A 136 5.215 12.866 2.887 1.00 0.00 O ATOM 0 H TYR A 136 1.545 8.288 7.049 1.00 0.00 H new ATOM 0 HA TYR A 136 0.538 9.592 4.665 1.00 0.00 H new ATOM 0 HB2 TYR A 136 2.789 7.769 5.360 1.00 0.00 H new ATOM 0 HB3 TYR A 136 2.155 7.616 3.734 1.00 0.00 H new ATOM 0 HD1 TYR A 136 1.576 10.208 2.746 1.00 0.00 H new ATOM 0 HD2 TYR A 136 4.735 9.165 5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 136 2.842 12.178 2.027 1.00 0.00 H new ATOM 0 HE2 TYR A 136 6.001 11.136 4.691 1.00 0.00 H new ATOM 0 HH TYR A 136 4.717 13.685 3.093 1.00 0.00 H new ATOM 2339 N LEU A 137 -1.273 7.998 3.994 1.00 0.00 N ATOM 2340 CA LEU A 137 -2.310 7.106 3.469 1.00 0.00 C ATOM 2341 C LEU A 137 -1.776 6.474 2.171 1.00 0.00 C ATOM 2342 O LEU A 137 -1.312 7.183 1.271 1.00 0.00 O ATOM 2343 CB LEU A 137 -3.643 7.892 3.218 1.00 0.00 C ATOM 2344 CG LEU A 137 -4.988 7.129 3.501 1.00 0.00 C ATOM 2345 CD1 LEU A 137 -6.199 7.962 3.043 1.00 0.00 C ATOM 2346 CD2 LEU A 137 -5.019 5.714 2.875 1.00 0.00 C ATOM 0 H LEU A 137 -1.436 8.983 3.785 1.00 0.00 H new ATOM 0 HA LEU A 137 -2.539 6.323 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -3.627 8.790 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -3.652 8.219 2.178 1.00 0.00 H new ATOM 0 HG LEU A 137 -5.048 6.992 4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -7.118 7.413 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -6.214 8.909 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.124 8.155 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.971 5.236 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -4.902 5.792 1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -4.205 5.116 3.286 1.00 0.00 H new ATOM 2358 N ARG A 138 -1.851 5.148 2.074 1.00 0.00 N ATOM 2359 CA ARG A 138 -1.312 4.404 0.931 1.00 0.00 C ATOM 2360 C ARG A 138 -2.280 3.299 0.506 1.00 0.00 C ATOM 2361 O ARG A 138 -2.821 2.589 1.364 1.00 0.00 O ATOM 2362 CB ARG A 138 0.112 3.839 1.243 1.00 0.00 C ATOM 2363 CG ARG A 138 0.245 2.786 2.370 1.00 0.00 C ATOM 2364 CD ARG A 138 0.004 3.354 3.783 1.00 0.00 C ATOM 2365 NE ARG A 138 0.316 2.380 4.848 1.00 0.00 N ATOM 2366 CZ ARG A 138 0.693 2.697 6.106 1.00 0.00 C ATOM 2367 NH1 ARG A 138 0.731 3.969 6.519 1.00 0.00 N ATOM 2368 NH2 ARG A 138 1.013 1.731 6.954 1.00 0.00 N ATOM 0 H ARG A 138 -2.286 4.557 2.783 1.00 0.00 H new ATOM 0 HA ARG A 138 -1.205 5.093 0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 138 0.505 3.399 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 138 0.758 4.681 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -0.465 1.979 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 138 1.242 2.348 2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 138 0.615 4.246 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -1.037 3.664 3.873 1.00 0.00 H new ATOM 0 HE ARG A 138 0.241 1.390 4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 138 0.472 4.721 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 138 1.019 4.187 7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 138 0.974 0.756 6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 138 1.299 1.962 7.906 1.00 0.00 H new ATOM 2382 N GLU A 139 -2.517 3.166 -0.818 1.00 0.00 N ATOM 2383 CA GLU A 139 -3.393 2.106 -1.342 1.00 0.00 C ATOM 2384 C GLU A 139 -2.606 0.779 -1.374 1.00 0.00 C ATOM 2385 O GLU A 139 -2.734 -0.031 -0.431 1.00 0.00 O ATOM 2386 CB GLU A 139 -3.947 2.493 -2.743 1.00 0.00 C ATOM 2387 CG GLU A 139 -4.917 1.477 -3.385 1.00 0.00 C ATOM 2388 CD GLU A 139 -6.112 1.114 -2.483 1.00 0.00 C ATOM 2389 OE1 GLU A 139 -7.066 1.923 -2.387 1.00 0.00 O ATOM 2390 OE2 GLU A 139 -6.097 0.025 -1.857 1.00 0.00 O ATOM 2391 OXT GLU A 139 -1.816 0.580 -2.308 1.00 0.00 O ATOM 0 H GLU A 139 -2.117 3.774 -1.532 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.257 1.980 -0.690 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -4.458 3.452 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -3.104 2.639 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.291 1.887 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -4.368 0.568 -3.631 1.00 0.00 H new