USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 898 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 25 THR OG1 : rot 160:sc= 0.22 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0.218 USER MOD Set 2.1: A 26 ASN : amide:sc= -0.0503 K(o=-0.51,f=-1.4) USER MOD Set 2.2: A 29 GLN : amide:sc= -0.463 K(o=-0.51,f=-2.9!) USER MOD Single : A 3 MET CE :methyl 164:sc= -0.18 (180deg=-0.998) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 175:sc= 1.28 (180deg=1.17) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -156:sc= 1.18 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot -33:sc= 1.01 USER MOD Single : A 10 HIS : no HE2:sc= -1.99 K(o=-2,f=-4.6!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.609 K(o=-0.61,f=-0.025) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0915) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -81:sc= 1.27 USER MOD Single : A 58 SER OG : rot 170:sc= 0.00838 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.309 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.0475 K(o=-0.048,f=-3.3!) USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= 1.29 (180deg=0.731) USER MOD Single : A 82 THR OG1 : rot -26:sc= 1.04 USER MOD Single : A 88 ASN : amide:sc= 0.449 X(o=0.45,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 157:sc= 0.244 (180deg=0.0865) USER MOD Single : A 100 MET CE :methyl -161:sc= -0.818 (180deg=-1.82!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 40 N MET A 3 12.052 -2.027 -8.006 1.00 0.00 N ATOM 41 CA MET A 3 11.890 -3.149 -7.100 1.00 0.00 C ATOM 42 C MET A 3 10.411 -3.250 -6.698 1.00 0.00 C ATOM 43 O MET A 3 9.707 -2.239 -6.675 1.00 0.00 O ATOM 44 CB MET A 3 12.806 -2.901 -5.883 1.00 0.00 C ATOM 45 CG MET A 3 12.804 -4.070 -4.913 1.00 0.00 C ATOM 46 SD MET A 3 13.228 -5.661 -5.656 1.00 0.00 S ATOM 47 CE MET A 3 14.763 -5.147 -6.469 1.00 0.00 C ATOM 0 HA MET A 3 12.171 -4.095 -7.564 1.00 0.00 H new ATOM 0 HB2 MET A 3 13.824 -2.720 -6.228 1.00 0.00 H new ATOM 0 HB3 MET A 3 12.480 -2.000 -5.363 1.00 0.00 H new ATOM 0 HG2 MET A 3 13.509 -3.860 -4.109 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.816 -4.147 -4.459 1.00 0.00 H new ATOM 0 HE1 MET A 3 15.339 -6.029 -6.750 1.00 0.00 H new ATOM 0 HE2 MET A 3 14.526 -4.569 -7.362 1.00 0.00 H new ATOM 0 HE3 MET A 3 15.349 -4.534 -5.785 1.00 0.00 H new ATOM 57 N LYS A 4 9.923 -4.436 -6.324 1.00 0.00 N ATOM 58 CA LYS A 4 8.605 -4.581 -5.701 1.00 0.00 C ATOM 59 C LYS A 4 8.659 -5.645 -4.620 1.00 0.00 C ATOM 60 O LYS A 4 8.829 -6.818 -4.949 1.00 0.00 O ATOM 61 CB LYS A 4 7.504 -4.863 -6.748 1.00 0.00 C ATOM 62 CG LYS A 4 6.232 -5.497 -6.134 1.00 0.00 C ATOM 63 CD LYS A 4 4.911 -5.065 -6.768 1.00 0.00 C ATOM 64 CE LYS A 4 4.839 -5.415 -8.250 1.00 0.00 C ATOM 65 NZ LYS A 4 3.491 -5.151 -8.786 1.00 0.00 N ATOM 0 H LYS A 4 10.426 -5.316 -6.443 1.00 0.00 H new ATOM 0 HA LYS A 4 8.337 -3.635 -5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.235 -3.930 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.901 -5.529 -7.514 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.314 -6.581 -6.210 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.202 -5.254 -5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.085 -5.544 -6.243 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.786 -3.989 -6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.575 -4.831 -8.802 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.093 -6.465 -8.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.465 -5.396 -9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.794 -5.727 -8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.262 -4.143 -8.669 1.00 0.00 H new ATOM 79 N LYS A 5 8.507 -5.245 -3.358 1.00 0.00 N ATOM 80 CA LYS A 5 8.158 -6.179 -2.290 1.00 0.00 C ATOM 81 C LYS A 5 6.695 -6.020 -1.858 1.00 0.00 C ATOM 82 O LYS A 5 5.976 -5.220 -2.453 1.00 0.00 O ATOM 83 CB LYS A 5 9.168 -6.086 -1.141 1.00 0.00 C ATOM 84 CG LYS A 5 10.464 -6.850 -1.459 1.00 0.00 C ATOM 85 CD LYS A 5 11.448 -6.160 -2.416 1.00 0.00 C ATOM 86 CE LYS A 5 12.920 -6.512 -2.144 1.00 0.00 C ATOM 87 NZ LYS A 5 13.200 -7.958 -2.143 1.00 0.00 N ATOM 0 H LYS A 5 8.620 -4.279 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 5 8.229 -7.198 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.401 -5.039 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.722 -6.488 -0.231 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.982 -7.048 -0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.195 -7.817 -1.885 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.200 -6.437 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.321 -5.080 -2.338 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.543 -6.032 -2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.210 -6.095 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.223 -8.113 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.698 -8.408 -1.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.877 -8.375 -3.039 1.00 0.00 H new ATOM 101 N TYR A 6 6.248 -6.805 -0.875 1.00 0.00 N ATOM 102 CA TYR A 6 4.877 -6.855 -0.356 1.00 0.00 C ATOM 103 C TYR A 6 4.856 -6.914 1.181 1.00 0.00 C ATOM 104 O TYR A 6 5.914 -7.045 1.795 1.00 0.00 O ATOM 105 CB TYR A 6 4.195 -8.109 -0.904 1.00 0.00 C ATOM 106 CG TYR A 6 4.097 -8.245 -2.414 1.00 0.00 C ATOM 107 CD1 TYR A 6 5.211 -8.659 -3.169 1.00 0.00 C ATOM 108 CD2 TYR A 6 2.857 -8.063 -3.053 1.00 0.00 C ATOM 109 CE1 TYR A 6 5.089 -8.871 -4.552 1.00 0.00 C ATOM 110 CE2 TYR A 6 2.711 -8.332 -4.425 1.00 0.00 C ATOM 111 CZ TYR A 6 3.828 -8.750 -5.182 1.00 0.00 C ATOM 112 OH TYR A 6 3.674 -9.067 -6.499 1.00 0.00 O ATOM 0 H TYR A 6 6.865 -7.459 -0.393 1.00 0.00 H new ATOM 0 HA TYR A 6 4.356 -5.951 -0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.729 -8.978 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.185 -8.150 -0.495 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.163 -8.814 -2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.009 -7.713 -2.484 1.00 0.00 H new ATOM 0 HE1 TYR A 6 5.960 -9.127 -5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.747 -8.219 -4.899 1.00 0.00 H new ATOM 0 HH TYR A 6 2.741 -8.925 -6.763 1.00 0.00 H new ATOM 122 N THR A 7 3.678 -6.898 1.823 1.00 0.00 N ATOM 123 CA THR A 7 3.513 -7.019 3.268 1.00 0.00 C ATOM 124 C THR A 7 2.391 -7.992 3.624 1.00 0.00 C ATOM 125 O THR A 7 1.548 -8.367 2.801 1.00 0.00 O ATOM 126 CB THR A 7 3.204 -5.642 3.884 1.00 0.00 C ATOM 127 OG1 THR A 7 2.117 -5.076 3.186 1.00 0.00 O ATOM 128 CG2 THR A 7 4.392 -4.687 3.865 1.00 0.00 C ATOM 0 H THR A 7 2.791 -6.797 1.330 1.00 0.00 H new ATOM 0 HA THR A 7 4.448 -7.406 3.674 1.00 0.00 H new ATOM 0 HB THR A 7 2.962 -5.797 4.935 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.137 -4.101 3.285 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.102 -3.737 4.314 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.216 -5.120 4.432 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.708 -4.520 2.835 1.00 0.00 H new ATOM 136 N LYS A 8 2.382 -8.368 4.904 1.00 0.00 N ATOM 137 CA LYS A 8 1.393 -9.267 5.501 1.00 0.00 C ATOM 138 C LYS A 8 0.039 -8.597 5.647 1.00 0.00 C ATOM 139 O LYS A 8 -0.965 -9.245 5.394 1.00 0.00 O ATOM 140 CB LYS A 8 1.851 -9.823 6.858 1.00 0.00 C ATOM 141 CG LYS A 8 2.990 -10.847 6.714 1.00 0.00 C ATOM 142 CD LYS A 8 4.197 -10.527 7.574 1.00 0.00 C ATOM 143 CE LYS A 8 4.873 -9.271 7.047 1.00 0.00 C ATOM 144 NZ LYS A 8 6.018 -8.872 7.884 1.00 0.00 N ATOM 0 H LYS A 8 3.082 -8.047 5.573 1.00 0.00 H new ATOM 0 HA LYS A 8 1.294 -10.105 4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.182 -9.001 7.492 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.005 -10.292 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.616 -11.836 6.979 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.299 -10.892 5.670 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.891 -10.381 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.897 -11.362 7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.212 -9.442 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.149 -8.457 7.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.452 -8.012 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.691 -8.684 8.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.721 -9.638 7.899 1.00 0.00 H new ATOM 158 N THR A 9 -0.019 -7.293 5.927 1.00 0.00 N ATOM 159 CA THR A 9 -1.237 -6.494 5.781 1.00 0.00 C ATOM 160 C THR A 9 -1.546 -6.288 4.279 1.00 0.00 C ATOM 161 O THR A 9 -1.955 -5.195 3.886 1.00 0.00 O ATOM 162 CB THR A 9 -1.120 -5.193 6.622 1.00 0.00 C ATOM 163 OG1 THR A 9 -2.163 -4.275 6.354 1.00 0.00 O ATOM 164 CG2 THR A 9 0.198 -4.460 6.363 1.00 0.00 C ATOM 0 H THR A 9 0.782 -6.759 6.263 1.00 0.00 H new ATOM 0 HA THR A 9 -2.105 -7.015 6.185 1.00 0.00 H new ATOM 0 HB THR A 9 -1.176 -5.527 7.658 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.425 -4.344 5.412 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.238 -3.556 6.971 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.033 -5.110 6.624 1.00 0.00 H new ATOM 0 HG23 THR A 9 0.263 -4.191 5.309 1.00 0.00 H new ATOM 172 N HIS A 10 -1.403 -7.328 3.441 1.00 0.00 N ATOM 173 CA HIS A 10 -1.852 -7.427 2.055 1.00 0.00 C ATOM 174 C HIS A 10 -1.663 -6.119 1.283 1.00 0.00 C ATOM 175 O HIS A 10 -2.644 -5.515 0.843 1.00 0.00 O ATOM 176 CB HIS A 10 -3.300 -7.968 2.033 1.00 0.00 C ATOM 177 CG HIS A 10 -4.193 -7.344 3.063 1.00 0.00 C ATOM 178 ND1 HIS A 10 -4.532 -6.012 3.090 1.00 0.00 N ATOM 179 CD2 HIS A 10 -4.691 -7.948 4.179 1.00 0.00 C ATOM 180 CE1 HIS A 10 -5.264 -5.815 4.195 1.00 0.00 C ATOM 181 NE2 HIS A 10 -5.381 -6.975 4.870 1.00 0.00 N ATOM 0 H HIS A 10 -0.935 -8.182 3.744 1.00 0.00 H new ATOM 0 HA HIS A 10 -1.223 -8.139 1.520 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.727 -7.798 1.044 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -3.278 -9.046 2.190 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -4.275 -5.307 2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -4.569 -8.982 4.465 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.694 -4.872 4.498 1.00 0.00 H new ATOM 190 N GLU A 11 -0.416 -5.685 1.105 1.00 0.00 N ATOM 191 CA GLU A 11 -0.047 -4.608 0.190 1.00 0.00 C ATOM 192 C GLU A 11 1.076 -5.083 -0.722 1.00 0.00 C ATOM 193 O GLU A 11 1.724 -6.093 -0.445 1.00 0.00 O ATOM 194 CB GLU A 11 0.485 -3.354 0.916 1.00 0.00 C ATOM 195 CG GLU A 11 -0.241 -2.710 2.101 1.00 0.00 C ATOM 196 CD GLU A 11 0.792 -1.925 2.929 1.00 0.00 C ATOM 197 OE1 GLU A 11 1.628 -2.590 3.594 1.00 0.00 O ATOM 198 OE2 GLU A 11 0.816 -0.679 2.826 1.00 0.00 O ATOM 0 H GLU A 11 0.381 -6.081 1.603 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.955 -4.349 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.489 -3.599 1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.590 -2.578 0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.029 -2.045 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.719 -3.474 2.715 1.00 0.00 H new ATOM 205 N TRP A 12 1.350 -4.280 -1.747 1.00 0.00 N ATOM 206 CA TRP A 12 2.571 -4.261 -2.538 1.00 0.00 C ATOM 207 C TRP A 12 3.314 -2.941 -2.298 1.00 0.00 C ATOM 208 O TRP A 12 2.807 -2.026 -1.642 1.00 0.00 O ATOM 209 CB TRP A 12 2.226 -4.455 -4.021 1.00 0.00 C ATOM 210 CG TRP A 12 1.116 -3.602 -4.556 1.00 0.00 C ATOM 211 CD1 TRP A 12 -0.195 -3.899 -4.430 1.00 0.00 C ATOM 212 CD2 TRP A 12 1.164 -2.351 -5.318 1.00 0.00 C ATOM 213 NE1 TRP A 12 -0.948 -2.927 -5.024 1.00 0.00 N ATOM 214 CE2 TRP A 12 -0.174 -1.990 -5.652 1.00 0.00 C ATOM 215 CE3 TRP A 12 2.181 -1.502 -5.804 1.00 0.00 C ATOM 216 CZ2 TRP A 12 -0.494 -0.911 -6.482 1.00 0.00 C ATOM 217 CZ3 TRP A 12 1.866 -0.385 -6.605 1.00 0.00 C ATOM 218 CH2 TRP A 12 0.539 -0.097 -6.960 1.00 0.00 C ATOM 0 H TRP A 12 0.679 -3.581 -2.065 1.00 0.00 H new ATOM 0 HA TRP A 12 3.227 -5.078 -2.237 1.00 0.00 H new ATOM 0 HB2 TRP A 12 3.122 -4.261 -4.610 1.00 0.00 H new ATOM 0 HB3 TRP A 12 1.961 -5.501 -4.178 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -0.589 -4.774 -3.934 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -1.967 -2.902 -5.002 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.212 -1.710 -5.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.521 -0.709 -6.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 2.660 0.260 -6.951 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.317 0.746 -7.597 1.00 0.00 H new ATOM 229 N VAL A 13 4.528 -2.850 -2.833 1.00 0.00 N ATOM 230 CA VAL A 13 5.403 -1.690 -2.862 1.00 0.00 C ATOM 231 C VAL A 13 5.971 -1.648 -4.285 1.00 0.00 C ATOM 232 O VAL A 13 6.254 -2.702 -4.840 1.00 0.00 O ATOM 233 CB VAL A 13 6.558 -1.841 -1.833 1.00 0.00 C ATOM 234 CG1 VAL A 13 7.082 -0.446 -1.516 1.00 0.00 C ATOM 235 CG2 VAL A 13 6.164 -2.474 -0.501 1.00 0.00 C ATOM 0 H VAL A 13 4.957 -3.653 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 13 4.865 -0.778 -2.603 1.00 0.00 H new ATOM 0 HB VAL A 13 7.287 -2.505 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 13 7.896 -0.518 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 13 7.448 0.022 -2.430 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.278 0.158 -1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.039 -2.535 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.399 -1.864 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.772 -3.476 -0.676 1.00 0.00 H new ATOM 245 N SER A 14 6.161 -0.473 -4.882 1.00 0.00 N ATOM 246 CA SER A 14 6.638 -0.329 -6.252 1.00 0.00 C ATOM 247 C SER A 14 7.662 0.780 -6.353 1.00 0.00 C ATOM 248 O SER A 14 7.371 1.908 -6.745 1.00 0.00 O ATOM 249 CB SER A 14 5.461 -0.063 -7.181 1.00 0.00 C ATOM 250 OG SER A 14 5.196 -1.208 -7.969 1.00 0.00 O ATOM 0 H SER A 14 5.985 0.418 -4.419 1.00 0.00 H new ATOM 0 HA SER A 14 7.124 -1.257 -6.554 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.579 0.199 -6.597 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.681 0.788 -7.825 1.00 0.00 H new ATOM 0 HG SER A 14 4.437 -1.028 -8.562 1.00 0.00 H new ATOM 256 N ILE A 15 8.879 0.433 -5.966 1.00 0.00 N ATOM 257 CA ILE A 15 10.074 1.221 -6.174 1.00 0.00 C ATOM 258 C ILE A 15 10.251 1.338 -7.686 1.00 0.00 C ATOM 259 O ILE A 15 10.071 0.364 -8.425 1.00 0.00 O ATOM 260 CB ILE A 15 11.242 0.477 -5.488 1.00 0.00 C ATOM 261 CG1 ILE A 15 11.059 0.456 -3.952 1.00 0.00 C ATOM 262 CG2 ILE A 15 12.669 0.917 -5.879 1.00 0.00 C ATOM 263 CD1 ILE A 15 10.315 -0.772 -3.401 1.00 0.00 C ATOM 0 H ILE A 15 9.064 -0.443 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 15 10.026 2.224 -5.749 1.00 0.00 H new ATOM 0 HB ILE A 15 11.174 -0.536 -5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.042 0.506 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.517 1.354 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.397 0.320 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.814 0.772 -6.950 1.00 0.00 H new ATOM 0 HG23 ILE A 15 12.805 1.970 -5.634 1.00 0.00 H new ATOM 0 HD11 ILE A 15 10.237 -0.694 -2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.316 -0.817 -3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.864 -1.677 -3.661 1.00 0.00 H new ATOM 275 N GLU A 16 10.652 2.520 -8.134 1.00 0.00 N ATOM 276 CA GLU A 16 11.267 2.730 -9.434 1.00 0.00 C ATOM 277 C GLU A 16 12.669 3.244 -9.140 1.00 0.00 C ATOM 278 O GLU A 16 13.636 2.492 -9.236 1.00 0.00 O ATOM 279 CB GLU A 16 10.420 3.678 -10.303 1.00 0.00 C ATOM 280 CG GLU A 16 11.099 3.949 -11.656 1.00 0.00 C ATOM 281 CD GLU A 16 11.293 2.659 -12.452 1.00 0.00 C ATOM 282 OE1 GLU A 16 10.287 2.065 -12.900 1.00 0.00 O ATOM 283 OE2 GLU A 16 12.451 2.193 -12.603 1.00 0.00 O ATOM 0 H GLU A 16 10.556 3.378 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 16 11.326 1.816 -10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.435 3.241 -10.469 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.266 4.619 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.494 4.648 -12.234 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.066 4.425 -11.491 1.00 0.00 H new ATOM 290 N ASP A 17 12.733 4.497 -8.699 1.00 0.00 N ATOM 291 CA ASP A 17 13.930 5.185 -8.247 1.00 0.00 C ATOM 292 C ASP A 17 13.728 5.381 -6.743 1.00 0.00 C ATOM 293 O ASP A 17 13.872 4.442 -5.964 1.00 0.00 O ATOM 294 CB ASP A 17 14.107 6.490 -9.059 1.00 0.00 C ATOM 295 CG ASP A 17 15.087 6.334 -10.217 1.00 0.00 C ATOM 296 OD1 ASP A 17 14.842 5.513 -11.126 1.00 0.00 O ATOM 297 OD2 ASP A 17 16.154 6.996 -10.212 1.00 0.00 O ATOM 0 H ASP A 17 11.904 5.089 -8.646 1.00 0.00 H new ATOM 0 HA ASP A 17 14.858 4.636 -8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.139 6.805 -9.448 1.00 0.00 H new ATOM 0 HB3 ASP A 17 14.457 7.281 -8.396 1.00 0.00 H new ATOM 302 N LYS A 18 13.217 6.540 -6.332 1.00 0.00 N ATOM 303 CA LYS A 18 12.987 6.987 -4.967 1.00 0.00 C ATOM 304 C LYS A 18 11.525 7.357 -4.757 1.00 0.00 C ATOM 305 O LYS A 18 11.226 8.271 -3.998 1.00 0.00 O ATOM 306 CB LYS A 18 13.938 8.151 -4.655 1.00 0.00 C ATOM 307 CG LYS A 18 13.901 9.293 -5.695 1.00 0.00 C ATOM 308 CD LYS A 18 15.111 10.217 -5.588 1.00 0.00 C ATOM 309 CE LYS A 18 15.060 11.274 -6.697 1.00 0.00 C ATOM 310 NZ LYS A 18 16.209 12.198 -6.656 1.00 0.00 N ATOM 0 H LYS A 18 12.930 7.249 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 18 13.200 6.177 -4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.687 8.558 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.956 7.767 -4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.860 8.867 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 18 12.990 9.875 -5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.124 10.702 -4.612 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.031 9.637 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.034 10.777 -7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.136 11.845 -6.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 16.125 12.891 -7.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.222 12.695 -5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.092 11.660 -6.770 1.00 0.00 H new ATOM 324 N VAL A 19 10.605 6.672 -5.425 1.00 0.00 N ATOM 325 CA VAL A 19 9.205 6.704 -5.064 1.00 0.00 C ATOM 326 C VAL A 19 8.720 5.265 -5.163 1.00 0.00 C ATOM 327 O VAL A 19 8.789 4.662 -6.236 1.00 0.00 O ATOM 328 CB VAL A 19 8.407 7.679 -5.955 1.00 0.00 C ATOM 329 CG1 VAL A 19 6.929 7.605 -5.583 1.00 0.00 C ATOM 330 CG2 VAL A 19 8.818 9.144 -5.764 1.00 0.00 C ATOM 0 H VAL A 19 10.814 6.082 -6.230 1.00 0.00 H new ATOM 0 HA VAL A 19 9.055 7.084 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 19 8.607 7.380 -6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.361 8.292 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.566 6.589 -5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.803 7.881 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.220 9.778 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.653 9.436 -4.727 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.873 9.261 -6.011 1.00 0.00 H new ATOM 340 N ALA A 20 8.250 4.732 -4.037 1.00 0.00 N ATOM 341 CA ALA A 20 7.644 3.427 -3.907 1.00 0.00 C ATOM 342 C ALA A 20 6.134 3.625 -3.833 1.00 0.00 C ATOM 343 O ALA A 20 5.609 4.126 -2.837 1.00 0.00 O ATOM 344 CB ALA A 20 8.237 2.696 -2.698 1.00 0.00 C ATOM 0 H ALA A 20 8.288 5.233 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 20 7.855 2.789 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.776 1.713 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.312 2.581 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.045 3.273 -1.794 1.00 0.00 H new ATOM 350 N THR A 21 5.442 3.275 -4.908 1.00 0.00 N ATOM 351 CA THR A 21 3.989 3.251 -4.963 1.00 0.00 C ATOM 352 C THR A 21 3.473 2.098 -4.099 1.00 0.00 C ATOM 353 O THR A 21 3.912 0.962 -4.250 1.00 0.00 O ATOM 354 CB THR A 21 3.549 3.126 -6.434 1.00 0.00 C ATOM 355 OG1 THR A 21 4.233 4.066 -7.245 1.00 0.00 O ATOM 356 CG2 THR A 21 2.043 3.327 -6.593 1.00 0.00 C ATOM 0 H THR A 21 5.885 2.994 -5.783 1.00 0.00 H new ATOM 0 HA THR A 21 3.565 4.173 -4.566 1.00 0.00 H new ATOM 0 HB THR A 21 3.800 2.115 -6.756 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.941 3.969 -8.175 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.772 3.231 -7.644 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.512 2.573 -6.011 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.769 4.320 -6.237 1.00 0.00 H new ATOM 364 N VAL A 22 2.572 2.382 -3.168 1.00 0.00 N ATOM 365 CA VAL A 22 1.779 1.467 -2.368 1.00 0.00 C ATOM 366 C VAL A 22 0.410 1.213 -2.960 1.00 0.00 C ATOM 367 O VAL A 22 -0.167 2.146 -3.489 1.00 0.00 O ATOM 368 CB VAL A 22 1.747 1.976 -0.908 1.00 0.00 C ATOM 369 CG1 VAL A 22 2.480 3.273 -0.579 1.00 0.00 C ATOM 370 CG2 VAL A 22 0.380 2.003 -0.225 1.00 0.00 C ATOM 0 H VAL A 22 2.360 3.352 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 22 2.250 0.484 -2.370 1.00 0.00 H new ATOM 0 HB VAL A 22 2.339 1.165 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.365 3.497 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.539 3.162 -0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.060 4.088 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.489 2.378 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.292 2.655 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.033 0.995 -0.198 1.00 0.00 H new ATOM 380 N GLY A 23 -0.152 0.024 -2.766 1.00 0.00 N ATOM 381 CA GLY A 23 -1.580 -0.254 -2.843 1.00 0.00 C ATOM 382 C GLY A 23 -1.856 -1.547 -2.070 1.00 0.00 C ATOM 383 O GLY A 23 -0.922 -2.313 -1.812 1.00 0.00 O ATOM 0 H GLY A 23 0.398 -0.805 -2.542 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.152 0.572 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.892 -0.358 -3.882 1.00 0.00 H new ATOM 387 N ILE A 24 -3.105 -1.811 -1.677 1.00 0.00 N ATOM 388 CA ILE A 24 -3.457 -3.092 -1.053 1.00 0.00 C ATOM 389 C ILE A 24 -3.735 -4.116 -2.161 1.00 0.00 C ATOM 390 O ILE A 24 -4.316 -3.772 -3.182 1.00 0.00 O ATOM 391 CB ILE A 24 -4.606 -2.992 -0.027 1.00 0.00 C ATOM 392 CG1 ILE A 24 -5.815 -2.136 -0.452 1.00 0.00 C ATOM 393 CG2 ILE A 24 -4.084 -2.545 1.349 1.00 0.00 C ATOM 394 CD1 ILE A 24 -7.138 -2.581 0.202 1.00 0.00 C ATOM 0 H ILE A 24 -3.885 -1.161 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.609 -3.426 -0.456 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.995 -4.008 0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.623 -1.095 -0.194 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.920 -2.182 -1.536 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.915 -2.483 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.354 -3.268 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.612 -1.567 1.259 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.948 -1.937 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.353 -3.613 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.050 -2.509 1.286 1.00 0.00 H new ATOM 406 N THR A 25 -3.284 -5.361 -2.000 1.00 0.00 N ATOM 407 CA THR A 25 -3.421 -6.406 -3.016 1.00 0.00 C ATOM 408 C THR A 25 -4.870 -6.912 -3.111 1.00 0.00 C ATOM 409 O THR A 25 -5.724 -6.570 -2.291 1.00 0.00 O ATOM 410 CB THR A 25 -2.434 -7.554 -2.726 1.00 0.00 C ATOM 411 OG1 THR A 25 -2.546 -8.049 -1.405 1.00 0.00 O ATOM 412 CG2 THR A 25 -0.980 -7.125 -2.921 1.00 0.00 C ATOM 0 H THR A 25 -2.809 -5.675 -1.154 1.00 0.00 H new ATOM 0 HA THR A 25 -3.174 -5.979 -3.988 1.00 0.00 H new ATOM 0 HB THR A 25 -2.702 -8.334 -3.439 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.152 -8.945 -1.357 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.321 -7.966 -2.706 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.831 -6.802 -3.951 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.750 -6.301 -2.245 1.00 0.00 H new ATOM 420 N ASN A 26 -5.173 -7.764 -4.093 1.00 0.00 N ATOM 421 CA ASN A 26 -6.511 -8.341 -4.258 1.00 0.00 C ATOM 422 C ASN A 26 -6.981 -9.147 -3.032 1.00 0.00 C ATOM 423 O ASN A 26 -8.155 -9.086 -2.659 1.00 0.00 O ATOM 424 CB ASN A 26 -6.555 -9.181 -5.537 1.00 0.00 C ATOM 425 CG ASN A 26 -7.868 -9.949 -5.612 1.00 0.00 C ATOM 426 OD1 ASN A 26 -8.903 -9.343 -5.837 1.00 0.00 O ATOM 427 ND2 ASN A 26 -7.883 -11.253 -5.391 1.00 0.00 N ATOM 0 H ASN A 26 -4.501 -8.073 -4.795 1.00 0.00 H new ATOM 0 HA ASN A 26 -7.216 -7.514 -4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.452 -8.536 -6.409 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.716 -9.877 -5.554 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.766 -11.763 -5.408 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.011 -11.749 -5.204 1.00 0.00 H new ATOM 434 N HIS A 27 -6.062 -9.819 -2.333 1.00 0.00 N ATOM 435 CA HIS A 27 -6.311 -10.503 -1.059 1.00 0.00 C ATOM 436 C HIS A 27 -6.933 -9.557 -0.021 1.00 0.00 C ATOM 437 O HIS A 27 -7.597 -10.014 0.910 1.00 0.00 O ATOM 438 CB HIS A 27 -4.987 -11.105 -0.542 1.00 0.00 C ATOM 439 CG HIS A 27 -5.125 -12.023 0.654 1.00 0.00 C ATOM 440 ND1 HIS A 27 -4.955 -13.398 0.645 1.00 0.00 N ATOM 441 CD2 HIS A 27 -5.431 -11.650 1.936 1.00 0.00 C ATOM 442 CE1 HIS A 27 -5.168 -13.844 1.899 1.00 0.00 C ATOM 443 NE2 HIS A 27 -5.480 -12.800 2.693 1.00 0.00 N ATOM 0 H HIS A 27 -5.095 -9.905 -2.646 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.032 -11.304 -1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.516 -11.659 -1.354 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -4.313 -10.290 -0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -5.602 -10.643 2.287 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.100 -14.874 2.217 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.713 -12.853 3.685 1.00 0.00 H new ATOM 452 N ALA A 28 -6.728 -8.246 -0.155 1.00 0.00 N ATOM 453 CA ALA A 28 -7.288 -7.239 0.723 1.00 0.00 C ATOM 454 C ALA A 28 -8.720 -6.879 0.345 1.00 0.00 C ATOM 455 O ALA A 28 -9.568 -6.826 1.234 1.00 0.00 O ATOM 456 CB ALA A 28 -6.442 -5.989 0.614 1.00 0.00 C ATOM 0 H ALA A 28 -6.152 -7.853 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.295 -7.641 1.736 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.847 -5.217 1.268 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -5.418 -6.216 0.911 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.450 -5.633 -0.416 1.00 0.00 H new ATOM 462 N GLN A 29 -9.006 -6.597 -0.938 1.00 0.00 N ATOM 463 CA GLN A 29 -10.376 -6.252 -1.322 1.00 0.00 C ATOM 464 C GLN A 29 -11.321 -7.432 -1.044 1.00 0.00 C ATOM 465 O GLN A 29 -12.501 -7.223 -0.809 1.00 0.00 O ATOM 466 CB GLN A 29 -10.415 -5.668 -2.747 1.00 0.00 C ATOM 467 CG GLN A 29 -10.029 -6.584 -3.906 1.00 0.00 C ATOM 468 CD GLN A 29 -11.127 -7.566 -4.266 1.00 0.00 C ATOM 469 OE1 GLN A 29 -12.136 -7.217 -4.867 1.00 0.00 O ATOM 470 NE2 GLN A 29 -10.952 -8.808 -3.878 1.00 0.00 N ATOM 0 H GLN A 29 -8.329 -6.601 -1.701 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.759 -5.444 -0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -11.426 -5.303 -2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.754 -4.801 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.789 -5.977 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.126 -7.135 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.102 -9.072 -3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.666 -9.509 -4.075 1.00 0.00 H new ATOM 479 N GLU A 30 -10.786 -8.649 -0.918 1.00 0.00 N ATOM 480 CA GLU A 30 -11.476 -9.861 -0.520 1.00 0.00 C ATOM 481 C GLU A 30 -12.133 -9.750 0.870 1.00 0.00 C ATOM 482 O GLU A 30 -13.102 -10.462 1.135 1.00 0.00 O ATOM 483 CB GLU A 30 -10.422 -10.964 -0.530 1.00 0.00 C ATOM 484 CG GLU A 30 -10.359 -11.750 -1.832 1.00 0.00 C ATOM 485 CD GLU A 30 -11.522 -12.705 -2.038 1.00 0.00 C ATOM 486 OE1 GLU A 30 -11.724 -13.620 -1.206 1.00 0.00 O ATOM 487 OE2 GLU A 30 -12.151 -12.628 -3.116 1.00 0.00 O ATOM 0 H GLU A 30 -9.797 -8.816 -1.105 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.296 -10.066 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.445 -10.520 -0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.625 -11.654 0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.327 -11.049 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.429 -12.317 -1.857 1.00 0.00 H new ATOM 494 N GLN A 31 -11.635 -8.901 1.787 1.00 0.00 N ATOM 495 CA GLN A 31 -12.307 -8.664 3.061 1.00 0.00 C ATOM 496 C GLN A 31 -13.311 -7.515 3.012 1.00 0.00 C ATOM 497 O GLN A 31 -14.372 -7.588 3.637 1.00 0.00 O ATOM 498 CB GLN A 31 -11.375 -8.580 4.260 1.00 0.00 C ATOM 499 CG GLN A 31 -10.077 -7.861 4.036 1.00 0.00 C ATOM 500 CD GLN A 31 -9.258 -7.807 5.329 1.00 0.00 C ATOM 501 OE1 GLN A 31 -8.652 -8.788 5.753 1.00 0.00 O ATOM 502 NE2 GLN A 31 -9.224 -6.678 6.014 1.00 0.00 N ATOM 0 H GLN A 31 -10.771 -8.373 1.663 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.890 -9.570 3.225 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.906 -8.085 5.073 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.153 -9.594 4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.505 -8.367 3.258 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.273 -6.849 3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.724 -5.858 5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.698 -6.626 6.886 1.00 0.00 H new ATOM 511 N LEU A 32 -12.945 -6.418 2.349 1.00 0.00 N ATOM 512 CA LEU A 32 -13.726 -5.180 2.404 1.00 0.00 C ATOM 513 C LEU A 32 -14.811 -5.095 1.331 1.00 0.00 C ATOM 514 O LEU A 32 -15.855 -4.510 1.601 1.00 0.00 O ATOM 515 CB LEU A 32 -12.813 -3.947 2.307 1.00 0.00 C ATOM 516 CG LEU A 32 -11.889 -3.668 3.514 1.00 0.00 C ATOM 517 CD1 LEU A 32 -11.602 -2.166 3.613 1.00 0.00 C ATOM 518 CD2 LEU A 32 -12.444 -4.124 4.867 1.00 0.00 C ATOM 0 H LEU A 32 -12.110 -6.361 1.766 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.229 -5.195 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.189 -4.055 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -13.441 -3.070 2.150 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.989 -4.252 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.950 -1.976 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.113 -1.828 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.539 -1.624 3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.727 -3.887 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.384 -3.610 5.066 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.616 -5.200 4.846 1.00 0.00 H new ATOM 530 N GLY A 33 -14.571 -5.665 0.152 1.00 0.00 N ATOM 531 CA GLY A 33 -15.427 -5.591 -1.018 1.00 0.00 C ATOM 532 C GLY A 33 -15.797 -4.152 -1.352 1.00 0.00 C ATOM 533 O GLY A 33 -14.918 -3.333 -1.645 1.00 0.00 O ATOM 0 H GLY A 33 -13.730 -6.218 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.920 -6.044 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.334 -6.169 -0.843 1.00 0.00 H new ATOM 537 N ASP A 34 -17.097 -3.870 -1.312 1.00 0.00 N ATOM 538 CA ASP A 34 -17.712 -2.598 -1.661 1.00 0.00 C ATOM 539 C ASP A 34 -17.205 -1.546 -0.672 1.00 0.00 C ATOM 540 O ASP A 34 -17.501 -1.620 0.525 1.00 0.00 O ATOM 541 CB ASP A 34 -19.251 -2.683 -1.593 1.00 0.00 C ATOM 542 CG ASP A 34 -19.898 -3.779 -2.445 1.00 0.00 C ATOM 543 OD1 ASP A 34 -19.505 -3.992 -3.619 1.00 0.00 O ATOM 544 OD2 ASP A 34 -20.772 -4.492 -1.905 1.00 0.00 O ATOM 0 H ASP A 34 -17.785 -4.563 -1.019 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.444 -2.332 -2.684 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.542 -2.838 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -19.663 -1.721 -1.899 1.00 0.00 H new ATOM 549 N VAL A 35 -16.418 -0.575 -1.136 1.00 0.00 N ATOM 550 CA VAL A 35 -15.896 0.477 -0.274 1.00 0.00 C ATOM 551 C VAL A 35 -16.765 1.737 -0.404 1.00 0.00 C ATOM 552 O VAL A 35 -17.916 1.696 -0.849 1.00 0.00 O ATOM 553 CB VAL A 35 -14.387 0.737 -0.491 1.00 0.00 C ATOM 554 CG1 VAL A 35 -13.748 1.205 0.835 1.00 0.00 C ATOM 555 CG2 VAL A 35 -13.541 -0.453 -0.947 1.00 0.00 C ATOM 0 H VAL A 35 -16.129 -0.498 -2.111 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.961 0.140 0.760 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.377 1.474 -1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.684 1.388 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.230 2.124 1.167 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.878 0.433 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.504 -0.139 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.599 -1.247 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.917 -0.822 -1.901 1.00 0.00 H new ATOM 565 N VAL A 36 -16.229 2.849 0.089 1.00 0.00 N ATOM 566 CA VAL A 36 -16.839 4.142 0.328 1.00 0.00 C ATOM 567 C VAL A 36 -15.765 5.145 0.739 1.00 0.00 C ATOM 568 O VAL A 36 -15.910 6.321 0.421 1.00 0.00 O ATOM 569 CB VAL A 36 -17.880 4.086 1.470 1.00 0.00 C ATOM 570 CG1 VAL A 36 -19.296 3.986 0.913 1.00 0.00 C ATOM 571 CG2 VAL A 36 -17.664 2.940 2.473 1.00 0.00 C ATOM 0 H VAL A 36 -15.246 2.861 0.359 1.00 0.00 H new ATOM 0 HA VAL A 36 -17.334 4.439 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.741 5.020 2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -20.009 3.948 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -19.505 4.857 0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -19.387 3.081 0.312 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.438 2.976 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.715 1.985 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.685 3.046 2.941 1.00 0.00 H new ATOM 581 N TYR A 37 -14.694 4.722 1.426 1.00 0.00 N ATOM 582 CA TYR A 37 -13.703 5.683 1.880 1.00 0.00 C ATOM 583 C TYR A 37 -12.321 5.058 1.954 1.00 0.00 C ATOM 584 O TYR A 37 -12.177 3.876 2.261 1.00 0.00 O ATOM 585 CB TYR A 37 -14.120 6.252 3.245 1.00 0.00 C ATOM 586 CG TYR A 37 -13.178 7.335 3.723 1.00 0.00 C ATOM 587 CD1 TYR A 37 -12.952 8.465 2.912 1.00 0.00 C ATOM 588 CD2 TYR A 37 -12.469 7.181 4.928 1.00 0.00 C ATOM 589 CE1 TYR A 37 -12.007 9.428 3.293 1.00 0.00 C ATOM 590 CE2 TYR A 37 -11.533 8.153 5.321 1.00 0.00 C ATOM 591 CZ TYR A 37 -11.292 9.275 4.501 1.00 0.00 C ATOM 592 OH TYR A 37 -10.371 10.201 4.872 1.00 0.00 O ATOM 0 H TYR A 37 -14.503 3.750 1.669 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.653 6.497 1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.130 6.656 3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.148 5.447 3.979 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.508 8.590 1.995 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.644 6.316 5.551 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.826 10.286 2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.998 8.041 6.252 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.974 9.942 5.729 1.00 0.00 H new ATOM 602 N VAL A 38 -11.311 5.879 1.689 1.00 0.00 N ATOM 603 CA VAL A 38 -9.896 5.599 1.787 1.00 0.00 C ATOM 604 C VAL A 38 -9.305 6.853 2.389 1.00 0.00 C ATOM 605 O VAL A 38 -9.379 7.947 1.818 1.00 0.00 O ATOM 606 CB VAL A 38 -9.324 5.237 0.397 1.00 0.00 C ATOM 607 CG1 VAL A 38 -7.793 5.327 0.337 1.00 0.00 C ATOM 608 CG2 VAL A 38 -9.735 3.859 -0.135 1.00 0.00 C ATOM 0 H VAL A 38 -11.483 6.834 1.375 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.658 4.736 2.409 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.774 5.995 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.452 5.061 -0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.479 6.345 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.359 4.639 1.063 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.284 3.698 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.393 3.086 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.820 3.812 -0.223 1.00 0.00 H new ATOM 618 N ASP A 39 -8.763 6.675 3.585 1.00 0.00 N ATOM 619 CA ASP A 39 -7.898 7.652 4.180 1.00 0.00 C ATOM 620 C ASP A 39 -6.656 7.783 3.298 1.00 0.00 C ATOM 621 O ASP A 39 -6.160 6.798 2.742 1.00 0.00 O ATOM 622 CB ASP A 39 -7.551 7.287 5.633 1.00 0.00 C ATOM 623 CG ASP A 39 -6.426 8.161 6.196 1.00 0.00 C ATOM 624 OD1 ASP A 39 -6.455 9.396 5.989 1.00 0.00 O ATOM 625 OD2 ASP A 39 -5.500 7.587 6.816 1.00 0.00 O ATOM 0 H ASP A 39 -8.917 5.847 4.160 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.402 8.617 4.234 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.439 7.396 6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.254 6.239 5.682 1.00 0.00 H new ATOM 630 N LEU A 40 -6.175 9.009 3.134 1.00 0.00 N ATOM 631 CA LEU A 40 -4.993 9.352 2.377 1.00 0.00 C ATOM 632 C LEU A 40 -4.171 10.329 3.221 1.00 0.00 C ATOM 633 O LEU A 40 -4.733 11.261 3.813 1.00 0.00 O ATOM 634 CB LEU A 40 -5.351 10.009 1.042 1.00 0.00 C ATOM 635 CG LEU A 40 -6.111 9.121 0.041 1.00 0.00 C ATOM 636 CD1 LEU A 40 -6.597 9.988 -1.123 1.00 0.00 C ATOM 637 CD2 LEU A 40 -5.222 7.995 -0.508 1.00 0.00 C ATOM 0 H LEU A 40 -6.625 9.825 3.548 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.431 8.445 2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.954 10.894 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.431 10.352 0.569 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.952 8.664 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.137 9.367 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.260 10.766 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.741 10.448 -1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.794 7.390 -1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.361 8.427 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.879 7.368 0.315 1.00 0.00 H new ATOM 649 N PRO A 41 -2.849 10.144 3.269 1.00 0.00 N ATOM 650 CA PRO A 41 -1.951 10.977 4.045 1.00 0.00 C ATOM 651 C PRO A 41 -1.659 12.322 3.367 1.00 0.00 C ATOM 652 O PRO A 41 -2.385 12.781 2.484 1.00 0.00 O ATOM 653 CB PRO A 41 -0.721 10.102 4.249 1.00 0.00 C ATOM 654 CG PRO A 41 -0.690 9.133 3.069 1.00 0.00 C ATOM 655 CD PRO A 41 -2.135 9.072 2.596 1.00 0.00 C ATOM 0 HA PRO A 41 -2.379 11.285 4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.186 10.706 4.281 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.779 9.563 5.195 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.028 9.488 2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.328 8.150 3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.192 9.191 1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.578 8.105 2.834 1.00 0.00 H new ATOM 663 N GLU A 42 -0.606 12.999 3.823 1.00 0.00 N ATOM 664 CA GLU A 42 -0.198 14.321 3.396 1.00 0.00 C ATOM 665 C GLU A 42 1.139 14.200 2.680 1.00 0.00 C ATOM 666 O GLU A 42 1.980 13.398 3.086 1.00 0.00 O ATOM 667 CB GLU A 42 -0.038 15.165 4.655 1.00 0.00 C ATOM 668 CG GLU A 42 0.121 16.650 4.342 1.00 0.00 C ATOM 669 CD GLU A 42 -0.964 17.447 5.055 1.00 0.00 C ATOM 670 OE1 GLU A 42 -1.015 17.403 6.309 1.00 0.00 O ATOM 671 OE2 GLU A 42 -1.767 18.120 4.382 1.00 0.00 O ATOM 0 H GLU A 42 0.012 12.613 4.537 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.925 14.775 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.907 15.023 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.832 14.819 5.213 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.105 16.994 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.057 16.813 3.266 1.00 0.00 H new ATOM 678 N VAL A 43 1.374 15.016 1.656 1.00 0.00 N ATOM 679 CA VAL A 43 2.446 14.857 0.669 1.00 0.00 C ATOM 680 C VAL A 43 3.875 15.137 1.189 1.00 0.00 C ATOM 681 O VAL A 43 4.812 15.382 0.426 1.00 0.00 O ATOM 682 CB VAL A 43 2.030 15.696 -0.564 1.00 0.00 C ATOM 683 CG1 VAL A 43 2.613 17.108 -0.555 1.00 0.00 C ATOM 684 CG2 VAL A 43 2.421 15.014 -1.864 1.00 0.00 C ATOM 0 H VAL A 43 0.801 15.841 1.481 1.00 0.00 H new ATOM 0 HA VAL A 43 2.542 13.805 0.399 1.00 0.00 H new ATOM 0 HB VAL A 43 0.945 15.776 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.284 17.643 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.270 17.637 0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.702 17.052 -0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.113 15.633 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.502 14.876 -1.892 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.929 14.043 -1.928 1.00 0.00 H new ATOM 694 N GLY A 44 4.056 15.151 2.497 1.00 0.00 N ATOM 695 CA GLY A 44 5.323 15.337 3.179 1.00 0.00 C ATOM 696 C GLY A 44 5.347 14.692 4.561 1.00 0.00 C ATOM 697 O GLY A 44 6.227 15.031 5.350 1.00 0.00 O ATOM 0 H GLY A 44 3.280 15.026 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.124 14.915 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.525 16.404 3.277 1.00 0.00 H new ATOM 701 N ARG A 45 4.388 13.818 4.899 1.00 0.00 N ATOM 702 CA ARG A 45 4.361 13.194 6.227 1.00 0.00 C ATOM 703 C ARG A 45 5.369 12.048 6.272 1.00 0.00 C ATOM 704 O ARG A 45 5.436 11.269 5.322 1.00 0.00 O ATOM 705 CB ARG A 45 2.953 12.669 6.525 1.00 0.00 C ATOM 706 CG ARG A 45 2.725 12.447 8.029 1.00 0.00 C ATOM 707 CD ARG A 45 1.388 11.736 8.235 1.00 0.00 C ATOM 708 NE ARG A 45 1.006 11.612 9.645 1.00 0.00 N ATOM 709 CZ ARG A 45 0.029 12.255 10.292 1.00 0.00 C ATOM 710 NH1 ARG A 45 -0.617 13.306 9.788 1.00 0.00 N ATOM 711 NH2 ARG A 45 -0.287 11.818 11.499 1.00 0.00 N ATOM 0 H ARG A 45 3.631 13.531 4.279 1.00 0.00 H new ATOM 0 HA ARG A 45 4.627 13.934 6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.215 13.377 6.148 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.796 11.731 5.993 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.536 11.851 8.448 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.727 13.402 8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.609 12.281 7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.442 10.742 7.792 1.00 0.00 H new ATOM 0 HE ARG A 45 1.553 10.954 10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.373 13.659 8.862 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.355 13.758 10.328 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.209 11.021 11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.026 12.278 12.030 1.00 0.00 H new ATOM 725 N GLU A 46 6.135 11.905 7.350 1.00 0.00 N ATOM 726 CA GLU A 46 6.988 10.734 7.530 1.00 0.00 C ATOM 727 C GLU A 46 6.145 9.541 7.969 1.00 0.00 C ATOM 728 O GLU A 46 5.072 9.706 8.558 1.00 0.00 O ATOM 729 CB GLU A 46 8.111 11.031 8.527 1.00 0.00 C ATOM 730 CG GLU A 46 9.291 11.675 7.787 1.00 0.00 C ATOM 731 CD GLU A 46 10.492 12.019 8.671 1.00 0.00 C ATOM 732 OE1 GLU A 46 10.391 11.906 9.922 1.00 0.00 O ATOM 733 OE2 GLU A 46 11.505 12.483 8.107 1.00 0.00 O ATOM 0 H GLU A 46 6.183 12.583 8.110 1.00 0.00 H new ATOM 0 HA GLU A 46 7.458 10.484 6.579 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.750 11.698 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.432 10.111 9.015 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.620 10.998 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.943 12.586 7.300 1.00 0.00 H new ATOM 740 N VAL A 47 6.631 8.334 7.675 1.00 0.00 N ATOM 741 CA VAL A 47 5.973 7.080 8.000 1.00 0.00 C ATOM 742 C VAL A 47 6.996 6.039 8.456 1.00 0.00 C ATOM 743 O VAL A 47 8.207 6.168 8.222 1.00 0.00 O ATOM 744 CB VAL A 47 5.135 6.584 6.800 1.00 0.00 C ATOM 745 CG1 VAL A 47 4.032 7.595 6.475 1.00 0.00 C ATOM 746 CG2 VAL A 47 5.943 6.314 5.520 1.00 0.00 C ATOM 0 H VAL A 47 7.519 8.205 7.190 1.00 0.00 H new ATOM 0 HA VAL A 47 5.287 7.244 8.831 1.00 0.00 H new ATOM 0 HB VAL A 47 4.722 5.627 7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.447 7.236 5.628 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.381 7.714 7.341 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.481 8.556 6.224 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.273 5.970 4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.437 7.232 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 47 6.693 5.548 5.718 1.00 0.00 H new ATOM 756 N LYS A 48 6.484 4.976 9.073 1.00 0.00 N ATOM 757 CA LYS A 48 7.182 3.741 9.386 1.00 0.00 C ATOM 758 C LYS A 48 6.604 2.643 8.515 1.00 0.00 C ATOM 759 O LYS A 48 5.457 2.752 8.097 1.00 0.00 O ATOM 760 CB LYS A 48 6.920 3.348 10.850 1.00 0.00 C ATOM 761 CG LYS A 48 7.892 3.946 11.864 1.00 0.00 C ATOM 762 CD LYS A 48 9.336 3.472 11.642 1.00 0.00 C ATOM 763 CE LYS A 48 10.157 3.506 12.933 1.00 0.00 C ATOM 764 NZ LYS A 48 10.081 4.814 13.610 1.00 0.00 N ATOM 0 H LYS A 48 5.513 4.958 9.384 1.00 0.00 H new ATOM 0 HA LYS A 48 8.251 3.875 9.219 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.908 3.653 11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.957 2.262 10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.856 5.034 11.800 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.574 3.675 12.871 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.327 2.457 11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.813 4.103 10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.800 2.728 13.608 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.198 3.277 12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.802 4.860 14.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.250 5.573 12.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.137 4.933 14.031 1.00 0.00 H new ATOM 778 N LYS A 49 7.314 1.519 8.446 1.00 0.00 N ATOM 779 CA LYS A 49 6.851 0.220 7.956 1.00 0.00 C ATOM 780 C LYS A 49 5.675 -0.402 8.722 1.00 0.00 C ATOM 781 O LYS A 49 5.356 -1.583 8.546 1.00 0.00 O ATOM 782 CB LYS A 49 8.049 -0.725 7.960 1.00 0.00 C ATOM 783 CG LYS A 49 8.384 -1.282 9.353 1.00 0.00 C ATOM 784 CD LYS A 49 9.822 -1.796 9.410 1.00 0.00 C ATOM 785 CE LYS A 49 9.942 -2.921 10.444 1.00 0.00 C ATOM 786 NZ LYS A 49 11.005 -2.649 11.426 1.00 0.00 N ATOM 0 H LYS A 49 8.287 1.488 8.749 1.00 0.00 H new ATOM 0 HA LYS A 49 6.450 0.384 6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.849 -1.556 7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.919 -0.198 7.569 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.243 -0.503 10.103 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.696 -2.090 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.125 -2.161 8.428 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.497 -0.981 9.669 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.991 -3.042 10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.149 -3.862 9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.056 -3.432 12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.917 -2.559 10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.794 -1.764 11.930 1.00 0.00 H new ATOM 800 N GLY A 50 5.051 0.361 9.602 1.00 0.00 N ATOM 801 CA GLY A 50 3.746 0.055 10.116 1.00 0.00 C ATOM 802 C GLY A 50 3.169 1.348 10.653 1.00 0.00 C ATOM 803 O GLY A 50 3.458 1.736 11.782 1.00 0.00 O ATOM 0 H GLY A 50 5.450 1.221 9.979 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.109 -0.356 9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.808 -0.696 10.903 1.00 0.00 H new ATOM 807 N GLU A 51 2.430 2.076 9.823 1.00 0.00 N ATOM 808 CA GLU A 51 1.796 3.330 10.199 1.00 0.00 C ATOM 809 C GLU A 51 0.461 3.362 9.461 1.00 0.00 C ATOM 810 O GLU A 51 0.455 3.140 8.256 1.00 0.00 O ATOM 811 CB GLU A 51 2.724 4.499 9.807 1.00 0.00 C ATOM 812 CG GLU A 51 2.550 5.729 10.705 1.00 0.00 C ATOM 813 CD GLU A 51 3.130 5.489 12.101 1.00 0.00 C ATOM 814 OE1 GLU A 51 2.423 4.949 12.972 1.00 0.00 O ATOM 815 OE2 GLU A 51 4.303 5.854 12.347 1.00 0.00 O ATOM 0 H GLU A 51 2.253 1.805 8.856 1.00 0.00 H new ATOM 0 HA GLU A 51 1.621 3.420 11.271 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.760 4.165 9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.527 4.781 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.042 6.587 10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.491 5.975 10.787 1.00 0.00 H new ATOM 822 N VAL A 52 -0.656 3.574 10.157 1.00 0.00 N ATOM 823 CA VAL A 52 -2.037 3.372 9.681 1.00 0.00 C ATOM 824 C VAL A 52 -2.510 4.431 8.652 1.00 0.00 C ATOM 825 O VAL A 52 -3.694 4.634 8.419 1.00 0.00 O ATOM 826 CB VAL A 52 -2.920 3.221 10.946 1.00 0.00 C ATOM 827 CG1 VAL A 52 -4.425 3.358 10.751 1.00 0.00 C ATOM 828 CG2 VAL A 52 -2.563 1.901 11.639 1.00 0.00 C ATOM 0 H VAL A 52 -0.627 3.909 11.120 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.115 2.464 9.084 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.684 4.080 11.574 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.929 3.232 11.709 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.651 4.345 10.349 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.773 2.594 10.055 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.177 1.781 12.532 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.748 1.071 10.957 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.510 1.911 11.921 1.00 0.00 H new ATOM 838 N VAL A 53 -1.587 5.116 7.999 1.00 0.00 N ATOM 839 CA VAL A 53 -1.781 6.334 7.221 1.00 0.00 C ATOM 840 C VAL A 53 -2.635 6.198 5.947 1.00 0.00 C ATOM 841 O VAL A 53 -2.595 7.086 5.096 1.00 0.00 O ATOM 842 CB VAL A 53 -0.384 6.879 6.889 1.00 0.00 C ATOM 843 CG1 VAL A 53 0.384 7.218 8.172 1.00 0.00 C ATOM 844 CG2 VAL A 53 0.420 5.894 6.024 1.00 0.00 C ATOM 0 H VAL A 53 -0.612 4.817 7.997 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.368 7.018 7.834 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.519 7.793 6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.371 7.602 7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.164 7.973 8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.492 6.320 8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.402 6.315 5.810 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.538 4.952 6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.110 5.716 5.088 1.00 0.00 H new ATOM 854 N ALA A 54 -3.320 5.074 5.754 1.00 0.00 N ATOM 855 CA ALA A 54 -4.207 4.826 4.637 1.00 0.00 C ATOM 856 C ALA A 54 -5.297 3.851 5.081 1.00 0.00 C ATOM 857 O ALA A 54 -5.515 2.828 4.431 1.00 0.00 O ATOM 858 CB ALA A 54 -3.381 4.315 3.451 1.00 0.00 C ATOM 0 H ALA A 54 -3.266 4.286 6.399 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.706 5.737 4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.040 4.125 2.604 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.640 5.065 3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.875 3.391 3.731 1.00 0.00 H new ATOM 864 N SER A 55 -5.940 4.112 6.223 1.00 0.00 N ATOM 865 CA SER A 55 -7.138 3.388 6.628 1.00 0.00 C ATOM 866 C SER A 55 -8.162 3.337 5.492 1.00 0.00 C ATOM 867 O SER A 55 -8.185 4.168 4.590 1.00 0.00 O ATOM 868 CB SER A 55 -7.761 4.057 7.853 1.00 0.00 C ATOM 869 OG SER A 55 -6.986 3.857 9.025 1.00 0.00 O ATOM 0 H SER A 55 -5.643 4.828 6.886 1.00 0.00 H new ATOM 0 HA SER A 55 -6.849 2.367 6.876 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.866 5.126 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.764 3.661 8.011 1.00 0.00 H new ATOM 0 HG SER A 55 -7.177 2.970 9.396 1.00 0.00 H new ATOM 875 N ILE A 56 -9.052 2.356 5.544 1.00 0.00 N ATOM 876 CA ILE A 56 -10.047 2.132 4.512 1.00 0.00 C ATOM 877 C ILE A 56 -11.308 1.709 5.243 1.00 0.00 C ATOM 878 O ILE A 56 -11.379 0.563 5.693 1.00 0.00 O ATOM 879 CB ILE A 56 -9.580 1.076 3.476 1.00 0.00 C ATOM 880 CG1 ILE A 56 -8.090 1.136 3.093 1.00 0.00 C ATOM 881 CG2 ILE A 56 -10.506 1.217 2.256 1.00 0.00 C ATOM 882 CD1 ILE A 56 -7.708 0.058 2.080 1.00 0.00 C ATOM 0 H ILE A 56 -9.102 1.688 6.313 1.00 0.00 H new ATOM 0 HA ILE A 56 -10.222 3.033 3.924 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.659 0.089 3.931 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.863 2.118 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.482 1.021 3.990 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -10.218 0.492 1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -11.537 1.034 2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -10.421 2.224 1.849 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.648 0.142 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.908 -0.926 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.295 0.188 1.171 1.00 0.00 H new ATOM 894 N GLU A 57 -12.261 2.624 5.427 1.00 0.00 N ATOM 895 CA GLU A 57 -13.584 2.254 5.905 1.00 0.00 C ATOM 896 C GLU A 57 -14.407 1.862 4.689 1.00 0.00 C ATOM 897 O GLU A 57 -14.577 2.667 3.778 1.00 0.00 O ATOM 898 CB GLU A 57 -14.257 3.347 6.766 1.00 0.00 C ATOM 899 CG GLU A 57 -13.918 3.066 8.243 1.00 0.00 C ATOM 900 CD GLU A 57 -14.670 3.883 9.299 1.00 0.00 C ATOM 901 OE1 GLU A 57 -15.921 3.955 9.288 1.00 0.00 O ATOM 902 OE2 GLU A 57 -14.024 4.295 10.297 1.00 0.00 O ATOM 0 H GLU A 57 -12.138 3.621 5.252 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.503 1.410 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.900 4.335 6.475 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.336 3.340 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.103 2.010 8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.850 3.234 8.383 1.00 0.00 H new ATOM 909 N SER A 58 -14.866 0.612 4.661 1.00 0.00 N ATOM 910 CA SER A 58 -15.852 0.096 3.726 1.00 0.00 C ATOM 911 C SER A 58 -17.249 0.273 4.310 1.00 0.00 C ATOM 912 O SER A 58 -17.457 0.974 5.302 1.00 0.00 O ATOM 913 CB SER A 58 -15.528 -1.382 3.442 1.00 0.00 C ATOM 914 OG SER A 58 -15.480 -2.129 4.650 1.00 0.00 O ATOM 0 H SER A 58 -14.544 -0.096 5.320 1.00 0.00 H new ATOM 0 HA SER A 58 -15.821 0.643 2.784 1.00 0.00 H new ATOM 0 HB2 SER A 58 -16.283 -1.803 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.571 -1.456 2.925 1.00 0.00 H new ATOM 0 HG SER A 58 -15.434 -3.085 4.442 1.00 0.00 H new ATOM 920 N VAL A 59 -18.218 -0.379 3.673 1.00 0.00 N ATOM 921 CA VAL A 59 -19.607 -0.443 4.073 1.00 0.00 C ATOM 922 C VAL A 59 -19.772 -0.579 5.592 1.00 0.00 C ATOM 923 O VAL A 59 -20.469 0.250 6.186 1.00 0.00 O ATOM 924 CB VAL A 59 -20.308 -1.540 3.255 1.00 0.00 C ATOM 925 CG1 VAL A 59 -20.649 -1.006 1.856 1.00 0.00 C ATOM 926 CG2 VAL A 59 -19.513 -2.847 3.082 1.00 0.00 C ATOM 0 H VAL A 59 -18.037 -0.904 2.817 1.00 0.00 H new ATOM 0 HA VAL A 59 -20.101 0.502 3.846 1.00 0.00 H new ATOM 0 HB VAL A 59 -21.195 -1.791 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -21.146 -1.787 1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -21.311 -0.145 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -19.733 -0.707 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -20.097 -3.552 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -18.573 -2.636 2.572 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -19.305 -3.279 4.061 1.00 0.00 H new ATOM 936 N LYS A 60 -19.127 -1.555 6.250 1.00 0.00 N ATOM 937 CA LYS A 60 -19.110 -1.618 7.711 1.00 0.00 C ATOM 938 C LYS A 60 -17.883 -2.378 8.235 1.00 0.00 C ATOM 939 O LYS A 60 -18.013 -3.287 9.062 1.00 0.00 O ATOM 940 CB LYS A 60 -20.464 -2.174 8.219 1.00 0.00 C ATOM 941 CG LYS A 60 -20.936 -1.564 9.548 1.00 0.00 C ATOM 942 CD LYS A 60 -20.052 -1.910 10.752 1.00 0.00 C ATOM 943 CE LYS A 60 -20.825 -1.774 12.057 1.00 0.00 C ATOM 944 NZ LYS A 60 -19.970 -2.032 13.231 1.00 0.00 N ATOM 0 H LYS A 60 -18.613 -2.307 5.791 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.003 -0.613 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -21.225 -1.996 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -20.379 -3.254 8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -20.977 -0.480 9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -21.952 -1.903 9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -19.678 -2.929 10.652 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -19.183 -1.252 10.770 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -21.245 -0.771 12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -21.663 -2.471 12.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -20.533 -1.930 14.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -19.589 -2.998 13.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -19.185 -1.350 13.245 1.00 0.00 H new ATOM 958 N ALA A 61 -16.679 -2.003 7.806 1.00 0.00 N ATOM 959 CA ALA A 61 -15.434 -2.394 8.463 1.00 0.00 C ATOM 960 C ALA A 61 -14.374 -1.327 8.205 1.00 0.00 C ATOM 961 O ALA A 61 -14.638 -0.378 7.472 1.00 0.00 O ATOM 962 CB ALA A 61 -14.966 -3.756 7.950 1.00 0.00 C ATOM 0 H ALA A 61 -16.540 -1.414 6.985 1.00 0.00 H new ATOM 0 HA ALA A 61 -15.601 -2.479 9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.037 -4.033 8.449 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.729 -4.506 8.160 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.798 -3.701 6.874 1.00 0.00 H new ATOM 968 N ALA A 62 -13.180 -1.498 8.782 1.00 0.00 N ATOM 969 CA ALA A 62 -12.043 -0.600 8.653 1.00 0.00 C ATOM 970 C ALA A 62 -10.780 -1.441 8.529 1.00 0.00 C ATOM 971 O ALA A 62 -10.427 -2.159 9.474 1.00 0.00 O ATOM 972 CB ALA A 62 -11.928 0.332 9.858 1.00 0.00 C ATOM 0 H ALA A 62 -12.978 -2.302 9.376 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.180 0.022 7.768 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.068 0.989 9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.834 0.932 9.942 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -11.800 -0.259 10.765 1.00 0.00 H new ATOM 978 N ALA A 63 -10.117 -1.392 7.374 1.00 0.00 N ATOM 979 CA ALA A 63 -8.776 -1.930 7.210 1.00 0.00 C ATOM 980 C ALA A 63 -7.786 -0.784 7.392 1.00 0.00 C ATOM 981 O ALA A 63 -7.574 -0.007 6.465 1.00 0.00 O ATOM 982 CB ALA A 63 -8.603 -2.617 5.846 1.00 0.00 C ATOM 0 H ALA A 63 -10.500 -0.976 6.525 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.593 -2.701 7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.588 -3.006 5.761 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.315 -3.438 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.783 -1.895 5.050 1.00 0.00 H new ATOM 988 N ASP A 64 -7.182 -0.679 8.576 1.00 0.00 N ATOM 989 CA ASP A 64 -6.026 0.182 8.797 1.00 0.00 C ATOM 990 C ASP A 64 -4.909 -0.390 7.924 1.00 0.00 C ATOM 991 O ASP A 64 -4.495 -1.539 8.143 1.00 0.00 O ATOM 992 CB ASP A 64 -5.649 0.213 10.295 1.00 0.00 C ATOM 993 CG ASP A 64 -6.637 0.988 11.171 1.00 0.00 C ATOM 994 OD1 ASP A 64 -7.458 1.745 10.609 1.00 0.00 O ATOM 995 OD2 ASP A 64 -6.590 0.810 12.420 1.00 0.00 O ATOM 0 H ASP A 64 -7.482 -1.189 9.407 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.226 1.219 8.526 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.579 -0.811 10.663 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.659 0.658 10.401 1.00 0.00 H new ATOM 1000 N VAL A 65 -4.499 0.316 6.866 1.00 0.00 N ATOM 1001 CA VAL A 65 -3.378 -0.115 6.039 1.00 0.00 C ATOM 1002 C VAL A 65 -2.109 0.313 6.767 1.00 0.00 C ATOM 1003 O VAL A 65 -1.821 1.509 6.851 1.00 0.00 O ATOM 1004 CB VAL A 65 -3.407 0.479 4.625 1.00 0.00 C ATOM 1005 CG1 VAL A 65 -2.163 0.060 3.821 1.00 0.00 C ATOM 1006 CG2 VAL A 65 -4.634 -0.013 3.858 1.00 0.00 C ATOM 0 H VAL A 65 -4.931 1.190 6.565 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.428 -1.195 5.901 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.434 1.563 4.738 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.211 0.496 2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.266 0.414 4.329 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.130 -1.027 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.636 0.420 2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.604 -1.100 3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.538 0.290 4.386 1.00 0.00 H new ATOM 1016 N TYR A 66 -1.343 -0.632 7.311 1.00 0.00 N ATOM 1017 CA TYR A 66 -0.068 -0.293 7.923 1.00 0.00 C ATOM 1018 C TYR A 66 1.000 -0.172 6.851 1.00 0.00 C ATOM 1019 O TYR A 66 1.463 -1.191 6.340 1.00 0.00 O ATOM 1020 CB TYR A 66 0.373 -1.328 8.960 1.00 0.00 C ATOM 1021 CG TYR A 66 -0.665 -1.671 9.986 1.00 0.00 C ATOM 1022 CD1 TYR A 66 -0.760 -0.904 11.156 1.00 0.00 C ATOM 1023 CD2 TYR A 66 -1.547 -2.738 9.752 1.00 0.00 C ATOM 1024 CE1 TYR A 66 -1.778 -1.181 12.080 1.00 0.00 C ATOM 1025 CE2 TYR A 66 -2.575 -3.011 10.663 1.00 0.00 C ATOM 1026 CZ TYR A 66 -2.716 -2.203 11.816 1.00 0.00 C ATOM 1027 OH TYR A 66 -3.735 -2.376 12.694 1.00 0.00 O ATOM 0 H TYR A 66 -1.582 -1.623 7.339 1.00 0.00 H new ATOM 0 HA TYR A 66 -0.200 0.659 8.438 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.666 -2.240 8.440 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.260 -0.954 9.472 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.056 -0.107 11.344 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.433 -3.349 8.869 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.845 -0.612 12.995 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.255 -3.832 10.487 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.307 -3.112 12.391 1.00 0.00 H new ATOM 1037 N ALA A 67 1.414 1.070 6.595 1.00 0.00 N ATOM 1038 CA ALA A 67 2.392 1.476 5.593 1.00 0.00 C ATOM 1039 C ALA A 67 3.563 0.498 5.467 1.00 0.00 C ATOM 1040 O ALA A 67 4.032 -0.006 6.490 1.00 0.00 O ATOM 1041 CB ALA A 67 2.944 2.854 5.966 1.00 0.00 C ATOM 0 H ALA A 67 1.050 1.867 7.117 1.00 0.00 H new ATOM 0 HA ALA A 67 1.877 1.495 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.677 3.166 5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.128 3.576 5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 67 3.421 2.802 6.945 1.00 0.00 H new ATOM 1047 N PRO A 68 4.089 0.245 4.258 1.00 0.00 N ATOM 1048 CA PRO A 68 4.895 -0.943 4.052 1.00 0.00 C ATOM 1049 C PRO A 68 6.370 -0.751 4.387 1.00 0.00 C ATOM 1050 O PRO A 68 7.006 -1.683 4.876 1.00 0.00 O ATOM 1051 CB PRO A 68 4.706 -1.288 2.583 1.00 0.00 C ATOM 1052 CG PRO A 68 4.481 0.065 1.911 1.00 0.00 C ATOM 1053 CD PRO A 68 3.782 0.896 2.990 1.00 0.00 C ATOM 0 HA PRO A 68 4.576 -1.741 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 68 5.581 -1.795 2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.855 -1.953 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.422 0.520 1.603 1.00 0.00 H new ATOM 0 HG3 PRO A 68 3.865 -0.030 1.017 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.140 1.926 2.983 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.706 0.931 2.820 1.00 0.00 H new ATOM 1061 N LEU A 69 6.929 0.431 4.115 1.00 0.00 N ATOM 1062 CA LEU A 69 8.319 0.785 4.377 1.00 0.00 C ATOM 1063 C LEU A 69 8.299 2.025 5.258 1.00 0.00 C ATOM 1064 O LEU A 69 7.312 2.767 5.290 1.00 0.00 O ATOM 1065 CB LEU A 69 9.084 1.086 3.064 1.00 0.00 C ATOM 1066 CG LEU A 69 9.752 -0.090 2.327 1.00 0.00 C ATOM 1067 CD1 LEU A 69 10.889 -0.730 3.131 1.00 0.00 C ATOM 1068 CD2 LEU A 69 8.745 -1.149 1.894 1.00 0.00 C ATOM 0 H LEU A 69 6.402 1.194 3.690 1.00 0.00 H new ATOM 0 HA LEU A 69 8.831 -0.046 4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.387 1.559 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.857 1.820 3.290 1.00 0.00 H new ATOM 0 HG LEU A 69 10.192 0.345 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.320 -1.552 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.658 0.016 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.498 -1.110 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.265 -1.957 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.235 -1.547 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.013 -0.702 1.221 1.00 0.00 H new ATOM 1080 N SER A 70 9.407 2.281 5.939 1.00 0.00 N ATOM 1081 CA SER A 70 9.664 3.569 6.549 1.00 0.00 C ATOM 1082 C SER A 70 10.179 4.502 5.450 1.00 0.00 C ATOM 1083 O SER A 70 10.748 4.057 4.448 1.00 0.00 O ATOM 1084 CB SER A 70 10.650 3.372 7.702 1.00 0.00 C ATOM 1085 OG SER A 70 10.119 2.380 8.573 1.00 0.00 O ATOM 0 H SER A 70 10.151 1.598 6.082 1.00 0.00 H new ATOM 0 HA SER A 70 8.771 4.023 6.978 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.624 3.063 7.322 1.00 0.00 H new ATOM 0 HB3 SER A 70 10.800 4.309 8.239 1.00 0.00 H new ATOM 0 HG SER A 70 10.737 2.236 9.320 1.00 0.00 H new ATOM 1091 N GLY A 71 9.942 5.800 5.591 1.00 0.00 N ATOM 1092 CA GLY A 71 10.148 6.757 4.516 1.00 0.00 C ATOM 1093 C GLY A 71 9.242 7.957 4.742 1.00 0.00 C ATOM 1094 O GLY A 71 8.813 8.198 5.876 1.00 0.00 O ATOM 0 H GLY A 71 9.601 6.218 6.457 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.191 7.073 4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.928 6.295 3.553 1.00 0.00 H new ATOM 1098 N LYS A 72 8.928 8.709 3.687 1.00 0.00 N ATOM 1099 CA LYS A 72 8.065 9.885 3.786 1.00 0.00 C ATOM 1100 C LYS A 72 7.183 9.963 2.552 1.00 0.00 C ATOM 1101 O LYS A 72 7.654 9.706 1.447 1.00 0.00 O ATOM 1102 CB LYS A 72 8.949 11.130 3.951 1.00 0.00 C ATOM 1103 CG LYS A 72 8.153 12.418 4.216 1.00 0.00 C ATOM 1104 CD LYS A 72 8.924 13.667 3.800 1.00 0.00 C ATOM 1105 CE LYS A 72 8.907 13.782 2.275 1.00 0.00 C ATOM 1106 NZ LYS A 72 9.535 15.034 1.833 1.00 0.00 N ATOM 0 H LYS A 72 9.264 8.520 2.743 1.00 0.00 H new ATOM 0 HA LYS A 72 7.408 9.820 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.644 10.966 4.775 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.548 11.262 3.050 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.209 12.378 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.908 12.480 5.276 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.475 14.553 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.951 13.613 4.161 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.433 12.933 1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.879 13.740 1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.510 15.087 0.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.017 15.842 2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.523 15.060 2.158 1.00 0.00 H new ATOM 1120 N ILE A 73 5.904 10.280 2.725 1.00 0.00 N ATOM 1121 CA ILE A 73 4.943 10.439 1.643 1.00 0.00 C ATOM 1122 C ILE A 73 5.372 11.616 0.773 1.00 0.00 C ATOM 1123 O ILE A 73 5.911 12.598 1.291 1.00 0.00 O ATOM 1124 CB ILE A 73 3.546 10.691 2.235 1.00 0.00 C ATOM 1125 CG1 ILE A 73 3.133 9.674 3.313 1.00 0.00 C ATOM 1126 CG2 ILE A 73 2.449 10.747 1.156 1.00 0.00 C ATOM 1127 CD1 ILE A 73 3.445 8.216 2.987 1.00 0.00 C ATOM 0 H ILE A 73 5.498 10.437 3.647 1.00 0.00 H new ATOM 0 HA ILE A 73 4.907 9.536 1.034 1.00 0.00 H new ATOM 0 HB ILE A 73 3.636 11.667 2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.632 9.935 4.246 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.061 9.769 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.483 10.927 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.667 11.554 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.419 9.799 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.115 7.581 3.809 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.924 7.928 2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.519 8.097 2.845 1.00 0.00 H new ATOM 1139 N VAL A 74 5.113 11.526 -0.534 1.00 0.00 N ATOM 1140 CA VAL A 74 5.420 12.570 -1.504 1.00 0.00 C ATOM 1141 C VAL A 74 4.414 12.561 -2.663 1.00 0.00 C ATOM 1142 O VAL A 74 4.512 13.406 -3.551 1.00 0.00 O ATOM 1143 CB VAL A 74 6.863 12.369 -2.037 1.00 0.00 C ATOM 1144 CG1 VAL A 74 7.935 12.633 -0.967 1.00 0.00 C ATOM 1145 CG2 VAL A 74 7.099 10.967 -2.628 1.00 0.00 C ATOM 0 H VAL A 74 4.674 10.706 -0.952 1.00 0.00 H new ATOM 0 HA VAL A 74 5.347 13.539 -1.011 1.00 0.00 H new ATOM 0 HB VAL A 74 6.960 13.108 -2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.924 12.477 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.851 13.661 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.791 11.949 -0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 74 8.127 10.890 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.923 10.214 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.414 10.803 -3.460 1.00 0.00 H new ATOM 1155 N GLU A 75 3.431 11.656 -2.657 1.00 0.00 N ATOM 1156 CA GLU A 75 2.278 11.668 -3.543 1.00 0.00 C ATOM 1157 C GLU A 75 1.217 10.767 -2.893 1.00 0.00 C ATOM 1158 O GLU A 75 1.550 9.895 -2.081 1.00 0.00 O ATOM 1159 CB GLU A 75 2.691 11.145 -4.926 1.00 0.00 C ATOM 1160 CG GLU A 75 2.404 12.105 -6.077 1.00 0.00 C ATOM 1161 CD GLU A 75 3.121 11.601 -7.335 1.00 0.00 C ATOM 1162 OE1 GLU A 75 2.601 10.686 -8.012 1.00 0.00 O ATOM 1163 OE2 GLU A 75 4.245 12.077 -7.610 1.00 0.00 O ATOM 0 H GLU A 75 3.422 10.869 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 75 1.879 12.673 -3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.758 10.923 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.172 10.205 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.331 12.169 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.746 13.109 -5.825 1.00 0.00 H new ATOM 1170 N VAL A 76 -0.052 10.953 -3.237 1.00 0.00 N ATOM 1171 CA VAL A 76 -1.191 10.282 -2.614 1.00 0.00 C ATOM 1172 C VAL A 76 -2.231 10.042 -3.707 1.00 0.00 C ATOM 1173 O VAL A 76 -2.324 10.845 -4.640 1.00 0.00 O ATOM 1174 CB VAL A 76 -1.759 11.143 -1.464 1.00 0.00 C ATOM 1175 CG1 VAL A 76 -0.757 11.274 -0.308 1.00 0.00 C ATOM 1176 CG2 VAL A 76 -2.154 12.548 -1.935 1.00 0.00 C ATOM 0 H VAL A 76 -0.327 11.595 -3.980 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.893 9.330 -2.174 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.651 10.623 -1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.191 11.886 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.524 10.285 0.086 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.157 11.744 -0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.548 13.117 -1.093 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.278 13.056 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.917 12.471 -2.709 1.00 0.00 H new ATOM 1186 N ASN A 77 -2.983 8.941 -3.642 1.00 0.00 N ATOM 1187 CA ASN A 77 -3.892 8.601 -4.728 1.00 0.00 C ATOM 1188 C ASN A 77 -5.230 9.294 -4.529 1.00 0.00 C ATOM 1189 O ASN A 77 -6.216 8.667 -4.152 1.00 0.00 O ATOM 1190 CB ASN A 77 -4.078 7.090 -4.880 1.00 0.00 C ATOM 1191 CG ASN A 77 -4.773 6.786 -6.201 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -4.877 7.627 -7.086 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -5.248 5.578 -6.379 1.00 0.00 N ATOM 0 H ASN A 77 -2.979 8.283 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.442 8.957 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.110 6.590 -4.844 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.668 6.702 -4.050 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -5.707 5.335 -7.257 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -5.159 4.881 -5.640 1.00 0.00 H new ATOM 1200 N GLU A 78 -5.278 10.599 -4.784 1.00 0.00 N ATOM 1201 CA GLU A 78 -6.459 11.426 -4.575 1.00 0.00 C ATOM 1202 C GLU A 78 -7.695 10.995 -5.365 1.00 0.00 C ATOM 1203 O GLU A 78 -8.814 11.331 -4.986 1.00 0.00 O ATOM 1204 CB GLU A 78 -6.099 12.910 -4.730 1.00 0.00 C ATOM 1205 CG GLU A 78 -5.266 13.225 -5.981 1.00 0.00 C ATOM 1206 CD GLU A 78 -5.362 14.701 -6.371 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -5.108 15.592 -5.523 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -5.741 14.964 -7.537 1.00 0.00 O ATOM 0 H GLU A 78 -4.480 11.120 -5.149 1.00 0.00 H new ATOM 0 HA GLU A 78 -6.779 11.267 -3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.018 13.495 -4.762 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.546 13.233 -3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.223 12.964 -5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.609 12.607 -6.811 1.00 0.00 H new ATOM 1215 N LYS A 79 -7.530 10.142 -6.371 1.00 0.00 N ATOM 1216 CA LYS A 79 -8.635 9.422 -6.983 1.00 0.00 C ATOM 1217 C LYS A 79 -9.446 8.648 -5.962 1.00 0.00 C ATOM 1218 O LYS A 79 -10.670 8.693 -6.033 1.00 0.00 O ATOM 1219 CB LYS A 79 -8.152 8.462 -8.086 1.00 0.00 C ATOM 1220 CG LYS A 79 -8.467 9.056 -9.456 1.00 0.00 C ATOM 1221 CD LYS A 79 -8.649 8.043 -10.585 1.00 0.00 C ATOM 1222 CE LYS A 79 -9.891 7.162 -10.399 1.00 0.00 C ATOM 1223 NZ LYS A 79 -10.403 6.644 -11.686 1.00 0.00 N ATOM 0 H LYS A 79 -6.622 9.932 -6.784 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.275 10.181 -7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.080 8.292 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.639 7.493 -7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.377 9.651 -9.375 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.663 9.739 -9.730 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.724 8.573 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -7.765 7.409 -10.644 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.647 6.326 -9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.673 7.738 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.390 6.337 -11.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -10.357 7.394 -12.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.823 5.836 -11.991 1.00 0.00 H new ATOM 1237 N LEU A 80 -8.801 7.921 -5.052 1.00 0.00 N ATOM 1238 CA LEU A 80 -9.454 7.022 -4.094 1.00 0.00 C ATOM 1239 C LEU A 80 -10.362 7.776 -3.115 1.00 0.00 C ATOM 1240 O LEU A 80 -11.282 7.173 -2.571 1.00 0.00 O ATOM 1241 CB LEU A 80 -8.410 6.184 -3.335 1.00 0.00 C ATOM 1242 CG LEU A 80 -7.690 5.054 -4.119 1.00 0.00 C ATOM 1243 CD1 LEU A 80 -7.997 3.699 -3.492 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -8.088 4.894 -5.601 1.00 0.00 C ATOM 0 H LEU A 80 -7.786 7.939 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.092 6.350 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.650 6.863 -2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.902 5.734 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.643 5.354 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.486 2.915 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.653 3.690 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.072 3.521 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.521 4.075 -6.044 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -9.154 4.676 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.871 5.818 -6.138 1.00 0.00 H new ATOM 1256 N ASP A 81 -10.184 9.091 -2.961 1.00 0.00 N ATOM 1257 CA ASP A 81 -11.100 9.993 -2.245 1.00 0.00 C ATOM 1258 C ASP A 81 -12.476 10.060 -2.941 1.00 0.00 C ATOM 1259 O ASP A 81 -13.464 10.513 -2.363 1.00 0.00 O ATOM 1260 CB ASP A 81 -10.437 11.384 -2.210 1.00 0.00 C ATOM 1261 CG ASP A 81 -10.977 12.408 -1.207 1.00 0.00 C ATOM 1262 OD1 ASP A 81 -12.041 12.241 -0.576 1.00 0.00 O ATOM 1263 OD2 ASP A 81 -10.341 13.481 -1.088 1.00 0.00 O ATOM 0 H ASP A 81 -9.372 9.576 -3.343 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.278 9.625 -1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.375 11.244 -2.007 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -10.516 11.818 -3.207 1.00 0.00 H new ATOM 1268 N THR A 82 -12.569 9.603 -4.195 1.00 0.00 N ATOM 1269 CA THR A 82 -13.754 9.710 -5.042 1.00 0.00 C ATOM 1270 C THR A 82 -14.119 8.378 -5.723 1.00 0.00 C ATOM 1271 O THR A 82 -15.301 8.139 -5.968 1.00 0.00 O ATOM 1272 CB THR A 82 -13.556 10.851 -6.058 1.00 0.00 C ATOM 1273 OG1 THR A 82 -12.562 10.535 -7.013 1.00 0.00 O ATOM 1274 CG2 THR A 82 -13.185 12.197 -5.421 1.00 0.00 C ATOM 0 H THR A 82 -11.793 9.133 -4.660 1.00 0.00 H new ATOM 0 HA THR A 82 -14.608 9.950 -4.408 1.00 0.00 H new ATOM 0 HB THR A 82 -14.531 10.955 -6.535 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.929 9.895 -6.626 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.063 12.948 -6.202 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.977 12.508 -4.739 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.251 12.093 -4.869 1.00 0.00 H new ATOM 1282 N GLU A 83 -13.155 7.481 -5.966 1.00 0.00 N ATOM 1283 CA GLU A 83 -13.350 6.115 -6.455 1.00 0.00 C ATOM 1284 C GLU A 83 -12.634 5.103 -5.533 1.00 0.00 C ATOM 1285 O GLU A 83 -11.712 4.401 -5.955 1.00 0.00 O ATOM 1286 CB GLU A 83 -12.831 5.995 -7.891 1.00 0.00 C ATOM 1287 CG GLU A 83 -13.589 6.838 -8.927 1.00 0.00 C ATOM 1288 CD GLU A 83 -13.801 6.076 -10.236 1.00 0.00 C ATOM 1289 OE1 GLU A 83 -14.665 5.173 -10.287 1.00 0.00 O ATOM 1290 OE2 GLU A 83 -13.107 6.343 -11.242 1.00 0.00 O ATOM 0 H GLU A 83 -12.170 7.702 -5.819 1.00 0.00 H new ATOM 0 HA GLU A 83 -14.416 5.887 -6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.780 6.285 -7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.877 4.948 -8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -14.555 7.133 -8.518 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.034 7.754 -9.126 1.00 0.00 H new ATOM 1297 N PRO A 84 -13.057 4.977 -4.267 1.00 0.00 N ATOM 1298 CA PRO A 84 -12.483 4.048 -3.301 1.00 0.00 C ATOM 1299 C PRO A 84 -12.749 2.590 -3.687 1.00 0.00 C ATOM 1300 O PRO A 84 -12.160 1.676 -3.116 1.00 0.00 O ATOM 1301 CB PRO A 84 -13.100 4.411 -1.946 1.00 0.00 C ATOM 1302 CG PRO A 84 -14.331 5.253 -2.270 1.00 0.00 C ATOM 1303 CD PRO A 84 -14.119 5.757 -3.687 1.00 0.00 C ATOM 0 HA PRO A 84 -11.397 4.135 -3.267 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.373 3.516 -1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.394 4.969 -1.330 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.242 4.659 -2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -14.434 6.082 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.033 5.655 -4.271 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.860 6.816 -3.683 1.00 0.00 H new ATOM 1311 N GLU A 85 -13.607 2.346 -4.678 1.00 0.00 N ATOM 1312 CA GLU A 85 -13.832 1.014 -5.215 1.00 0.00 C ATOM 1313 C GLU A 85 -12.664 0.507 -6.053 1.00 0.00 C ATOM 1314 O GLU A 85 -12.626 -0.689 -6.337 1.00 0.00 O ATOM 1315 CB GLU A 85 -15.114 1.006 -6.065 1.00 0.00 C ATOM 1316 CG GLU A 85 -15.803 -0.365 -5.994 1.00 0.00 C ATOM 1317 CD GLU A 85 -17.279 -0.269 -6.374 1.00 0.00 C ATOM 1318 OE1 GLU A 85 -18.102 0.135 -5.502 1.00 0.00 O ATOM 1319 OE2 GLU A 85 -17.615 -0.544 -7.543 1.00 0.00 O ATOM 0 H GLU A 85 -14.164 3.072 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.934 0.342 -4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.795 1.780 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.871 1.244 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.298 -1.062 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.711 -0.768 -4.985 1.00 0.00 H new ATOM 1326 N LEU A 86 -11.713 1.357 -6.465 1.00 0.00 N ATOM 1327 CA LEU A 86 -10.713 0.941 -7.444 1.00 0.00 C ATOM 1328 C LEU A 86 -9.783 -0.158 -6.934 1.00 0.00 C ATOM 1329 O LEU A 86 -9.148 -0.819 -7.754 1.00 0.00 O ATOM 1330 CB LEU A 86 -9.895 2.126 -7.993 1.00 0.00 C ATOM 1331 CG LEU A 86 -10.374 2.687 -9.350 1.00 0.00 C ATOM 1332 CD1 LEU A 86 -9.253 3.541 -9.926 1.00 0.00 C ATOM 1333 CD2 LEU A 86 -10.599 1.605 -10.417 1.00 0.00 C ATOM 0 H LEU A 86 -11.619 2.319 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.290 0.517 -8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.915 2.931 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.856 1.813 -8.095 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.307 3.212 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.565 3.951 -10.887 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.028 4.357 -9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.363 2.927 -10.065 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.934 2.072 -11.343 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -9.666 1.071 -10.597 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.357 0.903 -10.069 1.00 0.00 H new ATOM 1345 N ILE A 87 -9.731 -0.419 -5.625 1.00 0.00 N ATOM 1346 CA ILE A 87 -9.040 -1.595 -5.129 1.00 0.00 C ATOM 1347 C ILE A 87 -9.724 -2.879 -5.631 1.00 0.00 C ATOM 1348 O ILE A 87 -9.033 -3.853 -5.898 1.00 0.00 O ATOM 1349 CB ILE A 87 -8.924 -1.574 -3.594 1.00 0.00 C ATOM 1350 CG1 ILE A 87 -8.291 -0.286 -3.018 1.00 0.00 C ATOM 1351 CG2 ILE A 87 -8.002 -2.722 -3.173 1.00 0.00 C ATOM 1352 CD1 ILE A 87 -9.312 0.775 -2.624 1.00 0.00 C ATOM 0 H ILE A 87 -10.155 0.164 -4.904 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.024 -1.583 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.943 -1.650 -3.213 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.693 -0.545 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.609 0.135 -3.757 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.903 -2.730 -2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.426 -3.670 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.020 -2.585 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.794 1.649 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.894 1.063 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.979 0.373 -1.862 1.00 0.00 H new ATOM 1364 N ASN A 88 -11.052 -2.920 -5.800 1.00 0.00 N ATOM 1365 CA ASN A 88 -11.717 -4.108 -6.352 1.00 0.00 C ATOM 1366 C ASN A 88 -11.168 -4.413 -7.748 1.00 0.00 C ATOM 1367 O ASN A 88 -10.882 -5.545 -8.139 1.00 0.00 O ATOM 1368 CB ASN A 88 -13.224 -3.876 -6.511 1.00 0.00 C ATOM 1369 CG ASN A 88 -14.047 -3.853 -5.220 1.00 0.00 C ATOM 1370 OD1 ASN A 88 -14.938 -4.671 -5.051 1.00 0.00 O ATOM 1371 ND2 ASN A 88 -13.784 -2.953 -4.283 1.00 0.00 N ATOM 0 H ASN A 88 -11.682 -2.153 -5.565 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.531 -4.930 -5.661 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.371 -2.928 -7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.624 -4.657 -7.158 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -14.326 -2.943 -3.419 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -13.039 -2.271 -4.426 1.00 0.00 H new ATOM 1378 N LYS A 89 -11.090 -3.336 -8.519 1.00 0.00 N ATOM 1379 CA LYS A 89 -10.844 -3.284 -9.942 1.00 0.00 C ATOM 1380 C LYS A 89 -9.405 -3.613 -10.243 1.00 0.00 C ATOM 1381 O LYS A 89 -9.113 -4.559 -10.972 1.00 0.00 O ATOM 1382 CB LYS A 89 -11.188 -1.853 -10.370 1.00 0.00 C ATOM 1383 CG LYS A 89 -12.715 -1.681 -10.336 1.00 0.00 C ATOM 1384 CD LYS A 89 -13.319 -0.915 -11.512 1.00 0.00 C ATOM 1385 CE LYS A 89 -14.814 -0.771 -11.208 1.00 0.00 C ATOM 1386 NZ LYS A 89 -15.393 0.453 -11.783 1.00 0.00 N ATOM 0 H LYS A 89 -11.208 -2.402 -8.126 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.446 -4.013 -10.485 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.712 -1.134 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.808 -1.657 -11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.173 -2.669 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.984 -1.167 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -12.849 0.062 -11.622 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.162 -1.452 -12.448 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.346 -1.638 -11.599 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.963 -0.766 -10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.405 0.502 -11.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -14.906 1.284 -11.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.278 0.439 -12.816 1.00 0.00 H new ATOM 1400 N ASP A 90 -8.511 -2.809 -9.695 1.00 0.00 N ATOM 1401 CA ASP A 90 -7.111 -2.778 -10.038 1.00 0.00 C ATOM 1402 C ASP A 90 -6.353 -2.587 -8.730 1.00 0.00 C ATOM 1403 O ASP A 90 -5.688 -1.560 -8.557 1.00 0.00 O ATOM 1404 CB ASP A 90 -6.852 -1.595 -10.981 1.00 0.00 C ATOM 1405 CG ASP A 90 -7.343 -1.765 -12.407 1.00 0.00 C ATOM 1406 OD1 ASP A 90 -6.774 -2.615 -13.112 1.00 0.00 O ATOM 1407 OD2 ASP A 90 -8.203 -0.940 -12.830 1.00 0.00 O ATOM 0 H ASP A 90 -8.757 -2.135 -8.970 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.793 -3.691 -10.541 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.324 -0.708 -10.558 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.779 -1.404 -11.007 1.00 0.00 H new ATOM 1412 N PRO A 91 -6.401 -3.554 -7.795 1.00 0.00 N ATOM 1413 CA PRO A 91 -5.721 -3.391 -6.518 1.00 0.00 C ATOM 1414 C PRO A 91 -4.221 -3.216 -6.704 1.00 0.00 C ATOM 1415 O PRO A 91 -3.537 -2.751 -5.802 1.00 0.00 O ATOM 1416 CB PRO A 91 -5.994 -4.662 -5.710 1.00 0.00 C ATOM 1417 CG PRO A 91 -6.612 -5.668 -6.673 1.00 0.00 C ATOM 1418 CD PRO A 91 -7.009 -4.874 -7.921 1.00 0.00 C ATOM 0 HA PRO A 91 -6.088 -2.499 -6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.072 -5.053 -5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -6.669 -4.455 -4.880 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.901 -6.456 -6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -7.481 -6.152 -6.226 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.661 -5.375 -8.824 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.093 -4.794 -7.999 1.00 0.00 H new ATOM 1426 N GLU A 92 -3.695 -3.597 -7.868 1.00 0.00 N ATOM 1427 CA GLU A 92 -2.280 -3.597 -8.174 1.00 0.00 C ATOM 1428 C GLU A 92 -2.038 -2.737 -9.424 1.00 0.00 C ATOM 1429 O GLU A 92 -1.111 -2.980 -10.200 1.00 0.00 O ATOM 1430 CB GLU A 92 -1.672 -5.026 -8.158 1.00 0.00 C ATOM 1431 CG GLU A 92 -2.565 -6.238 -7.774 1.00 0.00 C ATOM 1432 CD GLU A 92 -1.736 -7.450 -7.319 1.00 0.00 C ATOM 1433 OE1 GLU A 92 -0.928 -8.005 -8.110 1.00 0.00 O ATOM 1434 OE2 GLU A 92 -1.892 -7.860 -6.145 1.00 0.00 O ATOM 0 H GLU A 92 -4.269 -3.924 -8.645 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.707 -3.115 -7.382 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.270 -5.220 -9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -0.827 -5.013 -7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.247 -5.946 -6.975 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.179 -6.520 -8.629 1.00 0.00 H new ATOM 1441 N GLY A 93 -2.897 -1.741 -9.656 1.00 0.00 N ATOM 1442 CA GLY A 93 -2.754 -0.747 -10.706 1.00 0.00 C ATOM 1443 C GLY A 93 -3.234 0.593 -10.174 1.00 0.00 C ATOM 1444 O GLY A 93 -2.631 1.141 -9.252 1.00 0.00 O ATOM 0 H GLY A 93 -3.738 -1.606 -9.095 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.713 -0.678 -11.022 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.334 -1.036 -11.582 1.00 0.00 H new ATOM 1448 N GLU A 94 -4.329 1.123 -10.722 1.00 0.00 N ATOM 1449 CA GLU A 94 -4.840 2.424 -10.303 1.00 0.00 C ATOM 1450 C GLU A 94 -5.426 2.417 -8.885 1.00 0.00 C ATOM 1451 O GLU A 94 -5.560 3.492 -8.312 1.00 0.00 O ATOM 1452 CB GLU A 94 -5.855 2.970 -11.318 1.00 0.00 C ATOM 1453 CG GLU A 94 -5.217 3.735 -12.486 1.00 0.00 C ATOM 1454 CD GLU A 94 -4.688 5.127 -12.089 1.00 0.00 C ATOM 1455 OE1 GLU A 94 -3.824 5.222 -11.184 1.00 0.00 O ATOM 1456 OE2 GLU A 94 -5.096 6.146 -12.685 1.00 0.00 O ATOM 0 H GLU A 94 -4.876 0.671 -11.455 1.00 0.00 H new ATOM 0 HA GLU A 94 -3.981 3.094 -10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -6.439 2.140 -11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.551 3.630 -10.801 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.396 3.145 -12.892 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.953 3.848 -13.282 1.00 0.00 H new ATOM 1463 N GLY A 95 -5.700 1.266 -8.267 1.00 0.00 N ATOM 1464 CA GLY A 95 -6.053 1.153 -6.852 1.00 0.00 C ATOM 1465 C GLY A 95 -4.827 1.212 -5.935 1.00 0.00 C ATOM 1466 O GLY A 95 -4.808 0.568 -4.885 1.00 0.00 O ATOM 0 H GLY A 95 -5.682 0.367 -8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -6.740 1.957 -6.587 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.582 0.214 -6.687 1.00 0.00 H new ATOM 1470 N TRP A 96 -3.789 1.965 -6.316 1.00 0.00 N ATOM 1471 CA TRP A 96 -2.715 2.347 -5.404 1.00 0.00 C ATOM 1472 C TRP A 96 -3.304 3.209 -4.284 1.00 0.00 C ATOM 1473 O TRP A 96 -4.395 3.756 -4.440 1.00 0.00 O ATOM 1474 CB TRP A 96 -1.563 3.026 -6.179 1.00 0.00 C ATOM 1475 CG TRP A 96 -1.787 4.327 -6.875 1.00 0.00 C ATOM 1476 CD1 TRP A 96 -2.441 4.472 -8.048 1.00 0.00 C ATOM 1477 CD2 TRP A 96 -1.334 5.666 -6.496 1.00 0.00 C ATOM 1478 NE1 TRP A 96 -2.497 5.806 -8.396 1.00 0.00 N ATOM 1479 CE2 TRP A 96 -1.812 6.585 -7.483 1.00 0.00 C ATOM 1480 CE3 TRP A 96 -0.635 6.226 -5.399 1.00 0.00 C ATOM 1481 CZ2 TRP A 96 -1.590 7.965 -7.400 1.00 0.00 C ATOM 1482 CZ3 TRP A 96 -0.422 7.623 -5.305 1.00 0.00 C ATOM 1483 CH2 TRP A 96 -0.869 8.487 -6.319 1.00 0.00 C ATOM 0 H TRP A 96 -3.674 2.324 -7.264 1.00 0.00 H new ATOM 0 HA TRP A 96 -2.270 1.469 -4.936 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -0.744 3.174 -5.475 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -1.215 2.315 -6.928 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.859 3.663 -8.628 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.980 6.169 -9.218 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.258 5.577 -4.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -1.973 8.623 -8.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 0.090 8.029 -4.445 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.658 9.545 -6.265 1.00 0.00 H new ATOM 1494 N LEU A 97 -2.600 3.350 -3.155 1.00 0.00 N ATOM 1495 CA LEU A 97 -3.020 4.217 -2.065 1.00 0.00 C ATOM 1496 C LEU A 97 -2.030 5.365 -1.938 1.00 0.00 C ATOM 1497 O LEU A 97 -2.489 6.500 -2.080 1.00 0.00 O ATOM 1498 CB LEU A 97 -3.219 3.516 -0.716 1.00 0.00 C ATOM 1499 CG LEU A 97 -4.040 2.210 -0.705 1.00 0.00 C ATOM 1500 CD1 LEU A 97 -3.238 1.159 0.063 1.00 0.00 C ATOM 1501 CD2 LEU A 97 -5.405 2.346 -0.019 1.00 0.00 C ATOM 0 H LEU A 97 -1.722 2.862 -2.978 1.00 0.00 H new ATOM 0 HA LEU A 97 -4.013 4.583 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.235 3.298 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.700 4.221 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.224 1.937 -1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.795 0.222 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.280 0.999 -0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.066 1.506 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.925 1.388 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.262 2.648 1.019 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.999 3.098 -0.537 1.00 0.00 H new ATOM 1513 N PHE A 98 -0.705 5.144 -1.712 1.00 0.00 N ATOM 1514 CA PHE A 98 0.137 6.355 -1.704 1.00 0.00 C ATOM 1515 C PHE A 98 1.471 6.124 -2.397 1.00 0.00 C ATOM 1516 O PHE A 98 1.711 5.070 -2.988 1.00 0.00 O ATOM 1517 CB PHE A 98 0.208 6.955 -0.286 1.00 0.00 C ATOM 1518 CG PHE A 98 0.668 6.018 0.811 1.00 0.00 C ATOM 1519 CD1 PHE A 98 2.033 5.919 1.133 1.00 0.00 C ATOM 1520 CD2 PHE A 98 -0.273 5.268 1.541 1.00 0.00 C ATOM 1521 CE1 PHE A 98 2.455 5.111 2.207 1.00 0.00 C ATOM 1522 CE2 PHE A 98 0.150 4.431 2.590 1.00 0.00 C ATOM 1523 CZ PHE A 98 1.510 4.356 2.917 1.00 0.00 C ATOM 0 H PHE A 98 -0.245 4.248 -1.551 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.330 7.129 -2.313 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.881 7.812 -0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.780 7.332 -0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.762 6.466 0.554 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.323 5.335 1.295 1.00 0.00 H new ATOM 0 HE1 PHE A 98 3.499 5.073 2.482 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -0.572 3.848 3.142 1.00 0.00 H new ATOM 0 HZ PHE A 98 1.833 3.712 3.722 1.00 0.00 H new ATOM 1533 N LYS A 99 2.325 7.135 -2.384 1.00 0.00 N ATOM 1534 CA LYS A 99 3.665 7.076 -2.931 1.00 0.00 C ATOM 1535 C LYS A 99 4.555 7.753 -1.919 1.00 0.00 C ATOM 1536 O LYS A 99 4.264 8.854 -1.436 1.00 0.00 O ATOM 1537 CB LYS A 99 3.703 7.801 -4.268 1.00 0.00 C ATOM 1538 CG LYS A 99 3.138 6.952 -5.411 1.00 0.00 C ATOM 1539 CD LYS A 99 2.718 7.785 -6.620 1.00 0.00 C ATOM 1540 CE LYS A 99 2.204 6.819 -7.687 1.00 0.00 C ATOM 1541 NZ LYS A 99 1.572 7.505 -8.831 1.00 0.00 N ATOM 0 H LYS A 99 2.096 8.043 -1.981 1.00 0.00 H new ATOM 0 HA LYS A 99 3.993 6.052 -3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.134 8.727 -4.192 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.732 8.077 -4.499 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.888 6.224 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.278 6.389 -5.048 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.942 8.499 -6.343 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.561 8.362 -7.000 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.033 6.211 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.483 6.138 -7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.597 6.884 -9.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.584 7.732 -8.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.089 8.383 -9.038 1.00 0.00 H new ATOM 1555 N MET A 100 5.626 7.069 -1.573 1.00 0.00 N ATOM 1556 CA MET A 100 6.530 7.482 -0.524 1.00 0.00 C ATOM 1557 C MET A 100 7.947 7.385 -1.051 1.00 0.00 C ATOM 1558 O MET A 100 8.278 6.437 -1.764 1.00 0.00 O ATOM 1559 CB MET A 100 6.306 6.642 0.741 1.00 0.00 C ATOM 1560 CG MET A 100 5.986 5.152 0.495 1.00 0.00 C ATOM 1561 SD MET A 100 6.240 4.043 1.915 1.00 0.00 S ATOM 1562 CE MET A 100 7.903 4.524 2.472 1.00 0.00 C ATOM 0 H MET A 100 5.896 6.194 -2.023 1.00 0.00 H new ATOM 0 HA MET A 100 6.341 8.516 -0.236 1.00 0.00 H new ATOM 0 HB2 MET A 100 7.199 6.707 1.363 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.488 7.083 1.310 1.00 0.00 H new ATOM 0 HG2 MET A 100 4.947 5.071 0.176 1.00 0.00 H new ATOM 0 HG3 MET A 100 6.602 4.799 -0.332 1.00 0.00 H new ATOM 0 HE1 MET A 100 8.322 3.732 3.092 1.00 0.00 H new ATOM 0 HE2 MET A 100 8.545 4.684 1.606 1.00 0.00 H new ATOM 0 HE3 MET A 100 7.840 5.445 3.052 1.00 0.00 H new ATOM 1572 N GLU A 101 8.767 8.374 -0.715 1.00 0.00 N ATOM 1573 CA GLU A 101 10.202 8.285 -0.860 1.00 0.00 C ATOM 1574 C GLU A 101 10.680 7.203 0.102 1.00 0.00 C ATOM 1575 O GLU A 101 10.152 7.088 1.216 1.00 0.00 O ATOM 1576 CB GLU A 101 10.863 9.643 -0.561 1.00 0.00 C ATOM 1577 CG GLU A 101 12.264 9.717 -1.195 1.00 0.00 C ATOM 1578 CD GLU A 101 13.137 10.863 -0.684 1.00 0.00 C ATOM 1579 OE1 GLU A 101 12.610 11.892 -0.210 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.383 10.761 -0.843 1.00 0.00 O ATOM 0 H GLU A 101 8.446 9.263 -0.332 1.00 0.00 H new ATOM 0 HA GLU A 101 10.478 8.027 -1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.240 10.449 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.938 9.787 0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.781 8.775 -1.012 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.154 9.816 -2.275 1.00 0.00 H new ATOM 1587 N ILE A 102 11.666 6.420 -0.332 1.00 0.00 N ATOM 1588 CA ILE A 102 12.334 5.449 0.520 1.00 0.00 C ATOM 1589 C ILE A 102 13.611 6.087 1.076 1.00 0.00 C ATOM 1590 O ILE A 102 14.226 6.933 0.417 1.00 0.00 O ATOM 1591 CB ILE A 102 12.576 4.139 -0.262 1.00 0.00 C ATOM 1592 CG1 ILE A 102 13.120 4.376 -1.691 1.00 0.00 C ATOM 1593 CG2 ILE A 102 11.261 3.337 -0.288 1.00 0.00 C ATOM 1594 CD1 ILE A 102 13.585 3.097 -2.392 1.00 0.00 C ATOM 0 H ILE A 102 12.022 6.444 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 102 11.713 5.173 1.372 1.00 0.00 H new ATOM 0 HB ILE A 102 13.353 3.572 0.250 1.00 0.00 H new ATOM 0 HG12 ILE A 102 12.343 4.848 -2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.954 5.076 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 102 11.413 2.407 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.953 3.110 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.486 3.925 -0.778 1.00 0.00 H new ATOM 0 HD11 ILE A 102 13.953 3.341 -3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.385 2.635 -1.813 1.00 0.00 H new ATOM 0 HD13 ILE A 102 12.749 2.403 -2.474 1.00 0.00 H new ATOM 1606 N SER A 103 14.005 5.661 2.274 1.00 0.00 N ATOM 1607 CA SER A 103 15.094 6.218 3.062 1.00 0.00 C ATOM 1608 C SER A 103 16.014 5.134 3.635 1.00 0.00 C ATOM 1609 O SER A 103 17.103 5.455 4.117 1.00 0.00 O ATOM 1610 CB SER A 103 14.476 7.017 4.214 1.00 0.00 C ATOM 1611 OG SER A 103 13.635 8.062 3.752 1.00 0.00 O ATOM 0 H SER A 103 13.548 4.878 2.742 1.00 0.00 H new ATOM 0 HA SER A 103 15.705 6.848 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 103 13.901 6.346 4.852 1.00 0.00 H new ATOM 0 HB3 SER A 103 15.271 7.438 4.829 1.00 0.00 H new ATOM 0 HG SER A 103 13.261 8.544 4.519 1.00 0.00 H new ATOM 1617 N ASP A 104 15.587 3.870 3.589 1.00 0.00 N ATOM 1618 CA ASP A 104 16.263 2.707 4.138 1.00 0.00 C ATOM 1619 C ASP A 104 15.922 1.567 3.172 1.00 0.00 C ATOM 1620 O ASP A 104 15.076 0.722 3.478 1.00 0.00 O ATOM 1621 CB ASP A 104 15.758 2.374 5.565 1.00 0.00 C ATOM 1622 CG ASP A 104 16.093 3.380 6.673 1.00 0.00 C ATOM 1623 OD1 ASP A 104 15.412 4.430 6.801 1.00 0.00 O ATOM 1624 OD2 ASP A 104 16.977 3.089 7.509 1.00 0.00 O ATOM 0 H ASP A 104 14.706 3.623 3.139 1.00 0.00 H new ATOM 0 HA ASP A 104 17.336 2.874 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 104 14.674 2.263 5.524 1.00 0.00 H new ATOM 0 HB3 ASP A 104 16.167 1.405 5.852 1.00 0.00 H new ATOM 1629 N GLU A 105 16.524 1.528 1.975 1.00 0.00 N ATOM 1630 CA GLU A 105 16.270 0.486 0.985 1.00 0.00 C ATOM 1631 C GLU A 105 16.778 -0.890 1.484 1.00 0.00 C ATOM 1632 O GLU A 105 16.460 -1.942 0.932 1.00 0.00 O ATOM 1633 CB GLU A 105 16.878 0.970 -0.350 1.00 0.00 C ATOM 1634 CG GLU A 105 17.351 -0.163 -1.239 1.00 0.00 C ATOM 1635 CD GLU A 105 17.866 0.266 -2.612 1.00 0.00 C ATOM 1636 OE1 GLU A 105 18.871 1.005 -2.679 1.00 0.00 O ATOM 1637 OE2 GLU A 105 17.335 -0.239 -3.624 1.00 0.00 O ATOM 0 H GLU A 105 17.204 2.225 1.670 1.00 0.00 H new ATOM 0 HA GLU A 105 15.205 0.321 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.135 1.558 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 105 17.718 1.633 -0.140 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.144 -0.703 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.527 -0.863 -1.379 1.00 0.00 H new ATOM 1644 N GLY A 106 17.526 -0.903 2.577 1.00 0.00 N ATOM 1645 CA GLY A 106 17.943 -2.115 3.260 1.00 0.00 C ATOM 1646 C GLY A 106 16.733 -2.910 3.733 1.00 0.00 C ATOM 1647 O GLY A 106 16.734 -4.135 3.629 1.00 0.00 O ATOM 0 H GLY A 106 17.867 -0.051 3.023 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.547 -2.727 2.590 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.573 -1.860 4.112 1.00 0.00 H new ATOM 1651 N GLU A 107 15.700 -2.211 4.222 1.00 0.00 N ATOM 1652 CA GLU A 107 14.507 -2.854 4.746 1.00 0.00 C ATOM 1653 C GLU A 107 13.769 -3.627 3.666 1.00 0.00 C ATOM 1654 O GLU A 107 13.136 -4.608 4.019 1.00 0.00 O ATOM 1655 CB GLU A 107 13.546 -1.830 5.366 1.00 0.00 C ATOM 1656 CG GLU A 107 14.016 -1.287 6.717 1.00 0.00 C ATOM 1657 CD GLU A 107 14.158 -2.392 7.765 1.00 0.00 C ATOM 1658 OE1 GLU A 107 13.139 -2.910 8.275 1.00 0.00 O ATOM 1659 OE2 GLU A 107 15.303 -2.716 8.143 1.00 0.00 O ATOM 0 H GLU A 107 15.676 -1.192 4.262 1.00 0.00 H new ATOM 0 HA GLU A 107 14.843 -3.548 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 107 13.420 -0.998 4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.567 -2.292 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 107 14.974 -0.783 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.307 -0.540 7.073 1.00 0.00 H new ATOM 1666 N LEU A 108 13.842 -3.234 2.387 1.00 0.00 N ATOM 1667 CA LEU A 108 13.152 -3.893 1.291 1.00 0.00 C ATOM 1668 C LEU A 108 13.335 -5.414 1.333 1.00 0.00 C ATOM 1669 O LEU A 108 12.400 -6.104 0.975 1.00 0.00 O ATOM 1670 CB LEU A 108 13.617 -3.413 -0.085 1.00 0.00 C ATOM 1671 CG LEU A 108 13.567 -1.924 -0.466 1.00 0.00 C ATOM 1672 CD1 LEU A 108 13.699 -1.774 -1.976 1.00 0.00 C ATOM 1673 CD2 LEU A 108 12.362 -1.140 0.035 1.00 0.00 C ATOM 0 H LEU A 108 14.396 -2.431 2.089 1.00 0.00 H new ATOM 0 HA LEU A 108 12.103 -3.630 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.651 -3.738 -0.203 1.00 0.00 H new ATOM 0 HB3 LEU A 108 13.027 -3.952 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 108 14.413 -1.477 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.663 -0.717 -2.241 1.00 0.00 H new ATOM 0 HD12 LEU A 108 14.649 -2.198 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 108 12.880 -2.299 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 108 12.438 -0.104 -0.296 1.00 0.00 H new ATOM 0 HD22 LEU A 108 11.449 -1.582 -0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 108 12.335 -1.172 1.124 1.00 0.00 H new ATOM 1685 N GLU A 109 14.491 -5.954 1.721 1.00 0.00 N ATOM 1686 CA GLU A 109 14.732 -7.403 1.706 1.00 0.00 C ATOM 1687 C GLU A 109 14.111 -8.121 2.921 1.00 0.00 C ATOM 1688 O GLU A 109 13.930 -9.345 2.900 1.00 0.00 O ATOM 1689 CB GLU A 109 16.247 -7.639 1.629 1.00 0.00 C ATOM 1690 CG GLU A 109 16.838 -7.260 0.258 1.00 0.00 C ATOM 1691 CD GLU A 109 16.793 -8.417 -0.741 1.00 0.00 C ATOM 1692 OE1 GLU A 109 15.791 -8.561 -1.478 1.00 0.00 O ATOM 1693 OE2 GLU A 109 17.780 -9.189 -0.781 1.00 0.00 O ATOM 0 H GLU A 109 15.284 -5.406 2.053 1.00 0.00 H new ATOM 0 HA GLU A 109 14.241 -7.832 0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.741 -7.057 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.458 -8.689 1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.288 -6.412 -0.149 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.871 -6.937 0.388 1.00 0.00 H new ATOM 1700 N ASP A 110 13.757 -7.366 3.968 1.00 0.00 N ATOM 1701 CA ASP A 110 13.009 -7.834 5.134 1.00 0.00 C ATOM 1702 C ASP A 110 11.551 -8.102 4.747 1.00 0.00 C ATOM 1703 O ASP A 110 10.928 -9.019 5.290 1.00 0.00 O ATOM 1704 CB ASP A 110 13.074 -6.781 6.253 1.00 0.00 C ATOM 1705 CG ASP A 110 12.543 -7.253 7.610 1.00 0.00 C ATOM 1706 OD1 ASP A 110 11.369 -7.681 7.735 1.00 0.00 O ATOM 1707 OD2 ASP A 110 13.271 -7.120 8.616 1.00 0.00 O ATOM 0 H ASP A 110 13.994 -6.376 4.025 1.00 0.00 H new ATOM 0 HA ASP A 110 13.454 -8.762 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 110 14.110 -6.463 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 110 12.506 -5.904 5.941 1.00 0.00 H new ATOM 1712 N LEU A 111 11.002 -7.355 3.777 1.00 0.00 N ATOM 1713 CA LEU A 111 9.646 -7.575 3.285 1.00 0.00 C ATOM 1714 C LEU A 111 9.565 -8.941 2.604 1.00 0.00 C ATOM 1715 O LEU A 111 10.586 -9.554 2.278 1.00 0.00 O ATOM 1716 CB LEU A 111 9.271 -6.538 2.221 1.00 0.00 C ATOM 1717 CG LEU A 111 9.127 -5.052 2.560 1.00 0.00 C ATOM 1718 CD1 LEU A 111 7.833 -4.731 3.301 1.00 0.00 C ATOM 1719 CD2 LEU A 111 10.300 -4.512 3.303 1.00 0.00 C ATOM 0 H LEU A 111 11.489 -6.586 3.317 1.00 0.00 H new ATOM 0 HA LEU A 111 8.973 -7.505 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 111 10.020 -6.611 1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 111 8.322 -6.857 1.790 1.00 0.00 H new ATOM 0 HG LEU A 111 9.085 -4.549 1.594 1.00 0.00 H new ATOM 0 HD11 LEU A 111 7.790 -3.663 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.980 -5.013 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 111 7.802 -5.288 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 111 10.141 -3.455 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 111 10.419 -5.056 4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 111 11.199 -4.629 2.698 1.00 0.00 H new ATOM 1731 N LEU A 112 8.343 -9.386 2.301 1.00 0.00 N ATOM 1732 CA LEU A 112 8.171 -10.534 1.453 1.00 0.00 C ATOM 1733 C LEU A 112 8.623 -10.165 0.041 1.00 0.00 C ATOM 1734 O LEU A 112 8.121 -9.195 -0.546 1.00 0.00 O ATOM 1735 CB LEU A 112 6.714 -10.999 1.425 1.00 0.00 C ATOM 1736 CG LEU A 112 5.931 -11.112 2.740 1.00 0.00 C ATOM 1737 CD1 LEU A 112 6.690 -11.760 3.896 1.00 0.00 C ATOM 1738 CD2 LEU A 112 5.258 -9.821 3.151 1.00 0.00 C ATOM 0 H LEU A 112 7.476 -8.964 2.633 1.00 0.00 H new ATOM 0 HA LEU A 112 8.770 -11.355 1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 112 6.166 -10.316 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.693 -11.978 0.947 1.00 0.00 H new ATOM 0 HG LEU A 112 5.139 -11.820 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.051 -11.793 4.778 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.978 -12.774 3.619 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.584 -11.176 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 112 4.723 -9.972 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 112 6.011 -9.044 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 112 4.555 -9.515 2.377 1.00 0.00 H new ATOM 1750 N ASP A 113 9.521 -10.979 -0.513 1.00 0.00 N ATOM 1751 CA ASP A 113 9.689 -11.143 -1.955 1.00 0.00 C ATOM 1752 C ASP A 113 8.357 -11.644 -2.535 1.00 0.00 C ATOM 1753 O ASP A 113 7.439 -11.991 -1.808 1.00 0.00 O ATOM 1754 CB ASP A 113 10.834 -12.130 -2.255 1.00 0.00 C ATOM 1755 CG ASP A 113 12.202 -11.569 -1.866 1.00 0.00 C ATOM 1756 OD1 ASP A 113 12.605 -11.713 -0.690 1.00 0.00 O ATOM 1757 OD2 ASP A 113 12.855 -10.911 -2.711 1.00 0.00 O ATOM 0 H ASP A 113 10.162 -11.551 0.037 1.00 0.00 H new ATOM 0 HA ASP A 113 9.955 -10.192 -2.417 1.00 0.00 H new ATOM 0 HB2 ASP A 113 10.659 -13.061 -1.715 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.832 -12.373 -3.318 1.00 0.00 H new ATOM 1762 N GLU A 114 8.211 -11.715 -3.848 1.00 0.00 N ATOM 1763 CA GLU A 114 6.964 -12.042 -4.537 1.00 0.00 C ATOM 1764 C GLU A 114 6.540 -13.496 -4.304 1.00 0.00 C ATOM 1765 O GLU A 114 5.349 -13.800 -4.208 1.00 0.00 O ATOM 1766 CB GLU A 114 7.197 -11.794 -6.026 1.00 0.00 C ATOM 1767 CG GLU A 114 5.945 -11.971 -6.895 1.00 0.00 C ATOM 1768 CD GLU A 114 6.198 -11.732 -8.387 1.00 0.00 C ATOM 1769 OE1 GLU A 114 7.307 -11.300 -8.787 1.00 0.00 O ATOM 1770 OE2 GLU A 114 5.265 -11.971 -9.185 1.00 0.00 O ATOM 0 H GLU A 114 8.984 -11.541 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 114 6.158 -11.420 -4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 114 7.578 -10.782 -6.159 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.971 -12.475 -6.380 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.557 -12.980 -6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.173 -11.283 -6.551 1.00 0.00 H new ATOM 1777 N GLN A 115 7.502 -14.414 -4.237 1.00 0.00 N ATOM 1778 CA GLN A 115 7.269 -15.786 -3.840 1.00 0.00 C ATOM 1779 C GLN A 115 6.835 -15.797 -2.373 1.00 0.00 C ATOM 1780 O GLN A 115 5.791 -16.350 -2.039 1.00 0.00 O ATOM 1781 CB GLN A 115 8.572 -16.551 -4.099 1.00 0.00 C ATOM 1782 CG GLN A 115 8.647 -17.866 -3.329 1.00 0.00 C ATOM 1783 CD GLN A 115 9.788 -18.780 -3.764 1.00 0.00 C ATOM 1784 OE1 GLN A 115 9.675 -20.000 -3.668 1.00 0.00 O ATOM 1785 NE2 GLN A 115 10.906 -18.258 -4.234 1.00 0.00 N ATOM 0 H GLN A 115 8.477 -14.215 -4.462 1.00 0.00 H new ATOM 0 HA GLN A 115 6.472 -16.270 -4.405 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.663 -16.754 -5.166 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.418 -15.923 -3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 115 8.757 -17.647 -2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 115 7.704 -18.399 -3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.002 -17.246 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 115 11.674 -18.867 -4.517 1.00 0.00 H new ATOM 1794 N ALA A 116 7.607 -15.140 -1.503 1.00 0.00 N ATOM 1795 CA ALA A 116 7.337 -15.139 -0.066 1.00 0.00 C ATOM 1796 C ALA A 116 5.989 -14.473 0.245 1.00 0.00 C ATOM 1797 O ALA A 116 5.320 -14.842 1.208 1.00 0.00 O ATOM 1798 CB ALA A 116 8.485 -14.451 0.678 1.00 0.00 C ATOM 0 H ALA A 116 8.429 -14.599 -1.773 1.00 0.00 H new ATOM 0 HA ALA A 116 7.271 -16.171 0.278 1.00 0.00 H new ATOM 0 HB1 ALA A 116 8.278 -14.453 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 116 9.415 -14.986 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 116 8.580 -13.423 0.329 1.00 0.00 H new ATOM 1804 N TYR A 117 5.574 -13.507 -0.577 1.00 0.00 N ATOM 1805 CA TYR A 117 4.278 -12.863 -0.506 1.00 0.00 C ATOM 1806 C TYR A 117 3.175 -13.890 -0.727 1.00 0.00 C ATOM 1807 O TYR A 117 2.259 -13.998 0.088 1.00 0.00 O ATOM 1808 CB TYR A 117 4.231 -11.766 -1.575 1.00 0.00 C ATOM 1809 CG TYR A 117 2.828 -11.304 -1.892 1.00 0.00 C ATOM 1810 CD1 TYR A 117 2.065 -10.671 -0.900 1.00 0.00 C ATOM 1811 CD2 TYR A 117 2.256 -11.598 -3.142 1.00 0.00 C ATOM 1812 CE1 TYR A 117 0.720 -10.348 -1.133 1.00 0.00 C ATOM 1813 CE2 TYR A 117 0.913 -11.277 -3.391 1.00 0.00 C ATOM 1814 CZ TYR A 117 0.135 -10.673 -2.376 1.00 0.00 C ATOM 1815 OH TYR A 117 -1.175 -10.393 -2.597 1.00 0.00 O ATOM 0 H TYR A 117 6.156 -13.146 -1.332 1.00 0.00 H new ATOM 0 HA TYR A 117 4.124 -12.419 0.477 1.00 0.00 H new ATOM 0 HB2 TYR A 117 4.820 -10.913 -1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 117 4.700 -12.136 -2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 117 2.517 -10.430 0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 117 2.850 -12.071 -3.910 1.00 0.00 H new ATOM 0 HE1 TYR A 117 0.137 -9.855 -0.369 1.00 0.00 H new ATOM 0 HE2 TYR A 117 0.475 -11.490 -4.355 1.00 0.00 H new ATOM 0 HH TYR A 117 -1.422 -10.678 -3.501 1.00 0.00 H new ATOM 1825 N GLN A 118 3.274 -14.651 -1.820 1.00 0.00 N ATOM 1826 CA GLN A 118 2.354 -15.734 -2.124 1.00 0.00 C ATOM 1827 C GLN A 118 2.313 -16.714 -0.958 1.00 0.00 C ATOM 1828 O GLN A 118 1.237 -17.193 -0.621 1.00 0.00 O ATOM 1829 CB GLN A 118 2.748 -16.387 -3.464 1.00 0.00 C ATOM 1830 CG GLN A 118 3.180 -17.864 -3.426 1.00 0.00 C ATOM 1831 CD GLN A 118 3.577 -18.349 -4.813 1.00 0.00 C ATOM 1832 OE1 GLN A 118 4.341 -17.696 -5.527 1.00 0.00 O ATOM 1833 NE2 GLN A 118 3.057 -19.482 -5.242 1.00 0.00 N ATOM 0 H GLN A 118 4.004 -14.526 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 118 1.339 -15.356 -2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 118 1.901 -16.300 -4.144 1.00 0.00 H new ATOM 0 HB3 GLN A 118 3.564 -15.807 -3.895 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.019 -17.984 -2.740 1.00 0.00 H new ATOM 0 HG3 GLN A 118 2.364 -18.476 -3.042 1.00 0.00 H new ATOM 0 HE21 GLN A 118 2.426 -20.013 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 118 3.286 -19.827 -6.174 1.00 0.00 H new ATOM 1842 N GLU A 119 3.472 -17.010 -0.366 1.00 0.00 N ATOM 1843 CA GLU A 119 3.609 -17.975 0.698 1.00 0.00 C ATOM 1844 C GLU A 119 2.879 -17.506 1.961 1.00 0.00 C ATOM 1845 O GLU A 119 2.226 -18.315 2.626 1.00 0.00 O ATOM 1846 CB GLU A 119 5.100 -18.220 0.975 1.00 0.00 C ATOM 1847 CG GLU A 119 5.294 -19.603 1.607 1.00 0.00 C ATOM 1848 CD GLU A 119 6.430 -19.692 2.630 1.00 0.00 C ATOM 1849 OE1 GLU A 119 6.675 -18.734 3.396 1.00 0.00 O ATOM 1850 OE2 GLU A 119 6.996 -20.802 2.780 1.00 0.00 O ATOM 0 H GLU A 119 4.354 -16.569 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 119 3.149 -18.914 0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 119 5.667 -18.152 0.047 1.00 0.00 H new ATOM 0 HB3 GLU A 119 5.486 -17.449 1.641 1.00 0.00 H new ATOM 0 HG2 GLU A 119 4.364 -19.898 2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.482 -20.326 0.813 1.00 0.00 H new