USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1024 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 19 MET CE :methyl -170:sc= -0.973 (180deg=-0.689) USER MOD Set 1.2: A 115 MET CE :methyl -122:sc= -1.48 (180deg=-2.08) USER MOD Single : A 9 GLN : amide:sc= -0.0304 K(o=-0.03,f=-1.5!) USER MOD Single : A 10 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.24) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.745) USER MOD Single : A 31 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.4!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 50:sc= 0.0197 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.27! C(o=-3.3!,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= -1.42! (180deg=-1.62!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.322) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.055 F(o=-0.67,f=-0.055) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -179:sc= -0.46 USER MOD Single : A 89 TYR OH : rot -45:sc= 0.0964 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 75:sc= 0.0946 USER MOD Single : A 93 THR OG1 : rot 75:sc= 0.897 USER MOD Single : A 94 HIS :FLIP no HE2:sc= -1.6 F(o=-3.3!,f=-1.6) USER MOD Single : A 95 ASN : amide:sc= -0.0657 K(o=-0.066,f=-0.59) USER MOD Single : A 97 LYS NZ :NH3+ -159:sc= -0.0666 (180deg=-0.362) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot -144:sc= 0.222 USER MOD Single : A 108 GLN : amide:sc= 0.0496 K(o=0.05,f=-0.92) USER MOD Single : A 110 HIS : no HD1:sc= -1.58 X(o=-1.6,f=-1.5) USER MOD Single : A 112 TYR OH : rot -171:sc= 0.0754 USER MOD Single : A 113 LYS NZ :NH3+ -110:sc= -1.97 (180deg=-4.5!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -52:sc= 0.00735 USER MOD Single : A 119 SER OG : rot -88:sc= -0.969 USER MOD Single : A 120 TYR OH : rot 180:sc= 0.282 USER MOD Single : A 126 SER OG : rot 157:sc= 0.181 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 22:sc= -1.02 USER MOD Single : A 130 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 9 -18.878 9.329 2.261 1.00 0.00 N ATOM 78 CA GLN A 9 -19.192 8.546 1.072 1.00 0.00 C ATOM 79 C GLN A 9 -18.535 9.148 -0.166 1.00 0.00 C ATOM 80 O GLN A 9 -17.974 8.430 -0.993 1.00 0.00 O ATOM 81 CB GLN A 9 -20.706 8.468 0.872 1.00 0.00 C ATOM 82 CG GLN A 9 -21.115 7.799 -0.430 1.00 0.00 C ATOM 83 CD GLN A 9 -22.595 7.475 -0.481 1.00 0.00 C ATOM 84 OE1 GLN A 9 -23.266 7.420 0.550 1.00 0.00 O ATOM 85 NE2 GLN A 9 -23.113 7.258 -1.684 1.00 0.00 N ATOM 0 HA GLN A 9 -18.799 7.540 1.217 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -21.146 7.921 1.706 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -21.120 9.476 0.898 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -20.861 8.452 -1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -20.542 6.881 -0.558 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -22.520 7.314 -2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -24.104 7.035 -1.780 1.00 0.00 H new ATOM 94 N GLN A 10 -18.608 10.470 -0.285 1.00 0.00 N ATOM 95 CA GLN A 10 -18.021 11.168 -1.423 1.00 0.00 C ATOM 96 C GLN A 10 -16.500 11.052 -1.406 1.00 0.00 C ATOM 97 O GLN A 10 -15.877 10.791 -2.435 1.00 0.00 O ATOM 98 CB GLN A 10 -18.433 12.641 -1.412 1.00 0.00 C ATOM 99 CG GLN A 10 -19.934 12.854 -1.520 1.00 0.00 C ATOM 100 CD GLN A 10 -20.582 11.939 -2.541 1.00 0.00 C ATOM 101 OE1 GLN A 10 -20.478 12.165 -3.747 1.00 0.00 O ATOM 102 NE2 GLN A 10 -21.255 10.900 -2.063 1.00 0.00 N ATOM 0 H GLN A 10 -19.068 11.079 0.392 1.00 0.00 H new ATOM 0 HA GLN A 10 -18.392 10.701 -2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -18.074 13.103 -0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -17.941 13.153 -2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -20.392 12.686 -0.545 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -20.131 13.891 -1.791 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -21.315 10.751 -1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -21.712 10.250 -2.703 1.00 0.00 H new ATOM 111 N ARG A 11 -15.910 11.249 -0.232 1.00 0.00 N ATOM 112 CA ARG A 11 -14.462 11.168 -0.082 1.00 0.00 C ATOM 113 C ARG A 11 -13.928 9.859 -0.655 1.00 0.00 C ATOM 114 O ARG A 11 -12.930 9.845 -1.377 1.00 0.00 O ATOM 115 CB ARG A 11 -14.073 11.289 1.392 1.00 0.00 C ATOM 116 CG ARG A 11 -12.706 11.916 1.612 1.00 0.00 C ATOM 117 CD ARG A 11 -12.797 13.431 1.707 1.00 0.00 C ATOM 118 NE ARG A 11 -11.553 14.025 2.190 1.00 0.00 N ATOM 119 CZ ARG A 11 -11.177 15.268 1.914 1.00 0.00 C ATOM 120 NH1 ARG A 11 -11.944 16.045 1.162 1.00 0.00 N ATOM 121 NH2 ARG A 11 -10.030 15.737 2.390 1.00 0.00 N ATOM 0 H ARG A 11 -16.412 11.466 0.629 1.00 0.00 H new ATOM 0 HA ARG A 11 -14.018 11.995 -0.637 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -14.824 11.885 1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -14.086 10.298 1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -12.265 11.519 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.042 11.641 0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.038 13.842 0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.613 13.704 2.376 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.940 13.454 2.771 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.826 15.688 0.794 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.652 17.000 0.952 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.437 15.142 2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.742 16.692 2.177 1.00 0.00 H new ATOM 135 N VAL A 12 -14.599 8.759 -0.328 1.00 0.00 N ATOM 136 CA VAL A 12 -14.192 7.444 -0.810 1.00 0.00 C ATOM 137 C VAL A 12 -13.977 7.454 -2.319 1.00 0.00 C ATOM 138 O VAL A 12 -12.884 7.158 -2.803 1.00 0.00 O ATOM 139 CB VAL A 12 -15.239 6.370 -0.459 1.00 0.00 C ATOM 140 CG1 VAL A 12 -14.808 5.011 -0.989 1.00 0.00 C ATOM 141 CG2 VAL A 12 -15.465 6.317 1.044 1.00 0.00 C ATOM 0 H VAL A 12 -15.426 8.752 0.268 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.252 7.202 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 12 -16.182 6.638 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -15.560 4.265 -0.732 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.702 5.060 -2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.853 4.733 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.208 5.553 1.274 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.528 6.074 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -15.822 7.286 1.393 1.00 0.00 H new ATOM 151 N LYS A 13 -15.026 7.798 -3.059 1.00 0.00 N ATOM 152 CA LYS A 13 -14.952 7.849 -4.514 1.00 0.00 C ATOM 153 C LYS A 13 -13.625 8.445 -4.971 1.00 0.00 C ATOM 154 O LYS A 13 -13.016 7.968 -5.929 1.00 0.00 O ATOM 155 CB LYS A 13 -16.114 8.672 -5.075 1.00 0.00 C ATOM 156 CG LYS A 13 -16.285 8.537 -6.578 1.00 0.00 C ATOM 157 CD LYS A 13 -17.019 7.258 -6.943 1.00 0.00 C ATOM 158 CE LYS A 13 -17.318 7.193 -8.433 1.00 0.00 C ATOM 159 NZ LYS A 13 -18.583 7.900 -8.776 1.00 0.00 N ATOM 0 H LYS A 13 -15.938 8.046 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.021 6.829 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -17.037 8.364 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.957 9.722 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.836 9.396 -6.961 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.307 8.546 -7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -16.417 6.397 -6.654 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.951 7.199 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.492 7.636 -8.989 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.389 6.151 -8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.751 7.833 -9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.376 7.461 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.507 8.900 -8.503 1.00 0.00 H new ATOM 173 N ARG A 14 -13.181 9.490 -4.279 1.00 0.00 N ATOM 174 CA ARG A 14 -11.926 10.151 -4.615 1.00 0.00 C ATOM 175 C ARG A 14 -10.788 9.139 -4.713 1.00 0.00 C ATOM 176 O ARG A 14 -9.959 9.209 -5.620 1.00 0.00 O ATOM 177 CB ARG A 14 -11.588 11.213 -3.567 1.00 0.00 C ATOM 178 CG ARG A 14 -10.802 12.389 -4.123 1.00 0.00 C ATOM 179 CD ARG A 14 -11.658 13.245 -5.045 1.00 0.00 C ATOM 180 NE ARG A 14 -12.735 13.917 -4.324 1.00 0.00 N ATOM 181 CZ ARG A 14 -13.435 14.929 -4.825 1.00 0.00 C ATOM 182 NH1 ARG A 14 -13.171 15.383 -6.042 1.00 0.00 N ATOM 183 NH2 ARG A 14 -14.400 15.489 -4.108 1.00 0.00 N ATOM 0 H ARG A 14 -13.672 9.897 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.046 10.633 -5.585 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.513 11.582 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.014 10.750 -2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.428 12.999 -3.301 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.933 12.022 -4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -11.030 13.989 -5.535 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -12.083 12.619 -5.830 1.00 0.00 H new ATOM 0 HE ARG A 14 -12.962 13.592 -3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -12.429 14.955 -6.596 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.710 16.160 -6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -14.605 15.143 -3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -14.937 16.266 -4.494 1.00 0.00 H new ATOM 197 N TRP A 15 -10.756 8.200 -3.774 1.00 0.00 N ATOM 198 CA TRP A 15 -9.719 7.174 -3.755 1.00 0.00 C ATOM 199 C TRP A 15 -9.714 6.381 -5.057 1.00 0.00 C ATOM 200 O TRP A 15 -8.711 5.766 -5.416 1.00 0.00 O ATOM 201 CB TRP A 15 -9.929 6.230 -2.570 1.00 0.00 C ATOM 202 CG TRP A 15 -10.311 6.939 -1.306 1.00 0.00 C ATOM 203 CD1 TRP A 15 -10.060 8.244 -0.991 1.00 0.00 C ATOM 204 CD2 TRP A 15 -11.011 6.381 -0.188 1.00 0.00 C ATOM 205 NE1 TRP A 15 -10.562 8.531 0.256 1.00 0.00 N ATOM 206 CE2 TRP A 15 -11.150 7.405 0.769 1.00 0.00 C ATOM 207 CE3 TRP A 15 -11.534 5.118 0.096 1.00 0.00 C ATOM 208 CZ2 TRP A 15 -11.790 7.202 1.988 1.00 0.00 C ATOM 209 CZ3 TRP A 15 -12.169 4.917 1.307 1.00 0.00 C ATOM 210 CH2 TRP A 15 -12.294 5.954 2.241 1.00 0.00 C ATOM 0 H TRP A 15 -11.435 8.128 -3.017 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.754 7.670 -3.650 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -10.706 5.509 -2.823 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -9.013 5.665 -2.398 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -9.543 8.947 -1.628 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -10.506 9.436 0.724 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -11.444 4.313 -0.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -11.886 8.000 2.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -12.576 3.944 1.537 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -12.797 5.766 3.178 1.00 0.00 H new ATOM 221 N GLY A 16 -10.841 6.401 -5.763 1.00 0.00 N ATOM 222 CA GLY A 16 -10.943 5.681 -7.018 1.00 0.00 C ATOM 223 C GLY A 16 -10.265 6.408 -8.162 1.00 0.00 C ATOM 224 O GLY A 16 -10.731 6.361 -9.300 1.00 0.00 O ATOM 0 H GLY A 16 -11.685 6.903 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.496 4.693 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -11.995 5.529 -7.261 1.00 0.00 H new ATOM 228 N PHE A 17 -9.162 7.085 -7.859 1.00 0.00 N ATOM 229 CA PHE A 17 -8.420 7.829 -8.870 1.00 0.00 C ATOM 230 C PHE A 17 -6.916 7.702 -8.643 1.00 0.00 C ATOM 231 O PHE A 17 -6.352 8.356 -7.768 1.00 0.00 O ATOM 232 CB PHE A 17 -8.828 9.304 -8.851 1.00 0.00 C ATOM 233 CG PHE A 17 -10.288 9.525 -9.125 1.00 0.00 C ATOM 234 CD1 PHE A 17 -10.884 8.988 -10.254 1.00 0.00 C ATOM 235 CD2 PHE A 17 -11.064 10.272 -8.253 1.00 0.00 C ATOM 236 CE1 PHE A 17 -12.227 9.190 -10.509 1.00 0.00 C ATOM 237 CE2 PHE A 17 -12.408 10.477 -8.502 1.00 0.00 C ATOM 238 CZ PHE A 17 -12.990 9.936 -9.632 1.00 0.00 C ATOM 0 H PHE A 17 -8.763 7.134 -6.922 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.660 7.406 -9.846 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.581 9.729 -7.878 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.241 9.845 -9.593 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.292 8.404 -10.943 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.614 10.699 -7.369 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -12.679 8.765 -11.393 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.003 11.060 -7.814 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.040 10.096 -9.829 1.00 0.00 H new ATOM 248 N GLY A 18 -6.273 6.854 -9.441 1.00 0.00 N ATOM 249 CA GLY A 18 -4.841 6.656 -9.311 1.00 0.00 C ATOM 250 C GLY A 18 -4.423 6.365 -7.884 1.00 0.00 C ATOM 251 O GLY A 18 -5.262 6.078 -7.030 1.00 0.00 O ATOM 0 H GLY A 18 -6.718 6.301 -10.174 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.532 5.831 -9.952 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.321 7.546 -9.664 1.00 0.00 H new ATOM 255 N MET A 19 -3.121 6.438 -7.624 1.00 0.00 N ATOM 256 CA MET A 19 -2.593 6.179 -6.289 1.00 0.00 C ATOM 257 C MET A 19 -2.492 7.472 -5.485 1.00 0.00 C ATOM 258 O MET A 19 -2.860 7.514 -4.311 1.00 0.00 O ATOM 259 CB MET A 19 -1.220 5.513 -6.381 1.00 0.00 C ATOM 260 CG MET A 19 -0.838 4.732 -5.134 1.00 0.00 C ATOM 261 SD MET A 19 0.318 3.392 -5.479 1.00 0.00 S ATOM 262 CE MET A 19 1.633 4.284 -6.304 1.00 0.00 C ATOM 0 H MET A 19 -2.413 6.674 -8.319 1.00 0.00 H new ATOM 0 HA MET A 19 -3.281 5.506 -5.777 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.208 4.840 -7.239 1.00 0.00 H new ATOM 0 HB3 MET A 19 -0.466 6.278 -6.566 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.394 5.411 -4.407 1.00 0.00 H new ATOM 0 HG3 MET A 19 -1.739 4.321 -4.678 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.338 3.574 -6.736 1.00 0.00 H new ATOM 0 HE2 MET A 19 1.211 4.904 -7.095 1.00 0.00 H new ATOM 0 HE3 MET A 19 2.151 4.917 -5.584 1.00 0.00 H new ATOM 272 N ASP A 20 -1.989 8.522 -6.124 1.00 0.00 N ATOM 273 CA ASP A 20 -1.840 9.816 -5.468 1.00 0.00 C ATOM 274 C ASP A 20 -3.002 10.081 -4.516 1.00 0.00 C ATOM 275 O ASP A 20 -2.797 10.418 -3.351 1.00 0.00 O ATOM 276 CB ASP A 20 -1.753 10.933 -6.510 1.00 0.00 C ATOM 277 CG ASP A 20 -0.831 10.581 -7.660 1.00 0.00 C ATOM 278 OD1 ASP A 20 -1.241 9.778 -8.524 1.00 0.00 O ATOM 279 OD2 ASP A 20 0.301 11.108 -7.697 1.00 0.00 O ATOM 0 H ASP A 20 -1.678 8.503 -7.095 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.917 9.797 -4.889 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.750 11.142 -6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.399 11.846 -6.031 1.00 0.00 H new ATOM 284 N GLU A 21 -4.222 9.926 -5.022 1.00 0.00 N ATOM 285 CA GLU A 21 -5.416 10.150 -4.217 1.00 0.00 C ATOM 286 C GLU A 21 -5.487 9.156 -3.060 1.00 0.00 C ATOM 287 O GLU A 21 -5.481 9.545 -1.893 1.00 0.00 O ATOM 288 CB GLU A 21 -6.672 10.031 -5.083 1.00 0.00 C ATOM 289 CG GLU A 21 -6.795 11.126 -6.129 1.00 0.00 C ATOM 290 CD GLU A 21 -6.527 12.507 -5.563 1.00 0.00 C ATOM 291 OE1 GLU A 21 -5.343 12.844 -5.353 1.00 0.00 O ATOM 292 OE2 GLU A 21 -7.502 13.252 -5.329 1.00 0.00 O ATOM 0 H GLU A 21 -4.409 9.646 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.361 11.158 -3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.669 9.062 -5.582 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.551 10.055 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.095 10.928 -6.941 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.796 11.102 -6.559 1.00 0.00 H new ATOM 299 N ALA A 22 -5.555 7.872 -3.395 1.00 0.00 N ATOM 300 CA ALA A 22 -5.626 6.822 -2.386 1.00 0.00 C ATOM 301 C ALA A 22 -4.717 7.137 -1.202 1.00 0.00 C ATOM 302 O ALA A 22 -5.094 6.936 -0.047 1.00 0.00 O ATOM 303 CB ALA A 22 -5.255 5.478 -2.996 1.00 0.00 C ATOM 0 H ALA A 22 -5.562 7.534 -4.357 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.652 6.772 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.312 4.703 -2.231 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.947 5.242 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.240 5.525 -3.390 1.00 0.00 H new ATOM 309 N LEU A 23 -3.519 7.630 -1.496 1.00 0.00 N ATOM 310 CA LEU A 23 -2.556 7.972 -0.456 1.00 0.00 C ATOM 311 C LEU A 23 -2.999 9.215 0.309 1.00 0.00 C ATOM 312 O LEU A 23 -3.041 9.219 1.540 1.00 0.00 O ATOM 313 CB LEU A 23 -1.174 8.202 -1.068 1.00 0.00 C ATOM 314 CG LEU A 23 -0.703 7.152 -2.076 1.00 0.00 C ATOM 315 CD1 LEU A 23 0.367 7.731 -2.989 1.00 0.00 C ATOM 316 CD2 LEU A 23 -0.182 5.917 -1.356 1.00 0.00 C ATOM 0 H LEU A 23 -3.191 7.802 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.502 7.137 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.174 9.175 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.445 8.253 -0.260 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.554 6.857 -2.690 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.690 6.970 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.040 8.584 -3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.219 8.054 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.149 5.181 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.656 6.195 -0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.977 5.489 -0.745 1.00 0.00 H new ATOM 328 N LYS A 24 -3.331 10.270 -0.428 1.00 0.00 N ATOM 329 CA LYS A 24 -3.775 11.519 0.179 1.00 0.00 C ATOM 330 C LYS A 24 -4.614 11.251 1.425 1.00 0.00 C ATOM 331 O LYS A 24 -4.243 11.645 2.531 1.00 0.00 O ATOM 332 CB LYS A 24 -4.586 12.339 -0.827 1.00 0.00 C ATOM 333 CG LYS A 24 -3.742 13.299 -1.649 1.00 0.00 C ATOM 334 CD LYS A 24 -4.564 13.975 -2.734 1.00 0.00 C ATOM 335 CE LYS A 24 -5.344 15.159 -2.186 1.00 0.00 C ATOM 336 NZ LYS A 24 -6.710 14.766 -1.739 1.00 0.00 N ATOM 0 H LYS A 24 -3.301 10.285 -1.447 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.891 12.085 0.472 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.108 11.659 -1.500 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.348 12.905 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.309 14.056 -0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.912 12.758 -2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.905 14.311 -3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.255 13.254 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.800 15.596 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.421 15.929 -2.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.420 15.261 -2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.830 13.739 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.835 15.023 -0.739 1.00 0.00 H new ATOM 350 N ASP A 25 -5.744 10.578 1.238 1.00 0.00 N ATOM 351 CA ASP A 25 -6.633 10.255 2.347 1.00 0.00 C ATOM 352 C ASP A 25 -5.985 9.242 3.287 1.00 0.00 C ATOM 353 O ASP A 25 -5.267 8.336 2.863 1.00 0.00 O ATOM 354 CB ASP A 25 -7.960 9.705 1.822 1.00 0.00 C ATOM 355 CG ASP A 25 -8.782 10.760 1.108 1.00 0.00 C ATOM 356 OD1 ASP A 25 -8.478 11.056 -0.066 1.00 0.00 O ATOM 357 OD2 ASP A 25 -9.730 11.290 1.724 1.00 0.00 O ATOM 0 H ASP A 25 -6.066 10.246 0.329 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.824 11.172 2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.763 8.879 1.139 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.537 9.300 2.654 1.00 0.00 H new ATOM 362 N PRO A 26 -6.242 9.398 4.594 1.00 0.00 N ATOM 363 CA PRO A 26 -5.693 8.507 5.620 1.00 0.00 C ATOM 364 C PRO A 26 -6.307 7.112 5.566 1.00 0.00 C ATOM 365 O PRO A 26 -5.593 6.109 5.551 1.00 0.00 O ATOM 366 CB PRO A 26 -6.066 9.204 6.931 1.00 0.00 C ATOM 367 CG PRO A 26 -7.267 10.020 6.598 1.00 0.00 C ATOM 368 CD PRO A 26 -7.089 10.456 5.170 1.00 0.00 C ATOM 0 HA PRO A 26 -4.622 8.351 5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.285 8.480 7.716 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.250 9.830 7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.180 9.437 6.717 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.350 10.881 7.261 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -8.045 10.533 4.651 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -6.611 11.434 5.105 1.00 0.00 H new ATOM 376 N VAL A 27 -7.635 7.056 5.536 1.00 0.00 N ATOM 377 CA VAL A 27 -8.344 5.783 5.481 1.00 0.00 C ATOM 378 C VAL A 27 -8.015 5.025 4.200 1.00 0.00 C ATOM 379 O VAL A 27 -7.792 3.815 4.222 1.00 0.00 O ATOM 380 CB VAL A 27 -9.869 5.987 5.567 1.00 0.00 C ATOM 381 CG1 VAL A 27 -10.595 4.660 5.404 1.00 0.00 C ATOM 382 CG2 VAL A 27 -10.244 6.651 6.883 1.00 0.00 C ATOM 0 H VAL A 27 -8.241 7.876 5.549 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.013 5.199 6.340 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.177 6.645 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -11.671 4.824 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.350 4.228 4.434 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.285 3.976 6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.325 6.787 6.927 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.924 6.021 7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.753 7.621 6.954 1.00 0.00 H new ATOM 392 N GLY A 28 -7.986 5.745 3.083 1.00 0.00 N ATOM 393 CA GLY A 28 -7.683 5.124 1.807 1.00 0.00 C ATOM 394 C GLY A 28 -6.329 4.443 1.801 1.00 0.00 C ATOM 395 O GLY A 28 -6.107 3.494 1.049 1.00 0.00 O ATOM 0 H GLY A 28 -8.167 6.748 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.455 4.392 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.709 5.881 1.023 1.00 0.00 H new ATOM 399 N ARG A 29 -5.420 4.929 2.641 1.00 0.00 N ATOM 400 CA ARG A 29 -4.080 4.362 2.727 1.00 0.00 C ATOM 401 C ARG A 29 -4.118 2.965 3.341 1.00 0.00 C ATOM 402 O ARG A 29 -3.505 2.033 2.822 1.00 0.00 O ATOM 403 CB ARG A 29 -3.172 5.271 3.558 1.00 0.00 C ATOM 404 CG ARG A 29 -2.415 6.297 2.731 1.00 0.00 C ATOM 405 CD ARG A 29 -1.479 7.128 3.594 1.00 0.00 C ATOM 406 NE ARG A 29 -2.195 8.155 4.346 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.660 8.837 5.352 1.00 0.00 C ATOM 408 NH1 ARG A 29 -0.409 8.603 5.725 1.00 0.00 N ATOM 409 NH2 ARG A 29 -2.375 9.756 5.988 1.00 0.00 N ATOM 0 H ARG A 29 -5.588 5.714 3.271 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.680 4.285 1.716 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.775 5.791 4.302 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.456 4.655 4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.842 5.789 1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.124 6.953 2.226 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.949 6.475 4.287 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.727 7.600 2.962 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.159 8.360 4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.145 7.898 5.239 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.001 9.128 6.498 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.337 9.940 5.704 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.962 10.279 6.760 1.00 0.00 H new ATOM 423 N GLU A 30 -4.841 2.830 4.448 1.00 0.00 N ATOM 424 CA GLU A 30 -4.958 1.548 5.132 1.00 0.00 C ATOM 425 C GLU A 30 -5.853 0.592 4.348 1.00 0.00 C ATOM 426 O GLU A 30 -5.507 -0.571 4.143 1.00 0.00 O ATOM 427 CB GLU A 30 -5.516 1.746 6.542 1.00 0.00 C ATOM 428 CG GLU A 30 -7.034 1.741 6.602 1.00 0.00 C ATOM 429 CD GLU A 30 -7.564 2.006 7.998 1.00 0.00 C ATOM 430 OE1 GLU A 30 -6.906 1.587 8.973 1.00 0.00 O ATOM 431 OE2 GLU A 30 -8.637 2.634 8.115 1.00 0.00 O ATOM 0 H GLU A 30 -5.354 3.593 4.890 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.962 1.111 5.202 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.133 0.957 7.189 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.148 2.692 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.423 2.497 5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.404 0.777 6.254 1.00 0.00 H new ATOM 438 N GLN A 31 -7.005 1.093 3.912 1.00 0.00 N ATOM 439 CA GLN A 31 -7.950 0.284 3.152 1.00 0.00 C ATOM 440 C GLN A 31 -7.279 -0.334 1.930 1.00 0.00 C ATOM 441 O GLN A 31 -7.264 -1.554 1.767 1.00 0.00 O ATOM 442 CB GLN A 31 -9.146 1.133 2.717 1.00 0.00 C ATOM 443 CG GLN A 31 -10.166 1.358 3.822 1.00 0.00 C ATOM 444 CD GLN A 31 -10.626 0.065 4.464 1.00 0.00 C ATOM 445 OE1 GLN A 31 -11.437 -0.669 3.898 1.00 0.00 O ATOM 446 NE2 GLN A 31 -10.110 -0.223 5.653 1.00 0.00 N ATOM 0 H GLN A 31 -7.306 2.054 4.072 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.300 -0.522 3.797 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.786 2.099 2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.637 0.648 1.873 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.732 2.004 4.585 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.029 1.883 3.413 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.441 0.413 6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.383 -1.081 6.133 1.00 0.00 H new ATOM 455 N PHE A 32 -6.723 0.516 1.073 1.00 0.00 N ATOM 456 CA PHE A 32 -6.051 0.054 -0.135 1.00 0.00 C ATOM 457 C PHE A 32 -4.957 -0.955 0.203 1.00 0.00 C ATOM 458 O PHE A 32 -4.763 -1.940 -0.510 1.00 0.00 O ATOM 459 CB PHE A 32 -5.450 1.239 -0.895 1.00 0.00 C ATOM 460 CG PHE A 32 -4.482 0.833 -1.969 1.00 0.00 C ATOM 461 CD1 PHE A 32 -4.934 0.271 -3.152 1.00 0.00 C ATOM 462 CD2 PHE A 32 -3.119 1.014 -1.796 1.00 0.00 C ATOM 463 CE1 PHE A 32 -4.045 -0.104 -4.142 1.00 0.00 C ATOM 464 CE2 PHE A 32 -2.225 0.642 -2.783 1.00 0.00 C ATOM 465 CZ PHE A 32 -2.689 0.083 -3.957 1.00 0.00 C ATOM 0 H PHE A 32 -6.725 1.529 1.193 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.791 -0.437 -0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.256 1.819 -1.344 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.942 1.894 -0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.993 0.124 -3.302 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.751 1.451 -0.879 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.410 -0.543 -5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.165 0.789 -2.636 1.00 0.00 H new ATOM 0 HZ PHE A 32 -1.993 -0.208 -4.730 1.00 0.00 H new ATOM 475 N LEU A 33 -4.245 -0.702 1.295 1.00 0.00 N ATOM 476 CA LEU A 33 -3.169 -1.587 1.729 1.00 0.00 C ATOM 477 C LEU A 33 -3.700 -2.987 2.020 1.00 0.00 C ATOM 478 O LEU A 33 -3.242 -3.970 1.436 1.00 0.00 O ATOM 479 CB LEU A 33 -2.486 -1.019 2.975 1.00 0.00 C ATOM 480 CG LEU A 33 -1.771 -2.032 3.869 1.00 0.00 C ATOM 481 CD1 LEU A 33 -0.326 -2.209 3.426 1.00 0.00 C ATOM 482 CD2 LEU A 33 -1.835 -1.597 5.325 1.00 0.00 C ATOM 0 H LEU A 33 -4.393 0.108 1.896 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.440 -1.655 0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.761 -0.269 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.237 -0.503 3.573 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.278 -2.992 3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.167 -2.934 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.302 -2.567 2.397 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.194 -1.253 3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.321 -2.330 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.353 -0.626 5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.877 -1.523 5.637 1.00 0.00 H new ATOM 494 N LYS A 34 -4.670 -3.070 2.924 1.00 0.00 N ATOM 495 CA LYS A 34 -5.267 -4.349 3.290 1.00 0.00 C ATOM 496 C LYS A 34 -5.329 -5.285 2.087 1.00 0.00 C ATOM 497 O LYS A 34 -4.738 -6.364 2.097 1.00 0.00 O ATOM 498 CB LYS A 34 -6.672 -4.135 3.857 1.00 0.00 C ATOM 499 CG LYS A 34 -6.701 -3.258 5.097 1.00 0.00 C ATOM 500 CD LYS A 34 -7.860 -3.621 6.010 1.00 0.00 C ATOM 501 CE LYS A 34 -8.078 -2.564 7.081 1.00 0.00 C ATOM 502 NZ LYS A 34 -9.040 -3.019 8.123 1.00 0.00 N ATOM 0 H LYS A 34 -5.060 -2.266 3.417 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.640 -4.809 4.054 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.300 -3.684 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.109 -5.104 4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.762 -3.363 5.640 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.783 -2.212 4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.769 -3.734 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.665 -4.584 6.482 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.124 -2.320 7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.450 -1.650 6.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.161 -2.270 8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.958 -3.228 7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.674 -3.877 8.583 1.00 0.00 H new ATOM 516 N PHE A 35 -6.049 -4.864 1.052 1.00 0.00 N ATOM 517 CA PHE A 35 -6.188 -5.664 -0.159 1.00 0.00 C ATOM 518 C PHE A 35 -4.834 -6.204 -0.612 1.00 0.00 C ATOM 519 O PHE A 35 -4.713 -7.371 -0.988 1.00 0.00 O ATOM 520 CB PHE A 35 -6.818 -4.831 -1.277 1.00 0.00 C ATOM 521 CG PHE A 35 -6.845 -5.533 -2.604 1.00 0.00 C ATOM 522 CD1 PHE A 35 -5.752 -5.477 -3.455 1.00 0.00 C ATOM 523 CD2 PHE A 35 -7.962 -6.249 -3.002 1.00 0.00 C ATOM 524 CE1 PHE A 35 -5.774 -6.121 -4.677 1.00 0.00 C ATOM 525 CE2 PHE A 35 -7.990 -6.895 -4.224 1.00 0.00 C ATOM 526 CZ PHE A 35 -6.895 -6.832 -5.062 1.00 0.00 C ATOM 0 H PHE A 35 -6.545 -3.973 1.028 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.840 -6.508 0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -7.837 -4.568 -0.993 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -6.265 -3.898 -1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.873 -4.923 -3.159 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -8.821 -6.303 -2.350 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -4.916 -6.069 -5.331 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.868 -7.449 -4.523 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.914 -7.337 -6.016 1.00 0.00 H new ATOM 536 N LEU A 36 -3.820 -5.348 -0.574 1.00 0.00 N ATOM 537 CA LEU A 36 -2.474 -5.737 -0.981 1.00 0.00 C ATOM 538 C LEU A 36 -2.002 -6.960 -0.202 1.00 0.00 C ATOM 539 O LEU A 36 -1.714 -8.005 -0.784 1.00 0.00 O ATOM 540 CB LEU A 36 -1.500 -4.576 -0.770 1.00 0.00 C ATOM 541 CG LEU A 36 -1.900 -3.242 -1.401 1.00 0.00 C ATOM 542 CD1 LEU A 36 -0.893 -2.159 -1.043 1.00 0.00 C ATOM 543 CD2 LEU A 36 -2.020 -3.381 -2.912 1.00 0.00 C ATOM 0 H LEU A 36 -3.904 -4.379 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.501 -5.992 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.373 -4.425 0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.528 -4.867 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.873 -2.952 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.194 -1.217 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.855 -2.041 0.040 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.093 -2.443 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.305 -2.422 -3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.062 -3.695 -3.326 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.779 -4.126 -3.150 1.00 0.00 H new ATOM 555 N GLU A 37 -1.927 -6.821 1.118 1.00 0.00 N ATOM 556 CA GLU A 37 -1.490 -7.916 1.977 1.00 0.00 C ATOM 557 C GLU A 37 -2.003 -9.255 1.454 1.00 0.00 C ATOM 558 O GLU A 37 -1.279 -10.251 1.452 1.00 0.00 O ATOM 559 CB GLU A 37 -1.979 -7.696 3.410 1.00 0.00 C ATOM 560 CG GLU A 37 -1.512 -6.383 4.017 1.00 0.00 C ATOM 561 CD GLU A 37 -1.920 -6.235 5.470 1.00 0.00 C ATOM 562 OE1 GLU A 37 -3.086 -6.545 5.793 1.00 0.00 O ATOM 563 OE2 GLU A 37 -1.074 -5.809 6.284 1.00 0.00 O ATOM 0 H GLU A 37 -2.163 -5.962 1.615 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.400 -7.936 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.069 -7.725 3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.631 -8.519 4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.427 -6.317 3.940 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.924 -5.554 3.441 1.00 0.00 H new ATOM 570 N SER A 38 -3.256 -9.271 1.012 1.00 0.00 N ATOM 571 CA SER A 38 -3.867 -10.487 0.490 1.00 0.00 C ATOM 572 C SER A 38 -3.063 -11.040 -0.682 1.00 0.00 C ATOM 573 O SER A 38 -2.626 -12.190 -0.661 1.00 0.00 O ATOM 574 CB SER A 38 -5.307 -10.212 0.052 1.00 0.00 C ATOM 575 OG SER A 38 -6.090 -9.744 1.136 1.00 0.00 O ATOM 0 H SER A 38 -3.868 -8.455 1.005 1.00 0.00 H new ATOM 0 HA SER A 38 -3.873 -11.231 1.286 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.312 -9.473 -0.749 1.00 0.00 H new ATOM 0 HB3 SER A 38 -5.748 -11.123 -0.352 1.00 0.00 H new ATOM 0 HG SER A 38 -7.005 -9.574 0.829 1.00 0.00 H new ATOM 581 N GLU A 39 -2.873 -10.211 -1.704 1.00 0.00 N ATOM 582 CA GLU A 39 -2.122 -10.617 -2.886 1.00 0.00 C ATOM 583 C GLU A 39 -0.626 -10.666 -2.590 1.00 0.00 C ATOM 584 O GLU A 39 0.188 -10.906 -3.483 1.00 0.00 O ATOM 585 CB GLU A 39 -2.392 -9.655 -4.045 1.00 0.00 C ATOM 586 CG GLU A 39 -2.088 -8.204 -3.714 1.00 0.00 C ATOM 587 CD GLU A 39 -2.516 -7.252 -4.815 1.00 0.00 C ATOM 588 OE1 GLU A 39 -2.672 -7.710 -5.966 1.00 0.00 O ATOM 589 OE2 GLU A 39 -2.696 -6.051 -4.525 1.00 0.00 O ATOM 0 H GLU A 39 -3.228 -9.255 -1.737 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.452 -11.617 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.792 -9.956 -4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.438 -9.740 -4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.594 -7.933 -2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.018 -8.092 -3.537 1.00 0.00 H new ATOM 596 N PHE A 40 -0.270 -10.436 -1.331 1.00 0.00 N ATOM 597 CA PHE A 40 1.128 -10.452 -0.916 1.00 0.00 C ATOM 598 C PHE A 40 1.968 -9.537 -1.801 1.00 0.00 C ATOM 599 O PHE A 40 3.064 -9.902 -2.228 1.00 0.00 O ATOM 600 CB PHE A 40 1.681 -11.878 -0.968 1.00 0.00 C ATOM 601 CG PHE A 40 0.727 -12.911 -0.439 1.00 0.00 C ATOM 602 CD1 PHE A 40 0.649 -13.169 0.920 1.00 0.00 C ATOM 603 CD2 PHE A 40 -0.091 -13.623 -1.300 1.00 0.00 C ATOM 604 CE1 PHE A 40 -0.228 -14.118 1.411 1.00 0.00 C ATOM 605 CE2 PHE A 40 -0.971 -14.573 -0.816 1.00 0.00 C ATOM 606 CZ PHE A 40 -1.038 -14.822 0.541 1.00 0.00 C ATOM 0 H PHE A 40 -0.930 -10.236 -0.580 1.00 0.00 H new ATOM 0 HA PHE A 40 1.181 -10.086 0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 40 1.934 -12.123 -1.999 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.606 -11.921 -0.393 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.281 -12.622 1.604 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.041 -13.434 -2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.280 -14.309 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.605 -15.120 -1.498 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.722 -15.566 0.921 1.00 0.00 H new ATOM 616 N SER A 41 1.447 -8.345 -2.073 1.00 0.00 N ATOM 617 CA SER A 41 2.146 -7.377 -2.910 1.00 0.00 C ATOM 618 C SER A 41 2.485 -6.118 -2.119 1.00 0.00 C ATOM 619 O SER A 41 3.417 -5.389 -2.459 1.00 0.00 O ATOM 620 CB SER A 41 1.293 -7.014 -4.128 1.00 0.00 C ATOM 621 OG SER A 41 1.084 -8.143 -4.959 1.00 0.00 O ATOM 0 H SER A 41 0.543 -8.026 -1.726 1.00 0.00 H new ATOM 0 HA SER A 41 3.076 -7.833 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.332 -6.618 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.784 -6.225 -4.698 1.00 0.00 H new ATOM 0 HG SER A 41 0.775 -8.897 -4.415 1.00 0.00 H new ATOM 627 N SER A 42 1.720 -5.868 -1.061 1.00 0.00 N ATOM 628 CA SER A 42 1.936 -4.695 -0.222 1.00 0.00 C ATOM 629 C SER A 42 3.425 -4.461 0.014 1.00 0.00 C ATOM 630 O SER A 42 3.870 -3.323 0.154 1.00 0.00 O ATOM 631 CB SER A 42 1.216 -4.861 1.118 1.00 0.00 C ATOM 632 OG SER A 42 1.971 -5.667 2.006 1.00 0.00 O ATOM 0 H SER A 42 0.945 -6.462 -0.765 1.00 0.00 H new ATOM 0 HA SER A 42 1.528 -3.828 -0.741 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.045 -3.882 1.566 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.237 -5.312 0.955 1.00 0.00 H new ATOM 0 HG SER A 42 1.490 -5.756 2.855 1.00 0.00 H new ATOM 638 N GLU A 43 4.189 -5.549 0.056 1.00 0.00 N ATOM 639 CA GLU A 43 5.628 -5.463 0.275 1.00 0.00 C ATOM 640 C GLU A 43 6.198 -4.193 -0.350 1.00 0.00 C ATOM 641 O GLU A 43 7.091 -3.559 0.211 1.00 0.00 O ATOM 642 CB GLU A 43 6.329 -6.691 -0.309 1.00 0.00 C ATOM 643 CG GLU A 43 6.230 -6.787 -1.822 1.00 0.00 C ATOM 644 CD GLU A 43 6.219 -8.220 -2.316 1.00 0.00 C ATOM 645 OE1 GLU A 43 6.990 -9.040 -1.775 1.00 0.00 O ATOM 646 OE2 GLU A 43 5.439 -8.523 -3.244 1.00 0.00 O ATOM 0 H GLU A 43 3.835 -6.499 -0.059 1.00 0.00 H new ATOM 0 HA GLU A 43 5.805 -5.429 1.350 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.381 -6.669 -0.023 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.898 -7.589 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.322 -6.285 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.070 -6.258 -2.272 1.00 0.00 H new ATOM 653 N ASN A 44 5.676 -3.828 -1.517 1.00 0.00 N ATOM 654 CA ASN A 44 6.133 -2.635 -2.219 1.00 0.00 C ATOM 655 C ASN A 44 5.646 -1.370 -1.518 1.00 0.00 C ATOM 656 O ASN A 44 6.445 -0.529 -1.106 1.00 0.00 O ATOM 657 CB ASN A 44 5.641 -2.650 -3.668 1.00 0.00 C ATOM 658 CG ASN A 44 4.321 -3.381 -3.822 1.00 0.00 C ATOM 659 OD1 ASN A 44 3.365 -3.121 -3.090 1.00 0.00 O ATOM 660 ND2 ASN A 44 4.262 -4.301 -4.778 1.00 0.00 N ATOM 0 H ASN A 44 4.936 -4.342 -1.996 1.00 0.00 H new ATOM 0 HA ASN A 44 7.223 -2.636 -2.212 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.529 -1.625 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.392 -3.125 -4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 44 3.400 -4.825 -4.929 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.079 -4.484 -5.361 1.00 0.00 H new ATOM 667 N LEU A 45 4.330 -1.243 -1.386 1.00 0.00 N ATOM 668 CA LEU A 45 3.735 -0.082 -0.734 1.00 0.00 C ATOM 669 C LEU A 45 4.403 0.189 0.610 1.00 0.00 C ATOM 670 O LEU A 45 4.749 1.328 0.924 1.00 0.00 O ATOM 671 CB LEU A 45 2.234 -0.296 -0.537 1.00 0.00 C ATOM 672 CG LEU A 45 1.504 0.774 0.275 1.00 0.00 C ATOM 673 CD1 LEU A 45 1.587 2.123 -0.423 1.00 0.00 C ATOM 674 CD2 LEU A 45 0.052 0.376 0.498 1.00 0.00 C ATOM 0 H LEU A 45 3.655 -1.930 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 45 3.890 0.784 -1.377 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.765 -0.362 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.086 -1.259 -0.048 1.00 0.00 H new ATOM 0 HG LEU A 45 1.990 0.860 1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.062 2.872 0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.632 2.413 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.127 2.052 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.452 1.149 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.446 0.262 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.013 -0.568 1.041 1.00 0.00 H new ATOM 686 N ARG A 46 4.582 -0.865 1.399 1.00 0.00 N ATOM 687 CA ARG A 46 5.209 -0.741 2.710 1.00 0.00 C ATOM 688 C ARG A 46 6.474 0.108 2.629 1.00 0.00 C ATOM 689 O ARG A 46 6.583 1.143 3.288 1.00 0.00 O ATOM 690 CB ARG A 46 5.546 -2.124 3.270 1.00 0.00 C ATOM 691 CG ARG A 46 4.323 -2.983 3.547 1.00 0.00 C ATOM 692 CD ARG A 46 3.839 -2.820 4.980 1.00 0.00 C ATOM 693 NE ARG A 46 2.475 -3.310 5.156 1.00 0.00 N ATOM 694 CZ ARG A 46 1.956 -3.628 6.337 1.00 0.00 C ATOM 695 NH1 ARG A 46 2.683 -3.507 7.439 1.00 0.00 N ATOM 696 NH2 ARG A 46 0.706 -4.068 6.417 1.00 0.00 N ATOM 0 H ARG A 46 4.302 -1.815 1.154 1.00 0.00 H new ATOM 0 HA ARG A 46 4.503 -0.248 3.378 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.193 -2.645 2.564 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.113 -2.005 4.194 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.523 -2.711 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.563 -4.030 3.360 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.507 -3.359 5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.885 -1.768 5.261 1.00 0.00 H new ATOM 0 HE ARG A 46 1.889 -3.414 4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.644 -3.169 7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.282 -3.752 8.344 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.143 -4.162 5.571 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.308 -4.312 7.324 1.00 0.00 H new ATOM 710 N PHE A 47 7.428 -0.335 1.817 1.00 0.00 N ATOM 711 CA PHE A 47 8.686 0.383 1.651 1.00 0.00 C ATOM 712 C PHE A 47 8.439 1.805 1.157 1.00 0.00 C ATOM 713 O PHE A 47 9.034 2.760 1.657 1.00 0.00 O ATOM 714 CB PHE A 47 9.596 -0.359 0.671 1.00 0.00 C ATOM 715 CG PHE A 47 10.537 0.544 -0.075 1.00 0.00 C ATOM 716 CD1 PHE A 47 11.646 1.083 0.556 1.00 0.00 C ATOM 717 CD2 PHE A 47 10.312 0.853 -1.407 1.00 0.00 C ATOM 718 CE1 PHE A 47 12.513 1.914 -0.128 1.00 0.00 C ATOM 719 CE2 PHE A 47 11.175 1.684 -2.096 1.00 0.00 C ATOM 720 CZ PHE A 47 12.278 2.214 -1.456 1.00 0.00 C ATOM 0 H PHE A 47 7.354 -1.188 1.263 1.00 0.00 H new ATOM 0 HA PHE A 47 9.177 0.435 2.623 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.176 -1.103 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.979 -0.900 -0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.835 0.851 1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.452 0.439 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.374 2.329 0.375 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.987 1.919 -3.133 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.956 2.862 -1.993 1.00 0.00 H new ATOM 730 N TRP A 48 7.559 1.938 0.171 1.00 0.00 N ATOM 731 CA TRP A 48 7.233 3.243 -0.392 1.00 0.00 C ATOM 732 C TRP A 48 6.898 4.243 0.709 1.00 0.00 C ATOM 733 O TRP A 48 7.425 5.356 0.732 1.00 0.00 O ATOM 734 CB TRP A 48 6.058 3.123 -1.364 1.00 0.00 C ATOM 735 CG TRP A 48 5.842 4.355 -2.189 1.00 0.00 C ATOM 736 CD1 TRP A 48 6.423 4.650 -3.389 1.00 0.00 C ATOM 737 CD2 TRP A 48 4.985 5.458 -1.874 1.00 0.00 C ATOM 738 NE1 TRP A 48 5.979 5.870 -3.839 1.00 0.00 N ATOM 739 CE2 TRP A 48 5.096 6.386 -2.929 1.00 0.00 C ATOM 740 CE3 TRP A 48 4.133 5.751 -0.806 1.00 0.00 C ATOM 741 CZ2 TRP A 48 4.388 7.585 -2.942 1.00 0.00 C ATOM 742 CZ3 TRP A 48 3.432 6.942 -0.821 1.00 0.00 C ATOM 743 CH2 TRP A 48 3.561 7.846 -1.883 1.00 0.00 C ATOM 0 H TRP A 48 7.059 1.158 -0.255 1.00 0.00 H new ATOM 0 HA TRP A 48 8.107 3.606 -0.933 1.00 0.00 H new ATOM 0 HB2 TRP A 48 6.230 2.275 -2.028 1.00 0.00 H new ATOM 0 HB3 TRP A 48 5.150 2.908 -0.801 1.00 0.00 H new ATOM 0 HD1 TRP A 48 7.128 4.017 -3.908 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.262 6.319 -4.710 1.00 0.00 H new ATOM 0 HE3 TRP A 48 4.024 5.059 0.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 4.488 8.284 -3.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.773 7.180 0.001 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.997 8.767 -1.866 1.00 0.00 H new ATOM 754 N LEU A 49 6.019 3.840 1.620 1.00 0.00 N ATOM 755 CA LEU A 49 5.613 4.702 2.725 1.00 0.00 C ATOM 756 C LEU A 49 6.768 4.920 3.697 1.00 0.00 C ATOM 757 O LEU A 49 7.022 6.043 4.134 1.00 0.00 O ATOM 758 CB LEU A 49 4.420 4.092 3.462 1.00 0.00 C ATOM 759 CG LEU A 49 3.172 3.831 2.618 1.00 0.00 C ATOM 760 CD1 LEU A 49 2.215 2.904 3.353 1.00 0.00 C ATOM 761 CD2 LEU A 49 2.483 5.141 2.264 1.00 0.00 C ATOM 0 H LEU A 49 5.574 2.922 1.615 1.00 0.00 H new ATOM 0 HA LEU A 49 5.322 5.668 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.737 3.149 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.147 4.756 4.282 1.00 0.00 H new ATOM 0 HG LEU A 49 3.478 3.344 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.333 2.729 2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.711 1.954 3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.915 3.363 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.597 4.935 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.190 5.657 3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.168 5.771 1.696 1.00 0.00 H new ATOM 773 N ALA A 50 7.467 3.840 4.030 1.00 0.00 N ATOM 774 CA ALA A 50 8.598 3.914 4.947 1.00 0.00 C ATOM 775 C ALA A 50 9.515 5.081 4.595 1.00 0.00 C ATOM 776 O ALA A 50 9.995 5.794 5.476 1.00 0.00 O ATOM 777 CB ALA A 50 9.376 2.606 4.932 1.00 0.00 C ATOM 0 H ALA A 50 7.270 2.903 3.678 1.00 0.00 H new ATOM 0 HA ALA A 50 8.209 4.082 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.218 2.675 5.621 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.722 1.790 5.239 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.747 2.415 3.925 1.00 0.00 H new ATOM 783 N VAL A 51 9.755 5.269 3.301 1.00 0.00 N ATOM 784 CA VAL A 51 10.614 6.349 2.832 1.00 0.00 C ATOM 785 C VAL A 51 10.084 7.707 3.281 1.00 0.00 C ATOM 786 O VAL A 51 10.761 8.441 3.999 1.00 0.00 O ATOM 787 CB VAL A 51 10.740 6.341 1.297 1.00 0.00 C ATOM 788 CG1 VAL A 51 11.643 7.472 0.829 1.00 0.00 C ATOM 789 CG2 VAL A 51 11.260 4.996 0.813 1.00 0.00 C ATOM 0 H VAL A 51 9.366 4.687 2.559 1.00 0.00 H new ATOM 0 HA VAL A 51 11.598 6.183 3.270 1.00 0.00 H new ATOM 0 HB VAL A 51 9.751 6.498 0.867 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.720 7.450 -0.258 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.223 8.427 1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.634 7.350 1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.343 5.008 -0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.241 4.806 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.570 4.209 1.116 1.00 0.00 H new ATOM 799 N GLU A 52 8.869 8.033 2.852 1.00 0.00 N ATOM 800 CA GLU A 52 8.249 9.303 3.209 1.00 0.00 C ATOM 801 C GLU A 52 8.598 9.695 4.642 1.00 0.00 C ATOM 802 O GLU A 52 9.053 10.809 4.899 1.00 0.00 O ATOM 803 CB GLU A 52 6.730 9.217 3.048 1.00 0.00 C ATOM 804 CG GLU A 52 6.274 9.156 1.600 1.00 0.00 C ATOM 805 CD GLU A 52 6.311 10.511 0.919 1.00 0.00 C ATOM 806 OE1 GLU A 52 6.201 11.534 1.626 1.00 0.00 O ATOM 807 OE2 GLU A 52 6.451 10.546 -0.321 1.00 0.00 O ATOM 0 H GLU A 52 8.295 7.435 2.257 1.00 0.00 H new ATOM 0 HA GLU A 52 8.636 10.069 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.367 8.333 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.273 10.082 3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.910 8.461 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.259 8.760 1.559 1.00 0.00 H new ATOM 814 N ASP A 53 8.381 8.770 5.571 1.00 0.00 N ATOM 815 CA ASP A 53 8.673 9.017 6.979 1.00 0.00 C ATOM 816 C ASP A 53 10.163 9.265 7.189 1.00 0.00 C ATOM 817 O ASP A 53 10.558 10.263 7.792 1.00 0.00 O ATOM 818 CB ASP A 53 8.214 7.834 7.832 1.00 0.00 C ATOM 819 CG ASP A 53 8.988 7.721 9.130 1.00 0.00 C ATOM 820 OD1 ASP A 53 10.081 7.116 9.120 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.503 8.240 10.157 1.00 0.00 O ATOM 0 H ASP A 53 8.004 7.843 5.375 1.00 0.00 H new ATOM 0 HA ASP A 53 8.128 9.909 7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.152 7.940 8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.330 6.912 7.262 1.00 0.00 H new ATOM 826 N LEU A 54 10.986 8.349 6.690 1.00 0.00 N ATOM 827 CA LEU A 54 12.434 8.466 6.825 1.00 0.00 C ATOM 828 C LEU A 54 12.866 9.929 6.801 1.00 0.00 C ATOM 829 O LEU A 54 13.621 10.379 7.663 1.00 0.00 O ATOM 830 CB LEU A 54 13.134 7.698 5.702 1.00 0.00 C ATOM 831 CG LEU A 54 14.661 7.780 5.684 1.00 0.00 C ATOM 832 CD1 LEU A 54 15.245 7.119 6.923 1.00 0.00 C ATOM 833 CD2 LEU A 54 15.214 7.134 4.422 1.00 0.00 C ATOM 0 H LEU A 54 10.675 7.517 6.188 1.00 0.00 H new ATOM 0 HA LEU A 54 12.721 8.037 7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 54 12.847 6.649 5.773 1.00 0.00 H new ATOM 0 HB3 LEU A 54 12.759 8.067 4.748 1.00 0.00 H new ATOM 0 HG LEU A 54 14.950 8.831 5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.332 7.187 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.874 7.625 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 54 14.947 6.071 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.302 7.201 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.915 6.086 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.821 7.651 3.546 1.00 0.00 H new ATOM 845 N LYS A 55 12.379 10.669 5.811 1.00 0.00 N ATOM 846 CA LYS A 55 12.711 12.082 5.676 1.00 0.00 C ATOM 847 C LYS A 55 12.278 12.863 6.913 1.00 0.00 C ATOM 848 O LYS A 55 13.049 13.649 7.464 1.00 0.00 O ATOM 849 CB LYS A 55 12.041 12.668 4.430 1.00 0.00 C ATOM 850 CG LYS A 55 12.653 12.185 3.127 1.00 0.00 C ATOM 851 CD LYS A 55 11.875 11.018 2.544 1.00 0.00 C ATOM 852 CE LYS A 55 10.695 11.495 1.711 1.00 0.00 C ATOM 853 NZ LYS A 55 9.793 12.389 2.489 1.00 0.00 N ATOM 0 H LYS A 55 11.752 10.313 5.089 1.00 0.00 H new ATOM 0 HA LYS A 55 13.793 12.167 5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.982 12.410 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.105 13.755 4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.674 13.004 2.408 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.687 11.885 3.299 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.536 10.411 1.926 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.517 10.379 3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.062 12.025 0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.132 10.634 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.942 12.597 1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.517 11.919 3.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.289 13.277 2.708 1.00 0.00 H new ATOM 867 N LYS A 56 11.042 12.640 7.345 1.00 0.00 N ATOM 868 CA LYS A 56 10.507 13.320 8.519 1.00 0.00 C ATOM 869 C LYS A 56 11.271 12.917 9.776 1.00 0.00 C ATOM 870 O LYS A 56 11.478 13.732 10.676 1.00 0.00 O ATOM 871 CB LYS A 56 9.020 12.999 8.687 1.00 0.00 C ATOM 872 CG LYS A 56 8.169 13.422 7.502 1.00 0.00 C ATOM 873 CD LYS A 56 7.753 14.879 7.606 1.00 0.00 C ATOM 874 CE LYS A 56 6.491 15.041 8.439 1.00 0.00 C ATOM 875 NZ LYS A 56 5.966 16.433 8.388 1.00 0.00 N ATOM 0 H LYS A 56 10.391 11.993 6.900 1.00 0.00 H new ATOM 0 HA LYS A 56 10.626 14.393 8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.904 11.926 8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.649 13.493 9.585 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.727 13.267 6.579 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.281 12.792 7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.561 15.458 8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.585 15.283 6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.727 14.352 8.079 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.702 14.770 9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.106 16.501 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.685 17.089 8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.740 16.683 7.404 1.00 0.00 H new ATOM 889 N ARG A 57 11.687 11.656 9.831 1.00 0.00 N ATOM 890 CA ARG A 57 12.428 11.146 10.978 1.00 0.00 C ATOM 891 C ARG A 57 13.626 12.037 11.293 1.00 0.00 C ATOM 892 O ARG A 57 14.236 12.635 10.406 1.00 0.00 O ATOM 893 CB ARG A 57 12.900 9.715 10.712 1.00 0.00 C ATOM 894 CG ARG A 57 11.788 8.682 10.797 1.00 0.00 C ATOM 895 CD ARG A 57 11.249 8.559 12.213 1.00 0.00 C ATOM 896 NE ARG A 57 10.147 9.485 12.461 1.00 0.00 N ATOM 897 CZ ARG A 57 9.261 9.329 13.439 1.00 0.00 C ATOM 898 NH1 ARG A 57 9.348 8.289 14.257 1.00 0.00 N ATOM 899 NH2 ARG A 57 8.286 10.214 13.600 1.00 0.00 N ATOM 0 H ARG A 57 11.523 10.969 9.095 1.00 0.00 H new ATOM 0 HA ARG A 57 11.760 11.148 11.839 1.00 0.00 H new ATOM 0 HB2 ARG A 57 13.353 9.669 9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 57 13.679 9.459 11.430 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.979 8.960 10.122 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.163 7.714 10.464 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.910 7.537 12.384 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.052 8.752 12.925 1.00 0.00 H new ATOM 0 HE ARG A 57 10.052 10.296 11.850 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.096 7.606 14.136 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.667 8.172 15.007 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.216 11.015 12.973 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.606 10.093 14.351 1.00 0.00 H new ATOM 913 N PRO A 58 13.971 12.131 12.585 1.00 0.00 N ATOM 914 CA PRO A 58 15.098 12.947 13.047 1.00 0.00 C ATOM 915 C PRO A 58 16.444 12.367 12.628 1.00 0.00 C ATOM 916 O PRO A 58 16.552 11.176 12.332 1.00 0.00 O ATOM 917 CB PRO A 58 14.955 12.920 14.570 1.00 0.00 C ATOM 918 CG PRO A 58 14.217 11.658 14.859 1.00 0.00 C ATOM 919 CD PRO A 58 13.289 11.446 13.696 1.00 0.00 C ATOM 0 HA PRO A 58 15.076 13.950 12.621 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.929 12.930 15.059 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.408 13.790 14.932 1.00 0.00 H new ATOM 0 HG2 PRO A 58 14.905 10.820 14.967 1.00 0.00 H new ATOM 0 HG3 PRO A 58 13.661 11.736 15.793 1.00 0.00 H new ATOM 0 HD2 PRO A 58 13.144 10.386 13.486 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.303 11.871 13.886 1.00 0.00 H new ATOM 927 N ILE A 59 17.467 13.214 12.604 1.00 0.00 N ATOM 928 CA ILE A 59 18.806 12.784 12.223 1.00 0.00 C ATOM 929 C ILE A 59 19.246 11.570 13.034 1.00 0.00 C ATOM 930 O ILE A 59 19.955 10.697 12.533 1.00 0.00 O ATOM 931 CB ILE A 59 19.836 13.914 12.411 1.00 0.00 C ATOM 932 CG1 ILE A 59 21.210 13.471 11.906 1.00 0.00 C ATOM 933 CG2 ILE A 59 19.911 14.324 13.875 1.00 0.00 C ATOM 934 CD1 ILE A 59 21.343 13.515 10.399 1.00 0.00 C ATOM 0 H ILE A 59 17.394 14.203 12.844 1.00 0.00 H new ATOM 0 HA ILE A 59 18.762 12.516 11.167 1.00 0.00 H new ATOM 0 HB ILE A 59 19.516 14.777 11.827 1.00 0.00 H new ATOM 0 HG12 ILE A 59 21.974 14.110 12.349 1.00 0.00 H new ATOM 0 HG13 ILE A 59 21.405 12.455 12.250 1.00 0.00 H new ATOM 0 HG21 ILE A 59 20.643 15.123 13.992 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.934 14.676 14.205 1.00 0.00 H new ATOM 0 HG23 ILE A 59 20.210 13.467 14.478 1.00 0.00 H new ATOM 0 HD11 ILE A 59 22.342 13.188 10.112 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.602 12.854 9.949 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.180 14.534 10.049 1.00 0.00 H new ATOM 946 N LYS A 60 18.819 11.521 14.292 1.00 0.00 N ATOM 947 CA LYS A 60 19.165 10.413 15.174 1.00 0.00 C ATOM 948 C LYS A 60 18.570 9.104 14.664 1.00 0.00 C ATOM 949 O LYS A 60 19.138 8.032 14.870 1.00 0.00 O ATOM 950 CB LYS A 60 18.670 10.691 16.595 1.00 0.00 C ATOM 951 CG LYS A 60 17.165 10.558 16.751 1.00 0.00 C ATOM 952 CD LYS A 60 16.741 10.698 18.204 1.00 0.00 C ATOM 953 CE LYS A 60 16.452 12.147 18.563 1.00 0.00 C ATOM 954 NZ LYS A 60 15.044 12.524 18.257 1.00 0.00 N ATOM 0 H LYS A 60 18.233 12.236 14.723 1.00 0.00 H new ATOM 0 HA LYS A 60 20.251 10.317 15.186 1.00 0.00 H new ATOM 0 HB2 LYS A 60 19.161 10.002 17.283 1.00 0.00 H new ATOM 0 HB3 LYS A 60 18.969 11.698 16.885 1.00 0.00 H new ATOM 0 HG2 LYS A 60 16.667 11.320 16.151 1.00 0.00 H new ATOM 0 HG3 LYS A 60 16.843 9.590 16.369 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.852 10.093 18.385 1.00 0.00 H new ATOM 0 HD3 LYS A 60 17.527 10.311 18.852 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.648 12.304 19.624 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.130 12.800 18.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 15.035 13.369 17.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.574 11.739 17.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.539 12.728 19.143 1.00 0.00 H new ATOM 968 N GLU A 61 17.424 9.201 13.998 1.00 0.00 N ATOM 969 CA GLU A 61 16.753 8.024 13.458 1.00 0.00 C ATOM 970 C GLU A 61 16.791 8.028 11.933 1.00 0.00 C ATOM 971 O GLU A 61 16.081 7.262 11.281 1.00 0.00 O ATOM 972 CB GLU A 61 15.302 7.970 13.942 1.00 0.00 C ATOM 973 CG GLU A 61 15.130 7.250 15.269 1.00 0.00 C ATOM 974 CD GLU A 61 15.478 5.776 15.183 1.00 0.00 C ATOM 975 OE1 GLU A 61 14.644 4.999 14.673 1.00 0.00 O ATOM 976 OE2 GLU A 61 16.584 5.401 15.625 1.00 0.00 O ATOM 0 H GLU A 61 16.941 10.081 13.819 1.00 0.00 H new ATOM 0 HA GLU A 61 17.281 7.140 13.815 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.922 8.987 14.038 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.694 7.472 13.187 1.00 0.00 H new ATOM 0 HG2 GLU A 61 15.761 7.725 16.020 1.00 0.00 H new ATOM 0 HG3 GLU A 61 14.099 7.357 15.605 1.00 0.00 H new ATOM 983 N VAL A 62 17.626 8.896 11.370 1.00 0.00 N ATOM 984 CA VAL A 62 17.758 8.999 9.921 1.00 0.00 C ATOM 985 C VAL A 62 18.510 7.802 9.351 1.00 0.00 C ATOM 986 O VAL A 62 18.003 7.064 8.506 1.00 0.00 O ATOM 987 CB VAL A 62 18.491 10.292 9.516 1.00 0.00 C ATOM 988 CG1 VAL A 62 19.296 10.073 8.244 1.00 0.00 C ATOM 989 CG2 VAL A 62 17.500 11.433 9.340 1.00 0.00 C ATOM 0 H VAL A 62 18.221 9.537 11.895 1.00 0.00 H new ATOM 0 HA VAL A 62 16.748 9.018 9.511 1.00 0.00 H new ATOM 0 HB VAL A 62 19.183 10.562 10.314 1.00 0.00 H new ATOM 0 HG11 VAL A 62 19.807 10.997 7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 62 20.032 9.287 8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 62 18.626 9.778 7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 62 18.035 12.339 9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 62 16.782 11.175 8.562 1.00 0.00 H new ATOM 0 HG23 VAL A 62 16.972 11.604 10.278 1.00 0.00 H new ATOM 999 N PRO A 63 19.749 7.602 9.824 1.00 0.00 N ATOM 1000 CA PRO A 63 20.598 6.494 9.376 1.00 0.00 C ATOM 1001 C PRO A 63 20.089 5.141 9.861 1.00 0.00 C ATOM 1002 O PRO A 63 19.907 4.215 9.070 1.00 0.00 O ATOM 1003 CB PRO A 63 21.957 6.811 10.005 1.00 0.00 C ATOM 1004 CG PRO A 63 21.637 7.642 11.199 1.00 0.00 C ATOM 1005 CD PRO A 63 20.417 8.442 10.832 1.00 0.00 C ATOM 0 HA PRO A 63 20.624 6.415 8.289 1.00 0.00 H new ATOM 0 HB2 PRO A 63 22.485 5.900 10.287 1.00 0.00 H new ATOM 0 HB3 PRO A 63 22.600 7.350 9.309 1.00 0.00 H new ATOM 0 HG2 PRO A 63 21.445 7.016 12.070 1.00 0.00 H new ATOM 0 HG3 PRO A 63 22.471 8.296 11.454 1.00 0.00 H new ATOM 0 HD2 PRO A 63 19.777 8.618 11.696 1.00 0.00 H new ATOM 0 HD3 PRO A 63 20.683 9.419 10.428 1.00 0.00 H new ATOM 1013 N SER A 64 19.860 5.033 11.166 1.00 0.00 N ATOM 1014 CA SER A 64 19.375 3.791 11.757 1.00 0.00 C ATOM 1015 C SER A 64 18.270 3.178 10.902 1.00 0.00 C ATOM 1016 O SER A 64 18.153 1.957 10.803 1.00 0.00 O ATOM 1017 CB SER A 64 18.858 4.044 13.174 1.00 0.00 C ATOM 1018 OG SER A 64 19.875 4.586 13.999 1.00 0.00 O ATOM 0 H SER A 64 20.003 5.790 11.834 1.00 0.00 H new ATOM 0 HA SER A 64 20.208 3.089 11.802 1.00 0.00 H new ATOM 0 HB2 SER A 64 18.011 4.729 13.138 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.495 3.110 13.604 1.00 0.00 H new ATOM 0 HG SER A 64 19.519 4.740 14.899 1.00 0.00 H new ATOM 1024 N ARG A 65 17.462 4.035 10.286 1.00 0.00 N ATOM 1025 CA ARG A 65 16.366 3.580 9.441 1.00 0.00 C ATOM 1026 C ARG A 65 16.875 3.176 8.060 1.00 0.00 C ATOM 1027 O ARG A 65 16.515 2.121 7.538 1.00 0.00 O ATOM 1028 CB ARG A 65 15.308 4.676 9.305 1.00 0.00 C ATOM 1029 CG ARG A 65 13.930 4.151 8.938 1.00 0.00 C ATOM 1030 CD ARG A 65 13.167 3.682 10.167 1.00 0.00 C ATOM 1031 NE ARG A 65 11.721 3.753 9.974 1.00 0.00 N ATOM 1032 CZ ARG A 65 10.847 3.072 10.707 1.00 0.00 C ATOM 1033 NH1 ARG A 65 11.271 2.273 11.676 1.00 0.00 N ATOM 1034 NH2 ARG A 65 9.547 3.190 10.470 1.00 0.00 N ATOM 0 H ARG A 65 17.547 5.049 10.357 1.00 0.00 H new ATOM 0 HA ARG A 65 15.916 2.707 9.914 1.00 0.00 H new ATOM 0 HB2 ARG A 65 15.240 5.223 10.246 1.00 0.00 H new ATOM 0 HB3 ARG A 65 15.630 5.388 8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 65 13.364 4.934 8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.030 3.325 8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 65 13.452 2.656 10.401 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.449 4.294 11.024 1.00 0.00 H new ATOM 0 HE ARG A 65 11.362 4.359 9.236 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.270 2.180 11.860 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.598 1.751 12.238 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.218 3.804 9.725 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.876 2.667 11.033 1.00 0.00 H new ATOM 1048 N VAL A 66 17.715 4.024 7.474 1.00 0.00 N ATOM 1049 CA VAL A 66 18.275 3.756 6.155 1.00 0.00 C ATOM 1050 C VAL A 66 18.499 2.262 5.946 1.00 0.00 C ATOM 1051 O VAL A 66 17.877 1.647 5.080 1.00 0.00 O ATOM 1052 CB VAL A 66 19.609 4.497 5.950 1.00 0.00 C ATOM 1053 CG1 VAL A 66 20.350 3.940 4.744 1.00 0.00 C ATOM 1054 CG2 VAL A 66 19.369 5.992 5.795 1.00 0.00 C ATOM 0 H VAL A 66 18.022 4.902 7.892 1.00 0.00 H new ATOM 0 HA VAL A 66 17.551 4.118 5.425 1.00 0.00 H new ATOM 0 HB VAL A 66 20.231 4.341 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 66 21.290 4.476 4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 66 20.555 2.881 4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.737 4.063 3.851 1.00 0.00 H new ATOM 0 HG21 VAL A 66 20.322 6.501 5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 66 18.729 6.170 4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 66 18.884 6.378 6.692 1.00 0.00 H new ATOM 1064 N GLN A 67 19.390 1.686 6.745 1.00 0.00 N ATOM 1065 CA GLN A 67 19.696 0.263 6.647 1.00 0.00 C ATOM 1066 C GLN A 67 18.460 -0.581 6.937 1.00 0.00 C ATOM 1067 O GLN A 67 18.145 -1.511 6.196 1.00 0.00 O ATOM 1068 CB GLN A 67 20.819 -0.106 7.618 1.00 0.00 C ATOM 1069 CG GLN A 67 20.393 -0.088 9.077 1.00 0.00 C ATOM 1070 CD GLN A 67 21.520 -0.463 10.019 1.00 0.00 C ATOM 1071 OE1 GLN A 67 22.621 -0.804 9.584 1.00 0.00 O ATOM 1072 NE2 GLN A 67 21.252 -0.400 11.318 1.00 0.00 N ATOM 0 H GLN A 67 19.913 2.182 7.467 1.00 0.00 H new ATOM 0 HA GLN A 67 20.023 0.057 5.628 1.00 0.00 H new ATOM 0 HB2 GLN A 67 21.191 -1.100 7.369 1.00 0.00 H new ATOM 0 HB3 GLN A 67 21.648 0.588 7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 67 20.027 0.906 9.332 1.00 0.00 H new ATOM 0 HG3 GLN A 67 19.562 -0.779 9.217 1.00 0.00 H new ATOM 0 HE21 GLN A 67 20.326 -0.112 11.634 1.00 0.00 H new ATOM 0 HE22 GLN A 67 21.972 -0.639 12.000 1.00 0.00 H new ATOM 1081 N GLU A 68 17.763 -0.249 8.020 1.00 0.00 N ATOM 1082 CA GLU A 68 16.561 -0.979 8.407 1.00 0.00 C ATOM 1083 C GLU A 68 15.663 -1.228 7.199 1.00 0.00 C ATOM 1084 O GLU A 68 15.427 -2.373 6.814 1.00 0.00 O ATOM 1085 CB GLU A 68 15.791 -0.204 9.478 1.00 0.00 C ATOM 1086 CG GLU A 68 16.355 -0.376 10.878 1.00 0.00 C ATOM 1087 CD GLU A 68 16.018 -1.726 11.481 1.00 0.00 C ATOM 1088 OE1 GLU A 68 14.824 -2.093 11.482 1.00 0.00 O ATOM 1089 OE2 GLU A 68 16.948 -2.415 11.951 1.00 0.00 O ATOM 0 H GLU A 68 18.010 0.519 8.644 1.00 0.00 H new ATOM 0 HA GLU A 68 16.867 -1.943 8.815 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.795 0.855 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.751 -0.529 9.472 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.438 -0.256 10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.966 0.413 11.522 1.00 0.00 H new ATOM 1096 N ILE A 69 15.165 -0.148 6.606 1.00 0.00 N ATOM 1097 CA ILE A 69 14.294 -0.249 5.442 1.00 0.00 C ATOM 1098 C ILE A 69 14.891 -1.172 4.386 1.00 0.00 C ATOM 1099 O ILE A 69 14.182 -1.967 3.769 1.00 0.00 O ATOM 1100 CB ILE A 69 14.034 1.132 4.812 1.00 0.00 C ATOM 1101 CG1 ILE A 69 13.344 2.055 5.819 1.00 0.00 C ATOM 1102 CG2 ILE A 69 13.191 0.990 3.553 1.00 0.00 C ATOM 1103 CD1 ILE A 69 13.601 3.524 5.567 1.00 0.00 C ATOM 0 H ILE A 69 15.350 0.807 6.913 1.00 0.00 H new ATOM 0 HA ILE A 69 13.349 -0.664 5.791 1.00 0.00 H new ATOM 0 HB ILE A 69 14.991 1.575 4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.270 1.872 5.790 1.00 0.00 H new ATOM 0 HG13 ILE A 69 13.684 1.802 6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.016 1.975 3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.717 0.364 2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.236 0.529 3.805 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.081 4.118 6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.671 3.721 5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.236 3.792 4.576 1.00 0.00 H new ATOM 1115 N TRP A 70 16.200 -1.063 4.186 1.00 0.00 N ATOM 1116 CA TRP A 70 16.894 -1.891 3.205 1.00 0.00 C ATOM 1117 C TRP A 70 17.097 -3.306 3.734 1.00 0.00 C ATOM 1118 O TRP A 70 17.380 -4.228 2.970 1.00 0.00 O ATOM 1119 CB TRP A 70 18.244 -1.268 2.847 1.00 0.00 C ATOM 1120 CG TRP A 70 19.329 -2.281 2.641 1.00 0.00 C ATOM 1121 CD1 TRP A 70 19.973 -3.001 3.607 1.00 0.00 C ATOM 1122 CD2 TRP A 70 19.898 -2.685 1.391 1.00 0.00 C ATOM 1123 NE1 TRP A 70 20.908 -3.828 3.032 1.00 0.00 N ATOM 1124 CE2 TRP A 70 20.881 -3.654 1.674 1.00 0.00 C ATOM 1125 CE3 TRP A 70 19.671 -2.325 0.060 1.00 0.00 C ATOM 1126 CZ2 TRP A 70 21.635 -4.263 0.674 1.00 0.00 C ATOM 1127 CZ3 TRP A 70 20.420 -2.931 -0.931 1.00 0.00 C ATOM 1128 CH2 TRP A 70 21.392 -3.891 -0.620 1.00 0.00 C ATOM 0 H TRP A 70 16.801 -0.411 4.689 1.00 0.00 H new ATOM 0 HA TRP A 70 16.277 -1.944 2.308 1.00 0.00 H new ATOM 0 HB2 TRP A 70 18.133 -0.675 1.939 1.00 0.00 H new ATOM 0 HB3 TRP A 70 18.542 -0.583 3.641 1.00 0.00 H new ATOM 0 HD1 TRP A 70 19.776 -2.931 4.667 1.00 0.00 H new ATOM 0 HE1 TRP A 70 21.523 -4.468 3.535 1.00 0.00 H new ATOM 0 HE3 TRP A 70 18.924 -1.586 -0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 22.385 -5.003 0.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 20.253 -2.660 -1.963 1.00 0.00 H new ATOM 0 HH2 TRP A 70 21.961 -4.346 -1.417 1.00 0.00 H new ATOM 1139 N GLN A 71 16.950 -3.471 5.045 1.00 0.00 N ATOM 1140 CA GLN A 71 17.118 -4.776 5.674 1.00 0.00 C ATOM 1141 C GLN A 71 15.783 -5.505 5.779 1.00 0.00 C ATOM 1142 O GLN A 71 15.721 -6.641 6.249 1.00 0.00 O ATOM 1143 CB GLN A 71 17.738 -4.619 7.063 1.00 0.00 C ATOM 1144 CG GLN A 71 19.217 -4.271 7.034 1.00 0.00 C ATOM 1145 CD GLN A 71 19.957 -4.761 8.264 1.00 0.00 C ATOM 1146 OE1 GLN A 71 19.565 -4.470 9.394 1.00 0.00 O ATOM 1147 NE2 GLN A 71 21.032 -5.510 8.049 1.00 0.00 N ATOM 0 H GLN A 71 16.715 -2.718 5.692 1.00 0.00 H new ATOM 0 HA GLN A 71 17.787 -5.369 5.050 1.00 0.00 H new ATOM 0 HB2 GLN A 71 17.201 -3.841 7.605 1.00 0.00 H new ATOM 0 HB3 GLN A 71 17.603 -5.547 7.619 1.00 0.00 H new ATOM 0 HG2 GLN A 71 19.671 -4.706 6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 71 19.330 -3.190 6.953 1.00 0.00 H new ATOM 0 HE21 GLN A 71 21.320 -5.726 7.095 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.569 -5.869 8.838 1.00 0.00 H new ATOM 1156 N GLU A 72 14.717 -4.845 5.337 1.00 0.00 N ATOM 1157 CA GLU A 72 13.383 -5.432 5.384 1.00 0.00 C ATOM 1158 C GLU A 72 12.856 -5.697 3.976 1.00 0.00 C ATOM 1159 O GLU A 72 12.154 -6.681 3.739 1.00 0.00 O ATOM 1160 CB GLU A 72 12.421 -4.509 6.134 1.00 0.00 C ATOM 1161 CG GLU A 72 10.973 -4.967 6.084 1.00 0.00 C ATOM 1162 CD GLU A 72 10.596 -5.839 7.266 1.00 0.00 C ATOM 1163 OE1 GLU A 72 11.305 -5.788 8.292 1.00 0.00 O ATOM 1164 OE2 GLU A 72 9.591 -6.573 7.163 1.00 0.00 O ATOM 0 H GLU A 72 14.751 -3.905 4.943 1.00 0.00 H new ATOM 0 HA GLU A 72 13.451 -6.382 5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 72 12.735 -4.440 7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.491 -3.506 5.713 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.320 -4.094 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.802 -5.520 5.160 1.00 0.00 H new ATOM 1171 N PHE A 73 13.199 -4.812 3.046 1.00 0.00 N ATOM 1172 CA PHE A 73 12.760 -4.949 1.662 1.00 0.00 C ATOM 1173 C PHE A 73 13.950 -5.180 0.734 1.00 0.00 C ATOM 1174 O PHE A 73 13.943 -6.098 -0.087 1.00 0.00 O ATOM 1175 CB PHE A 73 11.991 -3.701 1.223 1.00 0.00 C ATOM 1176 CG PHE A 73 11.006 -3.213 2.247 1.00 0.00 C ATOM 1177 CD1 PHE A 73 9.804 -3.874 2.440 1.00 0.00 C ATOM 1178 CD2 PHE A 73 11.283 -2.094 3.015 1.00 0.00 C ATOM 1179 CE1 PHE A 73 8.895 -3.427 3.381 1.00 0.00 C ATOM 1180 CE2 PHE A 73 10.378 -1.643 3.958 1.00 0.00 C ATOM 1181 CZ PHE A 73 9.183 -2.310 4.140 1.00 0.00 C ATOM 0 H PHE A 73 13.779 -3.993 3.225 1.00 0.00 H new ATOM 0 HA PHE A 73 12.100 -5.814 1.600 1.00 0.00 H new ATOM 0 HB2 PHE A 73 12.702 -2.904 1.005 1.00 0.00 H new ATOM 0 HB3 PHE A 73 11.461 -3.918 0.295 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.574 -4.748 1.849 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.216 -1.568 2.876 1.00 0.00 H new ATOM 0 HE1 PHE A 73 7.961 -3.951 3.522 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.606 -0.770 4.552 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.474 -1.959 4.875 1.00 0.00 H new ATOM 1191 N LEU A 74 14.970 -4.340 0.871 1.00 0.00 N ATOM 1192 CA LEU A 74 16.168 -4.450 0.045 1.00 0.00 C ATOM 1193 C LEU A 74 17.138 -5.472 0.628 1.00 0.00 C ATOM 1194 O LEU A 74 18.321 -5.484 0.288 1.00 0.00 O ATOM 1195 CB LEU A 74 16.855 -3.089 -0.076 1.00 0.00 C ATOM 1196 CG LEU A 74 15.977 -1.936 -0.565 1.00 0.00 C ATOM 1197 CD1 LEU A 74 16.801 -0.667 -0.720 1.00 0.00 C ATOM 1198 CD2 LEU A 74 15.302 -2.300 -1.880 1.00 0.00 C ATOM 0 H LEU A 74 14.992 -3.575 1.546 1.00 0.00 H new ATOM 0 HA LEU A 74 15.866 -4.787 -0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.262 -2.821 0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.700 -3.190 -0.757 1.00 0.00 H new ATOM 0 HG LEU A 74 15.202 -1.753 0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 74 16.160 0.143 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.237 -0.396 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.598 -0.837 -1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.681 -1.468 -2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.062 -2.510 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 74 14.679 -3.183 -1.737 1.00 0.00 H new ATOM 1210 N ALA A 75 16.630 -6.329 1.507 1.00 0.00 N ATOM 1211 CA ALA A 75 17.450 -7.358 2.134 1.00 0.00 C ATOM 1212 C ALA A 75 16.975 -8.753 1.745 1.00 0.00 C ATOM 1213 O ALA A 75 15.778 -9.013 1.613 1.00 0.00 O ATOM 1214 CB ALA A 75 17.435 -7.196 3.647 1.00 0.00 C ATOM 0 H ALA A 75 15.653 -6.331 1.801 1.00 0.00 H new ATOM 0 HA ALA A 75 18.473 -7.239 1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 75 18.051 -7.971 4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 75 17.831 -6.216 3.912 1.00 0.00 H new ATOM 0 HB3 ALA A 75 16.412 -7.285 4.012 1.00 0.00 H new ATOM 1220 N PRO A 76 17.931 -9.674 1.554 1.00 0.00 N ATOM 1221 CA PRO A 76 17.633 -11.059 1.176 1.00 0.00 C ATOM 1222 C PRO A 76 16.971 -11.838 2.307 1.00 0.00 C ATOM 1223 O PRO A 76 17.163 -11.530 3.483 1.00 0.00 O ATOM 1224 CB PRO A 76 19.012 -11.644 0.859 1.00 0.00 C ATOM 1225 CG PRO A 76 19.966 -10.817 1.650 1.00 0.00 C ATOM 1226 CD PRO A 76 19.378 -9.434 1.694 1.00 0.00 C ATOM 0 HA PRO A 76 16.930 -11.113 0.344 1.00 0.00 H new ATOM 0 HB2 PRO A 76 19.071 -12.695 1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 76 19.230 -11.588 -0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 76 20.091 -11.220 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 76 20.952 -10.807 1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 76 19.613 -8.927 2.630 1.00 0.00 H new ATOM 0 HD3 PRO A 76 19.761 -8.808 0.888 1.00 0.00 H new ATOM 1234 N GLY A 77 16.190 -12.851 1.944 1.00 0.00 N ATOM 1235 CA GLY A 77 15.512 -13.660 2.940 1.00 0.00 C ATOM 1236 C GLY A 77 14.548 -12.851 3.784 1.00 0.00 C ATOM 1237 O GLY A 77 13.986 -13.358 4.754 1.00 0.00 O ATOM 0 H GLY A 77 16.015 -13.126 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.969 -14.464 2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 77 16.252 -14.129 3.588 1.00 0.00 H new ATOM 1241 N ALA A 78 14.357 -11.588 3.416 1.00 0.00 N ATOM 1242 CA ALA A 78 13.454 -10.707 4.146 1.00 0.00 C ATOM 1243 C ALA A 78 11.997 -11.059 3.865 1.00 0.00 C ATOM 1244 O ALA A 78 11.668 -11.684 2.856 1.00 0.00 O ATOM 1245 CB ALA A 78 13.727 -9.255 3.786 1.00 0.00 C ATOM 0 H ALA A 78 14.816 -11.152 2.616 1.00 0.00 H new ATOM 0 HA ALA A 78 13.635 -10.845 5.212 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.045 -8.609 4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 78 14.755 -9.003 4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.576 -9.111 2.716 1.00 0.00 H new ATOM 1251 N PRO A 79 11.102 -10.650 4.776 1.00 0.00 N ATOM 1252 CA PRO A 79 9.665 -10.911 4.647 1.00 0.00 C ATOM 1253 C PRO A 79 9.029 -10.108 3.518 1.00 0.00 C ATOM 1254 O PRO A 79 8.312 -10.657 2.681 1.00 0.00 O ATOM 1255 CB PRO A 79 9.101 -10.470 6.000 1.00 0.00 C ATOM 1256 CG PRO A 79 10.076 -9.463 6.506 1.00 0.00 C ATOM 1257 CD PRO A 79 11.423 -9.900 6.002 1.00 0.00 C ATOM 0 HA PRO A 79 9.461 -11.954 4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.106 -10.039 5.893 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.011 -11.313 6.685 1.00 0.00 H new ATOM 0 HG2 PRO A 79 9.829 -8.465 6.144 1.00 0.00 H new ATOM 0 HG3 PRO A 79 10.062 -9.420 7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 79 12.070 -9.048 5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 79 11.942 -10.524 6.730 1.00 0.00 H new ATOM 1265 N SER A 80 9.296 -8.806 3.500 1.00 0.00 N ATOM 1266 CA SER A 80 8.746 -7.927 2.475 1.00 0.00 C ATOM 1267 C SER A 80 9.777 -7.654 1.384 1.00 0.00 C ATOM 1268 O SER A 80 9.641 -6.707 0.609 1.00 0.00 O ATOM 1269 CB SER A 80 8.285 -6.608 3.098 1.00 0.00 C ATOM 1270 OG SER A 80 7.487 -6.837 4.246 1.00 0.00 O ATOM 0 H SER A 80 9.890 -8.337 4.184 1.00 0.00 H new ATOM 0 HA SER A 80 7.889 -8.427 2.024 1.00 0.00 H new ATOM 0 HB2 SER A 80 9.153 -6.007 3.369 1.00 0.00 H new ATOM 0 HB3 SER A 80 7.717 -6.035 2.365 1.00 0.00 H new ATOM 0 HG SER A 80 7.207 -5.978 4.626 1.00 0.00 H new ATOM 1276 N ALA A 81 10.807 -8.492 1.329 1.00 0.00 N ATOM 1277 CA ALA A 81 11.860 -8.343 0.333 1.00 0.00 C ATOM 1278 C ALA A 81 11.274 -8.103 -1.054 1.00 0.00 C ATOM 1279 O ALA A 81 10.810 -9.035 -1.713 1.00 0.00 O ATOM 1280 CB ALA A 81 12.755 -9.574 0.323 1.00 0.00 C ATOM 0 H ALA A 81 10.934 -9.281 1.963 1.00 0.00 H new ATOM 0 HA ALA A 81 12.459 -7.473 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.537 -9.449 -0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.210 -9.701 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 81 12.160 -10.455 0.082 1.00 0.00 H new ATOM 1286 N ILE A 82 11.296 -6.849 -1.492 1.00 0.00 N ATOM 1287 CA ILE A 82 10.767 -6.487 -2.801 1.00 0.00 C ATOM 1288 C ILE A 82 11.772 -6.795 -3.905 1.00 0.00 C ATOM 1289 O ILE A 82 12.872 -7.277 -3.639 1.00 0.00 O ATOM 1290 CB ILE A 82 10.393 -4.994 -2.864 1.00 0.00 C ATOM 1291 CG1 ILE A 82 11.649 -4.127 -2.761 1.00 0.00 C ATOM 1292 CG2 ILE A 82 9.410 -4.647 -1.756 1.00 0.00 C ATOM 1293 CD1 ILE A 82 11.415 -2.678 -3.127 1.00 0.00 C ATOM 0 H ILE A 82 11.675 -6.066 -0.959 1.00 0.00 H new ATOM 0 HA ILE A 82 9.869 -7.085 -2.954 1.00 0.00 H new ATOM 0 HB ILE A 82 9.914 -4.794 -3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.034 -4.178 -1.742 1.00 0.00 H new ATOM 0 HG13 ILE A 82 12.419 -4.538 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.155 -3.589 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.506 -5.245 -1.871 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.864 -4.859 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 82 12.348 -2.123 -3.031 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.060 -2.615 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.668 -2.250 -2.458 1.00 0.00 H new ATOM 1305 N ASN A 83 11.387 -6.511 -5.145 1.00 0.00 N ATOM 1306 CA ASN A 83 12.256 -6.756 -6.290 1.00 0.00 C ATOM 1307 C ASN A 83 12.367 -5.511 -7.165 1.00 0.00 C ATOM 1308 O ASN A 83 11.361 -4.901 -7.527 1.00 0.00 O ATOM 1309 CB ASN A 83 11.724 -7.928 -7.118 1.00 0.00 C ATOM 1310 CG ASN A 83 12.734 -8.421 -8.136 1.00 0.00 C ATOM 1311 OD1 ASN A 83 12.916 -7.657 -9.206 1.00 0.00 O flip ATOM 1312 ND2 ASN A 83 13.343 -9.477 -7.962 1.00 0.00 N flip ATOM 0 H ASN A 83 10.479 -6.111 -5.382 1.00 0.00 H new ATOM 0 HA ASN A 83 13.249 -7.005 -5.915 1.00 0.00 H new ATOM 0 HB2 ASN A 83 11.454 -8.747 -6.452 1.00 0.00 H new ATOM 0 HB3 ASN A 83 10.813 -7.622 -7.632 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.171 -10.033 -7.124 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.019 -9.796 -8.656 1.00 0.00 H new ATOM 1319 N LEU A 84 13.598 -5.140 -7.501 1.00 0.00 N ATOM 1320 CA LEU A 84 13.842 -3.968 -8.335 1.00 0.00 C ATOM 1321 C LEU A 84 14.775 -4.308 -9.493 1.00 0.00 C ATOM 1322 O LEU A 84 15.524 -5.283 -9.434 1.00 0.00 O ATOM 1323 CB LEU A 84 14.442 -2.838 -7.496 1.00 0.00 C ATOM 1324 CG LEU A 84 13.677 -2.465 -6.226 1.00 0.00 C ATOM 1325 CD1 LEU A 84 14.617 -1.860 -5.195 1.00 0.00 C ATOM 1326 CD2 LEU A 84 12.545 -1.500 -6.549 1.00 0.00 C ATOM 0 H LEU A 84 14.442 -5.633 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 84 12.888 -3.640 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 84 15.457 -3.121 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.521 -1.950 -8.123 1.00 0.00 H new ATOM 0 HG LEU A 84 13.245 -3.373 -5.805 1.00 0.00 H new ATOM 0 HD11 LEU A 84 14.055 -1.601 -4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 84 15.392 -2.583 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 84 15.079 -0.962 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 84 12.011 -1.245 -5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 84 12.955 -0.593 -6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.856 -1.969 -7.252 1.00 0.00 H new ATOM 1338 N ASP A 85 14.725 -3.496 -10.543 1.00 0.00 N ATOM 1339 CA ASP A 85 15.568 -3.709 -11.714 1.00 0.00 C ATOM 1340 C ASP A 85 17.044 -3.711 -11.328 1.00 0.00 C ATOM 1341 O ASP A 85 17.409 -3.296 -10.228 1.00 0.00 O ATOM 1342 CB ASP A 85 15.304 -2.627 -12.763 1.00 0.00 C ATOM 1343 CG ASP A 85 14.207 -3.017 -13.734 1.00 0.00 C ATOM 1344 OD1 ASP A 85 14.487 -3.813 -14.655 1.00 0.00 O ATOM 1345 OD2 ASP A 85 13.070 -2.526 -13.574 1.00 0.00 O ATOM 0 H ASP A 85 14.110 -2.685 -10.608 1.00 0.00 H new ATOM 0 HA ASP A 85 15.320 -4.682 -12.137 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.029 -1.699 -12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.222 -2.430 -13.317 1.00 0.00 H new ATOM 1350 N SER A 86 17.888 -4.182 -12.240 1.00 0.00 N ATOM 1351 CA SER A 86 19.324 -4.243 -11.993 1.00 0.00 C ATOM 1352 C SER A 86 19.915 -2.842 -11.876 1.00 0.00 C ATOM 1353 O SER A 86 20.695 -2.558 -10.966 1.00 0.00 O ATOM 1354 CB SER A 86 20.024 -5.012 -13.116 1.00 0.00 C ATOM 1355 OG SER A 86 21.385 -5.249 -12.801 1.00 0.00 O ATOM 0 H SER A 86 17.603 -4.527 -13.156 1.00 0.00 H new ATOM 0 HA SER A 86 19.484 -4.766 -11.050 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.515 -5.962 -13.282 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.956 -4.447 -14.045 1.00 0.00 H new ATOM 0 HG SER A 86 21.809 -5.743 -13.534 1.00 0.00 H new ATOM 1361 N LYS A 87 19.538 -1.968 -12.803 1.00 0.00 N ATOM 1362 CA LYS A 87 20.028 -0.595 -12.805 1.00 0.00 C ATOM 1363 C LYS A 87 19.547 0.157 -11.568 1.00 0.00 C ATOM 1364 O LYS A 87 20.304 0.908 -10.953 1.00 0.00 O ATOM 1365 CB LYS A 87 19.564 0.133 -14.069 1.00 0.00 C ATOM 1366 CG LYS A 87 18.059 0.325 -14.142 1.00 0.00 C ATOM 1367 CD LYS A 87 17.651 1.060 -15.407 1.00 0.00 C ATOM 1368 CE LYS A 87 16.149 1.297 -15.455 1.00 0.00 C ATOM 1369 NZ LYS A 87 15.717 1.852 -16.768 1.00 0.00 N ATOM 0 H LYS A 87 18.894 -2.187 -13.563 1.00 0.00 H new ATOM 0 HA LYS A 87 21.117 -0.626 -12.790 1.00 0.00 H new ATOM 0 HB2 LYS A 87 20.049 1.108 -14.115 1.00 0.00 H new ATOM 0 HB3 LYS A 87 19.893 -0.429 -14.943 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.565 -0.646 -14.109 1.00 0.00 H new ATOM 0 HG3 LYS A 87 17.720 0.884 -13.270 1.00 0.00 H new ATOM 0 HD2 LYS A 87 18.173 2.016 -15.458 1.00 0.00 H new ATOM 0 HD3 LYS A 87 17.957 0.483 -16.279 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.627 0.359 -15.268 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.864 1.984 -14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.688 1.999 -16.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 16.196 2.760 -16.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 15.966 1.185 -17.526 1.00 0.00 H new ATOM 1383 N SER A 88 18.285 -0.053 -11.207 1.00 0.00 N ATOM 1384 CA SER A 88 17.702 0.607 -10.045 1.00 0.00 C ATOM 1385 C SER A 88 18.294 0.053 -8.752 1.00 0.00 C ATOM 1386 O SER A 88 18.784 0.804 -7.908 1.00 0.00 O ATOM 1387 CB SER A 88 16.183 0.430 -10.039 1.00 0.00 C ATOM 1388 OG SER A 88 15.829 -0.942 -10.016 1.00 0.00 O ATOM 0 H SER A 88 17.647 -0.675 -11.703 1.00 0.00 H new ATOM 0 HA SER A 88 17.936 1.670 -10.107 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.759 0.933 -9.170 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.755 0.904 -10.922 1.00 0.00 H new ATOM 0 HG SER A 88 14.853 -1.028 -10.027 1.00 0.00 H new ATOM 1394 N TYR A 89 18.246 -1.267 -8.605 1.00 0.00 N ATOM 1395 CA TYR A 89 18.775 -1.923 -7.416 1.00 0.00 C ATOM 1396 C TYR A 89 20.246 -1.574 -7.209 1.00 0.00 C ATOM 1397 O TYR A 89 20.652 -1.167 -6.120 1.00 0.00 O ATOM 1398 CB TYR A 89 18.611 -3.440 -7.528 1.00 0.00 C ATOM 1399 CG TYR A 89 18.782 -4.167 -6.214 1.00 0.00 C ATOM 1400 CD1 TYR A 89 17.722 -4.292 -5.324 1.00 0.00 C ATOM 1401 CD2 TYR A 89 20.003 -4.728 -5.861 1.00 0.00 C ATOM 1402 CE1 TYR A 89 17.874 -4.954 -4.121 1.00 0.00 C ATOM 1403 CE2 TYR A 89 20.163 -5.393 -4.662 1.00 0.00 C ATOM 1404 CZ TYR A 89 19.096 -5.504 -3.795 1.00 0.00 C ATOM 1405 OH TYR A 89 19.252 -6.165 -2.598 1.00 0.00 O ATOM 0 H TYR A 89 17.846 -1.903 -9.295 1.00 0.00 H new ATOM 0 HA TYR A 89 18.211 -1.566 -6.555 1.00 0.00 H new ATOM 0 HB2 TYR A 89 17.622 -3.661 -7.930 1.00 0.00 H new ATOM 0 HB3 TYR A 89 19.339 -3.824 -8.243 1.00 0.00 H new ATOM 0 HD1 TYR A 89 16.763 -3.864 -5.577 1.00 0.00 H new ATOM 0 HD2 TYR A 89 20.841 -4.642 -6.536 1.00 0.00 H new ATOM 0 HE1 TYR A 89 17.041 -5.040 -3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 89 21.119 -5.824 -4.404 1.00 0.00 H new ATOM 0 HH TYR A 89 18.837 -5.643 -1.880 1.00 0.00 H new ATOM 1415 N ASP A 90 21.039 -1.735 -8.263 1.00 0.00 N ATOM 1416 CA ASP A 90 22.465 -1.436 -8.199 1.00 0.00 C ATOM 1417 C ASP A 90 22.703 -0.048 -7.612 1.00 0.00 C ATOM 1418 O ASP A 90 23.442 0.109 -6.641 1.00 0.00 O ATOM 1419 CB ASP A 90 23.089 -1.528 -9.592 1.00 0.00 C ATOM 1420 CG ASP A 90 23.582 -2.925 -9.915 1.00 0.00 C ATOM 1421 OD1 ASP A 90 22.969 -3.897 -9.427 1.00 0.00 O ATOM 1422 OD2 ASP A 90 24.581 -3.047 -10.654 1.00 0.00 O ATOM 0 H ASP A 90 20.719 -2.071 -9.171 1.00 0.00 H new ATOM 0 HA ASP A 90 22.937 -2.172 -7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 90 22.354 -1.224 -10.337 1.00 0.00 H new ATOM 0 HB3 ASP A 90 23.921 -0.827 -9.661 1.00 0.00 H new ATOM 1427 N LYS A 91 22.072 0.958 -8.210 1.00 0.00 N ATOM 1428 CA LYS A 91 22.215 2.333 -7.747 1.00 0.00 C ATOM 1429 C LYS A 91 21.886 2.445 -6.262 1.00 0.00 C ATOM 1430 O LYS A 91 22.736 2.823 -5.454 1.00 0.00 O ATOM 1431 CB LYS A 91 21.302 3.261 -8.553 1.00 0.00 C ATOM 1432 CG LYS A 91 21.612 4.735 -8.361 1.00 0.00 C ATOM 1433 CD LYS A 91 22.928 5.119 -9.016 1.00 0.00 C ATOM 1434 CE LYS A 91 23.590 6.284 -8.297 1.00 0.00 C ATOM 1435 NZ LYS A 91 24.575 6.985 -9.167 1.00 0.00 N ATOM 0 H LYS A 91 21.457 0.846 -9.016 1.00 0.00 H new ATOM 0 HA LYS A 91 23.252 2.633 -7.895 1.00 0.00 H new ATOM 0 HB2 LYS A 91 21.390 3.015 -9.611 1.00 0.00 H new ATOM 0 HB3 LYS A 91 20.266 3.076 -8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 91 20.806 5.335 -8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 91 21.655 4.963 -7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 91 23.600 4.261 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 91 22.753 5.386 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 91 22.827 6.990 -7.970 1.00 0.00 H new ATOM 0 HE3 LYS A 91 24.092 5.920 -7.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 25.004 7.773 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 25.318 6.318 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 24.092 7.355 -10.010 1.00 0.00 H new ATOM 1449 N THR A 92 20.649 2.112 -5.907 1.00 0.00 N ATOM 1450 CA THR A 92 20.209 2.174 -4.519 1.00 0.00 C ATOM 1451 C THR A 92 21.275 1.624 -3.579 1.00 0.00 C ATOM 1452 O THR A 92 21.711 2.305 -2.650 1.00 0.00 O ATOM 1453 CB THR A 92 18.901 1.389 -4.309 1.00 0.00 C ATOM 1454 OG1 THR A 92 17.853 1.962 -5.099 1.00 0.00 O ATOM 1455 CG2 THR A 92 18.497 1.393 -2.842 1.00 0.00 C ATOM 0 H THR A 92 19.934 1.796 -6.562 1.00 0.00 H new ATOM 0 HA THR A 92 20.034 3.225 -4.290 1.00 0.00 H new ATOM 0 HB THR A 92 19.068 0.358 -4.621 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.983 1.721 -6.040 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.570 0.833 -2.718 1.00 0.00 H new ATOM 0 HG22 THR A 92 19.284 0.930 -2.247 1.00 0.00 H new ATOM 0 HG23 THR A 92 18.347 2.420 -2.509 1.00 0.00 H new ATOM 1463 N THR A 93 21.694 0.386 -3.826 1.00 0.00 N ATOM 1464 CA THR A 93 22.709 -0.256 -3.001 1.00 0.00 C ATOM 1465 C THR A 93 23.911 0.659 -2.796 1.00 0.00 C ATOM 1466 O THR A 93 24.256 1.002 -1.665 1.00 0.00 O ATOM 1467 CB THR A 93 23.188 -1.580 -3.628 1.00 0.00 C ATOM 1468 OG1 THR A 93 22.063 -2.347 -4.071 1.00 0.00 O ATOM 1469 CG2 THR A 93 23.998 -2.390 -2.628 1.00 0.00 C ATOM 0 H THR A 93 21.345 -0.191 -4.591 1.00 0.00 H new ATOM 0 HA THR A 93 22.246 -0.465 -2.037 1.00 0.00 H new ATOM 0 HB THR A 93 23.825 -1.344 -4.481 1.00 0.00 H new ATOM 0 HG1 THR A 93 21.704 -1.955 -4.894 1.00 0.00 H new ATOM 0 HG21 THR A 93 24.325 -3.320 -3.093 1.00 0.00 H new ATOM 0 HG22 THR A 93 24.869 -1.815 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 93 23.381 -2.617 -1.759 1.00 0.00 H new ATOM 1477 N HIS A 94 24.544 1.053 -3.896 1.00 0.00 N ATOM 1478 CA HIS A 94 25.707 1.931 -3.836 1.00 0.00 C ATOM 1479 C HIS A 94 25.431 3.139 -2.947 1.00 0.00 C ATOM 1480 O HIS A 94 26.339 3.680 -2.319 1.00 0.00 O ATOM 1481 CB HIS A 94 26.095 2.395 -5.241 1.00 0.00 C ATOM 1482 CG HIS A 94 26.385 1.269 -6.185 1.00 0.00 C ATOM 1483 ND1 HIS A 94 25.771 0.893 -7.331 1.00 0.00 N flip ATOM 1484 CD2 HIS A 94 27.417 0.374 -5.994 1.00 0.00 C flip ATOM 1485 CE1 HIS A 94 26.436 -0.209 -7.808 1.00 0.00 C flip ATOM 1486 NE2 HIS A 94 27.426 -0.502 -6.983 1.00 0.00 N flip ATOM 0 H HIS A 94 24.271 0.778 -4.840 1.00 0.00 H new ATOM 0 HA HIS A 94 26.535 1.367 -3.406 1.00 0.00 H new ATOM 0 HB2 HIS A 94 25.288 3.002 -5.650 1.00 0.00 H new ATOM 0 HB3 HIS A 94 26.973 3.037 -5.173 1.00 0.00 H new ATOM 0 HD1 HIS A 94 24.964 1.345 -7.761 1.00 0.00 H new ATOM 0 HD2 HIS A 94 28.110 0.387 -5.165 1.00 0.00 H new ATOM 0 HE1 HIS A 94 26.190 -0.749 -8.711 1.00 0.00 H new ATOM 1494 N ASN A 95 24.170 3.556 -2.899 1.00 0.00 N ATOM 1495 CA ASN A 95 23.774 4.702 -2.088 1.00 0.00 C ATOM 1496 C ASN A 95 23.507 4.280 -0.646 1.00 0.00 C ATOM 1497 O ASN A 95 23.781 5.029 0.292 1.00 0.00 O ATOM 1498 CB ASN A 95 22.527 5.364 -2.677 1.00 0.00 C ATOM 1499 CG ASN A 95 22.865 6.392 -3.739 1.00 0.00 C ATOM 1500 OD1 ASN A 95 23.787 7.191 -3.575 1.00 0.00 O ATOM 1501 ND2 ASN A 95 22.119 6.375 -4.838 1.00 0.00 N ATOM 0 H ASN A 95 23.405 3.118 -3.412 1.00 0.00 H new ATOM 0 HA ASN A 95 24.594 5.420 -2.093 1.00 0.00 H new ATOM 0 HB2 ASN A 95 21.882 4.598 -3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 95 21.962 5.844 -1.878 1.00 0.00 H new ATOM 0 HD21 ASN A 95 22.301 7.042 -5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 95 21.365 5.695 -4.932 1.00 0.00 H new ATOM 1508 N VAL A 96 22.969 3.076 -0.477 1.00 0.00 N ATOM 1509 CA VAL A 96 22.666 2.554 0.850 1.00 0.00 C ATOM 1510 C VAL A 96 23.776 2.890 1.840 1.00 0.00 C ATOM 1511 O VAL A 96 23.570 3.651 2.786 1.00 0.00 O ATOM 1512 CB VAL A 96 22.466 1.027 0.820 1.00 0.00 C ATOM 1513 CG1 VAL A 96 22.423 0.466 2.233 1.00 0.00 C ATOM 1514 CG2 VAL A 96 21.198 0.672 0.058 1.00 0.00 C ATOM 0 H VAL A 96 22.734 2.444 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 96 21.739 3.029 1.172 1.00 0.00 H new ATOM 0 HB VAL A 96 23.313 0.577 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 96 22.281 -0.614 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 96 23.361 0.690 2.742 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.596 0.920 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 96 21.072 -0.411 0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 96 20.339 1.132 0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 96 21.274 1.040 -0.965 1.00 0.00 H new ATOM 1524 N LYS A 97 24.954 2.319 1.616 1.00 0.00 N ATOM 1525 CA LYS A 97 26.099 2.558 2.486 1.00 0.00 C ATOM 1526 C LYS A 97 26.069 3.976 3.047 1.00 0.00 C ATOM 1527 O LYS A 97 26.444 4.207 4.196 1.00 0.00 O ATOM 1528 CB LYS A 97 27.405 2.329 1.720 1.00 0.00 C ATOM 1529 CG LYS A 97 27.264 2.489 0.216 1.00 0.00 C ATOM 1530 CD LYS A 97 27.035 1.152 -0.468 1.00 0.00 C ATOM 1531 CE LYS A 97 28.343 0.406 -0.685 1.00 0.00 C ATOM 1532 NZ LYS A 97 29.212 1.090 -1.681 1.00 0.00 N ATOM 0 H LYS A 97 25.141 1.686 0.838 1.00 0.00 H new ATOM 0 HA LYS A 97 26.045 1.855 3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 97 28.157 3.030 2.083 1.00 0.00 H new ATOM 0 HB3 LYS A 97 27.773 1.326 1.937 1.00 0.00 H new ATOM 0 HG2 LYS A 97 26.432 3.158 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 97 28.163 2.956 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.363 0.543 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 97 26.543 1.312 -1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 97 28.874 0.321 0.263 1.00 0.00 H new ATOM 0 HE3 LYS A 97 28.131 -0.608 -1.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 29.899 0.411 -2.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 28.626 1.465 -2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 29.719 1.872 -1.220 1.00 0.00 H new ATOM 1546 N GLU A 98 25.619 4.923 2.229 1.00 0.00 N ATOM 1547 CA GLU A 98 25.540 6.318 2.645 1.00 0.00 C ATOM 1548 C GLU A 98 24.155 6.642 3.198 1.00 0.00 C ATOM 1549 O GLU A 98 23.173 6.745 2.463 1.00 0.00 O ATOM 1550 CB GLU A 98 25.861 7.243 1.470 1.00 0.00 C ATOM 1551 CG GLU A 98 27.167 6.907 0.770 1.00 0.00 C ATOM 1552 CD GLU A 98 28.356 6.930 1.711 1.00 0.00 C ATOM 1553 OE1 GLU A 98 28.563 5.929 2.429 1.00 0.00 O ATOM 1554 OE2 GLU A 98 29.079 7.948 1.731 1.00 0.00 O ATOM 0 H GLU A 98 25.304 4.749 1.275 1.00 0.00 H new ATOM 0 HA GLU A 98 26.275 6.478 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 98 25.047 7.193 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 98 25.905 8.271 1.829 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.087 5.920 0.315 1.00 0.00 H new ATOM 0 HG3 GLU A 98 27.335 7.618 -0.039 1.00 0.00 H new ATOM 1561 N PRO A 99 24.073 6.807 4.527 1.00 0.00 N ATOM 1562 CA PRO A 99 22.814 7.122 5.209 1.00 0.00 C ATOM 1563 C PRO A 99 22.328 8.535 4.906 1.00 0.00 C ATOM 1564 O PRO A 99 23.015 9.514 5.195 1.00 0.00 O ATOM 1565 CB PRO A 99 23.171 6.986 6.692 1.00 0.00 C ATOM 1566 CG PRO A 99 24.638 7.234 6.753 1.00 0.00 C ATOM 1567 CD PRO A 99 25.202 6.699 5.466 1.00 0.00 C ATOM 0 HA PRO A 99 22.003 6.468 4.889 1.00 0.00 H new ATOM 0 HB2 PRO A 99 22.622 7.706 7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 99 22.921 5.995 7.070 1.00 0.00 H new ATOM 0 HG2 PRO A 99 24.850 8.298 6.860 1.00 0.00 H new ATOM 0 HG3 PRO A 99 25.083 6.733 7.612 1.00 0.00 H new ATOM 0 HD2 PRO A 99 26.060 7.281 5.131 1.00 0.00 H new ATOM 0 HD3 PRO A 99 25.538 5.668 5.573 1.00 0.00 H new ATOM 1575 N GLY A 100 21.138 8.634 4.321 1.00 0.00 N ATOM 1576 CA GLY A 100 20.581 9.932 3.988 1.00 0.00 C ATOM 1577 C GLY A 100 19.071 9.965 4.116 1.00 0.00 C ATOM 1578 O GLY A 100 18.490 9.204 4.890 1.00 0.00 O ATOM 0 H GLY A 100 20.550 7.839 4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 100 21.015 10.689 4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 100 20.862 10.194 2.968 1.00 0.00 H new ATOM 1582 N ARG A 101 18.433 10.848 3.355 1.00 0.00 N ATOM 1583 CA ARG A 101 16.981 10.979 3.389 1.00 0.00 C ATOM 1584 C ARG A 101 16.370 10.606 2.041 1.00 0.00 C ATOM 1585 O ARG A 101 15.261 10.076 1.976 1.00 0.00 O ATOM 1586 CB ARG A 101 16.585 12.408 3.762 1.00 0.00 C ATOM 1587 CG ARG A 101 17.095 12.846 5.125 1.00 0.00 C ATOM 1588 CD ARG A 101 16.212 13.925 5.731 1.00 0.00 C ATOM 1589 NE ARG A 101 16.646 14.297 7.075 1.00 0.00 N ATOM 1590 CZ ARG A 101 17.586 15.204 7.318 1.00 0.00 C ATOM 1591 NH1 ARG A 101 18.187 15.827 6.314 1.00 0.00 N ATOM 1592 NH2 ARG A 101 17.926 15.488 8.569 1.00 0.00 N ATOM 0 H ARG A 101 18.899 11.484 2.707 1.00 0.00 H new ATOM 0 HA ARG A 101 16.597 10.294 4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.967 13.091 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 101 15.498 12.490 3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.132 11.986 5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.115 13.220 5.030 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.224 14.806 5.089 1.00 0.00 H new ATOM 0 HD3 ARG A 101 15.181 13.572 5.768 1.00 0.00 H new ATOM 0 HE ARG A 101 16.204 13.836 7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 101 17.928 15.611 5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 101 18.908 16.523 6.504 1.00 0.00 H new ATOM 0 HH21 ARG A 101 17.466 15.010 9.344 1.00 0.00 H new ATOM 0 HH22 ARG A 101 18.648 16.184 8.756 1.00 0.00 H new ATOM 1606 N TYR A 102 17.102 10.885 0.968 1.00 0.00 N ATOM 1607 CA TYR A 102 16.631 10.582 -0.378 1.00 0.00 C ATOM 1608 C TYR A 102 17.438 9.442 -0.993 1.00 0.00 C ATOM 1609 O TYR A 102 17.433 9.247 -2.209 1.00 0.00 O ATOM 1610 CB TYR A 102 16.724 11.824 -1.266 1.00 0.00 C ATOM 1611 CG TYR A 102 16.010 13.029 -0.696 1.00 0.00 C ATOM 1612 CD1 TYR A 102 14.720 12.923 -0.191 1.00 0.00 C ATOM 1613 CD2 TYR A 102 16.626 14.274 -0.663 1.00 0.00 C ATOM 1614 CE1 TYR A 102 14.064 14.022 0.330 1.00 0.00 C ATOM 1615 CE2 TYR A 102 15.978 15.379 -0.144 1.00 0.00 C ATOM 1616 CZ TYR A 102 14.698 15.247 0.351 1.00 0.00 C ATOM 1617 OH TYR A 102 14.048 16.344 0.870 1.00 0.00 O ATOM 0 H TYR A 102 18.024 11.320 1.004 1.00 0.00 H new ATOM 0 HA TYR A 102 15.589 10.270 -0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 102 17.774 12.073 -1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 102 16.305 11.593 -2.245 1.00 0.00 H new ATOM 0 HD1 TYR A 102 14.221 11.965 -0.206 1.00 0.00 H new ATOM 0 HD2 TYR A 102 17.629 14.380 -1.050 1.00 0.00 H new ATOM 0 HE1 TYR A 102 13.061 13.922 0.718 1.00 0.00 H new ATOM 0 HE2 TYR A 102 16.471 16.340 -0.126 1.00 0.00 H new ATOM 0 HH TYR A 102 14.632 17.128 0.811 1.00 0.00 H new ATOM 1627 N THR A 103 18.130 8.690 -0.144 1.00 0.00 N ATOM 1628 CA THR A 103 18.942 7.570 -0.601 1.00 0.00 C ATOM 1629 C THR A 103 18.108 6.578 -1.404 1.00 0.00 C ATOM 1630 O THR A 103 18.564 6.045 -2.416 1.00 0.00 O ATOM 1631 CB THR A 103 19.599 6.832 0.581 1.00 0.00 C ATOM 1632 OG1 THR A 103 20.496 7.711 1.269 1.00 0.00 O ATOM 1633 CG2 THR A 103 20.355 5.603 0.099 1.00 0.00 C ATOM 0 H THR A 103 18.144 8.837 0.865 1.00 0.00 H new ATOM 0 HA THR A 103 19.722 7.985 -1.239 1.00 0.00 H new ATOM 0 HB THR A 103 18.812 6.510 1.263 1.00 0.00 H new ATOM 0 HG1 THR A 103 21.274 7.204 1.582 1.00 0.00 H new ATOM 0 HG21 THR A 103 20.810 5.098 0.951 1.00 0.00 H new ATOM 0 HG22 THR A 103 19.664 4.923 -0.399 1.00 0.00 H new ATOM 0 HG23 THR A 103 21.133 5.906 -0.601 1.00 0.00 H new ATOM 1641 N PHE A 104 16.884 6.335 -0.948 1.00 0.00 N ATOM 1642 CA PHE A 104 15.986 5.407 -1.624 1.00 0.00 C ATOM 1643 C PHE A 104 14.987 6.157 -2.500 1.00 0.00 C ATOM 1644 O PHE A 104 13.961 5.607 -2.900 1.00 0.00 O ATOM 1645 CB PHE A 104 15.240 4.548 -0.601 1.00 0.00 C ATOM 1646 CG PHE A 104 16.150 3.775 0.310 1.00 0.00 C ATOM 1647 CD1 PHE A 104 16.939 2.749 -0.185 1.00 0.00 C ATOM 1648 CD2 PHE A 104 16.217 4.074 1.661 1.00 0.00 C ATOM 1649 CE1 PHE A 104 17.778 2.035 0.651 1.00 0.00 C ATOM 1650 CE2 PHE A 104 17.055 3.365 2.501 1.00 0.00 C ATOM 1651 CZ PHE A 104 17.835 2.343 1.996 1.00 0.00 C ATOM 0 H PHE A 104 16.491 6.768 -0.112 1.00 0.00 H new ATOM 0 HA PHE A 104 16.587 4.759 -2.262 1.00 0.00 H new ATOM 0 HB2 PHE A 104 14.597 5.190 0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 104 14.590 3.851 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 104 16.898 2.504 -1.236 1.00 0.00 H new ATOM 0 HD2 PHE A 104 15.608 4.870 2.062 1.00 0.00 H new ATOM 0 HE1 PHE A 104 18.388 1.238 0.253 1.00 0.00 H new ATOM 0 HE2 PHE A 104 17.100 3.610 3.552 1.00 0.00 H new ATOM 0 HZ PHE A 104 18.488 1.786 2.652 1.00 0.00 H new ATOM 1661 N GLU A 105 15.295 7.416 -2.793 1.00 0.00 N ATOM 1662 CA GLU A 105 14.423 8.243 -3.620 1.00 0.00 C ATOM 1663 C GLU A 105 14.099 7.543 -4.937 1.00 0.00 C ATOM 1664 O GLU A 105 12.939 7.256 -5.231 1.00 0.00 O ATOM 1665 CB GLU A 105 15.079 9.597 -3.897 1.00 0.00 C ATOM 1666 CG GLU A 105 14.111 10.648 -4.413 1.00 0.00 C ATOM 1667 CD GLU A 105 13.192 11.177 -3.329 1.00 0.00 C ATOM 1668 OE1 GLU A 105 12.580 10.355 -2.616 1.00 0.00 O ATOM 1669 OE2 GLU A 105 13.086 12.414 -3.194 1.00 0.00 O ATOM 0 H GLU A 105 16.141 7.886 -2.471 1.00 0.00 H new ATOM 0 HA GLU A 105 13.493 8.403 -3.075 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.542 9.961 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.878 9.462 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 105 14.675 11.476 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 105 13.511 10.221 -5.216 1.00 0.00 H new ATOM 1676 N ASP A 106 15.133 7.272 -5.726 1.00 0.00 N ATOM 1677 CA ASP A 106 14.960 6.605 -7.011 1.00 0.00 C ATOM 1678 C ASP A 106 14.048 5.391 -6.876 1.00 0.00 C ATOM 1679 O ASP A 106 13.039 5.279 -7.572 1.00 0.00 O ATOM 1680 CB ASP A 106 16.317 6.179 -7.575 1.00 0.00 C ATOM 1681 CG ASP A 106 17.309 7.324 -7.624 1.00 0.00 C ATOM 1682 OD1 ASP A 106 16.999 8.351 -8.263 1.00 0.00 O ATOM 1683 OD2 ASP A 106 18.397 7.193 -7.024 1.00 0.00 O ATOM 0 H ASP A 106 16.100 7.504 -5.498 1.00 0.00 H new ATOM 0 HA ASP A 106 14.494 7.311 -7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.725 5.375 -6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.180 5.778 -8.579 1.00 0.00 H new ATOM 1688 N ALA A 107 14.409 4.483 -5.975 1.00 0.00 N ATOM 1689 CA ALA A 107 13.622 3.277 -5.747 1.00 0.00 C ATOM 1690 C ALA A 107 12.149 3.614 -5.542 1.00 0.00 C ATOM 1691 O ALA A 107 11.277 3.049 -6.201 1.00 0.00 O ATOM 1692 CB ALA A 107 14.163 2.513 -4.548 1.00 0.00 C ATOM 0 H ALA A 107 15.242 4.560 -5.391 1.00 0.00 H new ATOM 0 HA ALA A 107 13.703 2.646 -6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 107 13.566 1.615 -4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 107 15.200 2.232 -4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 107 14.112 3.144 -3.661 1.00 0.00 H new ATOM 1698 N GLN A 108 11.880 4.536 -4.624 1.00 0.00 N ATOM 1699 CA GLN A 108 10.511 4.946 -4.332 1.00 0.00 C ATOM 1700 C GLN A 108 9.720 5.158 -5.618 1.00 0.00 C ATOM 1701 O GLN A 108 8.534 4.840 -5.687 1.00 0.00 O ATOM 1702 CB GLN A 108 10.507 6.229 -3.499 1.00 0.00 C ATOM 1703 CG GLN A 108 9.118 6.669 -3.066 1.00 0.00 C ATOM 1704 CD GLN A 108 9.149 7.864 -2.133 1.00 0.00 C ATOM 1705 OE1 GLN A 108 10.177 8.525 -1.986 1.00 0.00 O ATOM 1706 NE2 GLN A 108 8.018 8.146 -1.496 1.00 0.00 N ATOM 0 H GLN A 108 12.591 5.013 -4.070 1.00 0.00 H new ATOM 0 HA GLN A 108 10.034 4.149 -3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.124 6.079 -2.613 1.00 0.00 H new ATOM 0 HB3 GLN A 108 10.969 7.029 -4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.528 6.917 -3.948 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.616 5.838 -2.570 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.190 7.571 -1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 108 7.978 8.938 -0.855 1.00 0.00 H new ATOM 1715 N GLU A 109 10.386 5.698 -6.634 1.00 0.00 N ATOM 1716 CA GLU A 109 9.743 5.953 -7.918 1.00 0.00 C ATOM 1717 C GLU A 109 9.464 4.647 -8.656 1.00 0.00 C ATOM 1718 O GLU A 109 8.353 4.418 -9.137 1.00 0.00 O ATOM 1719 CB GLU A 109 10.622 6.861 -8.781 1.00 0.00 C ATOM 1720 CG GLU A 109 10.292 6.796 -10.263 1.00 0.00 C ATOM 1721 CD GLU A 109 11.199 7.676 -11.102 1.00 0.00 C ATOM 1722 OE1 GLU A 109 10.932 8.894 -11.184 1.00 0.00 O ATOM 1723 OE2 GLU A 109 12.175 7.149 -11.675 1.00 0.00 O ATOM 0 H GLU A 109 11.369 5.967 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 109 8.793 6.452 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 109 10.514 7.890 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 109 11.667 6.585 -8.637 1.00 0.00 H new ATOM 0 HG2 GLU A 109 10.375 5.764 -10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 109 9.256 7.099 -10.414 1.00 0.00 H new ATOM 1730 N HIS A 110 10.479 3.793 -8.742 1.00 0.00 N ATOM 1731 CA HIS A 110 10.344 2.509 -9.421 1.00 0.00 C ATOM 1732 C HIS A 110 9.095 1.773 -8.946 1.00 0.00 C ATOM 1733 O HIS A 110 8.305 1.286 -9.755 1.00 0.00 O ATOM 1734 CB HIS A 110 11.582 1.647 -9.178 1.00 0.00 C ATOM 1735 CG HIS A 110 11.799 0.600 -10.227 1.00 0.00 C ATOM 1736 ND1 HIS A 110 12.532 0.825 -11.373 1.00 0.00 N ATOM 1737 CD2 HIS A 110 11.376 -0.683 -10.298 1.00 0.00 C ATOM 1738 CE1 HIS A 110 12.548 -0.275 -12.105 1.00 0.00 C ATOM 1739 NE2 HIS A 110 11.854 -1.205 -11.475 1.00 0.00 N ATOM 0 H HIS A 110 11.404 3.967 -8.350 1.00 0.00 H new ATOM 0 HA HIS A 110 10.248 2.699 -10.490 1.00 0.00 H new ATOM 0 HB2 HIS A 110 12.460 2.291 -9.133 1.00 0.00 H new ATOM 0 HB3 HIS A 110 11.492 1.162 -8.206 1.00 0.00 H new ATOM 0 HD2 HIS A 110 10.774 -1.201 -9.565 1.00 0.00 H new ATOM 0 HE1 HIS A 110 13.044 -0.393 -13.057 1.00 0.00 H new ATOM 0 HE2 HIS A 110 11.698 -2.156 -11.808 1.00 0.00 H new ATOM 1747 N ILE A 111 8.924 1.695 -7.631 1.00 0.00 N ATOM 1748 CA ILE A 111 7.771 1.018 -7.049 1.00 0.00 C ATOM 1749 C ILE A 111 6.479 1.766 -7.361 1.00 0.00 C ATOM 1750 O ILE A 111 5.455 1.156 -7.667 1.00 0.00 O ATOM 1751 CB ILE A 111 7.913 0.876 -5.522 1.00 0.00 C ATOM 1752 CG1 ILE A 111 9.129 0.014 -5.179 1.00 0.00 C ATOM 1753 CG2 ILE A 111 6.647 0.278 -4.926 1.00 0.00 C ATOM 1754 CD1 ILE A 111 9.059 -1.385 -5.751 1.00 0.00 C ATOM 0 H ILE A 111 9.569 2.092 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 111 7.730 0.025 -7.496 1.00 0.00 H new ATOM 0 HB ILE A 111 8.061 1.866 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 111 10.029 0.505 -5.550 1.00 0.00 H new ATOM 0 HG13 ILE A 111 9.225 -0.050 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 111 6.763 0.184 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 111 5.800 0.928 -5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 111 6.471 -0.707 -5.359 1.00 0.00 H new ATOM 0 HD11 ILE A 111 9.954 -1.939 -5.468 1.00 0.00 H new ATOM 0 HD12 ILE A 111 8.178 -1.894 -5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 111 8.994 -1.331 -6.838 1.00 0.00 H new ATOM 1766 N TYR A 112 6.536 3.091 -7.284 1.00 0.00 N ATOM 1767 CA TYR A 112 5.371 3.923 -7.558 1.00 0.00 C ATOM 1768 C TYR A 112 4.799 3.622 -8.940 1.00 0.00 C ATOM 1769 O TYR A 112 3.604 3.366 -9.089 1.00 0.00 O ATOM 1770 CB TYR A 112 5.740 5.404 -7.458 1.00 0.00 C ATOM 1771 CG TYR A 112 4.674 6.332 -7.995 1.00 0.00 C ATOM 1772 CD1 TYR A 112 4.416 6.410 -9.358 1.00 0.00 C ATOM 1773 CD2 TYR A 112 3.925 7.130 -7.140 1.00 0.00 C ATOM 1774 CE1 TYR A 112 3.443 7.257 -9.853 1.00 0.00 C ATOM 1775 CE2 TYR A 112 2.949 7.979 -7.626 1.00 0.00 C ATOM 1776 CZ TYR A 112 2.712 8.039 -8.983 1.00 0.00 C ATOM 1777 OH TYR A 112 1.742 8.883 -9.472 1.00 0.00 O ATOM 0 H TYR A 112 7.377 3.612 -7.034 1.00 0.00 H new ATOM 0 HA TYR A 112 4.610 3.694 -6.812 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.933 5.652 -6.414 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.668 5.576 -8.003 1.00 0.00 H new ATOM 0 HD1 TYR A 112 4.986 5.798 -10.042 1.00 0.00 H new ATOM 0 HD2 TYR A 112 4.109 7.086 -6.077 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.256 7.307 -10.915 1.00 0.00 H new ATOM 0 HE2 TYR A 112 2.375 8.592 -6.947 1.00 0.00 H new ATOM 0 HH TYR A 112 1.420 9.464 -8.751 1.00 0.00 H new ATOM 1787 N LYS A 113 5.662 3.655 -9.950 1.00 0.00 N ATOM 1788 CA LYS A 113 5.246 3.385 -11.321 1.00 0.00 C ATOM 1789 C LYS A 113 4.715 1.961 -11.458 1.00 0.00 C ATOM 1790 O LYS A 113 4.130 1.602 -12.480 1.00 0.00 O ATOM 1791 CB LYS A 113 6.418 3.597 -12.282 1.00 0.00 C ATOM 1792 CG LYS A 113 7.013 4.993 -12.216 1.00 0.00 C ATOM 1793 CD LYS A 113 8.354 5.062 -12.928 1.00 0.00 C ATOM 1794 CE LYS A 113 9.411 4.241 -12.205 1.00 0.00 C ATOM 1795 NZ LYS A 113 9.463 2.840 -12.705 1.00 0.00 N ATOM 0 H LYS A 113 6.654 3.866 -9.845 1.00 0.00 H new ATOM 0 HA LYS A 113 4.445 4.079 -11.575 1.00 0.00 H new ATOM 0 HB2 LYS A 113 7.197 2.868 -12.058 1.00 0.00 H new ATOM 0 HB3 LYS A 113 6.082 3.402 -13.300 1.00 0.00 H new ATOM 0 HG2 LYS A 113 6.323 5.705 -12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 113 7.138 5.287 -11.174 1.00 0.00 H new ATOM 0 HD2 LYS A 113 8.244 4.698 -13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 113 8.680 6.100 -12.993 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.387 4.709 -12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 113 9.199 4.237 -11.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.097 2.197 -11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 8.881 2.756 -13.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.447 2.587 -12.928 1.00 0.00 H new ATOM 1809 N LEU A 114 4.921 1.156 -10.422 1.00 0.00 N ATOM 1810 CA LEU A 114 4.461 -0.229 -10.425 1.00 0.00 C ATOM 1811 C LEU A 114 3.098 -0.351 -9.752 1.00 0.00 C ATOM 1812 O LEU A 114 2.107 -0.700 -10.394 1.00 0.00 O ATOM 1813 CB LEU A 114 5.476 -1.126 -9.715 1.00 0.00 C ATOM 1814 CG LEU A 114 4.919 -2.406 -9.090 1.00 0.00 C ATOM 1815 CD1 LEU A 114 5.255 -3.611 -9.954 1.00 0.00 C ATOM 1816 CD2 LEU A 114 5.461 -2.590 -7.680 1.00 0.00 C ATOM 0 H LEU A 114 5.404 1.438 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 114 4.364 -0.552 -11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.250 -1.402 -10.431 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.960 -0.543 -8.931 1.00 0.00 H new ATOM 0 HG LEU A 114 3.834 -2.318 -9.032 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.851 -4.513 -9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.818 -3.482 -10.944 1.00 0.00 H new ATOM 0 HD13 LEU A 114 6.337 -3.704 -10.044 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.054 -3.506 -7.250 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.548 -2.657 -7.714 1.00 0.00 H new ATOM 0 HD23 LEU A 114 5.169 -1.739 -7.064 1.00 0.00 H new ATOM 1828 N MET A 115 3.055 -0.061 -8.456 1.00 0.00 N ATOM 1829 CA MET A 115 1.812 -0.136 -7.697 1.00 0.00 C ATOM 1830 C MET A 115 0.700 0.639 -8.397 1.00 0.00 C ATOM 1831 O MET A 115 -0.476 0.293 -8.287 1.00 0.00 O ATOM 1832 CB MET A 115 2.019 0.412 -6.283 1.00 0.00 C ATOM 1833 CG MET A 115 3.286 -0.096 -5.614 1.00 0.00 C ATOM 1834 SD MET A 115 3.456 0.485 -3.916 1.00 0.00 S ATOM 1835 CE MET A 115 3.647 2.247 -4.179 1.00 0.00 C ATOM 0 H MET A 115 3.866 0.228 -7.909 1.00 0.00 H new ATOM 0 HA MET A 115 1.517 -1.183 -7.634 1.00 0.00 H new ATOM 0 HB2 MET A 115 2.052 1.501 -6.325 1.00 0.00 H new ATOM 0 HB3 MET A 115 1.160 0.142 -5.668 1.00 0.00 H new ATOM 0 HG2 MET A 115 3.285 -1.186 -5.622 1.00 0.00 H new ATOM 0 HG3 MET A 115 4.152 0.226 -6.192 1.00 0.00 H new ATOM 0 HE1 MET A 115 4.591 2.579 -3.747 1.00 0.00 H new ATOM 0 HE2 MET A 115 3.644 2.458 -5.248 1.00 0.00 H new ATOM 0 HE3 MET A 115 2.823 2.778 -3.702 1.00 0.00 H new ATOM 1845 N LYS A 116 1.080 1.689 -9.117 1.00 0.00 N ATOM 1846 CA LYS A 116 0.116 2.513 -9.836 1.00 0.00 C ATOM 1847 C LYS A 116 -0.728 1.664 -10.781 1.00 0.00 C ATOM 1848 O LYS A 116 -1.949 1.810 -10.840 1.00 0.00 O ATOM 1849 CB LYS A 116 0.838 3.608 -10.625 1.00 0.00 C ATOM 1850 CG LYS A 116 1.684 3.076 -11.769 1.00 0.00 C ATOM 1851 CD LYS A 116 2.300 4.205 -12.579 1.00 0.00 C ATOM 1852 CE LYS A 116 1.306 4.784 -13.574 1.00 0.00 C ATOM 1853 NZ LYS A 116 1.980 5.282 -14.805 1.00 0.00 N ATOM 0 H LYS A 116 2.049 1.989 -9.218 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.545 2.977 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.100 4.304 -11.023 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.475 4.174 -9.945 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.474 2.438 -11.372 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.069 2.454 -12.419 1.00 0.00 H new ATOM 0 HD2 LYS A 116 2.643 4.991 -11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 116 3.176 3.836 -13.112 1.00 0.00 H new ATOM 0 HE2 LYS A 116 0.575 4.021 -13.843 1.00 0.00 H new ATOM 0 HE3 LYS A 116 0.756 5.600 -13.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.269 5.669 -15.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 2.659 6.028 -14.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 2.484 4.498 -15.267 1.00 0.00 H new ATOM 1867 N SER A 117 -0.070 0.775 -11.518 1.00 0.00 N ATOM 1868 CA SER A 117 -0.760 -0.097 -12.462 1.00 0.00 C ATOM 1869 C SER A 117 -0.622 -1.559 -12.052 1.00 0.00 C ATOM 1870 O SER A 117 -0.838 -2.465 -12.857 1.00 0.00 O ATOM 1871 CB SER A 117 -0.204 0.103 -13.874 1.00 0.00 C ATOM 1872 OG SER A 117 -1.170 -0.233 -14.854 1.00 0.00 O ATOM 0 H SER A 117 0.940 0.639 -11.480 1.00 0.00 H new ATOM 0 HA SER A 117 -1.818 0.166 -12.455 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.104 1.140 -14.003 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.685 -0.513 -14.009 1.00 0.00 H new ATOM 0 HG SER A 117 -1.525 -1.128 -14.671 1.00 0.00 H new ATOM 1878 N ASP A 118 -0.260 -1.782 -10.793 1.00 0.00 N ATOM 1879 CA ASP A 118 -0.094 -3.135 -10.273 1.00 0.00 C ATOM 1880 C ASP A 118 -1.247 -3.506 -9.346 1.00 0.00 C ATOM 1881 O ASP A 118 -2.004 -4.436 -9.623 1.00 0.00 O ATOM 1882 CB ASP A 118 1.236 -3.257 -9.528 1.00 0.00 C ATOM 1883 CG ASP A 118 2.354 -3.764 -10.418 1.00 0.00 C ATOM 1884 OD1 ASP A 118 2.608 -3.136 -11.467 1.00 0.00 O ATOM 1885 OD2 ASP A 118 2.975 -4.789 -10.066 1.00 0.00 O ATOM 0 H ASP A 118 -0.076 -1.044 -10.114 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.094 -3.825 -11.117 1.00 0.00 H new ATOM 0 HB2 ASP A 118 1.512 -2.284 -9.122 1.00 0.00 H new ATOM 0 HB3 ASP A 118 1.114 -3.933 -8.682 1.00 0.00 H new ATOM 1890 N SER A 119 -1.372 -2.774 -8.243 1.00 0.00 N ATOM 1891 CA SER A 119 -2.430 -3.030 -7.273 1.00 0.00 C ATOM 1892 C SER A 119 -3.630 -2.123 -7.525 1.00 0.00 C ATOM 1893 O SER A 119 -4.757 -2.594 -7.678 1.00 0.00 O ATOM 1894 CB SER A 119 -1.907 -2.819 -5.850 1.00 0.00 C ATOM 1895 OG SER A 119 -0.906 -3.770 -5.529 1.00 0.00 O ATOM 0 H SER A 119 -0.754 -2.000 -7.999 1.00 0.00 H new ATOM 0 HA SER A 119 -2.750 -4.066 -7.386 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.501 -1.812 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.731 -2.900 -5.141 1.00 0.00 H new ATOM 0 HG SER A 119 -1.326 -4.578 -5.166 1.00 0.00 H new ATOM 1901 N TYR A 120 -3.379 -0.819 -7.567 1.00 0.00 N ATOM 1902 CA TYR A 120 -4.439 0.156 -7.799 1.00 0.00 C ATOM 1903 C TYR A 120 -5.487 -0.396 -8.760 1.00 0.00 C ATOM 1904 O TYR A 120 -6.689 -0.355 -8.498 1.00 0.00 O ATOM 1905 CB TYR A 120 -3.853 1.454 -8.356 1.00 0.00 C ATOM 1906 CG TYR A 120 -4.867 2.318 -9.071 1.00 0.00 C ATOM 1907 CD1 TYR A 120 -5.716 3.159 -8.362 1.00 0.00 C ATOM 1908 CD2 TYR A 120 -4.976 2.294 -10.456 1.00 0.00 C ATOM 1909 CE1 TYR A 120 -6.644 3.950 -9.011 1.00 0.00 C ATOM 1910 CE2 TYR A 120 -5.901 3.082 -11.114 1.00 0.00 C ATOM 1911 CZ TYR A 120 -6.733 3.908 -10.387 1.00 0.00 C ATOM 1912 OH TYR A 120 -7.655 4.695 -11.037 1.00 0.00 O ATOM 0 H TYR A 120 -2.452 -0.413 -7.444 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.922 0.363 -6.844 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -3.414 2.025 -7.538 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -3.044 1.211 -9.045 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -5.649 3.195 -7.285 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -4.326 1.648 -11.028 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -7.296 4.598 -8.444 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -5.972 3.051 -12.191 1.00 0.00 H new ATOM 0 HH TYR A 120 -7.587 4.548 -12.004 1.00 0.00 H new ATOM 1922 N PRO A 121 -5.021 -0.927 -9.900 1.00 0.00 N ATOM 1923 CA PRO A 121 -5.900 -1.499 -10.924 1.00 0.00 C ATOM 1924 C PRO A 121 -6.931 -2.455 -10.334 1.00 0.00 C ATOM 1925 O PRO A 121 -8.135 -2.210 -10.413 1.00 0.00 O ATOM 1926 CB PRO A 121 -4.934 -2.254 -11.840 1.00 0.00 C ATOM 1927 CG PRO A 121 -3.629 -1.554 -11.673 1.00 0.00 C ATOM 1928 CD PRO A 121 -3.600 -1.009 -10.278 1.00 0.00 C ATOM 0 HA PRO A 121 -6.482 -0.733 -11.435 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.859 -3.304 -11.557 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.268 -2.226 -12.877 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -2.799 -2.241 -11.836 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -3.526 -0.751 -12.403 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -3.045 -1.663 -9.605 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -3.120 -0.031 -10.241 1.00 0.00 H new ATOM 1936 N ARG A 122 -6.451 -3.545 -9.744 1.00 0.00 N ATOM 1937 CA ARG A 122 -7.332 -4.538 -9.141 1.00 0.00 C ATOM 1938 C ARG A 122 -8.214 -3.904 -8.069 1.00 0.00 C ATOM 1939 O ARG A 122 -9.428 -4.106 -8.049 1.00 0.00 O ATOM 1940 CB ARG A 122 -6.512 -5.677 -8.534 1.00 0.00 C ATOM 1941 CG ARG A 122 -5.794 -6.530 -9.568 1.00 0.00 C ATOM 1942 CD ARG A 122 -5.360 -7.865 -8.985 1.00 0.00 C ATOM 1943 NE ARG A 122 -4.974 -8.817 -10.024 1.00 0.00 N ATOM 1944 CZ ARG A 122 -5.019 -10.135 -9.867 1.00 0.00 C ATOM 1945 NH1 ARG A 122 -5.433 -10.655 -8.720 1.00 0.00 N ATOM 1946 NH2 ARG A 122 -4.651 -10.935 -10.859 1.00 0.00 N ATOM 0 H ARG A 122 -5.457 -3.763 -9.671 1.00 0.00 H new ATOM 0 HA ARG A 122 -7.975 -4.940 -9.924 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -5.777 -5.258 -7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -7.172 -6.314 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -6.452 -6.701 -10.420 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -4.921 -5.994 -9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -4.521 -7.709 -8.307 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -6.174 -8.284 -8.394 1.00 0.00 H new ATOM 0 HE ARG A 122 -4.652 -8.449 -10.919 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -5.718 -10.043 -7.956 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -5.467 -11.668 -8.602 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -4.333 -10.538 -11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -4.686 -11.947 -10.738 1.00 0.00 H new ATOM 1960 N PHE A 123 -7.594 -3.137 -7.178 1.00 0.00 N ATOM 1961 CA PHE A 123 -8.321 -2.475 -6.102 1.00 0.00 C ATOM 1962 C PHE A 123 -9.648 -1.916 -6.606 1.00 0.00 C ATOM 1963 O PHE A 123 -10.692 -2.110 -5.983 1.00 0.00 O ATOM 1964 CB PHE A 123 -7.475 -1.349 -5.504 1.00 0.00 C ATOM 1965 CG PHE A 123 -8.116 -0.681 -4.321 1.00 0.00 C ATOM 1966 CD1 PHE A 123 -8.231 -1.347 -3.111 1.00 0.00 C ATOM 1967 CD2 PHE A 123 -8.603 0.612 -4.418 1.00 0.00 C ATOM 1968 CE1 PHE A 123 -8.820 -0.736 -2.020 1.00 0.00 C ATOM 1969 CE2 PHE A 123 -9.193 1.229 -3.331 1.00 0.00 C ATOM 1970 CZ PHE A 123 -9.302 0.554 -2.131 1.00 0.00 C ATOM 0 H PHE A 123 -6.590 -2.959 -7.180 1.00 0.00 H new ATOM 0 HA PHE A 123 -8.529 -3.215 -5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -6.508 -1.752 -5.204 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -7.283 -0.601 -6.274 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -7.856 -2.356 -3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -8.521 1.144 -5.354 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -8.903 -1.266 -1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -9.568 2.238 -3.420 1.00 0.00 H new ATOM 0 HZ PHE A 123 -9.763 1.034 -1.281 1.00 0.00 H new ATOM 1980 N ILE A 124 -9.599 -1.221 -7.737 1.00 0.00 N ATOM 1981 CA ILE A 124 -10.797 -0.635 -8.326 1.00 0.00 C ATOM 1982 C ILE A 124 -11.839 -1.705 -8.634 1.00 0.00 C ATOM 1983 O ILE A 124 -13.039 -1.479 -8.481 1.00 0.00 O ATOM 1984 CB ILE A 124 -10.470 0.136 -9.619 1.00 0.00 C ATOM 1985 CG1 ILE A 124 -9.440 1.231 -9.339 1.00 0.00 C ATOM 1986 CG2 ILE A 124 -11.737 0.732 -10.214 1.00 0.00 C ATOM 1987 CD1 ILE A 124 -9.909 2.259 -8.333 1.00 0.00 C ATOM 0 H ILE A 124 -8.743 -1.050 -8.264 1.00 0.00 H new ATOM 0 HA ILE A 124 -11.202 0.061 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 124 -10.044 -0.560 -10.342 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -8.522 0.770 -8.974 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -9.194 1.735 -10.274 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -11.490 1.274 -11.127 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -12.441 -0.067 -10.445 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -12.189 1.417 -9.496 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -9.128 3.005 -8.184 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -10.810 2.747 -8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -10.127 1.767 -7.385 1.00 0.00 H new ATOM 1999 N ARG A 125 -11.371 -2.871 -9.068 1.00 0.00 N ATOM 2000 CA ARG A 125 -12.262 -3.977 -9.397 1.00 0.00 C ATOM 2001 C ARG A 125 -12.794 -4.641 -8.131 1.00 0.00 C ATOM 2002 O ARG A 125 -13.976 -4.974 -8.042 1.00 0.00 O ATOM 2003 CB ARG A 125 -11.531 -5.008 -10.259 1.00 0.00 C ATOM 2004 CG ARG A 125 -11.457 -4.631 -11.729 1.00 0.00 C ATOM 2005 CD ARG A 125 -10.490 -3.481 -11.961 1.00 0.00 C ATOM 2006 NE ARG A 125 -10.781 -2.761 -13.198 1.00 0.00 N ATOM 2007 CZ ARG A 125 -11.906 -2.087 -13.409 1.00 0.00 C ATOM 2008 NH1 ARG A 125 -12.841 -2.041 -12.469 1.00 0.00 N ATOM 2009 NH2 ARG A 125 -12.098 -1.458 -14.561 1.00 0.00 N ATOM 0 H ARG A 125 -10.380 -3.074 -9.200 1.00 0.00 H new ATOM 0 HA ARG A 125 -13.106 -3.577 -9.958 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -10.519 -5.138 -9.875 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -12.034 -5.970 -10.164 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -11.142 -5.496 -12.312 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -12.449 -4.351 -12.084 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -10.540 -2.790 -11.119 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -9.471 -3.866 -11.997 1.00 0.00 H new ATOM 0 HE ARG A 125 -10.082 -2.777 -13.941 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -12.697 -2.524 -11.582 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -13.704 -1.523 -12.633 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -11.381 -1.492 -15.286 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -12.962 -0.941 -14.722 1.00 0.00 H new ATOM 2023 N SER A 126 -11.914 -4.832 -7.154 1.00 0.00 N ATOM 2024 CA SER A 126 -12.294 -5.461 -5.894 1.00 0.00 C ATOM 2025 C SER A 126 -13.464 -4.724 -5.250 1.00 0.00 C ATOM 2026 O SER A 126 -13.679 -3.538 -5.502 1.00 0.00 O ATOM 2027 CB SER A 126 -11.103 -5.490 -4.934 1.00 0.00 C ATOM 2028 OG SER A 126 -11.326 -6.401 -3.872 1.00 0.00 O ATOM 0 H SER A 126 -10.932 -4.560 -7.210 1.00 0.00 H new ATOM 0 HA SER A 126 -12.605 -6.484 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 126 -10.201 -5.773 -5.477 1.00 0.00 H new ATOM 0 HB3 SER A 126 -10.932 -4.492 -4.531 1.00 0.00 H new ATOM 0 HG SER A 126 -10.466 -6.679 -3.494 1.00 0.00 H new ATOM 2034 N SER A 127 -14.217 -5.435 -4.417 1.00 0.00 N ATOM 2035 CA SER A 127 -15.368 -4.850 -3.739 1.00 0.00 C ATOM 2036 C SER A 127 -14.935 -4.099 -2.484 1.00 0.00 C ATOM 2037 O SER A 127 -15.529 -3.085 -2.118 1.00 0.00 O ATOM 2038 CB SER A 127 -16.378 -5.939 -3.372 1.00 0.00 C ATOM 2039 OG SER A 127 -16.887 -6.574 -4.532 1.00 0.00 O ATOM 0 H SER A 127 -14.051 -6.417 -4.195 1.00 0.00 H new ATOM 0 HA SER A 127 -15.839 -4.142 -4.421 1.00 0.00 H new ATOM 0 HB2 SER A 127 -15.902 -6.678 -2.728 1.00 0.00 H new ATOM 0 HB3 SER A 127 -17.199 -5.502 -2.803 1.00 0.00 H new ATOM 0 HG SER A 127 -17.529 -7.267 -4.271 1.00 0.00 H new ATOM 2045 N ALA A 128 -13.895 -4.604 -1.828 1.00 0.00 N ATOM 2046 CA ALA A 128 -13.380 -3.980 -0.616 1.00 0.00 C ATOM 2047 C ALA A 128 -13.461 -2.460 -0.703 1.00 0.00 C ATOM 2048 O ALA A 128 -13.825 -1.792 0.265 1.00 0.00 O ATOM 2049 CB ALA A 128 -11.946 -4.421 -0.364 1.00 0.00 C ATOM 0 H ALA A 128 -13.393 -5.444 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 128 -14.000 -4.303 0.220 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.574 -3.947 0.544 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -11.914 -5.504 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.322 -4.128 -1.208 1.00 0.00 H new ATOM 2055 N TYR A 129 -13.118 -1.920 -1.867 1.00 0.00 N ATOM 2056 CA TYR A 129 -13.149 -0.478 -2.080 1.00 0.00 C ATOM 2057 C TYR A 129 -14.582 0.045 -2.057 1.00 0.00 C ATOM 2058 O TYR A 129 -14.890 1.010 -1.358 1.00 0.00 O ATOM 2059 CB TYR A 129 -12.485 -0.123 -3.411 1.00 0.00 C ATOM 2060 CG TYR A 129 -12.923 1.212 -3.969 1.00 0.00 C ATOM 2061 CD1 TYR A 129 -12.319 2.392 -3.554 1.00 0.00 C ATOM 2062 CD2 TYR A 129 -13.940 1.293 -4.912 1.00 0.00 C ATOM 2063 CE1 TYR A 129 -12.716 3.615 -4.060 1.00 0.00 C ATOM 2064 CE2 TYR A 129 -14.343 2.511 -5.425 1.00 0.00 C ATOM 2065 CZ TYR A 129 -13.728 3.669 -4.996 1.00 0.00 C ATOM 2066 OH TYR A 129 -14.126 4.884 -5.504 1.00 0.00 O ATOM 0 H TYR A 129 -12.815 -2.459 -2.678 1.00 0.00 H new ATOM 0 HA TYR A 129 -12.596 -0.004 -1.269 1.00 0.00 H new ATOM 0 HB2 TYR A 129 -11.403 -0.114 -3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 129 -12.709 -0.903 -4.139 1.00 0.00 H new ATOM 0 HD1 TYR A 129 -11.525 2.353 -2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 129 -14.424 0.388 -5.250 1.00 0.00 H new ATOM 0 HE1 TYR A 129 -12.237 4.523 -3.725 1.00 0.00 H new ATOM 0 HE2 TYR A 129 -15.135 2.556 -6.158 1.00 0.00 H new ATOM 0 HH TYR A 129 -13.404 5.537 -5.394 1.00 0.00 H new ATOM 2076 N GLN A 130 -15.453 -0.599 -2.828 1.00 0.00 N ATOM 2077 CA GLN A 130 -16.853 -0.199 -2.897 1.00 0.00 C ATOM 2078 C GLN A 130 -17.508 -0.271 -1.521 1.00 0.00 C ATOM 2079 O GLN A 130 -18.341 0.567 -1.177 1.00 0.00 O ATOM 2080 CB GLN A 130 -17.611 -1.089 -3.883 1.00 0.00 C ATOM 2081 CG GLN A 130 -16.963 -1.166 -5.256 1.00 0.00 C ATOM 2082 CD GLN A 130 -17.436 -0.067 -6.187 1.00 0.00 C ATOM 2083 OE1 GLN A 130 -18.437 0.600 -5.921 1.00 0.00 O ATOM 2084 NE2 GLN A 130 -16.717 0.128 -7.286 1.00 0.00 N ATOM 0 H GLN A 130 -15.213 -1.399 -3.413 1.00 0.00 H new ATOM 0 HA GLN A 130 -16.894 0.833 -3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -17.685 -2.094 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -18.628 -0.713 -3.991 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -15.880 -1.103 -5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -17.183 -2.135 -5.703 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -15.895 -0.448 -7.466 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -16.987 0.854 -7.950 1.00 0.00 H new ATOM 2093 N GLU A 131 -17.125 -1.276 -0.740 1.00 0.00 N ATOM 2094 CA GLU A 131 -17.677 -1.457 0.597 1.00 0.00 C ATOM 2095 C GLU A 131 -17.909 -0.110 1.276 1.00 0.00 C ATOM 2096 O GLU A 131 -19.002 0.168 1.773 1.00 0.00 O ATOM 2097 CB GLU A 131 -16.740 -2.315 1.449 1.00 0.00 C ATOM 2098 CG GLU A 131 -16.523 -3.713 0.894 1.00 0.00 C ATOM 2099 CD GLU A 131 -17.687 -4.642 1.184 1.00 0.00 C ATOM 2100 OE1 GLU A 131 -18.827 -4.146 1.296 1.00 0.00 O ATOM 2101 OE2 GLU A 131 -17.457 -5.864 1.298 1.00 0.00 O ATOM 0 H GLU A 131 -16.435 -1.977 -1.010 1.00 0.00 H new ATOM 0 HA GLU A 131 -18.636 -1.966 0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -15.776 -1.813 1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -17.148 -2.392 2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -16.371 -3.653 -0.184 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -15.612 -4.133 1.322 1.00 0.00 H new ATOM 2108 N LEU A 132 -16.874 0.722 1.295 1.00 0.00 N ATOM 2109 CA LEU A 132 -16.963 2.040 1.914 1.00 0.00 C ATOM 2110 C LEU A 132 -17.958 2.925 1.170 1.00 0.00 C ATOM 2111 O LEU A 132 -18.827 3.550 1.781 1.00 0.00 O ATOM 2112 CB LEU A 132 -15.587 2.709 1.936 1.00 0.00 C ATOM 2113 CG LEU A 132 -14.469 1.920 2.619 1.00 0.00 C ATOM 2114 CD1 LEU A 132 -14.941 1.374 3.957 1.00 0.00 C ATOM 2115 CD2 LEU A 132 -13.986 0.792 1.719 1.00 0.00 C ATOM 0 H LEU A 132 -15.963 0.508 0.889 1.00 0.00 H new ATOM 0 HA LEU A 132 -17.314 1.910 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -15.287 2.911 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -15.682 3.673 2.435 1.00 0.00 H new ATOM 0 HG LEU A 132 -13.633 2.595 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -14.132 0.816 4.428 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -15.236 2.200 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -15.794 0.714 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -13.191 0.241 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -14.815 0.117 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -13.606 1.208 0.786 1.00 0.00 H new ATOM 2127 N LEU A 133 -17.828 2.972 -0.151 1.00 0.00 N ATOM 2128 CA LEU A 133 -18.718 3.778 -0.980 1.00 0.00 C ATOM 2129 C LEU A 133 -20.168 3.623 -0.531 1.00 0.00 C ATOM 2130 O LEU A 133 -20.826 4.602 -0.177 1.00 0.00 O ATOM 2131 CB LEU A 133 -18.582 3.377 -2.449 1.00 0.00 C ATOM 2132 CG LEU A 133 -17.532 4.139 -3.258 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -17.279 3.449 -4.590 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -17.970 5.580 -3.477 1.00 0.00 C ATOM 0 H LEU A 133 -17.115 2.461 -0.672 1.00 0.00 H new ATOM 0 HA LEU A 133 -18.431 4.824 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -18.345 2.314 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -19.550 3.509 -2.932 1.00 0.00 H new ATOM 0 HG LEU A 133 -16.600 4.145 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -16.529 4.006 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -16.920 2.435 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -18.206 3.411 -5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -17.211 6.107 -4.054 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -18.915 5.595 -4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -18.099 6.072 -2.513 1.00 0.00 H new