USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 739 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc=-0.00977 (180deg=-0.256) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -0.183 X(o=-0.18,f=-0.34) USER MOD Single : A 13 SER OG : rot 180:sc= 0.016 USER MOD Single : A 16 GLN : amide:sc= -0.0295 K(o=-0.029,f=-1.2) USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -0.0251 (180deg=-0.184) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -137:sc= 0.514 (180deg=0.144) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 53 SER OG : rot -56:sc= 0.526 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.168 K(o=-0.17,f=-1.3!) USER MOD Single : A 68 HIS : no HE2:sc= -0.408 K(o=-0.41,f=-1.9!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00271) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc= -0.33 USER MOD Single : A 85 SER OG : rot -140:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HE2:sc= -5.34! C(o=-5.3!,f=-7.1!) USER MOD Single : A 100 SER OG : rot -49:sc= 1.22 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc=-0.000525 USER MOD Single : A 114 SER OG : rot -55:sc= 0.354 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.921 8.515 -0.866 1.00 1.25 N ATOM 2 CA MET A 1 -17.608 8.325 0.546 1.00 52.53 C ATOM 3 C MET A 1 -16.301 7.557 0.715 1.00 43.23 C ATOM 4 O MET A 1 -16.142 6.783 1.659 1.00 74.35 O ATOM 5 CB MET A 1 -18.745 7.579 1.247 1.00 33.11 C ATOM 6 CG MET A 1 -19.064 6.231 0.619 1.00 4.53 C ATOM 7 SD MET A 1 -19.837 5.090 1.783 1.00 71.15 S ATOM 8 CE MET A 1 -20.163 3.689 0.716 1.00 14.41 C ATOM 0 H1 MET A 1 -18.894 8.870 -0.961 1.00 1.25 H new ATOM 0 H2 MET A 1 -17.260 9.203 -1.279 1.00 1.25 H new ATOM 0 H3 MET A 1 -17.833 7.608 -1.366 1.00 1.25 H new ATOM 0 HA MET A 1 -17.493 9.308 1.002 1.00 52.53 H new ATOM 0 HB2 MET A 1 -18.480 7.430 2.294 1.00 33.11 H new ATOM 0 HB3 MET A 1 -19.641 8.200 1.230 1.00 33.11 H new ATOM 0 HG2 MET A 1 -19.727 6.379 -0.234 1.00 4.53 H new ATOM 0 HG3 MET A 1 -18.146 5.786 0.235 1.00 4.53 H new ATOM 0 HE1 MET A 1 -20.642 2.897 1.292 1.00 14.41 H new ATOM 0 HE2 MET A 1 -20.822 3.996 -0.096 1.00 14.41 H new ATOM 0 HE3 MET A 1 -19.224 3.320 0.302 1.00 14.41 H new ATOM 16 N ASP A 2 -15.368 7.777 -0.205 1.00 20.34 N ATOM 17 CA ASP A 2 -14.074 7.106 -0.157 1.00 70.04 C ATOM 18 C ASP A 2 -13.098 7.736 -1.146 1.00 54.34 C ATOM 19 O ASP A 2 -13.071 7.376 -2.324 1.00 55.42 O ATOM 20 CB ASP A 2 -14.237 5.616 -0.462 1.00 63.11 C ATOM 21 CG ASP A 2 -14.227 4.765 0.792 1.00 23.14 C ATOM 22 OD1 ASP A 2 -13.266 4.883 1.581 1.00 51.21 O ATOM 23 OD2 ASP A 2 -15.178 3.979 0.985 1.00 53.12 O ATOM 0 H ASP A 2 -15.484 8.415 -0.993 1.00 20.34 H new ATOM 0 HA ASP A 2 -13.670 7.221 0.849 1.00 70.04 H new ATOM 0 HB2 ASP A 2 -15.173 5.458 -0.998 1.00 63.11 H new ATOM 0 HB3 ASP A 2 -13.433 5.293 -1.123 1.00 63.11 H new ATOM 27 N THR A 3 -12.299 8.681 -0.661 1.00 3.31 N ATOM 28 CA THR A 3 -11.323 9.363 -1.503 1.00 4.44 C ATOM 29 C THR A 3 -9.904 9.133 -0.996 1.00 31.04 C ATOM 30 O THR A 3 -9.702 8.575 0.083 1.00 73.12 O ATOM 31 CB THR A 3 -11.595 10.878 -1.562 1.00 42.11 C ATOM 32 OG1 THR A 3 -11.408 11.461 -0.267 1.00 53.22 O ATOM 33 CG2 THR A 3 -13.009 11.156 -2.049 1.00 33.43 C ATOM 0 H THR A 3 -12.308 8.992 0.310 1.00 3.31 H new ATOM 0 HA THR A 3 -11.421 8.944 -2.504 1.00 4.44 H new ATOM 0 HB THR A 3 -10.891 11.323 -2.265 1.00 42.11 H new ATOM 0 HG1 THR A 3 -11.581 12.424 -0.314 1.00 53.22 H new ATOM 0 HG21 THR A 3 -13.177 12.232 -2.082 1.00 33.43 H new ATOM 0 HG22 THR A 3 -13.139 10.737 -3.047 1.00 33.43 H new ATOM 0 HG23 THR A 3 -13.725 10.698 -1.367 1.00 33.43 H new ATOM 41 N SER A 4 -8.923 9.566 -1.781 1.00 4.14 N ATOM 42 CA SER A 4 -7.521 9.404 -1.413 1.00 11.32 C ATOM 43 C SER A 4 -7.229 10.077 -0.076 1.00 41.52 C ATOM 44 O SER A 4 -6.340 9.656 0.664 1.00 5.43 O ATOM 45 CB SER A 4 -6.616 9.987 -2.499 1.00 1.11 C ATOM 46 OG SER A 4 -6.663 11.404 -2.495 1.00 74.11 O ATOM 0 H SER A 4 -9.073 10.032 -2.676 1.00 4.14 H new ATOM 0 HA SER A 4 -7.318 8.338 -1.315 1.00 11.32 H new ATOM 0 HB2 SER A 4 -5.591 9.653 -2.340 1.00 1.11 H new ATOM 0 HB3 SER A 4 -6.925 9.612 -3.475 1.00 1.11 H new ATOM 0 HG SER A 4 -6.075 11.753 -3.197 1.00 74.11 H new ATOM 51 N LYS A 5 -7.984 11.128 0.228 1.00 10.43 N ATOM 52 CA LYS A 5 -7.810 11.861 1.476 1.00 32.12 C ATOM 53 C LYS A 5 -8.179 10.992 2.674 1.00 50.23 C ATOM 54 O LYS A 5 -7.680 11.198 3.781 1.00 23.42 O ATOM 55 CB LYS A 5 -8.665 13.129 1.470 1.00 41.24 C ATOM 56 CG LYS A 5 -8.140 14.212 0.543 1.00 54.52 C ATOM 57 CD LYS A 5 -8.819 15.546 0.803 1.00 41.55 C ATOM 58 CE LYS A 5 -9.957 15.795 -0.176 1.00 10.11 C ATOM 59 NZ LYS A 5 -11.272 15.380 0.385 1.00 43.34 N ATOM 0 H LYS A 5 -8.723 11.491 -0.374 1.00 10.43 H new ATOM 0 HA LYS A 5 -6.759 12.139 1.561 1.00 32.12 H new ATOM 0 HB2 LYS A 5 -9.682 12.870 1.174 1.00 41.24 H new ATOM 0 HB3 LYS A 5 -8.719 13.525 2.484 1.00 41.24 H new ATOM 0 HG2 LYS A 5 -7.064 14.318 0.679 1.00 54.52 H new ATOM 0 HG3 LYS A 5 -8.303 13.916 -0.493 1.00 54.52 H new ATOM 0 HD2 LYS A 5 -9.204 15.566 1.822 1.00 41.55 H new ATOM 0 HD3 LYS A 5 -8.087 16.349 0.723 1.00 41.55 H new ATOM 0 HE2 LYS A 5 -9.990 16.854 -0.433 1.00 10.11 H new ATOM 0 HE3 LYS A 5 -9.767 15.248 -1.100 1.00 10.11 H new ATOM 0 HZ1 LYS A 5 -12.021 15.566 -0.312 1.00 43.34 H new ATOM 0 HZ2 LYS A 5 -11.250 14.364 0.607 1.00 43.34 H new ATOM 0 HZ3 LYS A 5 -11.465 15.920 1.253 1.00 43.34 H new ATOM 69 N PHE A 6 -9.056 10.020 2.447 1.00 31.21 N ATOM 70 CA PHE A 6 -9.491 9.119 3.508 1.00 72.21 C ATOM 71 C PHE A 6 -8.584 7.895 3.589 1.00 73.23 C ATOM 72 O PHE A 6 -8.474 7.260 4.637 1.00 30.10 O ATOM 73 CB PHE A 6 -10.939 8.680 3.271 1.00 65.42 C ATOM 74 CG PHE A 6 -11.568 8.024 4.465 1.00 1.45 C ATOM 75 CD1 PHE A 6 -11.511 8.624 5.714 1.00 30.33 C ATOM 76 CD2 PHE A 6 -12.218 6.806 4.342 1.00 73.42 C ATOM 77 CE1 PHE A 6 -12.090 8.023 6.815 1.00 21.32 C ATOM 78 CE2 PHE A 6 -12.799 6.200 5.439 1.00 24.22 C ATOM 79 CZ PHE A 6 -12.734 6.809 6.678 1.00 24.33 C ATOM 0 H PHE A 6 -9.480 9.836 1.538 1.00 31.21 H new ATOM 0 HA PHE A 6 -9.431 9.657 4.454 1.00 72.21 H new ATOM 0 HB2 PHE A 6 -11.533 9.550 2.989 1.00 65.42 H new ATOM 0 HB3 PHE A 6 -10.968 7.988 2.429 1.00 65.42 H new ATOM 0 HD1 PHE A 6 -11.008 9.573 5.827 1.00 30.33 H new ATOM 0 HD2 PHE A 6 -12.271 6.325 3.377 1.00 73.42 H new ATOM 0 HE1 PHE A 6 -12.039 8.502 7.782 1.00 21.32 H new ATOM 0 HE2 PHE A 6 -13.303 5.251 5.329 1.00 24.22 H new ATOM 0 HZ PHE A 6 -13.186 6.336 7.537 1.00 24.33 H new ATOM 88 N TRP A 7 -7.937 7.572 2.475 1.00 33.25 N ATOM 89 CA TRP A 7 -7.039 6.423 2.419 1.00 42.32 C ATOM 90 C TRP A 7 -5.591 6.853 2.632 1.00 41.44 C ATOM 91 O TRP A 7 -4.688 6.019 2.684 1.00 10.11 O ATOM 92 CB TRP A 7 -7.179 5.706 1.076 1.00 20.20 C ATOM 93 CG TRP A 7 -8.362 4.788 1.013 1.00 21.31 C ATOM 94 CD1 TRP A 7 -9.458 4.918 0.209 1.00 12.44 C ATOM 95 CD2 TRP A 7 -8.567 3.600 1.786 1.00 0.31 C ATOM 96 NE1 TRP A 7 -10.334 3.883 0.436 1.00 5.54 N ATOM 97 CE2 TRP A 7 -9.810 3.061 1.398 1.00 63.11 C ATOM 98 CE3 TRP A 7 -7.823 2.940 2.766 1.00 21.13 C ATOM 99 CZ2 TRP A 7 -10.321 1.893 1.958 1.00 51.42 C ATOM 100 CZ3 TRP A 7 -8.332 1.781 3.321 1.00 3.50 C ATOM 101 CH2 TRP A 7 -9.570 1.267 2.916 1.00 52.41 C ATOM 0 H TRP A 7 -8.017 8.088 1.599 1.00 33.25 H new ATOM 0 HA TRP A 7 -7.316 5.737 3.220 1.00 42.32 H new ATOM 0 HB2 TRP A 7 -7.262 6.449 0.283 1.00 20.20 H new ATOM 0 HB3 TRP A 7 -6.273 5.133 0.882 1.00 20.20 H new ATOM 0 HD1 TRP A 7 -9.614 5.717 -0.501 1.00 12.44 H new ATOM 0 HE1 TRP A 7 -11.229 3.749 -0.035 1.00 5.54 H new ATOM 0 HE3 TRP A 7 -6.867 3.328 3.085 1.00 21.13 H new ATOM 0 HZ2 TRP A 7 -11.276 1.495 1.648 1.00 51.42 H new ATOM 0 HZ3 TRP A 7 -7.765 1.263 4.080 1.00 3.50 H new ATOM 0 HH2 TRP A 7 -9.940 0.359 3.368 1.00 52.41 H new ATOM 111 N TYR A 8 -5.379 8.159 2.754 1.00 73.33 N ATOM 112 CA TYR A 8 -4.040 8.699 2.959 1.00 43.12 C ATOM 113 C TYR A 8 -3.921 9.354 4.332 1.00 34.52 C ATOM 114 O TYR A 8 -4.504 10.408 4.584 1.00 13.20 O ATOM 115 CB TYR A 8 -3.705 9.716 1.866 1.00 1.43 C ATOM 116 CG TYR A 8 -2.412 10.462 2.109 1.00 32.23 C ATOM 117 CD1 TYR A 8 -1.271 9.794 2.535 1.00 31.10 C ATOM 118 CD2 TYR A 8 -2.332 11.834 1.911 1.00 51.43 C ATOM 119 CE1 TYR A 8 -0.089 10.471 2.759 1.00 71.43 C ATOM 120 CE2 TYR A 8 -1.153 12.521 2.130 1.00 1.45 C ATOM 121 CZ TYR A 8 -0.034 11.834 2.555 1.00 3.51 C ATOM 122 OH TYR A 8 1.142 12.513 2.775 1.00 2.31 O ATOM 0 H TYR A 8 -6.116 8.863 2.715 1.00 73.33 H new ATOM 0 HA TYR A 8 -3.331 7.873 2.908 1.00 43.12 H new ATOM 0 HB2 TYR A 8 -3.642 9.200 0.908 1.00 1.43 H new ATOM 0 HB3 TYR A 8 -4.520 10.435 1.788 1.00 1.43 H new ATOM 0 HD1 TYR A 8 -1.309 8.726 2.694 1.00 31.10 H new ATOM 0 HD2 TYR A 8 -3.207 12.374 1.580 1.00 51.43 H new ATOM 0 HE1 TYR A 8 0.788 9.936 3.092 1.00 71.43 H new ATOM 0 HE2 TYR A 8 -1.108 13.588 1.970 1.00 1.45 H new ATOM 0 HH TYR A 8 1.011 13.465 2.584 1.00 2.31 H new ATOM 131 N LYS A 9 -3.160 8.719 5.218 1.00 62.21 N ATOM 132 CA LYS A 9 -2.961 9.238 6.565 1.00 25.01 C ATOM 133 C LYS A 9 -1.515 9.045 7.015 1.00 71.41 C ATOM 134 O LYS A 9 -1.059 7.927 7.255 1.00 22.12 O ATOM 135 CB LYS A 9 -3.908 8.544 7.547 1.00 44.00 C ATOM 136 CG LYS A 9 -5.365 8.929 7.360 1.00 23.32 C ATOM 137 CD LYS A 9 -6.265 8.200 8.344 1.00 21.42 C ATOM 138 CE LYS A 9 -7.668 8.020 7.788 1.00 52.11 C ATOM 139 NZ LYS A 9 -8.203 6.657 8.061 1.00 54.41 N ATOM 0 H LYS A 9 -2.671 7.844 5.027 1.00 62.21 H new ATOM 0 HA LYS A 9 -3.180 10.306 6.551 1.00 25.01 H new ATOM 0 HB2 LYS A 9 -3.809 7.464 7.434 1.00 44.00 H new ATOM 0 HB3 LYS A 9 -3.604 8.787 8.565 1.00 44.00 H new ATOM 0 HG2 LYS A 9 -5.478 10.005 7.491 1.00 23.32 H new ATOM 0 HG3 LYS A 9 -5.676 8.698 6.341 1.00 23.32 H new ATOM 0 HD2 LYS A 9 -5.837 7.225 8.577 1.00 21.42 H new ATOM 0 HD3 LYS A 9 -6.312 8.759 9.279 1.00 21.42 H new ATOM 0 HE2 LYS A 9 -8.331 8.765 8.228 1.00 52.11 H new ATOM 0 HE3 LYS A 9 -7.658 8.197 6.713 1.00 52.11 H new ATOM 0 HZ1 LYS A 9 -9.162 6.575 7.666 1.00 54.41 H new ATOM 0 HZ2 LYS A 9 -7.585 5.947 7.620 1.00 54.41 H new ATOM 0 HZ3 LYS A 9 -8.237 6.497 9.088 1.00 54.41 H new ATOM 149 N PRO A 10 -0.777 10.158 7.132 1.00 5.41 N ATOM 150 CA PRO A 10 0.626 10.138 7.555 1.00 31.54 C ATOM 151 C PRO A 10 0.783 9.760 9.025 1.00 72.12 C ATOM 152 O PRO A 10 1.734 9.076 9.402 1.00 22.43 O ATOM 153 CB PRO A 10 1.090 11.577 7.319 1.00 0.31 C ATOM 154 CG PRO A 10 -0.154 12.394 7.402 1.00 21.34 C ATOM 155 CD PRO A 10 -1.256 11.524 6.861 1.00 43.30 C ATOM 0 HA PRO A 10 1.206 9.395 7.007 1.00 31.54 H new ATOM 0 HB2 PRO A 10 1.818 11.886 8.069 1.00 0.31 H new ATOM 0 HB3 PRO A 10 1.570 11.684 6.346 1.00 0.31 H new ATOM 0 HG2 PRO A 10 -0.359 12.690 8.431 1.00 21.34 H new ATOM 0 HG3 PRO A 10 -0.059 13.311 6.820 1.00 21.34 H new ATOM 0 HD2 PRO A 10 -2.205 11.723 7.358 1.00 43.30 H new ATOM 0 HD3 PRO A 10 -1.413 11.691 5.795 1.00 43.30 H new ATOM 160 N HIS A 11 -0.156 10.211 9.849 1.00 1.34 N ATOM 161 CA HIS A 11 -0.122 9.920 11.278 1.00 40.44 C ATOM 162 C HIS A 11 -0.523 8.473 11.548 1.00 33.11 C ATOM 163 O HIS A 11 -0.433 7.992 12.679 1.00 60.23 O ATOM 164 CB HIS A 11 -1.051 10.869 12.036 1.00 32.22 C ATOM 165 CG HIS A 11 -0.329 11.968 12.754 1.00 14.23 C ATOM 166 ND1 HIS A 11 0.826 11.762 13.478 1.00 75.20 N ATOM 167 CD2 HIS A 11 -0.605 13.289 12.854 1.00 63.24 C ATOM 168 CE1 HIS A 11 1.229 12.909 13.994 1.00 52.21 C ATOM 169 NE2 HIS A 11 0.379 13.852 13.630 1.00 72.32 N ATOM 0 H HIS A 11 -0.950 10.779 9.553 1.00 1.34 H new ATOM 0 HA HIS A 11 0.900 10.067 11.629 1.00 40.44 H new ATOM 0 HB2 HIS A 11 -1.759 11.309 11.334 1.00 32.22 H new ATOM 0 HB3 HIS A 11 -1.633 10.295 12.758 1.00 32.22 H new ATOM 0 HD2 HIS A 11 -1.442 13.804 12.407 1.00 63.24 H new ATOM 0 HE1 HIS A 11 2.105 13.052 14.609 1.00 52.21 H new ATOM 0 HE2 HIS A 11 0.443 14.838 13.884 1.00 72.32 H new ATOM 176 N LEU A 12 -0.969 7.784 10.503 1.00 4.14 N ATOM 177 CA LEU A 12 -1.385 6.391 10.627 1.00 12.10 C ATOM 178 C LEU A 12 -0.177 5.473 10.779 1.00 31.54 C ATOM 179 O LEU A 12 0.920 5.793 10.321 1.00 23.12 O ATOM 180 CB LEU A 12 -2.207 5.974 9.406 1.00 20.13 C ATOM 181 CG LEU A 12 -3.075 4.726 9.576 1.00 71.44 C ATOM 182 CD1 LEU A 12 -4.039 4.901 10.739 1.00 50.24 C ATOM 183 CD2 LEU A 12 -3.835 4.426 8.292 1.00 62.44 C ATOM 0 H LEU A 12 -1.052 8.167 9.561 1.00 4.14 H new ATOM 0 HA LEU A 12 -2.001 6.300 11.521 1.00 12.10 H new ATOM 0 HB2 LEU A 12 -2.853 6.806 9.126 1.00 20.13 H new ATOM 0 HB3 LEU A 12 -1.524 5.807 8.573 1.00 20.13 H new ATOM 0 HG LEU A 12 -2.423 3.880 9.795 1.00 71.44 H new ATOM 0 HD11 LEU A 12 -4.648 4.003 10.845 1.00 50.24 H new ATOM 0 HD12 LEU A 12 -3.475 5.067 11.657 1.00 50.24 H new ATOM 0 HD13 LEU A 12 -4.685 5.758 10.550 1.00 50.24 H new ATOM 0 HD21 LEU A 12 -4.447 3.535 8.431 1.00 62.44 H new ATOM 0 HD22 LEU A 12 -4.476 5.271 8.043 1.00 62.44 H new ATOM 0 HD23 LEU A 12 -3.127 4.256 7.481 1.00 62.44 H new ATOM 194 N SER A 13 -0.387 4.329 11.423 1.00 71.40 N ATOM 195 CA SER A 13 0.685 3.364 11.636 1.00 61.30 C ATOM 196 C SER A 13 0.492 2.132 10.756 1.00 41.31 C ATOM 197 O SER A 13 -0.612 1.862 10.283 1.00 63.11 O ATOM 198 CB SER A 13 0.742 2.949 13.108 1.00 70.24 C ATOM 199 OG SER A 13 -0.553 2.941 13.685 1.00 63.34 O ATOM 0 H SER A 13 -1.290 4.048 11.806 1.00 71.40 H new ATOM 0 HA SER A 13 1.627 3.840 11.363 1.00 61.30 H new ATOM 0 HB2 SER A 13 1.188 1.958 13.193 1.00 70.24 H new ATOM 0 HB3 SER A 13 1.385 3.636 13.658 1.00 70.24 H new ATOM 0 HG SER A 13 -0.491 2.671 14.625 1.00 63.34 H new ATOM 204 N ARG A 14 1.573 1.390 10.542 1.00 42.23 N ATOM 205 CA ARG A 14 1.524 0.188 9.719 1.00 24.31 C ATOM 206 C ARG A 14 0.462 -0.779 10.232 1.00 20.22 C ATOM 207 O ARG A 14 -0.357 -1.283 9.464 1.00 32.50 O ATOM 208 CB ARG A 14 2.890 -0.500 9.701 1.00 42.23 C ATOM 209 CG ARG A 14 2.876 -1.866 9.035 1.00 11.13 C ATOM 210 CD ARG A 14 3.194 -2.973 10.029 1.00 74.43 C ATOM 211 NE ARG A 14 4.491 -2.776 10.670 1.00 51.04 N ATOM 212 CZ ARG A 14 5.650 -3.075 10.092 1.00 4.44 C ATOM 213 NH1 ARG A 14 5.672 -3.581 8.867 1.00 74.04 N ATOM 214 NH2 ARG A 14 6.789 -2.867 10.741 1.00 73.32 N ATOM 0 H ARG A 14 2.494 1.600 10.927 1.00 42.23 H new ATOM 0 HA ARG A 14 1.261 0.484 8.703 1.00 24.31 H new ATOM 0 HB2 ARG A 14 3.603 0.140 9.182 1.00 42.23 H new ATOM 0 HB3 ARG A 14 3.246 -0.608 10.725 1.00 42.23 H new ATOM 0 HG2 ARG A 14 1.897 -2.045 8.590 1.00 11.13 H new ATOM 0 HG3 ARG A 14 3.603 -1.884 8.223 1.00 11.13 H new ATOM 0 HD2 ARG A 14 2.415 -3.011 10.791 1.00 74.43 H new ATOM 0 HD3 ARG A 14 3.185 -3.935 9.516 1.00 74.43 H new ATOM 0 HE ARG A 14 4.509 -2.388 11.613 1.00 51.04 H new ATOM 0 HH11 ARG A 14 4.798 -3.742 8.366 1.00 74.04 H new ATOM 0 HH12 ARG A 14 6.563 -3.810 8.426 1.00 74.04 H new ATOM 0 HH21 ARG A 14 6.775 -2.478 11.684 1.00 73.32 H new ATOM 0 HH22 ARG A 14 7.678 -3.097 10.297 1.00 73.32 H new ATOM 225 N ASP A 15 0.482 -1.034 11.536 1.00 21.01 N ATOM 226 CA ASP A 15 -0.479 -1.941 12.153 1.00 51.21 C ATOM 227 C ASP A 15 -1.909 -1.494 11.866 1.00 51.42 C ATOM 228 O ASP A 15 -2.777 -2.313 11.567 1.00 73.32 O ATOM 229 CB ASP A 15 -0.247 -2.015 13.662 1.00 23.23 C ATOM 230 CG ASP A 15 -0.426 -3.418 14.208 1.00 43.44 C ATOM 231 OD1 ASP A 15 -1.362 -4.113 13.762 1.00 70.24 O ATOM 232 OD2 ASP A 15 0.369 -3.820 15.083 1.00 22.42 O ATOM 0 H ASP A 15 1.153 -0.625 12.186 1.00 21.01 H new ATOM 0 HA ASP A 15 -0.334 -2.932 11.723 1.00 51.21 H new ATOM 0 HB2 ASP A 15 0.760 -1.666 13.889 1.00 23.23 H new ATOM 0 HB3 ASP A 15 -0.939 -1.341 14.166 1.00 23.23 H new ATOM 236 N GLN A 16 -2.146 -0.190 11.962 1.00 4.30 N ATOM 237 CA GLN A 16 -3.472 0.366 11.715 1.00 63.12 C ATOM 238 C GLN A 16 -3.905 0.119 10.274 1.00 1.22 C ATOM 239 O GLN A 16 -5.058 -0.220 10.012 1.00 15.11 O ATOM 240 CB GLN A 16 -3.483 1.866 12.014 1.00 23.05 C ATOM 241 CG GLN A 16 -3.995 2.206 13.405 1.00 55.11 C ATOM 242 CD GLN A 16 -5.499 2.394 13.442 1.00 52.30 C ATOM 243 OE1 GLN A 16 -6.199 2.089 12.475 1.00 3.14 O ATOM 244 NE2 GLN A 16 -6.006 2.900 14.560 1.00 23.33 N ATOM 0 H GLN A 16 -1.438 0.501 12.209 1.00 4.30 H new ATOM 0 HA GLN A 16 -4.178 -0.134 12.378 1.00 63.12 H new ATOM 0 HB2 GLN A 16 -2.472 2.258 11.902 1.00 23.05 H new ATOM 0 HB3 GLN A 16 -4.104 2.371 11.274 1.00 23.05 H new ATOM 0 HG2 GLN A 16 -3.715 1.411 14.096 1.00 55.11 H new ATOM 0 HG3 GLN A 16 -3.510 3.117 13.754 1.00 55.11 H new ATOM 0 HE21 GLN A 16 -5.390 3.139 15.337 1.00 23.33 H new ATOM 0 HE22 GLN A 16 -7.012 3.050 14.642 1.00 23.33 H new ATOM 251 N ALA A 17 -2.973 0.292 9.343 1.00 33.52 N ATOM 252 CA ALA A 17 -3.258 0.086 7.929 1.00 53.43 C ATOM 253 C ALA A 17 -3.616 -1.369 7.646 1.00 64.23 C ATOM 254 O ALA A 17 -4.525 -1.655 6.867 1.00 63.44 O ATOM 255 CB ALA A 17 -2.068 0.514 7.082 1.00 22.43 C ATOM 0 H ALA A 17 -2.014 0.575 9.543 1.00 33.52 H new ATOM 0 HA ALA A 17 -4.118 0.701 7.665 1.00 53.43 H new ATOM 0 HB1 ALA A 17 -2.295 0.354 6.028 1.00 22.43 H new ATOM 0 HB2 ALA A 17 -1.861 1.571 7.253 1.00 22.43 H new ATOM 0 HB3 ALA A 17 -1.194 -0.076 7.358 1.00 22.43 H new ATOM 261 N ILE A 18 -2.895 -2.285 8.285 1.00 50.42 N ATOM 262 CA ILE A 18 -3.138 -3.710 8.101 1.00 5.25 C ATOM 263 C ILE A 18 -4.510 -4.107 8.635 1.00 21.42 C ATOM 264 O ILE A 18 -5.227 -4.888 8.011 1.00 40.40 O ATOM 265 CB ILE A 18 -2.061 -4.559 8.804 1.00 4.41 C ATOM 266 CG1 ILE A 18 -0.673 -4.211 8.264 1.00 70.24 C ATOM 267 CG2 ILE A 18 -2.350 -6.041 8.619 1.00 13.43 C ATOM 268 CD1 ILE A 18 0.455 -4.637 9.175 1.00 24.43 C ATOM 0 H ILE A 18 -2.139 -2.066 8.934 1.00 50.42 H new ATOM 0 HA ILE A 18 -3.099 -3.902 7.029 1.00 5.25 H new ATOM 0 HB ILE A 18 -2.082 -4.335 9.870 1.00 4.41 H new ATOM 0 HG12 ILE A 18 -0.542 -4.685 7.291 1.00 70.24 H new ATOM 0 HG13 ILE A 18 -0.614 -3.134 8.105 1.00 70.24 H new ATOM 0 HG21 ILE A 18 -1.580 -6.627 9.121 1.00 13.43 H new ATOM 0 HG22 ILE A 18 -3.324 -6.278 9.047 1.00 13.43 H new ATOM 0 HG23 ILE A 18 -2.353 -6.281 7.556 1.00 13.43 H new ATOM 0 HD11 ILE A 18 1.409 -4.358 8.728 1.00 24.43 H new ATOM 0 HD12 ILE A 18 0.349 -4.143 10.141 1.00 24.43 H new ATOM 0 HD13 ILE A 18 0.422 -5.718 9.314 1.00 24.43 H new ATOM 279 N ALA A 19 -4.868 -3.564 9.794 1.00 53.23 N ATOM 280 CA ALA A 19 -6.157 -3.857 10.409 1.00 25.43 C ATOM 281 C ALA A 19 -7.304 -3.293 9.578 1.00 5.25 C ATOM 282 O ALA A 19 -8.369 -3.903 9.477 1.00 30.35 O ATOM 283 CB ALA A 19 -6.204 -3.302 11.825 1.00 42.22 C ATOM 0 H ALA A 19 -4.284 -2.919 10.326 1.00 53.23 H new ATOM 0 HA ALA A 19 -6.274 -4.940 10.451 1.00 25.43 H new ATOM 0 HB1 ALA A 19 -7.172 -3.528 12.272 1.00 42.22 H new ATOM 0 HB2 ALA A 19 -5.413 -3.758 12.421 1.00 42.22 H new ATOM 0 HB3 ALA A 19 -6.060 -2.222 11.797 1.00 42.22 H new ATOM 289 N LEU A 20 -7.081 -2.126 8.986 1.00 74.24 N ATOM 290 CA LEU A 20 -8.097 -1.478 8.163 1.00 30.34 C ATOM 291 C LEU A 20 -8.269 -2.208 6.835 1.00 60.52 C ATOM 292 O LEU A 20 -9.360 -2.234 6.265 1.00 73.04 O ATOM 293 CB LEU A 20 -7.722 -0.018 7.911 1.00 44.32 C ATOM 294 CG LEU A 20 -8.732 1.027 8.390 1.00 74.50 C ATOM 295 CD1 LEU A 20 -8.925 0.932 9.895 1.00 71.54 C ATOM 296 CD2 LEU A 20 -8.280 2.426 7.995 1.00 75.30 C ATOM 0 H LEU A 20 -6.205 -1.608 9.060 1.00 74.24 H new ATOM 0 HA LEU A 20 -9.044 -1.515 8.702 1.00 30.34 H new ATOM 0 HB2 LEU A 20 -6.767 0.180 8.397 1.00 44.32 H new ATOM 0 HB3 LEU A 20 -7.569 0.117 6.840 1.00 44.32 H new ATOM 0 HG LEU A 20 -9.689 0.827 7.909 1.00 74.50 H new ATOM 0 HD11 LEU A 20 -9.647 1.683 10.217 1.00 71.54 H new ATOM 0 HD12 LEU A 20 -9.294 -0.061 10.153 1.00 71.54 H new ATOM 0 HD13 LEU A 20 -7.972 1.106 10.396 1.00 71.54 H new ATOM 0 HD21 LEU A 20 -9.010 3.156 8.344 1.00 75.30 H new ATOM 0 HD22 LEU A 20 -7.311 2.637 8.448 1.00 75.30 H new ATOM 0 HD23 LEU A 20 -8.195 2.488 6.910 1.00 75.30 H new ATOM 307 N LEU A 21 -7.185 -2.803 6.348 1.00 4.31 N ATOM 308 CA LEU A 21 -7.215 -3.535 5.087 1.00 23.13 C ATOM 309 C LEU A 21 -7.885 -4.895 5.264 1.00 45.21 C ATOM 310 O LEU A 21 -8.658 -5.334 4.412 1.00 62.43 O ATOM 311 CB LEU A 21 -5.796 -3.720 4.548 1.00 62.40 C ATOM 312 CG LEU A 21 -5.159 -2.489 3.902 1.00 65.52 C ATOM 313 CD1 LEU A 21 -3.747 -2.805 3.429 1.00 12.01 C ATOM 314 CD2 LEU A 21 -6.012 -1.991 2.745 1.00 41.23 C ATOM 0 H LEU A 21 -6.275 -2.793 6.808 1.00 4.31 H new ATOM 0 HA LEU A 21 -7.796 -2.954 4.371 1.00 23.13 H new ATOM 0 HB2 LEU A 21 -5.157 -4.047 5.368 1.00 62.40 H new ATOM 0 HB3 LEU A 21 -5.810 -4.525 3.814 1.00 62.40 H new ATOM 0 HG LEU A 21 -5.102 -1.699 4.650 1.00 65.52 H new ATOM 0 HD11 LEU A 21 -3.309 -1.918 2.972 1.00 12.01 H new ATOM 0 HD12 LEU A 21 -3.139 -3.113 4.280 1.00 12.01 H new ATOM 0 HD13 LEU A 21 -3.781 -3.611 2.696 1.00 12.01 H new ATOM 0 HD21 LEU A 21 -5.543 -1.115 2.298 1.00 41.23 H new ATOM 0 HD22 LEU A 21 -6.102 -2.777 1.995 1.00 41.23 H new ATOM 0 HD23 LEU A 21 -7.003 -1.724 3.112 1.00 41.23 H new ATOM 325 N LYS A 22 -7.585 -5.556 6.376 1.00 0.31 N ATOM 326 CA LYS A 22 -8.160 -6.864 6.668 1.00 42.40 C ATOM 327 C LYS A 22 -9.626 -6.736 7.070 1.00 21.15 C ATOM 328 O LYS A 22 -10.330 -7.736 7.212 1.00 24.40 O ATOM 329 CB LYS A 22 -7.372 -7.553 7.785 1.00 42.11 C ATOM 330 CG LYS A 22 -7.663 -6.995 9.168 1.00 21.42 C ATOM 331 CD LYS A 22 -6.879 -7.732 10.240 1.00 3.53 C ATOM 332 CE LYS A 22 -7.771 -8.673 11.035 1.00 35.41 C ATOM 333 NZ LYS A 22 -8.742 -7.933 11.886 1.00 2.33 N ATOM 0 H LYS A 22 -6.946 -5.207 7.091 1.00 0.31 H new ATOM 0 HA LYS A 22 -8.101 -7.469 5.764 1.00 42.40 H new ATOM 0 HB2 LYS A 22 -7.602 -8.618 7.776 1.00 42.11 H new ATOM 0 HB3 LYS A 22 -6.306 -7.455 7.580 1.00 42.11 H new ATOM 0 HG2 LYS A 22 -7.411 -5.935 9.195 1.00 21.42 H new ATOM 0 HG3 LYS A 22 -8.730 -7.074 9.377 1.00 21.42 H new ATOM 0 HD2 LYS A 22 -6.072 -8.299 9.777 1.00 3.53 H new ATOM 0 HD3 LYS A 22 -6.416 -7.011 10.914 1.00 3.53 H new ATOM 0 HE2 LYS A 22 -8.313 -9.325 10.350 1.00 35.41 H new ATOM 0 HE3 LYS A 22 -7.153 -9.314 11.663 1.00 35.41 H new ATOM 0 HZ1 LYS A 22 -9.074 -8.552 12.653 1.00 2.33 H new ATOM 0 HZ2 LYS A 22 -8.279 -7.096 12.293 1.00 2.33 H new ATOM 0 HZ3 LYS A 22 -9.553 -7.633 11.308 1.00 2.33 H new ATOM 343 N ASP A 23 -10.080 -5.501 7.252 1.00 73.33 N ATOM 344 CA ASP A 23 -11.463 -5.243 7.634 1.00 42.33 C ATOM 345 C ASP A 23 -12.238 -4.613 6.481 1.00 43.43 C ATOM 346 O ASP A 23 -13.420 -4.297 6.613 1.00 41.14 O ATOM 347 CB ASP A 23 -11.513 -4.328 8.859 1.00 3.21 C ATOM 348 CG ASP A 23 -12.763 -4.541 9.690 1.00 10.42 C ATOM 349 OD1 ASP A 23 -12.944 -5.661 10.213 1.00 33.03 O ATOM 350 OD2 ASP A 23 -13.559 -3.589 9.818 1.00 43.33 O ATOM 0 H ASP A 23 -9.510 -4.662 7.141 1.00 73.33 H new ATOM 0 HA ASP A 23 -11.929 -6.196 7.882 1.00 42.33 H new ATOM 0 HB2 ASP A 23 -10.634 -4.506 9.478 1.00 3.21 H new ATOM 0 HB3 ASP A 23 -11.469 -3.288 8.534 1.00 3.21 H new ATOM 354 N LYS A 24 -11.563 -4.432 5.352 1.00 54.34 N ATOM 355 CA LYS A 24 -12.187 -3.839 4.174 1.00 73.20 C ATOM 356 C LYS A 24 -12.141 -4.802 2.992 1.00 14.10 C ATOM 357 O LYS A 24 -11.545 -5.875 3.076 1.00 70.44 O ATOM 358 CB LYS A 24 -11.487 -2.529 3.806 1.00 72.45 C ATOM 359 CG LYS A 24 -11.740 -1.405 4.795 1.00 4.43 C ATOM 360 CD LYS A 24 -13.027 -0.663 4.481 1.00 50.21 C ATOM 361 CE LYS A 24 -13.539 0.105 5.690 1.00 3.03 C ATOM 362 NZ LYS A 24 -14.965 -0.209 5.985 1.00 21.52 N ATOM 0 H LYS A 24 -10.583 -4.687 5.227 1.00 54.34 H new ATOM 0 HA LYS A 24 -13.231 -3.632 4.411 1.00 73.20 H new ATOM 0 HB2 LYS A 24 -10.414 -2.707 3.738 1.00 72.45 H new ATOM 0 HB3 LYS A 24 -11.821 -2.214 2.817 1.00 72.45 H new ATOM 0 HG2 LYS A 24 -11.792 -1.813 5.805 1.00 4.43 H new ATOM 0 HG3 LYS A 24 -10.903 -0.707 4.775 1.00 4.43 H new ATOM 0 HD2 LYS A 24 -12.857 0.028 3.655 1.00 50.21 H new ATOM 0 HD3 LYS A 24 -13.786 -1.373 4.152 1.00 50.21 H new ATOM 0 HE2 LYS A 24 -12.927 -0.136 6.559 1.00 3.03 H new ATOM 0 HE3 LYS A 24 -13.432 1.175 5.512 1.00 3.03 H new ATOM 0 HZ1 LYS A 24 -15.276 0.334 6.816 1.00 21.52 H new ATOM 0 HZ2 LYS A 24 -15.553 0.045 5.166 1.00 21.52 H new ATOM 0 HZ3 LYS A 24 -15.063 -1.226 6.180 1.00 21.52 H new ATOM 372 N ASP A 25 -12.773 -4.410 1.891 1.00 52.42 N ATOM 373 CA ASP A 25 -12.804 -5.237 0.691 1.00 63.22 C ATOM 374 C ASP A 25 -11.399 -5.422 0.124 1.00 21.13 C ATOM 375 O ASP A 25 -10.492 -4.629 0.376 1.00 22.24 O ATOM 376 CB ASP A 25 -13.715 -4.609 -0.365 1.00 30.54 C ATOM 377 CG ASP A 25 -15.163 -5.024 -0.201 1.00 33.51 C ATOM 378 OD1 ASP A 25 -15.699 -4.875 0.917 1.00 34.20 O ATOM 379 OD2 ASP A 25 -15.760 -5.499 -1.190 1.00 12.34 O ATOM 0 H ASP A 25 -13.271 -3.524 1.805 1.00 52.42 H new ATOM 0 HA ASP A 25 -13.199 -6.216 0.964 1.00 63.22 H new ATOM 0 HB2 ASP A 25 -13.642 -3.523 -0.304 1.00 30.54 H new ATOM 0 HB3 ASP A 25 -13.368 -4.897 -1.357 1.00 30.54 H new ATOM 383 N PRO A 26 -11.214 -6.495 -0.661 1.00 5.34 N ATOM 384 CA PRO A 26 -9.923 -6.810 -1.278 1.00 63.53 C ATOM 385 C PRO A 26 -9.550 -5.820 -2.377 1.00 21.35 C ATOM 386 O PRO A 26 -10.419 -5.249 -3.033 1.00 72.31 O ATOM 387 CB PRO A 26 -10.142 -8.206 -1.868 1.00 41.33 C ATOM 388 CG PRO A 26 -11.612 -8.292 -2.098 1.00 2.21 C ATOM 389 CD PRO A 26 -12.250 -7.483 -1.003 1.00 53.34 C ATOM 0 HA PRO A 26 -9.105 -6.760 -0.560 1.00 63.53 H new ATOM 0 HB2 PRO A 26 -9.587 -8.335 -2.797 1.00 41.33 H new ATOM 0 HB3 PRO A 26 -9.802 -8.983 -1.184 1.00 41.33 H new ATOM 0 HG2 PRO A 26 -11.877 -7.898 -3.079 1.00 2.21 H new ATOM 0 HG3 PRO A 26 -11.952 -9.327 -2.067 1.00 2.21 H new ATOM 0 HD2 PRO A 26 -13.168 -7.002 -1.341 1.00 53.34 H new ATOM 0 HD3 PRO A 26 -12.512 -8.103 -0.146 1.00 53.34 H new ATOM 394 N GLY A 27 -8.249 -5.622 -2.573 1.00 33.12 N ATOM 395 CA GLY A 27 -7.784 -4.702 -3.593 1.00 62.44 C ATOM 396 C GLY A 27 -7.564 -3.302 -3.054 1.00 64.42 C ATOM 397 O GLY A 27 -6.872 -2.494 -3.673 1.00 71.25 O ATOM 0 H GLY A 27 -7.510 -6.083 -2.043 1.00 33.12 H new ATOM 0 HA2 GLY A 27 -6.852 -5.075 -4.017 1.00 62.44 H new ATOM 0 HA3 GLY A 27 -8.511 -4.666 -4.404 1.00 62.44 H new ATOM 401 N ALA A 28 -8.152 -3.015 -1.898 1.00 31.22 N ATOM 402 CA ALA A 28 -8.016 -1.705 -1.276 1.00 50.45 C ATOM 403 C ALA A 28 -6.603 -1.494 -0.743 1.00 51.31 C ATOM 404 O ALA A 28 -5.930 -2.446 -0.346 1.00 53.21 O ATOM 405 CB ALA A 28 -9.034 -1.542 -0.157 1.00 21.32 C ATOM 0 H ALA A 28 -8.728 -3.673 -1.373 1.00 31.22 H new ATOM 0 HA ALA A 28 -8.206 -0.948 -2.037 1.00 50.45 H new ATOM 0 HB1 ALA A 28 -8.920 -0.558 0.298 1.00 21.32 H new ATOM 0 HB2 ALA A 28 -10.041 -1.639 -0.564 1.00 21.32 H new ATOM 0 HB3 ALA A 28 -8.872 -2.312 0.597 1.00 21.32 H new ATOM 411 N PHE A 29 -6.158 -0.241 -0.737 1.00 30.14 N ATOM 412 CA PHE A 29 -4.823 0.094 -0.254 1.00 12.53 C ATOM 413 C PHE A 29 -4.856 1.355 0.604 1.00 43.53 C ATOM 414 O PHE A 29 -5.866 2.061 0.652 1.00 63.42 O ATOM 415 CB PHE A 29 -3.866 0.287 -1.431 1.00 4.31 C ATOM 416 CG PHE A 29 -4.142 1.529 -2.230 1.00 33.23 C ATOM 417 CD1 PHE A 29 -5.273 1.618 -3.025 1.00 53.14 C ATOM 418 CD2 PHE A 29 -3.272 2.605 -2.187 1.00 33.51 C ATOM 419 CE1 PHE A 29 -5.531 2.758 -3.763 1.00 70.04 C ATOM 420 CE2 PHE A 29 -3.525 3.748 -2.921 1.00 62.24 C ATOM 421 CZ PHE A 29 -4.655 3.824 -3.711 1.00 42.10 C ATOM 0 H PHE A 29 -6.702 0.559 -1.061 1.00 30.14 H new ATOM 0 HA PHE A 29 -4.468 -0.732 0.361 1.00 12.53 H new ATOM 0 HB2 PHE A 29 -2.844 0.326 -1.055 1.00 4.31 H new ATOM 0 HB3 PHE A 29 -3.931 -0.580 -2.088 1.00 4.31 H new ATOM 0 HD1 PHE A 29 -5.961 0.787 -3.069 1.00 53.14 H new ATOM 0 HD2 PHE A 29 -2.385 2.550 -1.573 1.00 33.51 H new ATOM 0 HE1 PHE A 29 -6.416 2.815 -4.379 1.00 70.04 H new ATOM 0 HE2 PHE A 29 -2.839 4.581 -2.877 1.00 62.24 H new ATOM 0 HZ PHE A 29 -4.853 4.716 -4.287 1.00 42.10 H new ATOM 430 N LEU A 30 -3.747 1.634 1.279 1.00 52.31 N ATOM 431 CA LEU A 30 -3.647 2.810 2.135 1.00 43.44 C ATOM 432 C LEU A 30 -2.212 3.324 2.190 1.00 4.42 C ATOM 433 O LEU A 30 -1.260 2.545 2.117 1.00 53.02 O ATOM 434 CB LEU A 30 -4.138 2.482 3.546 1.00 4.45 C ATOM 435 CG LEU A 30 -3.917 3.565 4.603 1.00 11.11 C ATOM 436 CD1 LEU A 30 -5.158 3.730 5.466 1.00 43.21 C ATOM 437 CD2 LEU A 30 -2.707 3.230 5.464 1.00 42.30 C ATOM 0 H LEU A 30 -2.904 1.061 1.250 1.00 52.31 H new ATOM 0 HA LEU A 30 -4.277 3.592 1.711 1.00 43.44 H new ATOM 0 HB2 LEU A 30 -5.205 2.264 3.496 1.00 4.45 H new ATOM 0 HB3 LEU A 30 -3.641 1.571 3.879 1.00 4.45 H new ATOM 0 HG LEU A 30 -3.726 4.510 4.094 1.00 11.11 H new ATOM 0 HD11 LEU A 30 -4.982 4.505 6.212 1.00 43.21 H new ATOM 0 HD12 LEU A 30 -6.002 4.016 4.838 1.00 43.21 H new ATOM 0 HD13 LEU A 30 -5.381 2.788 5.967 1.00 43.21 H new ATOM 0 HD21 LEU A 30 -2.564 4.011 6.211 1.00 42.30 H new ATOM 0 HD22 LEU A 30 -2.869 2.275 5.964 1.00 42.30 H new ATOM 0 HD23 LEU A 30 -1.820 3.164 4.834 1.00 42.30 H new ATOM 448 N ILE A 31 -2.063 4.638 2.324 1.00 32.33 N ATOM 449 CA ILE A 31 -0.745 5.254 2.392 1.00 21.51 C ATOM 450 C ILE A 31 -0.493 5.864 3.767 1.00 52.33 C ATOM 451 O ILE A 31 -1.386 6.469 4.361 1.00 72.45 O ATOM 452 CB ILE A 31 -0.577 6.346 1.320 1.00 31.32 C ATOM 453 CG1 ILE A 31 -0.808 5.762 -0.076 1.00 3.34 C ATOM 454 CG2 ILE A 31 0.806 6.973 1.414 1.00 43.24 C ATOM 455 CD1 ILE A 31 -1.037 6.811 -1.140 1.00 10.31 C ATOM 0 H ILE A 31 -2.840 5.296 2.388 1.00 32.33 H new ATOM 0 HA ILE A 31 -0.018 4.463 2.209 1.00 21.51 H new ATOM 0 HB ILE A 31 -1.320 7.123 1.496 1.00 31.32 H new ATOM 0 HG12 ILE A 31 0.054 5.156 -0.355 1.00 3.34 H new ATOM 0 HG13 ILE A 31 -1.669 5.095 -0.044 1.00 3.34 H new ATOM 0 HG21 ILE A 31 0.909 7.743 0.650 1.00 43.24 H new ATOM 0 HG22 ILE A 31 0.937 7.420 2.399 1.00 43.24 H new ATOM 0 HG23 ILE A 31 1.565 6.206 1.260 1.00 43.24 H new ATOM 0 HD11 ILE A 31 -1.193 6.325 -2.103 1.00 10.31 H new ATOM 0 HD12 ILE A 31 -1.917 7.402 -0.885 1.00 10.31 H new ATOM 0 HD13 ILE A 31 -0.166 7.464 -1.201 1.00 10.31 H new ATOM 466 N ARG A 32 0.727 5.702 4.266 1.00 62.02 N ATOM 467 CA ARG A 32 1.097 6.238 5.571 1.00 12.41 C ATOM 468 C ARG A 32 2.507 6.819 5.541 1.00 2.31 C ATOM 469 O ARG A 32 3.281 6.548 4.624 1.00 32.41 O ATOM 470 CB ARG A 32 1.006 5.146 6.638 1.00 13.32 C ATOM 471 CG ARG A 32 2.143 4.139 6.579 1.00 70.14 C ATOM 472 CD ARG A 32 1.824 2.890 7.386 1.00 41.22 C ATOM 473 NE ARG A 32 3.021 2.310 7.990 1.00 15.45 N ATOM 474 CZ ARG A 32 3.708 2.892 8.966 1.00 63.44 C ATOM 475 NH1 ARG A 32 3.321 4.066 9.445 1.00 0.23 N ATOM 476 NH2 ARG A 32 4.787 2.301 9.463 1.00 20.11 N ATOM 0 H ARG A 32 1.477 5.204 3.787 1.00 62.02 H new ATOM 0 HA ARG A 32 0.399 7.038 5.819 1.00 12.41 H new ATOM 0 HB2 ARG A 32 0.996 5.613 7.623 1.00 13.32 H new ATOM 0 HB3 ARG A 32 0.059 4.618 6.526 1.00 13.32 H new ATOM 0 HG2 ARG A 32 2.334 3.864 5.542 1.00 70.14 H new ATOM 0 HG3 ARG A 32 3.056 4.597 6.960 1.00 70.14 H new ATOM 0 HD2 ARG A 32 1.106 3.137 8.168 1.00 41.22 H new ATOM 0 HD3 ARG A 32 1.350 2.152 6.740 1.00 41.22 H new ATOM 0 HE ARG A 32 3.347 1.408 7.643 1.00 15.45 H new ATOM 0 HH11 ARG A 32 2.493 4.525 9.064 1.00 0.23 H new ATOM 0 HH12 ARG A 32 3.851 4.511 10.195 1.00 0.23 H new ATOM 0 HH21 ARG A 32 5.089 1.399 9.095 1.00 20.11 H new ATOM 0 HH22 ARG A 32 5.314 2.749 10.213 1.00 20.11 H new ATOM 487 N ASP A 33 2.833 7.619 6.551 1.00 70.54 N ATOM 488 CA ASP A 33 4.151 8.238 6.640 1.00 1.32 C ATOM 489 C ASP A 33 5.206 7.213 7.046 1.00 43.33 C ATOM 490 O ASP A 33 5.120 6.610 8.116 1.00 23.40 O ATOM 491 CB ASP A 33 4.128 9.391 7.644 1.00 2.45 C ATOM 492 CG ASP A 33 5.406 10.207 7.618 1.00 12.31 C ATOM 493 OD1 ASP A 33 6.091 10.202 6.574 1.00 50.43 O ATOM 494 OD2 ASP A 33 5.719 10.850 8.641 1.00 65.33 O ATOM 0 H ASP A 33 2.204 7.854 7.319 1.00 70.54 H new ATOM 0 HA ASP A 33 4.410 8.629 5.656 1.00 1.32 H new ATOM 0 HB2 ASP A 33 3.281 10.041 7.427 1.00 2.45 H new ATOM 0 HB3 ASP A 33 3.975 8.993 8.647 1.00 2.45 H new ATOM 498 N SER A 34 6.199 7.021 6.184 1.00 0.32 N ATOM 499 CA SER A 34 7.268 6.066 6.451 1.00 21.10 C ATOM 500 C SER A 34 8.456 6.753 7.118 1.00 22.43 C ATOM 501 O SER A 34 9.348 7.271 6.445 1.00 20.23 O ATOM 502 CB SER A 34 7.717 5.395 5.151 1.00 41.43 C ATOM 503 OG SER A 34 8.120 4.056 5.381 1.00 4.43 O ATOM 0 H SER A 34 6.286 7.514 5.295 1.00 0.32 H new ATOM 0 HA SER A 34 6.882 5.306 7.130 1.00 21.10 H new ATOM 0 HB2 SER A 34 6.901 5.414 4.428 1.00 41.43 H new ATOM 0 HB3 SER A 34 8.543 5.957 4.714 1.00 41.43 H new ATOM 0 HG SER A 34 8.401 3.649 4.535 1.00 4.43 H new ATOM 508 N HIS A 35 8.461 6.754 8.448 1.00 33.42 N ATOM 509 CA HIS A 35 9.539 7.375 9.208 1.00 41.24 C ATOM 510 C HIS A 35 10.805 6.526 9.150 1.00 1.14 C ATOM 511 O HIS A 35 11.884 6.974 9.537 1.00 44.34 O ATOM 512 CB HIS A 35 9.114 7.580 10.662 1.00 14.44 C ATOM 513 CG HIS A 35 9.243 8.997 11.130 1.00 4.15 C ATOM 514 ND1 HIS A 35 10.393 9.741 10.968 1.00 2.44 N ATOM 515 CD2 HIS A 35 8.358 9.805 11.758 1.00 45.43 C ATOM 516 CE1 HIS A 35 10.210 10.946 11.477 1.00 10.35 C ATOM 517 NE2 HIS A 35 8.983 11.011 11.962 1.00 44.40 N ATOM 0 H HIS A 35 7.730 6.332 9.021 1.00 33.42 H new ATOM 0 HA HIS A 35 9.753 8.345 8.760 1.00 41.24 H new ATOM 0 HB2 HIS A 35 8.078 7.261 10.778 1.00 14.44 H new ATOM 0 HB3 HIS A 35 9.719 6.938 11.303 1.00 14.44 H new ATOM 0 HD2 HIS A 35 7.349 9.549 12.045 1.00 45.43 H new ATOM 0 HE1 HIS A 35 10.939 11.742 11.494 1.00 10.35 H new ATOM 0 HE2 HIS A 35 8.567 11.825 12.415 1.00 44.40 H new ATOM 524 N SER A 36 10.665 5.296 8.666 1.00 71.33 N ATOM 525 CA SER A 36 11.797 4.382 8.562 1.00 53.22 C ATOM 526 C SER A 36 12.959 5.037 7.820 1.00 15.51 C ATOM 527 O SER A 36 14.101 5.002 8.278 1.00 33.41 O ATOM 528 CB SER A 36 11.378 3.098 7.843 1.00 14.43 C ATOM 529 OG SER A 36 10.799 2.173 8.747 1.00 4.23 O ATOM 0 H SER A 36 9.779 4.909 8.340 1.00 71.33 H new ATOM 0 HA SER A 36 12.126 4.135 9.571 1.00 53.22 H new ATOM 0 HB2 SER A 36 10.664 3.336 7.054 1.00 14.43 H new ATOM 0 HB3 SER A 36 12.246 2.647 7.362 1.00 14.43 H new ATOM 0 HG SER A 36 10.538 1.362 8.263 1.00 4.23 H new ATOM 534 N PHE A 37 12.657 5.635 6.673 1.00 40.12 N ATOM 535 CA PHE A 37 13.676 6.298 5.866 1.00 40.41 C ATOM 536 C PHE A 37 13.143 7.605 5.286 1.00 73.13 C ATOM 537 O PHE A 37 11.950 7.734 5.014 1.00 72.15 O ATOM 538 CB PHE A 37 14.141 5.378 4.737 1.00 34.44 C ATOM 539 CG PHE A 37 15.597 5.015 4.820 1.00 43.23 C ATOM 540 CD1 PHE A 37 16.567 5.876 4.331 1.00 11.32 C ATOM 541 CD2 PHE A 37 15.995 3.816 5.388 1.00 74.23 C ATOM 542 CE1 PHE A 37 17.907 5.546 4.407 1.00 35.54 C ATOM 543 CE2 PHE A 37 17.333 3.481 5.466 1.00 32.21 C ATOM 544 CZ PHE A 37 18.290 4.347 4.975 1.00 20.31 C ATOM 0 H PHE A 37 11.716 5.675 6.281 1.00 40.12 H new ATOM 0 HA PHE A 37 14.524 6.526 6.511 1.00 40.41 H new ATOM 0 HB2 PHE A 37 13.546 4.465 4.755 1.00 34.44 H new ATOM 0 HB3 PHE A 37 13.950 5.865 3.781 1.00 34.44 H new ATOM 0 HD1 PHE A 37 16.273 6.815 3.886 1.00 11.32 H new ATOM 0 HD2 PHE A 37 15.251 3.135 5.774 1.00 74.23 H new ATOM 0 HE1 PHE A 37 18.654 6.225 4.023 1.00 35.54 H new ATOM 0 HE2 PHE A 37 17.630 2.543 5.911 1.00 32.21 H new ATOM 0 HZ PHE A 37 19.336 4.087 5.035 1.00 20.31 H new ATOM 553 N GLN A 38 14.038 8.571 5.098 1.00 34.34 N ATOM 554 CA GLN A 38 13.658 9.868 4.551 1.00 12.32 C ATOM 555 C GLN A 38 13.093 9.720 3.142 1.00 32.13 C ATOM 556 O GLN A 38 13.534 8.868 2.372 1.00 24.41 O ATOM 557 CB GLN A 38 14.862 10.810 4.534 1.00 10.23 C ATOM 558 CG GLN A 38 15.230 11.352 5.906 1.00 52.41 C ATOM 559 CD GLN A 38 16.187 12.526 5.832 1.00 1.22 C ATOM 560 OE1 GLN A 38 15.783 13.681 5.967 1.00 44.32 O ATOM 561 NE2 GLN A 38 17.465 12.234 5.618 1.00 52.13 N ATOM 0 H GLN A 38 15.030 8.479 5.316 1.00 34.34 H new ATOM 0 HA GLN A 38 12.884 10.291 5.191 1.00 12.32 H new ATOM 0 HB2 GLN A 38 15.720 10.282 4.119 1.00 10.23 H new ATOM 0 HB3 GLN A 38 14.649 11.646 3.867 1.00 10.23 H new ATOM 0 HG2 GLN A 38 14.323 11.660 6.426 1.00 52.41 H new ATOM 0 HG3 GLN A 38 15.682 10.556 6.498 1.00 52.41 H new ATOM 0 HE21 GLN A 38 17.755 11.262 5.512 1.00 52.13 H new ATOM 0 HE22 GLN A 38 18.156 12.982 5.560 1.00 52.13 H new ATOM 568 N GLY A 39 12.114 10.556 2.811 1.00 74.33 N ATOM 569 CA GLY A 39 11.505 10.501 1.495 1.00 13.24 C ATOM 570 C GLY A 39 10.953 9.128 1.168 1.00 13.33 C ATOM 571 O GLY A 39 11.093 8.647 0.044 1.00 30.14 O ATOM 0 H GLY A 39 11.732 11.270 3.431 1.00 74.33 H new ATOM 0 HA2 GLY A 39 10.701 11.235 1.439 1.00 13.24 H new ATOM 0 HA3 GLY A 39 12.244 10.780 0.744 1.00 13.24 H new ATOM 575 N ALA A 40 10.325 8.494 2.153 1.00 24.20 N ATOM 576 CA ALA A 40 9.750 7.168 1.965 1.00 74.54 C ATOM 577 C ALA A 40 8.295 7.131 2.418 1.00 31.10 C ATOM 578 O ALA A 40 7.931 7.748 3.419 1.00 52.41 O ATOM 579 CB ALA A 40 10.566 6.127 2.716 1.00 22.04 C ATOM 0 H ALA A 40 10.202 8.878 3.090 1.00 24.20 H new ATOM 0 HA ALA A 40 9.777 6.935 0.900 1.00 74.54 H new ATOM 0 HB1 ALA A 40 10.125 5.142 2.566 1.00 22.04 H new ATOM 0 HB2 ALA A 40 11.589 6.127 2.341 1.00 22.04 H new ATOM 0 HB3 ALA A 40 10.569 6.365 3.780 1.00 22.04 H new ATOM 585 N TYR A 41 7.468 6.404 1.675 1.00 51.41 N ATOM 586 CA TYR A 41 6.051 6.289 1.999 1.00 14.52 C ATOM 587 C TYR A 41 5.639 4.826 2.132 1.00 5.44 C ATOM 588 O TYR A 41 5.992 3.992 1.301 1.00 53.12 O ATOM 589 CB TYR A 41 5.203 6.973 0.926 1.00 54.44 C ATOM 590 CG TYR A 41 5.236 8.483 0.998 1.00 2.33 C ATOM 591 CD1 TYR A 41 6.358 9.194 0.589 1.00 32.42 C ATOM 592 CD2 TYR A 41 4.146 9.199 1.475 1.00 40.40 C ATOM 593 CE1 TYR A 41 6.393 10.573 0.655 1.00 12.03 C ATOM 594 CE2 TYR A 41 4.170 10.579 1.543 1.00 61.52 C ATOM 595 CZ TYR A 41 5.297 11.261 1.132 1.00 21.10 C ATOM 596 OH TYR A 41 5.328 12.636 1.197 1.00 14.23 O ATOM 0 H TYR A 41 7.754 5.886 0.845 1.00 51.41 H new ATOM 0 HA TYR A 41 5.883 6.784 2.956 1.00 14.52 H new ATOM 0 HB2 TYR A 41 5.552 6.657 -0.057 1.00 54.44 H new ATOM 0 HB3 TYR A 41 4.171 6.636 1.021 1.00 54.44 H new ATOM 0 HD1 TYR A 41 7.217 8.659 0.213 1.00 32.42 H new ATOM 0 HD2 TYR A 41 3.263 8.668 1.799 1.00 40.40 H new ATOM 0 HE1 TYR A 41 7.274 11.110 0.335 1.00 12.03 H new ATOM 0 HE2 TYR A 41 3.313 11.120 1.915 1.00 61.52 H new ATOM 0 HH TYR A 41 4.477 12.966 1.554 1.00 14.23 H new ATOM 605 N GLY A 42 4.887 4.523 3.188 1.00 62.35 N ATOM 606 CA GLY A 42 4.439 3.162 3.413 1.00 60.42 C ATOM 607 C GLY A 42 3.141 2.853 2.693 1.00 74.24 C ATOM 608 O GLY A 42 2.104 3.450 2.984 1.00 54.53 O ATOM 0 H GLY A 42 4.581 5.197 3.890 1.00 62.35 H new ATOM 0 HA2 GLY A 42 5.211 2.469 3.078 1.00 60.42 H new ATOM 0 HA3 GLY A 42 4.306 2.999 4.482 1.00 60.42 H new ATOM 612 N LEU A 43 3.197 1.919 1.750 1.00 52.44 N ATOM 613 CA LEU A 43 2.016 1.533 0.984 1.00 23.20 C ATOM 614 C LEU A 43 1.551 0.133 1.371 1.00 3.35 C ATOM 615 O LEU A 43 2.326 -0.821 1.334 1.00 14.24 O ATOM 616 CB LEU A 43 2.316 1.587 -0.515 1.00 60.10 C ATOM 617 CG LEU A 43 1.201 1.100 -1.440 1.00 53.43 C ATOM 618 CD1 LEU A 43 0.185 2.206 -1.681 1.00 40.34 C ATOM 619 CD2 LEU A 43 1.778 0.607 -2.759 1.00 44.14 C ATOM 0 H LEU A 43 4.047 1.415 1.497 1.00 52.44 H new ATOM 0 HA LEU A 43 1.217 2.238 1.214 1.00 23.20 H new ATOM 0 HB2 LEU A 43 2.557 2.616 -0.780 1.00 60.10 H new ATOM 0 HB3 LEU A 43 3.208 0.991 -0.708 1.00 60.10 H new ATOM 0 HG LEU A 43 0.692 0.267 -0.955 1.00 53.43 H new ATOM 0 HD11 LEU A 43 -0.601 1.840 -2.342 1.00 40.34 H new ATOM 0 HD12 LEU A 43 -0.253 2.511 -0.731 1.00 40.34 H new ATOM 0 HD13 LEU A 43 0.680 3.060 -2.144 1.00 40.34 H new ATOM 0 HD21 LEU A 43 0.969 0.264 -3.404 1.00 44.14 H new ATOM 0 HD22 LEU A 43 2.313 1.421 -3.249 1.00 44.14 H new ATOM 0 HD23 LEU A 43 2.465 -0.217 -2.570 1.00 44.14 H new ATOM 630 N ALA A 44 0.279 0.020 1.741 1.00 20.45 N ATOM 631 CA ALA A 44 -0.291 -1.265 2.130 1.00 25.22 C ATOM 632 C ALA A 44 -1.422 -1.670 1.192 1.00 41.32 C ATOM 633 O ALA A 44 -2.253 -0.844 0.811 1.00 72.44 O ATOM 634 CB ALA A 44 -0.789 -1.207 3.566 1.00 3.43 C ATOM 0 H ALA A 44 -0.375 0.801 1.780 1.00 20.45 H new ATOM 0 HA ALA A 44 0.493 -2.019 2.058 1.00 25.22 H new ATOM 0 HB1 ALA A 44 -1.212 -2.172 3.844 1.00 3.43 H new ATOM 0 HB2 ALA A 44 0.042 -0.971 4.230 1.00 3.43 H new ATOM 0 HB3 ALA A 44 -1.555 -0.436 3.655 1.00 3.43 H new ATOM 640 N LEU A 45 -1.450 -2.946 0.822 1.00 4.10 N ATOM 641 CA LEU A 45 -2.480 -3.461 -0.072 1.00 74.32 C ATOM 642 C LEU A 45 -3.064 -4.764 0.463 1.00 51.21 C ATOM 643 O LEU A 45 -2.344 -5.607 0.998 1.00 70.14 O ATOM 644 CB LEU A 45 -1.903 -3.684 -1.472 1.00 31.02 C ATOM 645 CG LEU A 45 -2.813 -4.406 -2.466 1.00 74.11 C ATOM 646 CD1 LEU A 45 -4.174 -3.732 -2.531 1.00 1.42 C ATOM 647 CD2 LEU A 45 -2.171 -4.447 -3.845 1.00 21.23 C ATOM 0 H LEU A 45 -0.771 -3.643 1.128 1.00 4.10 H new ATOM 0 HA LEU A 45 -3.280 -2.722 -0.128 1.00 74.32 H new ATOM 0 HB2 LEU A 45 -1.637 -2.714 -1.892 1.00 31.02 H new ATOM 0 HB3 LEU A 45 -0.979 -4.254 -1.376 1.00 31.02 H new ATOM 0 HG LEU A 45 -2.953 -5.431 -2.121 1.00 74.11 H new ATOM 0 HD11 LEU A 45 -4.808 -4.260 -3.244 1.00 1.42 H new ATOM 0 HD12 LEU A 45 -4.639 -3.755 -1.545 1.00 1.42 H new ATOM 0 HD13 LEU A 45 -4.053 -2.697 -2.851 1.00 1.42 H new ATOM 0 HD21 LEU A 45 -2.833 -4.965 -4.539 1.00 21.23 H new ATOM 0 HD22 LEU A 45 -2.000 -3.430 -4.197 1.00 21.23 H new ATOM 0 HD23 LEU A 45 -1.220 -4.976 -3.788 1.00 21.23 H new ATOM 658 N LYS A 46 -4.375 -4.924 0.313 1.00 13.41 N ATOM 659 CA LYS A 46 -5.058 -6.126 0.777 1.00 23.44 C ATOM 660 C LYS A 46 -5.290 -7.099 -0.374 1.00 13.30 C ATOM 661 O LYS A 46 -5.746 -6.708 -1.448 1.00 63.33 O ATOM 662 CB LYS A 46 -6.394 -5.759 1.427 1.00 71.13 C ATOM 663 CG LYS A 46 -6.849 -6.750 2.484 1.00 33.53 C ATOM 664 CD LYS A 46 -8.275 -7.213 2.239 1.00 72.15 C ATOM 665 CE LYS A 46 -8.672 -8.329 3.192 1.00 0.24 C ATOM 666 NZ LYS A 46 -9.936 -8.018 3.917 1.00 63.34 N ATOM 0 H LYS A 46 -4.986 -4.236 -0.127 1.00 13.41 H new ATOM 0 HA LYS A 46 -4.422 -6.612 1.517 1.00 23.44 H new ATOM 0 HB2 LYS A 46 -6.309 -4.771 1.880 1.00 71.13 H new ATOM 0 HB3 LYS A 46 -7.158 -5.690 0.653 1.00 71.13 H new ATOM 0 HG2 LYS A 46 -6.181 -7.612 2.487 1.00 33.53 H new ATOM 0 HG3 LYS A 46 -6.780 -6.289 3.469 1.00 33.53 H new ATOM 0 HD2 LYS A 46 -8.957 -6.371 2.359 1.00 72.15 H new ATOM 0 HD3 LYS A 46 -8.374 -7.560 1.210 1.00 72.15 H new ATOM 0 HE2 LYS A 46 -8.793 -9.257 2.634 1.00 0.24 H new ATOM 0 HE3 LYS A 46 -7.871 -8.493 3.913 1.00 0.24 H new ATOM 0 HZ1 LYS A 46 -9.836 -8.281 4.918 1.00 63.34 H new ATOM 0 HZ2 LYS A 46 -10.136 -7.000 3.845 1.00 63.34 H new ATOM 0 HZ3 LYS A 46 -10.720 -8.555 3.494 1.00 63.34 H new ATOM 676 N VAL A 47 -4.976 -8.370 -0.141 1.00 62.44 N ATOM 677 CA VAL A 47 -5.152 -9.400 -1.158 1.00 53.54 C ATOM 678 C VAL A 47 -6.269 -10.364 -0.775 1.00 21.22 C ATOM 679 O VAL A 47 -6.678 -10.427 0.384 1.00 21.10 O ATOM 680 CB VAL A 47 -3.854 -10.198 -1.381 1.00 2.44 C ATOM 681 CG1 VAL A 47 -3.856 -10.849 -2.755 1.00 14.23 C ATOM 682 CG2 VAL A 47 -2.639 -9.297 -1.211 1.00 54.41 C ATOM 0 H VAL A 47 -4.598 -8.711 0.743 1.00 62.44 H new ATOM 0 HA VAL A 47 -5.418 -8.889 -2.083 1.00 53.54 H new ATOM 0 HB VAL A 47 -3.801 -10.988 -0.632 1.00 2.44 H new ATOM 0 HG11 VAL A 47 -2.931 -11.408 -2.894 1.00 14.23 H new ATOM 0 HG12 VAL A 47 -4.706 -11.527 -2.835 1.00 14.23 H new ATOM 0 HG13 VAL A 47 -3.933 -10.079 -3.522 1.00 14.23 H new ATOM 0 HG21 VAL A 47 -1.730 -9.877 -1.372 1.00 54.41 H new ATOM 0 HG22 VAL A 47 -2.684 -8.485 -1.936 1.00 54.41 H new ATOM 0 HG23 VAL A 47 -2.631 -8.883 -0.203 1.00 54.41 H new ATOM 692 N ALA A 48 -6.759 -11.114 -1.756 1.00 24.40 N ATOM 693 CA ALA A 48 -7.827 -12.078 -1.522 1.00 24.23 C ATOM 694 C ALA A 48 -7.466 -13.032 -0.388 1.00 31.32 C ATOM 695 O ALA A 48 -8.208 -13.163 0.587 1.00 22.42 O ATOM 696 CB ALA A 48 -8.124 -12.856 -2.795 1.00 32.13 C ATOM 0 H ALA A 48 -6.433 -11.073 -2.722 1.00 24.40 H new ATOM 0 HA ALA A 48 -8.721 -11.529 -1.229 1.00 24.23 H new ATOM 0 HB1 ALA A 48 -8.924 -13.572 -2.606 1.00 32.13 H new ATOM 0 HB2 ALA A 48 -8.434 -12.166 -3.579 1.00 32.13 H new ATOM 0 HB3 ALA A 48 -7.228 -13.388 -3.113 1.00 32.13 H new ATOM 702 N THR A 49 -6.323 -13.697 -0.522 1.00 1.33 N ATOM 703 CA THR A 49 -5.865 -14.641 0.491 1.00 70.33 C ATOM 704 C THR A 49 -4.482 -15.184 0.151 1.00 71.04 C ATOM 705 O THR A 49 -4.040 -15.149 -0.998 1.00 43.53 O ATOM 706 CB THR A 49 -6.844 -15.821 0.643 1.00 43.12 C ATOM 707 OG1 THR A 49 -7.716 -15.883 -0.491 1.00 62.03 O ATOM 708 CG2 THR A 49 -7.667 -15.680 1.915 1.00 75.35 C ATOM 0 H THR A 49 -5.697 -13.600 -1.322 1.00 1.33 H new ATOM 0 HA THR A 49 -5.817 -14.095 1.433 1.00 70.33 H new ATOM 0 HB THR A 49 -6.263 -16.741 0.705 1.00 43.12 H new ATOM 0 HG1 THR A 49 -8.334 -16.636 -0.388 1.00 62.03 H new ATOM 0 HG21 THR A 49 -8.351 -16.524 2.001 1.00 75.35 H new ATOM 0 HG22 THR A 49 -7.002 -15.662 2.778 1.00 75.35 H new ATOM 0 HG23 THR A 49 -8.238 -14.752 1.878 1.00 75.35 H new ATOM 716 N PRO A 50 -3.780 -15.699 1.171 1.00 20.33 N ATOM 717 CA PRO A 50 -2.436 -16.261 1.004 1.00 42.25 C ATOM 718 C PRO A 50 -2.448 -17.570 0.223 1.00 52.04 C ATOM 719 O PRO A 50 -3.496 -18.175 -0.004 1.00 33.22 O ATOM 720 CB PRO A 50 -1.971 -16.501 2.442 1.00 42.52 C ATOM 721 CG PRO A 50 -3.228 -16.663 3.225 1.00 34.15 C ATOM 722 CD PRO A 50 -4.245 -15.773 2.567 1.00 70.21 C ATOM 0 HA PRO A 50 -1.784 -15.597 0.436 1.00 42.25 H new ATOM 0 HB2 PRO A 50 -1.344 -17.390 2.512 1.00 42.52 H new ATOM 0 HB3 PRO A 50 -1.380 -15.663 2.812 1.00 42.52 H new ATOM 0 HG2 PRO A 50 -3.558 -17.702 3.222 1.00 34.15 H new ATOM 0 HG3 PRO A 50 -3.078 -16.380 4.267 1.00 34.15 H new ATOM 0 HD2 PRO A 50 -5.249 -16.192 2.635 1.00 70.21 H new ATOM 0 HD3 PRO A 50 -4.278 -14.788 3.032 1.00 70.21 H new ATOM 727 N PRO A 51 -1.257 -18.020 -0.199 1.00 21.01 N ATOM 728 CA PRO A 51 -1.104 -19.263 -0.960 1.00 13.42 C ATOM 729 C PRO A 51 -1.380 -20.500 -0.112 1.00 53.40 C ATOM 730 O PRO A 51 -1.472 -20.434 1.113 1.00 1.51 O ATOM 731 CB PRO A 51 0.362 -19.232 -1.399 1.00 74.44 C ATOM 732 CG PRO A 51 1.043 -18.380 -0.385 1.00 12.30 C ATOM 733 CD PRO A 51 0.033 -17.349 0.036 1.00 1.13 C ATOM 0 HA PRO A 51 -1.810 -19.323 -1.788 1.00 13.42 H new ATOM 0 HB2 PRO A 51 0.789 -20.235 -1.425 1.00 74.44 H new ATOM 0 HB3 PRO A 51 0.467 -18.815 -2.401 1.00 74.44 H new ATOM 0 HG2 PRO A 51 1.372 -18.975 0.467 1.00 12.30 H new ATOM 0 HG3 PRO A 51 1.931 -17.908 -0.805 1.00 12.30 H new ATOM 0 HD2 PRO A 51 0.156 -17.070 1.082 1.00 1.13 H new ATOM 0 HD3 PRO A 51 0.123 -16.435 -0.551 1.00 1.13 H new ATOM 738 N PRO A 52 -1.517 -21.656 -0.778 1.00 63.13 N ATOM 739 CA PRO A 52 -1.784 -22.931 -0.104 1.00 53.23 C ATOM 740 C PRO A 52 -0.586 -23.422 0.701 1.00 33.04 C ATOM 741 O PRO A 52 0.355 -22.671 0.954 1.00 53.34 O ATOM 742 CB PRO A 52 -2.080 -23.888 -1.262 1.00 63.11 C ATOM 743 CG PRO A 52 -1.370 -23.299 -2.431 1.00 72.11 C ATOM 744 CD PRO A 52 -1.421 -21.808 -2.240 1.00 21.25 C ATOM 0 HA PRO A 52 -2.597 -22.849 0.618 1.00 53.23 H new ATOM 0 HB2 PRO A 52 -1.720 -24.894 -1.046 1.00 63.11 H new ATOM 0 HB3 PRO A 52 -3.151 -23.966 -1.447 1.00 63.11 H new ATOM 0 HG2 PRO A 52 -0.340 -23.651 -2.479 1.00 72.11 H new ATOM 0 HG3 PRO A 52 -1.850 -23.589 -3.366 1.00 72.11 H new ATOM 0 HD2 PRO A 52 -0.530 -21.321 -2.637 1.00 21.25 H new ATOM 0 HD3 PRO A 52 -2.279 -21.367 -2.747 1.00 21.25 H new ATOM 749 N SER A 53 -0.628 -24.689 1.102 1.00 51.03 N ATOM 750 CA SER A 53 0.452 -25.280 1.882 1.00 63.41 C ATOM 751 C SER A 53 0.266 -26.789 2.014 1.00 54.32 C ATOM 752 O SER A 53 0.670 -27.390 3.008 1.00 34.04 O ATOM 753 CB SER A 53 0.517 -24.640 3.269 1.00 4.44 C ATOM 754 OG SER A 53 1.687 -25.040 3.963 1.00 73.11 O ATOM 0 H SER A 53 -1.399 -25.326 0.899 1.00 51.03 H new ATOM 0 HA SER A 53 1.389 -25.092 1.358 1.00 63.41 H new ATOM 0 HB2 SER A 53 0.501 -23.554 3.173 1.00 4.44 H new ATOM 0 HB3 SER A 53 -0.365 -24.922 3.844 1.00 4.44 H new ATOM 0 HG SER A 53 1.720 -26.018 4.012 1.00 73.11 H new ATOM 759 N ALA A 54 -0.351 -27.392 1.003 1.00 33.31 N ATOM 760 CA ALA A 54 -0.590 -28.831 1.003 1.00 43.32 C ATOM 761 C ALA A 54 -1.405 -29.250 2.221 1.00 54.30 C ATOM 762 O ALA A 54 -1.372 -30.410 2.631 1.00 14.30 O ATOM 763 CB ALA A 54 0.730 -29.586 0.964 1.00 51.23 C ATOM 0 H ALA A 54 -0.694 -26.907 0.174 1.00 33.31 H new ATOM 0 HA ALA A 54 -1.164 -29.080 0.110 1.00 43.32 H new ATOM 0 HB1 ALA A 54 0.536 -30.659 0.964 1.00 51.23 H new ATOM 0 HB2 ALA A 54 1.277 -29.317 0.060 1.00 51.23 H new ATOM 0 HB3 ALA A 54 1.325 -29.325 1.839 1.00 51.23 H new ATOM 769 N GLN A 55 -2.136 -28.299 2.795 1.00 34.05 N ATOM 770 CA GLN A 55 -2.960 -28.573 3.967 1.00 22.42 C ATOM 771 C GLN A 55 -3.932 -27.428 4.228 1.00 50.20 C ATOM 772 O GLN A 55 -3.758 -26.631 5.150 1.00 31.10 O ATOM 773 CB GLN A 55 -2.076 -28.797 5.195 1.00 4.42 C ATOM 774 CG GLN A 55 -1.805 -30.263 5.491 1.00 31.11 C ATOM 775 CD GLN A 55 -1.800 -30.569 6.976 1.00 74.42 C ATOM 776 OE1 GLN A 55 -1.273 -29.797 7.778 1.00 10.31 O ATOM 777 NE2 GLN A 55 -2.387 -31.699 7.350 1.00 35.22 N ATOM 0 H GLN A 55 -2.174 -27.334 2.468 1.00 34.05 H new ATOM 0 HA GLN A 55 -3.537 -29.477 3.772 1.00 22.42 H new ATOM 0 HB2 GLN A 55 -1.126 -28.283 5.047 1.00 4.42 H new ATOM 0 HB3 GLN A 55 -2.553 -28.342 6.063 1.00 4.42 H new ATOM 0 HG2 GLN A 55 -2.563 -30.874 5.001 1.00 31.11 H new ATOM 0 HG3 GLN A 55 -0.843 -30.544 5.063 1.00 31.11 H new ATOM 0 HE21 GLN A 55 -2.811 -32.309 6.651 1.00 35.22 H new ATOM 0 HE22 GLN A 55 -2.414 -31.957 8.336 1.00 35.22 H new ATOM 784 N PRO A 56 -4.982 -27.341 3.397 1.00 20.34 N ATOM 785 CA PRO A 56 -6.002 -26.296 3.518 1.00 15.42 C ATOM 786 C PRO A 56 -6.874 -26.478 4.757 1.00 50.13 C ATOM 787 O PRO A 56 -6.987 -27.581 5.291 1.00 41.20 O ATOM 788 CB PRO A 56 -6.839 -26.469 2.248 1.00 72.33 C ATOM 789 CG PRO A 56 -6.652 -27.895 1.861 1.00 41.10 C ATOM 790 CD PRO A 56 -5.252 -28.256 2.276 1.00 12.31 C ATOM 0 HA PRO A 56 -5.560 -25.305 3.623 1.00 15.42 H new ATOM 0 HB2 PRO A 56 -7.889 -26.244 2.433 1.00 72.33 H new ATOM 0 HB3 PRO A 56 -6.503 -25.797 1.458 1.00 72.33 H new ATOM 0 HG2 PRO A 56 -7.383 -28.533 2.357 1.00 41.10 H new ATOM 0 HG3 PRO A 56 -6.788 -28.029 0.788 1.00 41.10 H new ATOM 0 HD2 PRO A 56 -5.180 -29.299 2.583 1.00 12.31 H new ATOM 0 HD3 PRO A 56 -4.542 -28.114 1.461 1.00 12.31 H new ATOM 795 N TRP A 57 -7.487 -25.390 5.207 1.00 64.22 N ATOM 796 CA TRP A 57 -8.349 -25.430 6.383 1.00 44.11 C ATOM 797 C TRP A 57 -7.554 -25.812 7.627 1.00 3.22 C ATOM 798 O TRP A 57 -8.106 -26.347 8.589 1.00 53.53 O ATOM 799 CB TRP A 57 -9.493 -26.421 6.169 1.00 32.21 C ATOM 800 CG TRP A 57 -10.177 -26.262 4.845 1.00 74.42 C ATOM 801 CD1 TRP A 57 -10.335 -27.220 3.884 1.00 72.32 C ATOM 802 CD2 TRP A 57 -10.792 -25.075 4.335 1.00 45.51 C ATOM 803 NE1 TRP A 57 -11.012 -26.698 2.808 1.00 31.52 N ATOM 804 CE2 TRP A 57 -11.303 -25.384 3.060 1.00 11.22 C ATOM 805 CE3 TRP A 57 -10.961 -23.780 4.832 1.00 54.42 C ATOM 806 CZ2 TRP A 57 -11.972 -24.446 2.278 1.00 41.14 C ATOM 807 CZ3 TRP A 57 -11.624 -22.850 4.055 1.00 52.54 C ATOM 808 CH2 TRP A 57 -12.123 -23.186 2.789 1.00 52.11 C ATOM 0 H TRP A 57 -7.404 -24.469 4.776 1.00 64.22 H new ATOM 0 HA TRP A 57 -8.765 -24.434 6.532 1.00 44.11 H new ATOM 0 HB2 TRP A 57 -9.104 -27.436 6.249 1.00 32.21 H new ATOM 0 HB3 TRP A 57 -10.226 -26.296 6.966 1.00 32.21 H new ATOM 0 HD1 TRP A 57 -9.980 -28.237 3.959 1.00 72.32 H new ATOM 0 HE1 TRP A 57 -11.258 -27.207 1.959 1.00 31.52 H new ATOM 0 HE3 TRP A 57 -10.580 -23.511 5.806 1.00 54.42 H new ATOM 0 HZ2 TRP A 57 -12.358 -24.704 1.303 1.00 41.14 H new ATOM 0 HZ3 TRP A 57 -11.760 -21.846 4.430 1.00 52.54 H new ATOM 0 HH2 TRP A 57 -12.636 -22.436 2.206 1.00 52.11 H new ATOM 818 N LYS A 58 -6.255 -25.536 7.602 1.00 43.42 N ATOM 819 CA LYS A 58 -5.383 -25.849 8.729 1.00 12.22 C ATOM 820 C LYS A 58 -5.137 -24.613 9.587 1.00 63.42 C ATOM 821 O LYS A 58 -4.807 -24.719 10.767 1.00 32.31 O ATOM 822 CB LYS A 58 -4.051 -26.411 8.229 1.00 62.40 C ATOM 823 CG LYS A 58 -3.179 -26.984 9.333 1.00 54.00 C ATOM 824 CD LYS A 58 -1.734 -26.538 9.190 1.00 40.22 C ATOM 825 CE LYS A 58 -1.438 -25.324 10.059 1.00 72.51 C ATOM 826 NZ LYS A 58 0.024 -25.152 10.291 1.00 12.12 N ATOM 0 H LYS A 58 -5.782 -25.096 6.813 1.00 43.42 H new ATOM 0 HA LYS A 58 -5.880 -26.601 9.342 1.00 12.22 H new ATOM 0 HB2 LYS A 58 -4.249 -27.190 7.493 1.00 62.40 H new ATOM 0 HB3 LYS A 58 -3.502 -25.620 7.717 1.00 62.40 H new ATOM 0 HG2 LYS A 58 -3.564 -26.668 10.303 1.00 54.00 H new ATOM 0 HG3 LYS A 58 -3.229 -28.073 9.309 1.00 54.00 H new ATOM 0 HD2 LYS A 58 -1.070 -27.357 9.468 1.00 40.22 H new ATOM 0 HD3 LYS A 58 -1.527 -26.300 8.147 1.00 40.22 H new ATOM 0 HE2 LYS A 58 -1.838 -24.429 9.582 1.00 72.51 H new ATOM 0 HE3 LYS A 58 -1.948 -25.430 11.017 1.00 72.51 H new ATOM 0 HZ1 LYS A 58 0.185 -24.315 10.887 1.00 12.12 H new ATOM 0 HZ2 LYS A 58 0.401 -25.995 10.769 1.00 12.12 H new ATOM 0 HZ3 LYS A 58 0.508 -25.026 9.379 1.00 12.12 H new ATOM 836 N GLY A 59 -5.298 -23.438 8.984 1.00 2.54 N ATOM 837 CA GLY A 59 -5.089 -22.198 9.709 1.00 71.55 C ATOM 838 C GLY A 59 -5.647 -20.996 8.973 1.00 44.31 C ATOM 839 O GLY A 59 -6.615 -21.114 8.222 1.00 11.24 O ATOM 0 H GLY A 59 -5.569 -23.323 8.007 1.00 2.54 H new ATOM 0 HA2 GLY A 59 -5.559 -22.270 10.690 1.00 71.55 H new ATOM 0 HA3 GLY A 59 -4.022 -22.054 9.877 1.00 71.55 H new ATOM 843 N ASP A 60 -5.037 -19.836 9.190 1.00 31.03 N ATOM 844 CA ASP A 60 -5.479 -18.607 8.543 1.00 71.53 C ATOM 845 C ASP A 60 -4.470 -17.484 8.760 1.00 21.23 C ATOM 846 O ASP A 60 -4.693 -16.557 9.538 1.00 30.03 O ATOM 847 CB ASP A 60 -6.850 -18.188 9.077 1.00 63.43 C ATOM 848 CG ASP A 60 -7.986 -18.668 8.196 1.00 10.43 C ATOM 849 OD1 ASP A 60 -7.824 -18.655 6.959 1.00 65.03 O ATOM 850 OD2 ASP A 60 -9.039 -19.056 8.745 1.00 42.24 O ATOM 0 H ASP A 60 -4.235 -19.721 9.809 1.00 31.03 H new ATOM 0 HA ASP A 60 -5.558 -18.798 7.473 1.00 71.53 H new ATOM 0 HB2 ASP A 60 -6.982 -18.586 10.083 1.00 63.43 H new ATOM 0 HB3 ASP A 60 -6.889 -17.102 9.156 1.00 63.43 H new ATOM 854 N PRO A 61 -3.330 -17.569 8.058 1.00 70.55 N ATOM 855 CA PRO A 61 -2.263 -16.569 8.157 1.00 24.21 C ATOM 856 C PRO A 61 -2.660 -15.233 7.539 1.00 41.31 C ATOM 857 O PRO A 61 -2.374 -14.969 6.370 1.00 25.24 O ATOM 858 CB PRO A 61 -1.111 -17.200 7.373 1.00 60.41 C ATOM 859 CG PRO A 61 -1.770 -18.127 6.411 1.00 34.25 C ATOM 860 CD PRO A 61 -2.996 -18.647 7.112 1.00 62.44 C ATOM 0 HA PRO A 61 -2.016 -16.339 9.193 1.00 24.21 H new ATOM 0 HB2 PRO A 61 -0.524 -16.443 6.854 1.00 60.41 H new ATOM 0 HB3 PRO A 61 -0.429 -17.735 8.034 1.00 60.41 H new ATOM 0 HG2 PRO A 61 -2.037 -17.609 5.490 1.00 34.25 H new ATOM 0 HG3 PRO A 61 -1.102 -18.943 6.135 1.00 34.25 H new ATOM 0 HD2 PRO A 61 -3.810 -18.834 6.412 1.00 62.44 H new ATOM 0 HD3 PRO A 61 -2.796 -19.587 7.627 1.00 62.44 H new ATOM 865 N VAL A 62 -3.321 -14.392 8.329 1.00 24.35 N ATOM 866 CA VAL A 62 -3.755 -13.083 7.859 1.00 70.12 C ATOM 867 C VAL A 62 -2.571 -12.139 7.690 1.00 52.21 C ATOM 868 O VAL A 62 -2.631 -11.186 6.914 1.00 64.24 O ATOM 869 CB VAL A 62 -4.769 -12.448 8.829 1.00 55.04 C ATOM 870 CG1 VAL A 62 -4.112 -12.140 10.165 1.00 61.35 C ATOM 871 CG2 VAL A 62 -5.372 -11.190 8.219 1.00 11.01 C ATOM 0 H VAL A 62 -3.567 -14.595 9.298 1.00 24.35 H new ATOM 0 HA VAL A 62 -4.234 -13.236 6.892 1.00 70.12 H new ATOM 0 HB VAL A 62 -5.573 -13.162 9.005 1.00 55.04 H new ATOM 0 HG11 VAL A 62 -4.845 -11.692 10.836 1.00 61.35 H new ATOM 0 HG12 VAL A 62 -3.733 -13.062 10.605 1.00 61.35 H new ATOM 0 HG13 VAL A 62 -3.287 -11.445 10.013 1.00 61.35 H new ATOM 0 HG21 VAL A 62 -6.086 -10.754 8.917 1.00 11.01 H new ATOM 0 HG22 VAL A 62 -4.580 -10.470 8.013 1.00 11.01 H new ATOM 0 HG23 VAL A 62 -5.882 -11.445 7.290 1.00 11.01 H new ATOM 881 N GLU A 63 -1.494 -12.411 8.421 1.00 52.43 N ATOM 882 CA GLU A 63 -0.295 -11.584 8.351 1.00 52.13 C ATOM 883 C GLU A 63 0.196 -11.458 6.912 1.00 31.54 C ATOM 884 O GLU A 63 0.835 -10.471 6.547 1.00 15.33 O ATOM 885 CB GLU A 63 0.809 -12.174 9.230 1.00 63.54 C ATOM 886 CG GLU A 63 0.973 -11.462 10.562 1.00 24.03 C ATOM 887 CD GLU A 63 2.139 -11.999 11.371 1.00 62.22 C ATOM 888 OE1 GLU A 63 2.170 -13.220 11.630 1.00 50.33 O ATOM 889 OE2 GLU A 63 3.020 -11.196 11.744 1.00 64.53 O ATOM 0 H GLU A 63 -1.428 -13.197 9.068 1.00 52.43 H new ATOM 0 HA GLU A 63 -0.548 -10.589 8.717 1.00 52.13 H new ATOM 0 HB2 GLU A 63 0.591 -13.226 9.414 1.00 63.54 H new ATOM 0 HB3 GLU A 63 1.754 -12.134 8.688 1.00 63.54 H new ATOM 0 HG2 GLU A 63 1.119 -10.396 10.385 1.00 24.03 H new ATOM 0 HG3 GLU A 63 0.055 -11.566 11.141 1.00 24.03 H new ATOM 894 N GLN A 64 -0.106 -12.466 6.099 1.00 2.44 N ATOM 895 CA GLN A 64 0.306 -12.470 4.701 1.00 1.43 C ATOM 896 C GLN A 64 -0.782 -11.875 3.812 1.00 4.23 C ATOM 897 O GLN A 64 -0.503 -11.386 2.717 1.00 52.02 O ATOM 898 CB GLN A 64 0.630 -13.894 4.247 1.00 21.50 C ATOM 899 CG GLN A 64 1.897 -14.458 4.871 1.00 63.42 C ATOM 900 CD GLN A 64 3.124 -14.229 4.009 1.00 44.34 C ATOM 901 OE1 GLN A 64 3.041 -14.223 2.781 1.00 61.22 O ATOM 902 NE2 GLN A 64 4.270 -14.037 4.651 1.00 33.21 N ATOM 0 H GLN A 64 -0.635 -13.290 6.385 1.00 2.44 H new ATOM 0 HA GLN A 64 1.201 -11.855 4.610 1.00 1.43 H new ATOM 0 HB2 GLN A 64 -0.208 -14.545 4.495 1.00 21.50 H new ATOM 0 HB3 GLN A 64 0.733 -13.906 3.162 1.00 21.50 H new ATOM 0 HG2 GLN A 64 2.052 -13.998 5.847 1.00 63.42 H new ATOM 0 HG3 GLN A 64 1.770 -15.527 5.039 1.00 63.42 H new ATOM 0 HE21 GLN A 64 4.292 -14.050 5.671 1.00 33.21 H new ATOM 0 HE22 GLN A 64 5.129 -13.876 4.125 1.00 33.21 H new ATOM 909 N LEU A 65 -2.020 -11.922 4.290 1.00 72.11 N ATOM 910 CA LEU A 65 -3.150 -11.387 3.538 1.00 15.21 C ATOM 911 C LEU A 65 -2.923 -9.922 3.181 1.00 10.31 C ATOM 912 O LEU A 65 -3.478 -9.417 2.206 1.00 74.24 O ATOM 913 CB LEU A 65 -4.441 -11.534 4.346 1.00 41.13 C ATOM 914 CG LEU A 65 -5.468 -12.525 3.798 1.00 23.15 C ATOM 915 CD1 LEU A 65 -5.734 -13.631 4.808 1.00 61.34 C ATOM 916 CD2 LEU A 65 -6.761 -11.809 3.437 1.00 51.12 C ATOM 0 H LEU A 65 -2.267 -12.325 5.194 1.00 72.11 H new ATOM 0 HA LEU A 65 -3.241 -11.956 2.613 1.00 15.21 H new ATOM 0 HB2 LEU A 65 -4.179 -11.837 5.360 1.00 41.13 H new ATOM 0 HB3 LEU A 65 -4.914 -10.555 4.418 1.00 41.13 H new ATOM 0 HG LEU A 65 -5.061 -12.977 2.893 1.00 23.15 H new ATOM 0 HD11 LEU A 65 -6.467 -14.327 4.401 1.00 61.34 H new ATOM 0 HD12 LEU A 65 -4.806 -14.163 5.018 1.00 61.34 H new ATOM 0 HD13 LEU A 65 -6.119 -13.196 5.730 1.00 61.34 H new ATOM 0 HD21 LEU A 65 -7.480 -12.530 3.049 1.00 51.12 H new ATOM 0 HD22 LEU A 65 -7.172 -11.330 4.326 1.00 51.12 H new ATOM 0 HD23 LEU A 65 -6.559 -11.054 2.678 1.00 51.12 H new ATOM 927 N VAL A 66 -2.102 -9.245 3.977 1.00 0.20 N ATOM 928 CA VAL A 66 -1.798 -7.838 3.743 1.00 61.43 C ATOM 929 C VAL A 66 -0.323 -7.642 3.412 1.00 40.03 C ATOM 930 O VAL A 66 0.554 -8.052 4.173 1.00 23.41 O ATOM 931 CB VAL A 66 -2.157 -6.976 4.967 1.00 42.23 C ATOM 932 CG1 VAL A 66 -1.877 -5.507 4.687 1.00 34.21 C ATOM 933 CG2 VAL A 66 -3.613 -7.184 5.357 1.00 11.14 C ATOM 0 H VAL A 66 -1.635 -9.648 4.790 1.00 0.20 H new ATOM 0 HA VAL A 66 -2.403 -7.520 2.894 1.00 61.43 H new ATOM 0 HB VAL A 66 -1.532 -7.287 5.804 1.00 42.23 H new ATOM 0 HG11 VAL A 66 -2.137 -4.914 5.564 1.00 34.21 H new ATOM 0 HG12 VAL A 66 -0.819 -5.375 4.460 1.00 34.21 H new ATOM 0 HG13 VAL A 66 -2.474 -5.178 3.836 1.00 34.21 H new ATOM 0 HG21 VAL A 66 -3.849 -6.567 6.224 1.00 11.14 H new ATOM 0 HG22 VAL A 66 -4.257 -6.901 4.524 1.00 11.14 H new ATOM 0 HG23 VAL A 66 -3.778 -8.233 5.603 1.00 11.14 H new ATOM 943 N ARG A 67 -0.056 -7.013 2.273 1.00 44.23 N ATOM 944 CA ARG A 67 1.313 -6.762 1.840 1.00 4.22 C ATOM 945 C ARG A 67 1.651 -5.277 1.937 1.00 71.55 C ATOM 946 O ARG A 67 1.055 -4.449 1.248 1.00 45.05 O ATOM 947 CB ARG A 67 1.515 -7.250 0.405 1.00 62.40 C ATOM 948 CG ARG A 67 2.718 -8.164 0.236 1.00 60.35 C ATOM 949 CD ARG A 67 2.318 -9.510 -0.349 1.00 62.04 C ATOM 950 NE ARG A 67 3.373 -10.080 -1.182 1.00 31.22 N ATOM 951 CZ ARG A 67 3.213 -11.167 -1.928 1.00 12.24 C ATOM 952 NH1 ARG A 67 2.047 -11.798 -1.944 1.00 21.44 N ATOM 953 NH2 ARG A 67 4.221 -11.626 -2.658 1.00 74.13 N ATOM 0 H ARG A 67 -0.771 -6.667 1.632 1.00 44.23 H new ATOM 0 HA ARG A 67 1.983 -7.313 2.501 1.00 4.22 H new ATOM 0 HB2 ARG A 67 0.619 -7.779 0.081 1.00 62.40 H new ATOM 0 HB3 ARG A 67 1.630 -6.387 -0.250 1.00 62.40 H new ATOM 0 HG2 ARG A 67 3.450 -7.686 -0.415 1.00 60.35 H new ATOM 0 HG3 ARG A 67 3.200 -8.315 1.202 1.00 60.35 H new ATOM 0 HD2 ARG A 67 2.082 -10.201 0.460 1.00 62.04 H new ATOM 0 HD3 ARG A 67 1.411 -9.392 -0.942 1.00 62.04 H new ATOM 0 HE ARG A 67 4.282 -9.618 -1.191 1.00 31.22 H new ATOM 0 HH11 ARG A 67 1.270 -11.449 -1.383 1.00 21.44 H new ATOM 0 HH12 ARG A 67 1.927 -12.633 -2.518 1.00 21.44 H new ATOM 0 HH21 ARG A 67 5.120 -11.144 -2.647 1.00 74.13 H new ATOM 0 HH22 ARG A 67 4.097 -12.461 -3.231 1.00 74.13 H new ATOM 964 N HIS A 68 2.611 -4.948 2.796 1.00 73.20 N ATOM 965 CA HIS A 68 3.028 -3.562 2.982 1.00 33.42 C ATOM 966 C HIS A 68 4.495 -3.382 2.604 1.00 5.43 C ATOM 967 O HIS A 68 5.370 -4.082 3.115 1.00 13.44 O ATOM 968 CB HIS A 68 2.805 -3.131 4.431 1.00 33.22 C ATOM 969 CG HIS A 68 3.316 -1.755 4.732 1.00 34.24 C ATOM 970 ND1 HIS A 68 4.475 -1.522 5.441 1.00 43.14 N ATOM 971 CD2 HIS A 68 2.819 -0.537 4.414 1.00 15.02 C ATOM 972 CE1 HIS A 68 4.667 -0.219 5.547 1.00 3.23 C ATOM 973 NE2 HIS A 68 3.676 0.401 4.932 1.00 21.41 N ATOM 0 H HIS A 68 3.114 -5.621 3.374 1.00 73.20 H new ATOM 0 HA HIS A 68 2.423 -2.934 2.328 1.00 33.42 H new ATOM 0 HB2 HIS A 68 1.739 -3.170 4.653 1.00 33.22 H new ATOM 0 HB3 HIS A 68 3.295 -3.845 5.093 1.00 33.22 H new ATOM 0 HD1 HIS A 68 5.088 -2.242 5.824 1.00 43.14 H new ATOM 0 HD2 HIS A 68 1.916 -0.340 3.856 1.00 15.02 H new ATOM 0 HE1 HIS A 68 5.494 0.258 6.051 1.00 3.23 H new ATOM 980 N PHE A 69 4.759 -2.438 1.706 1.00 33.11 N ATOM 981 CA PHE A 69 6.120 -2.166 1.259 1.00 20.24 C ATOM 982 C PHE A 69 6.426 -0.673 1.323 1.00 13.13 C ATOM 983 O PHE A 69 5.523 0.161 1.242 1.00 54.24 O ATOM 984 CB PHE A 69 6.323 -2.680 -0.168 1.00 54.42 C ATOM 985 CG PHE A 69 6.593 -4.156 -0.242 1.00 13.42 C ATOM 986 CD1 PHE A 69 7.608 -4.726 0.509 1.00 63.50 C ATOM 987 CD2 PHE A 69 5.830 -4.972 -1.060 1.00 32.33 C ATOM 988 CE1 PHE A 69 7.860 -6.083 0.442 1.00 13.24 C ATOM 989 CE2 PHE A 69 6.075 -6.331 -1.131 1.00 22.21 C ATOM 990 CZ PHE A 69 7.091 -6.887 -0.378 1.00 64.01 C ATOM 0 H PHE A 69 4.048 -1.848 1.274 1.00 33.11 H new ATOM 0 HA PHE A 69 6.806 -2.688 1.926 1.00 20.24 H new ATOM 0 HB2 PHE A 69 5.435 -2.451 -0.758 1.00 54.42 H new ATOM 0 HB3 PHE A 69 7.155 -2.143 -0.624 1.00 54.42 H new ATOM 0 HD1 PHE A 69 8.209 -4.103 1.154 1.00 63.50 H new ATOM 0 HD2 PHE A 69 5.034 -4.542 -1.650 1.00 32.33 H new ATOM 0 HE1 PHE A 69 8.657 -6.515 1.030 1.00 13.24 H new ATOM 0 HE2 PHE A 69 5.473 -6.956 -1.774 1.00 22.21 H new ATOM 0 HZ PHE A 69 7.284 -7.948 -0.430 1.00 64.01 H new ATOM 999 N LEU A 70 7.704 -0.343 1.469 1.00 71.22 N ATOM 1000 CA LEU A 70 8.130 1.050 1.544 1.00 1.20 C ATOM 1001 C LEU A 70 8.647 1.535 0.194 1.00 42.24 C ATOM 1002 O LEU A 70 9.543 0.928 -0.394 1.00 3.05 O ATOM 1003 CB LEU A 70 9.217 1.215 2.608 1.00 1.14 C ATOM 1004 CG LEU A 70 10.342 0.178 2.585 1.00 14.30 C ATOM 1005 CD1 LEU A 70 11.698 0.859 2.678 1.00 2.12 C ATOM 1006 CD2 LEU A 70 10.166 -0.823 3.718 1.00 64.43 C ATOM 0 H LEU A 70 8.463 -1.021 1.538 1.00 71.22 H new ATOM 0 HA LEU A 70 7.265 1.654 1.819 1.00 1.20 H new ATOM 0 HB2 LEU A 70 9.660 2.205 2.496 1.00 1.14 H new ATOM 0 HB3 LEU A 70 8.744 1.187 3.590 1.00 1.14 H new ATOM 0 HG LEU A 70 10.295 -0.361 1.639 1.00 14.30 H new ATOM 0 HD11 LEU A 70 12.486 0.106 2.660 1.00 2.12 H new ATOM 0 HD12 LEU A 70 11.824 1.536 1.833 1.00 2.12 H new ATOM 0 HD13 LEU A 70 11.758 1.425 3.608 1.00 2.12 H new ATOM 0 HD21 LEU A 70 10.974 -1.553 3.687 1.00 64.43 H new ATOM 0 HD22 LEU A 70 10.187 -0.299 4.673 1.00 64.43 H new ATOM 0 HD23 LEU A 70 9.210 -1.335 3.606 1.00 64.43 H new ATOM 1017 N ILE A 71 8.079 2.633 -0.292 1.00 52.21 N ATOM 1018 CA ILE A 71 8.484 3.201 -1.571 1.00 44.02 C ATOM 1019 C ILE A 71 9.400 4.405 -1.373 1.00 74.11 C ATOM 1020 O ILE A 71 9.152 5.250 -0.513 1.00 10.13 O ATOM 1021 CB ILE A 71 7.265 3.631 -2.409 1.00 41.51 C ATOM 1022 CG1 ILE A 71 6.147 2.593 -2.291 1.00 20.34 C ATOM 1023 CG2 ILE A 71 7.664 3.826 -3.864 1.00 31.34 C ATOM 1024 CD1 ILE A 71 5.042 3.000 -1.342 1.00 71.11 C ATOM 0 H ILE A 71 7.336 3.147 0.181 1.00 52.21 H new ATOM 0 HA ILE A 71 9.024 2.419 -2.105 1.00 44.02 H new ATOM 0 HB ILE A 71 6.895 4.581 -2.025 1.00 41.51 H new ATOM 0 HG12 ILE A 71 5.720 2.417 -3.278 1.00 20.34 H new ATOM 0 HG13 ILE A 71 6.574 1.648 -1.955 1.00 20.34 H new ATOM 0 HG21 ILE A 71 6.792 4.130 -4.443 1.00 31.34 H new ATOM 0 HG22 ILE A 71 8.431 4.598 -3.931 1.00 31.34 H new ATOM 0 HG23 ILE A 71 8.056 2.890 -4.262 1.00 31.34 H new ATOM 0 HD11 ILE A 71 4.284 2.217 -1.308 1.00 71.11 H new ATOM 0 HD12 ILE A 71 5.455 3.148 -0.344 1.00 71.11 H new ATOM 0 HD13 ILE A 71 4.589 3.929 -1.688 1.00 71.11 H new ATOM 1035 N GLU A 72 10.456 4.477 -2.176 1.00 22.44 N ATOM 1036 CA GLU A 72 11.409 5.577 -2.088 1.00 61.13 C ATOM 1037 C GLU A 72 11.266 6.516 -3.283 1.00 53.40 C ATOM 1038 O GLU A 72 11.146 6.073 -4.425 1.00 61.42 O ATOM 1039 CB GLU A 72 12.840 5.040 -2.017 1.00 2.44 C ATOM 1040 CG GLU A 72 13.776 5.909 -1.195 1.00 51.10 C ATOM 1041 CD GLU A 72 15.123 6.109 -1.864 1.00 3.41 C ATOM 1042 OE1 GLU A 72 15.564 5.199 -2.595 1.00 50.33 O ATOM 1043 OE2 GLU A 72 15.735 7.178 -1.654 1.00 34.44 O ATOM 0 H GLU A 72 10.673 3.787 -2.895 1.00 22.44 H new ATOM 0 HA GLU A 72 11.194 6.137 -1.178 1.00 61.13 H new ATOM 0 HB2 GLU A 72 12.822 4.037 -1.591 1.00 2.44 H new ATOM 0 HB3 GLU A 72 13.236 4.950 -3.029 1.00 2.44 H new ATOM 0 HG2 GLU A 72 13.310 6.880 -1.026 1.00 51.10 H new ATOM 0 HG3 GLU A 72 13.924 5.452 -0.216 1.00 51.10 H new ATOM 1048 N THR A 73 11.278 7.817 -3.011 1.00 1.21 N ATOM 1049 CA THR A 73 11.148 8.819 -4.060 1.00 52.24 C ATOM 1050 C THR A 73 12.350 9.758 -4.077 1.00 11.14 C ATOM 1051 O THR A 73 12.646 10.421 -3.085 1.00 10.24 O ATOM 1052 CB THR A 73 9.864 9.652 -3.887 1.00 11.22 C ATOM 1053 OG1 THR A 73 9.829 10.707 -4.855 1.00 4.31 O ATOM 1054 CG2 THR A 73 9.785 10.240 -2.485 1.00 73.23 C ATOM 0 H THR A 73 11.377 8.201 -2.071 1.00 1.21 H new ATOM 0 HA THR A 73 11.098 8.280 -5.006 1.00 52.24 H new ATOM 0 HB THR A 73 9.008 8.994 -4.037 1.00 11.22 H new ATOM 0 HG1 THR A 73 9.009 11.231 -4.739 1.00 4.31 H new ATOM 0 HG21 THR A 73 8.870 10.824 -2.386 1.00 73.23 H new ATOM 0 HG22 THR A 73 9.781 9.433 -1.752 1.00 73.23 H new ATOM 0 HG23 THR A 73 10.647 10.884 -2.311 1.00 73.23 H new ATOM 1062 N GLY A 74 13.039 9.808 -5.213 1.00 51.03 N ATOM 1063 CA GLY A 74 14.201 10.668 -5.338 1.00 44.54 C ATOM 1064 C GLY A 74 14.217 11.435 -6.645 1.00 44.24 C ATOM 1065 O GLY A 74 13.193 11.591 -7.310 1.00 70.53 O ATOM 0 H GLY A 74 12.813 9.268 -6.049 1.00 51.03 H new ATOM 0 HA2 GLY A 74 14.219 11.373 -4.507 1.00 44.54 H new ATOM 0 HA3 GLY A 74 15.106 10.064 -5.263 1.00 44.54 H new ATOM 1069 N PRO A 75 15.402 11.932 -7.030 1.00 4.34 N ATOM 1070 CA PRO A 75 15.576 12.696 -8.268 1.00 53.15 C ATOM 1071 C PRO A 75 15.426 11.826 -9.512 1.00 12.13 C ATOM 1072 O PRO A 75 15.427 12.327 -10.637 1.00 25.13 O ATOM 1073 CB PRO A 75 17.007 13.230 -8.158 1.00 33.22 C ATOM 1074 CG PRO A 75 17.702 12.266 -7.261 1.00 24.32 C ATOM 1075 CD PRO A 75 16.665 11.785 -6.285 1.00 52.43 C ATOM 0 HA PRO A 75 14.823 13.476 -8.374 1.00 53.15 H new ATOM 0 HB2 PRO A 75 17.488 13.279 -9.135 1.00 33.22 H new ATOM 0 HB3 PRO A 75 17.023 14.238 -7.744 1.00 33.22 H new ATOM 0 HG2 PRO A 75 18.118 11.434 -7.830 1.00 24.32 H new ATOM 0 HG3 PRO A 75 18.533 12.745 -6.743 1.00 24.32 H new ATOM 0 HD2 PRO A 75 16.840 10.750 -5.990 1.00 52.43 H new ATOM 0 HD3 PRO A 75 16.665 12.381 -5.372 1.00 52.43 H new ATOM 1080 N LYS A 76 15.296 10.521 -9.303 1.00 24.42 N ATOM 1081 CA LYS A 76 15.144 9.579 -10.406 1.00 52.35 C ATOM 1082 C LYS A 76 13.702 9.096 -10.513 1.00 14.32 C ATOM 1083 O LYS A 76 13.352 8.354 -11.430 1.00 53.32 O ATOM 1084 CB LYS A 76 16.081 8.385 -10.218 1.00 22.12 C ATOM 1085 CG LYS A 76 15.685 7.477 -9.066 1.00 71.34 C ATOM 1086 CD LYS A 76 15.329 6.082 -9.553 1.00 41.43 C ATOM 1087 CE LYS A 76 16.525 5.145 -9.487 1.00 45.32 C ATOM 1088 NZ LYS A 76 16.433 4.055 -10.497 1.00 1.32 N ATOM 0 H LYS A 76 15.293 10.090 -8.378 1.00 24.42 H new ATOM 0 HA LYS A 76 15.406 10.095 -11.330 1.00 52.35 H new ATOM 0 HB2 LYS A 76 16.102 7.802 -11.139 1.00 22.12 H new ATOM 0 HB3 LYS A 76 17.094 8.751 -10.049 1.00 22.12 H new ATOM 0 HG2 LYS A 76 16.506 7.416 -8.351 1.00 71.34 H new ATOM 0 HG3 LYS A 76 14.834 7.907 -8.538 1.00 71.34 H new ATOM 0 HD2 LYS A 76 14.517 5.680 -8.947 1.00 41.43 H new ATOM 0 HD3 LYS A 76 14.964 6.136 -10.579 1.00 41.43 H new ATOM 0 HE2 LYS A 76 17.441 5.713 -9.649 1.00 45.32 H new ATOM 0 HE3 LYS A 76 16.591 4.711 -8.489 1.00 45.32 H new ATOM 0 HZ1 LYS A 76 17.267 3.438 -10.419 1.00 1.32 H new ATOM 0 HZ2 LYS A 76 15.572 3.496 -10.327 1.00 1.32 H new ATOM 0 HZ3 LYS A 76 16.395 4.468 -11.451 1.00 1.32 H new ATOM 1098 N GLY A 77 12.867 9.522 -9.569 1.00 41.45 N ATOM 1099 CA GLY A 77 11.472 9.124 -9.577 1.00 33.31 C ATOM 1100 C GLY A 77 11.066 8.410 -8.302 1.00 74.51 C ATOM 1101 O GLY A 77 11.631 8.657 -7.237 1.00 22.54 O ATOM 0 H GLY A 77 13.133 10.136 -8.799 1.00 41.45 H new ATOM 0 HA2 GLY A 77 10.846 10.006 -9.711 1.00 33.31 H new ATOM 0 HA3 GLY A 77 11.288 8.471 -10.430 1.00 33.31 H new ATOM 1105 N VAL A 78 10.081 7.523 -8.410 1.00 60.44 N ATOM 1106 CA VAL A 78 9.600 6.771 -7.258 1.00 1.01 C ATOM 1107 C VAL A 78 9.512 5.282 -7.570 1.00 51.22 C ATOM 1108 O VAL A 78 8.870 4.876 -8.540 1.00 25.11 O ATOM 1109 CB VAL A 78 8.217 7.272 -6.800 1.00 33.41 C ATOM 1110 CG1 VAL A 78 7.213 7.180 -7.939 1.00 53.44 C ATOM 1111 CG2 VAL A 78 7.738 6.481 -5.592 1.00 2.43 C ATOM 0 H VAL A 78 9.601 7.308 -9.284 1.00 60.44 H new ATOM 0 HA VAL A 78 10.320 6.927 -6.455 1.00 1.01 H new ATOM 0 HB VAL A 78 8.306 8.319 -6.509 1.00 33.41 H new ATOM 0 HG11 VAL A 78 6.242 7.538 -7.598 1.00 53.44 H new ATOM 0 HG12 VAL A 78 7.553 7.793 -8.774 1.00 53.44 H new ATOM 0 HG13 VAL A 78 7.124 6.143 -8.263 1.00 53.44 H new ATOM 0 HG21 VAL A 78 6.760 6.848 -5.282 1.00 2.43 H new ATOM 0 HG22 VAL A 78 7.663 5.426 -5.854 1.00 2.43 H new ATOM 0 HG23 VAL A 78 8.447 6.602 -4.773 1.00 2.43 H new ATOM 1121 N LYS A 79 10.161 4.471 -6.743 1.00 13.05 N ATOM 1122 CA LYS A 79 10.156 3.024 -6.928 1.00 15.23 C ATOM 1123 C LYS A 79 9.988 2.304 -5.593 1.00 51.44 C ATOM 1124 O LYS A 79 10.581 2.696 -4.587 1.00 52.34 O ATOM 1125 CB LYS A 79 11.452 2.571 -7.604 1.00 24.20 C ATOM 1126 CG LYS A 79 12.621 2.429 -6.643 1.00 35.13 C ATOM 1127 CD LYS A 79 13.948 2.388 -7.383 1.00 32.24 C ATOM 1128 CE LYS A 79 15.055 1.817 -6.509 1.00 11.21 C ATOM 1129 NZ LYS A 79 16.396 2.319 -6.916 1.00 64.22 N ATOM 0 H LYS A 79 10.698 4.791 -5.937 1.00 13.05 H new ATOM 0 HA LYS A 79 9.311 2.768 -7.567 1.00 15.23 H new ATOM 0 HB2 LYS A 79 11.280 1.614 -8.097 1.00 24.20 H new ATOM 0 HB3 LYS A 79 11.716 3.288 -8.382 1.00 24.20 H new ATOM 0 HG2 LYS A 79 12.620 3.263 -5.941 1.00 35.13 H new ATOM 0 HG3 LYS A 79 12.502 1.518 -6.056 1.00 35.13 H new ATOM 0 HD2 LYS A 79 13.845 1.783 -8.284 1.00 32.24 H new ATOM 0 HD3 LYS A 79 14.218 3.394 -7.704 1.00 32.24 H new ATOM 0 HE2 LYS A 79 14.869 2.081 -5.468 1.00 11.21 H new ATOM 0 HE3 LYS A 79 15.041 0.729 -6.569 1.00 11.21 H new ATOM 0 HZ1 LYS A 79 17.125 1.894 -6.308 1.00 64.22 H new ATOM 0 HZ2 LYS A 79 16.578 2.060 -7.907 1.00 64.22 H new ATOM 0 HZ3 LYS A 79 16.424 3.354 -6.818 1.00 64.22 H new ATOM 1139 N ILE A 80 9.178 1.251 -5.592 1.00 72.40 N ATOM 1140 CA ILE A 80 8.934 0.477 -4.381 1.00 21.31 C ATOM 1141 C ILE A 80 10.153 -0.363 -4.013 1.00 0.15 C ATOM 1142 O ILE A 80 10.561 -1.250 -4.764 1.00 53.44 O ATOM 1143 CB ILE A 80 7.715 -0.450 -4.541 1.00 24.02 C ATOM 1144 CG1 ILE A 80 6.527 0.329 -5.110 1.00 20.21 C ATOM 1145 CG2 ILE A 80 7.350 -1.081 -3.206 1.00 31.22 C ATOM 1146 CD1 ILE A 80 6.236 0.011 -6.561 1.00 41.23 C ATOM 0 H ILE A 80 8.680 0.914 -6.416 1.00 72.40 H new ATOM 0 HA ILE A 80 8.733 1.192 -3.583 1.00 21.31 H new ATOM 0 HB ILE A 80 7.972 -1.247 -5.239 1.00 24.02 H new ATOM 0 HG12 ILE A 80 5.641 0.111 -4.514 1.00 20.21 H new ATOM 0 HG13 ILE A 80 6.723 1.397 -5.012 1.00 20.21 H new ATOM 0 HG21 ILE A 80 6.487 -1.733 -3.336 1.00 31.22 H new ATOM 0 HG22 ILE A 80 8.193 -1.664 -2.837 1.00 31.22 H new ATOM 0 HG23 ILE A 80 7.108 -0.298 -2.487 1.00 31.22 H new ATOM 0 HD11 ILE A 80 5.382 0.599 -6.898 1.00 41.23 H new ATOM 0 HD12 ILE A 80 7.107 0.255 -7.169 1.00 41.23 H new ATOM 0 HD13 ILE A 80 6.009 -1.050 -6.662 1.00 41.23 H new ATOM 1157 N LYS A 81 10.729 -0.081 -2.849 1.00 63.44 N ATOM 1158 CA LYS A 81 11.899 -0.812 -2.377 1.00 14.21 C ATOM 1159 C LYS A 81 11.491 -2.130 -1.725 1.00 51.14 C ATOM 1160 O LYS A 81 11.251 -2.188 -0.520 1.00 23.42 O ATOM 1161 CB LYS A 81 12.690 0.039 -1.380 1.00 73.53 C ATOM 1162 CG LYS A 81 14.005 -0.590 -0.952 1.00 75.33 C ATOM 1163 CD LYS A 81 15.098 -0.349 -1.980 1.00 3.42 C ATOM 1164 CE LYS A 81 15.919 -1.605 -2.226 1.00 13.14 C ATOM 1165 NZ LYS A 81 16.820 -1.458 -3.403 1.00 41.30 N ATOM 0 H LYS A 81 10.404 0.649 -2.215 1.00 63.44 H new ATOM 0 HA LYS A 81 12.530 -1.033 -3.238 1.00 14.21 H new ATOM 0 HB2 LYS A 81 12.891 1.013 -1.826 1.00 73.53 H new ATOM 0 HB3 LYS A 81 12.076 0.213 -0.497 1.00 73.53 H new ATOM 0 HG2 LYS A 81 14.311 -0.178 0.009 1.00 75.33 H new ATOM 0 HG3 LYS A 81 13.868 -1.662 -0.810 1.00 75.33 H new ATOM 0 HD2 LYS A 81 14.651 -0.016 -2.917 1.00 3.42 H new ATOM 0 HD3 LYS A 81 15.752 0.453 -1.636 1.00 3.42 H new ATOM 0 HE2 LYS A 81 16.513 -1.830 -1.340 1.00 13.14 H new ATOM 0 HE3 LYS A 81 15.250 -2.451 -2.384 1.00 13.14 H new ATOM 0 HZ1 LYS A 81 17.362 -2.335 -3.537 1.00 41.30 H new ATOM 0 HZ2 LYS A 81 16.252 -1.269 -4.253 1.00 41.30 H new ATOM 0 HZ3 LYS A 81 17.476 -0.667 -3.242 1.00 41.30 H new ATOM 1175 N GLY A 82 11.414 -3.185 -2.531 1.00 45.33 N ATOM 1176 CA GLY A 82 11.036 -4.487 -2.014 1.00 2.14 C ATOM 1177 C GLY A 82 11.088 -5.569 -3.073 1.00 15.23 C ATOM 1178 O GLY A 82 11.404 -6.722 -2.778 1.00 72.31 O ATOM 0 H GLY A 82 11.607 -3.161 -3.532 1.00 45.33 H new ATOM 0 HA2 GLY A 82 11.700 -4.755 -1.192 1.00 2.14 H new ATOM 0 HA3 GLY A 82 10.028 -4.433 -1.604 1.00 2.14 H new ATOM 1182 N CYS A 83 10.774 -5.199 -4.310 1.00 42.31 N ATOM 1183 CA CYS A 83 10.784 -6.148 -5.418 1.00 52.44 C ATOM 1184 C CYS A 83 12.084 -6.048 -6.208 1.00 13.04 C ATOM 1185 O CYS A 83 12.749 -5.013 -6.229 1.00 41.33 O ATOM 1186 CB CYS A 83 9.591 -5.896 -6.342 1.00 63.15 C ATOM 1187 SG CYS A 83 7.989 -6.292 -5.604 1.00 40.33 S ATOM 0 H CYS A 83 10.509 -4.249 -4.571 1.00 42.31 H new ATOM 0 HA CYS A 83 10.709 -7.153 -5.004 1.00 52.44 H new ATOM 0 HB2 CYS A 83 9.592 -4.848 -6.641 1.00 63.15 H new ATOM 0 HB3 CYS A 83 9.717 -6.487 -7.249 1.00 63.15 H new ATOM 0 HG CYS A 83 7.043 -6.044 -6.461 1.00 40.33 H new ATOM 1192 N PRO A 84 12.458 -7.151 -6.873 1.00 25.44 N ATOM 1193 CA PRO A 84 13.683 -7.215 -7.675 1.00 72.41 C ATOM 1194 C PRO A 84 13.593 -6.366 -8.939 1.00 45.14 C ATOM 1195 O PRO A 84 14.601 -5.858 -9.430 1.00 64.10 O ATOM 1196 CB PRO A 84 13.795 -8.698 -8.035 1.00 32.23 C ATOM 1197 CG PRO A 84 12.397 -9.210 -7.976 1.00 44.24 C ATOM 1198 CD PRO A 84 11.714 -8.423 -6.892 1.00 44.24 C ATOM 0 HA PRO A 84 14.546 -6.828 -7.133 1.00 72.41 H new ATOM 0 HB2 PRO A 84 14.224 -8.833 -9.028 1.00 32.23 H new ATOM 0 HB3 PRO A 84 14.440 -9.228 -7.334 1.00 32.23 H new ATOM 0 HG2 PRO A 84 11.892 -9.077 -8.933 1.00 44.24 H new ATOM 0 HG3 PRO A 84 12.381 -10.277 -7.753 1.00 44.24 H new ATOM 0 HD2 PRO A 84 10.658 -8.268 -7.113 1.00 44.24 H new ATOM 0 HD3 PRO A 84 11.767 -8.934 -5.931 1.00 44.24 H new ATOM 1203 N SER A 85 12.379 -6.214 -9.459 1.00 25.05 N ATOM 1204 CA SER A 85 12.158 -5.429 -10.668 1.00 12.34 C ATOM 1205 C SER A 85 12.803 -4.052 -10.546 1.00 12.30 C ATOM 1206 O SER A 85 13.449 -3.573 -11.477 1.00 51.44 O ATOM 1207 CB SER A 85 10.659 -5.280 -10.938 1.00 25.44 C ATOM 1208 OG SER A 85 10.328 -5.735 -12.238 1.00 64.34 O ATOM 0 H SER A 85 11.534 -6.624 -9.062 1.00 25.05 H new ATOM 0 HA SER A 85 12.620 -5.955 -11.503 1.00 12.34 H new ATOM 0 HB2 SER A 85 10.095 -5.846 -10.197 1.00 25.44 H new ATOM 0 HB3 SER A 85 10.369 -4.235 -10.830 1.00 25.44 H new ATOM 0 HG SER A 85 9.664 -5.134 -12.636 1.00 64.34 H new ATOM 1213 N GLU A 86 12.622 -3.421 -9.390 1.00 44.34 N ATOM 1214 CA GLU A 86 13.186 -2.098 -9.145 1.00 71.53 C ATOM 1215 C GLU A 86 12.609 -1.073 -10.119 1.00 63.11 C ATOM 1216 O GLU A 86 13.253 -0.669 -11.088 1.00 34.41 O ATOM 1217 CB GLU A 86 14.710 -2.137 -9.274 1.00 5.34 C ATOM 1218 CG GLU A 86 15.431 -2.241 -7.939 1.00 14.44 C ATOM 1219 CD GLU A 86 15.926 -3.645 -7.653 1.00 31.34 C ATOM 1220 OE1 GLU A 86 16.585 -4.234 -8.535 1.00 71.11 O ATOM 1221 OE2 GLU A 86 15.657 -4.155 -6.545 1.00 15.52 O ATOM 0 H GLU A 86 12.090 -3.804 -8.609 1.00 44.34 H new ATOM 0 HA GLU A 86 12.922 -1.800 -8.130 1.00 71.53 H new ATOM 0 HB2 GLU A 86 14.992 -2.986 -9.897 1.00 5.34 H new ATOM 0 HB3 GLU A 86 15.046 -1.237 -9.790 1.00 5.34 H new ATOM 0 HG2 GLU A 86 16.276 -1.553 -7.932 1.00 14.44 H new ATOM 0 HG3 GLU A 86 14.758 -1.927 -7.141 1.00 14.44 H new ATOM 1226 N PRO A 87 11.367 -0.642 -9.856 1.00 63.23 N ATOM 1227 CA PRO A 87 10.676 0.341 -10.696 1.00 13.32 C ATOM 1228 C PRO A 87 11.288 1.732 -10.583 1.00 71.25 C ATOM 1229 O PRO A 87 12.420 1.888 -10.122 1.00 52.55 O ATOM 1230 CB PRO A 87 9.249 0.339 -10.143 1.00 34.14 C ATOM 1231 CG PRO A 87 9.390 -0.112 -8.730 1.00 23.45 C ATOM 1232 CD PRO A 87 10.541 -1.080 -8.718 1.00 44.12 C ATOM 0 HA PRO A 87 10.738 0.088 -11.754 1.00 13.32 H new ATOM 0 HB2 PRO A 87 8.802 1.331 -10.199 1.00 34.14 H new ATOM 0 HB3 PRO A 87 8.606 -0.333 -10.711 1.00 34.14 H new ATOM 0 HG2 PRO A 87 9.583 0.732 -8.068 1.00 23.45 H new ATOM 0 HG3 PRO A 87 8.475 -0.589 -8.379 1.00 23.45 H new ATOM 0 HD2 PRO A 87 11.094 -1.035 -7.780 1.00 44.12 H new ATOM 0 HD3 PRO A 87 10.202 -2.109 -8.840 1.00 44.12 H new ATOM 1237 N TYR A 88 10.535 2.741 -11.006 1.00 1.21 N ATOM 1238 CA TYR A 88 11.004 4.121 -10.953 1.00 74.43 C ATOM 1239 C TYR A 88 10.048 5.050 -11.695 1.00 2.25 C ATOM 1240 O TYR A 88 10.442 5.750 -12.628 1.00 15.32 O ATOM 1241 CB TYR A 88 12.406 4.227 -11.557 1.00 63.44 C ATOM 1242 CG TYR A 88 12.630 3.306 -12.735 1.00 30.44 C ATOM 1243 CD1 TYR A 88 11.690 3.208 -13.754 1.00 30.34 C ATOM 1244 CD2 TYR A 88 13.780 2.531 -12.828 1.00 63.54 C ATOM 1245 CE1 TYR A 88 11.890 2.366 -14.832 1.00 41.31 C ATOM 1246 CE2 TYR A 88 13.989 1.689 -13.903 1.00 23.54 C ATOM 1247 CZ TYR A 88 13.042 1.610 -14.902 1.00 12.44 C ATOM 1248 OH TYR A 88 13.245 0.770 -15.973 1.00 12.22 O ATOM 0 H TYR A 88 9.597 2.629 -11.390 1.00 1.21 H new ATOM 0 HA TYR A 88 11.040 4.426 -9.907 1.00 74.43 H new ATOM 0 HB2 TYR A 88 12.579 5.256 -11.873 1.00 63.44 H new ATOM 0 HB3 TYR A 88 13.143 4.002 -10.786 1.00 63.44 H new ATOM 0 HD1 TYR A 88 10.788 3.800 -13.703 1.00 30.34 H new ATOM 0 HD2 TYR A 88 14.523 2.588 -12.046 1.00 63.54 H new ATOM 0 HE1 TYR A 88 11.149 2.300 -15.615 1.00 41.31 H new ATOM 0 HE2 TYR A 88 14.890 1.096 -13.961 1.00 23.54 H new ATOM 0 HH TYR A 88 14.105 0.311 -15.870 1.00 12.22 H new ATOM 1257 N PHE A 89 8.789 5.052 -11.271 1.00 1.52 N ATOM 1258 CA PHE A 89 7.774 5.895 -11.892 1.00 73.51 C ATOM 1259 C PHE A 89 8.064 7.372 -11.639 1.00 73.44 C ATOM 1260 O PHE A 89 9.149 7.734 -11.188 1.00 71.53 O ATOM 1261 CB PHE A 89 6.386 5.537 -11.359 1.00 2.44 C ATOM 1262 CG PHE A 89 6.029 4.090 -11.536 1.00 32.24 C ATOM 1263 CD1 PHE A 89 6.376 3.153 -10.575 1.00 60.11 C ATOM 1264 CD2 PHE A 89 5.347 3.664 -12.665 1.00 11.52 C ATOM 1265 CE1 PHE A 89 6.051 1.820 -10.738 1.00 10.35 C ATOM 1266 CE2 PHE A 89 5.018 2.331 -12.832 1.00 42.03 C ATOM 1267 CZ PHE A 89 5.369 1.409 -11.867 1.00 22.52 C ATOM 0 H PHE A 89 8.447 4.479 -10.500 1.00 1.52 H new ATOM 0 HA PHE A 89 7.799 5.717 -12.967 1.00 73.51 H new ATOM 0 HB2 PHE A 89 6.337 5.788 -10.299 1.00 2.44 H new ATOM 0 HB3 PHE A 89 5.642 6.151 -11.866 1.00 2.44 H new ATOM 0 HD1 PHE A 89 6.906 3.469 -9.689 1.00 60.11 H new ATOM 0 HD2 PHE A 89 5.069 4.381 -13.423 1.00 11.52 H new ATOM 0 HE1 PHE A 89 6.330 1.100 -9.983 1.00 10.35 H new ATOM 0 HE2 PHE A 89 4.487 2.012 -13.717 1.00 42.03 H new ATOM 0 HZ PHE A 89 5.111 0.368 -11.994 1.00 22.52 H new ATOM 1276 N GLY A 90 7.083 8.220 -11.935 1.00 43.41 N ATOM 1277 CA GLY A 90 7.252 9.647 -11.734 1.00 61.23 C ATOM 1278 C GLY A 90 6.899 10.081 -10.325 1.00 3.24 C ATOM 1279 O GLY A 90 7.731 10.648 -9.617 1.00 42.10 O ATOM 0 H GLY A 90 6.175 7.944 -12.310 1.00 43.41 H new ATOM 0 HA2 GLY A 90 8.285 9.921 -11.947 1.00 61.23 H new ATOM 0 HA3 GLY A 90 6.626 10.187 -12.445 1.00 61.23 H new ATOM 1283 N SER A 91 5.663 9.814 -9.917 1.00 33.10 N ATOM 1284 CA SER A 91 5.200 10.184 -8.586 1.00 11.45 C ATOM 1285 C SER A 91 4.289 9.106 -8.007 1.00 32.44 C ATOM 1286 O SER A 91 3.918 8.155 -8.696 1.00 23.12 O ATOM 1287 CB SER A 91 4.459 11.522 -8.633 1.00 32.32 C ATOM 1288 OG SER A 91 5.348 12.588 -8.919 1.00 23.50 O ATOM 0 H SER A 91 4.964 9.342 -10.490 1.00 33.10 H new ATOM 0 HA SER A 91 6.073 10.283 -7.941 1.00 11.45 H new ATOM 0 HB2 SER A 91 3.678 11.482 -9.392 1.00 32.32 H new ATOM 0 HB3 SER A 91 3.966 11.702 -7.678 1.00 32.32 H new ATOM 0 HG SER A 91 4.850 13.431 -8.945 1.00 23.50 H new ATOM 1293 N LEU A 92 3.932 9.261 -6.736 1.00 74.43 N ATOM 1294 CA LEU A 92 3.064 8.301 -6.064 1.00 10.32 C ATOM 1295 C LEU A 92 1.795 8.055 -6.872 1.00 33.44 C ATOM 1296 O LEU A 92 1.293 6.932 -6.932 1.00 4.42 O ATOM 1297 CB LEU A 92 2.702 8.805 -4.665 1.00 13.12 C ATOM 1298 CG LEU A 92 3.725 8.521 -3.564 1.00 70.03 C ATOM 1299 CD1 LEU A 92 4.477 9.790 -3.196 1.00 42.52 C ATOM 1300 CD2 LEU A 92 3.041 7.931 -2.340 1.00 34.53 C ATOM 0 H LEU A 92 4.230 10.042 -6.151 1.00 74.43 H new ATOM 0 HA LEU A 92 3.604 7.358 -5.976 1.00 10.32 H new ATOM 0 HB2 LEU A 92 2.545 9.882 -4.718 1.00 13.12 H new ATOM 0 HB3 LEU A 92 1.751 8.358 -4.374 1.00 13.12 H new ATOM 0 HG LEU A 92 4.443 7.793 -3.940 1.00 70.03 H new ATOM 0 HD11 LEU A 92 5.201 9.569 -2.411 1.00 42.52 H new ATOM 0 HD12 LEU A 92 4.999 10.171 -4.074 1.00 42.52 H new ATOM 0 HD13 LEU A 92 3.772 10.540 -2.839 1.00 42.52 H new ATOM 0 HD21 LEU A 92 3.784 7.735 -1.567 1.00 34.53 H new ATOM 0 HD22 LEU A 92 2.301 8.636 -1.962 1.00 34.53 H new ATOM 0 HD23 LEU A 92 2.547 6.998 -2.613 1.00 34.53 H new ATOM 1311 N SER A 93 1.282 9.110 -7.496 1.00 10.32 N ATOM 1312 CA SER A 93 0.069 9.009 -8.300 1.00 22.21 C ATOM 1313 C SER A 93 0.328 8.209 -9.573 1.00 71.43 C ATOM 1314 O SER A 93 -0.545 7.487 -10.054 1.00 23.00 O ATOM 1315 CB SER A 93 -0.451 10.403 -8.655 1.00 64.51 C ATOM 1316 OG SER A 93 -1.423 10.837 -7.722 1.00 50.43 O ATOM 0 H SER A 93 1.687 10.045 -7.461 1.00 10.32 H new ATOM 0 HA SER A 93 -0.686 8.488 -7.712 1.00 22.21 H new ATOM 0 HB2 SER A 93 0.379 11.110 -8.676 1.00 64.51 H new ATOM 0 HB3 SER A 93 -0.883 10.389 -9.656 1.00 64.51 H new ATOM 0 HG SER A 93 -1.738 11.731 -7.970 1.00 50.43 H new ATOM 1321 N ALA A 94 1.534 8.345 -10.115 1.00 2.43 N ATOM 1322 CA ALA A 94 1.910 7.635 -11.331 1.00 42.31 C ATOM 1323 C ALA A 94 1.983 6.131 -11.089 1.00 2.23 C ATOM 1324 O ALA A 94 1.473 5.339 -11.882 1.00 62.43 O ATOM 1325 CB ALA A 94 3.242 8.152 -11.854 1.00 43.41 C ATOM 0 H ALA A 94 2.267 8.941 -9.731 1.00 2.43 H new ATOM 0 HA ALA A 94 1.141 7.819 -12.081 1.00 42.31 H new ATOM 0 HB1 ALA A 94 3.510 7.613 -12.762 1.00 43.41 H new ATOM 0 HB2 ALA A 94 3.158 9.216 -12.075 1.00 43.41 H new ATOM 0 HB3 ALA A 94 4.014 7.998 -11.100 1.00 43.41 H new ATOM 1331 N LEU A 95 2.619 5.744 -9.989 1.00 4.14 N ATOM 1332 CA LEU A 95 2.760 4.334 -9.642 1.00 14.41 C ATOM 1333 C LEU A 95 1.429 3.754 -9.171 1.00 72.34 C ATOM 1334 O LEU A 95 1.155 2.569 -9.359 1.00 75.23 O ATOM 1335 CB LEU A 95 3.818 4.160 -8.552 1.00 32.24 C ATOM 1336 CG LEU A 95 3.627 5.000 -7.290 1.00 2.22 C ATOM 1337 CD1 LEU A 95 2.665 4.315 -6.332 1.00 11.33 C ATOM 1338 CD2 LEU A 95 4.966 5.256 -6.612 1.00 53.54 C ATOM 0 H LEU A 95 3.045 6.387 -9.322 1.00 4.14 H new ATOM 0 HA LEU A 95 3.075 3.795 -10.535 1.00 14.41 H new ATOM 0 HB2 LEU A 95 3.844 3.109 -8.264 1.00 32.24 H new ATOM 0 HB3 LEU A 95 4.792 4.398 -8.978 1.00 32.24 H new ATOM 0 HG LEU A 95 3.198 5.960 -7.578 1.00 2.22 H new ATOM 0 HD11 LEU A 95 2.542 4.928 -5.439 1.00 11.33 H new ATOM 0 HD12 LEU A 95 1.698 4.184 -6.819 1.00 11.33 H new ATOM 0 HD13 LEU A 95 3.064 3.341 -6.050 1.00 11.33 H new ATOM 0 HD21 LEU A 95 4.811 5.856 -5.715 1.00 53.54 H new ATOM 0 HD22 LEU A 95 5.423 4.305 -6.338 1.00 53.54 H new ATOM 0 HD23 LEU A 95 5.624 5.791 -7.297 1.00 53.54 H new ATOM 1349 N VAL A 96 0.603 4.599 -8.561 1.00 22.33 N ATOM 1350 CA VAL A 96 -0.700 4.172 -8.066 1.00 72.11 C ATOM 1351 C VAL A 96 -1.656 3.881 -9.217 1.00 71.13 C ATOM 1352 O VAL A 96 -2.393 2.896 -9.192 1.00 53.33 O ATOM 1353 CB VAL A 96 -1.328 5.237 -7.148 1.00 32.34 C ATOM 1354 CG1 VAL A 96 -2.844 5.105 -7.136 1.00 73.43 C ATOM 1355 CG2 VAL A 96 -0.765 5.124 -5.739 1.00 22.43 C ATOM 0 H VAL A 96 0.814 5.584 -8.398 1.00 22.33 H new ATOM 0 HA VAL A 96 -0.538 3.259 -7.493 1.00 72.11 H new ATOM 0 HB VAL A 96 -1.076 6.223 -7.539 1.00 32.34 H new ATOM 0 HG11 VAL A 96 -3.270 5.866 -6.482 1.00 73.43 H new ATOM 0 HG12 VAL A 96 -3.229 5.239 -8.147 1.00 73.43 H new ATOM 0 HG13 VAL A 96 -3.120 4.116 -6.770 1.00 73.43 H new ATOM 0 HG21 VAL A 96 -1.220 5.884 -5.104 1.00 22.43 H new ATOM 0 HG22 VAL A 96 -0.986 4.135 -5.337 1.00 22.43 H new ATOM 0 HG23 VAL A 96 0.315 5.272 -5.766 1.00 22.43 H new ATOM 1365 N SER A 97 -1.637 4.746 -10.227 1.00 34.54 N ATOM 1366 CA SER A 97 -2.504 4.583 -11.389 1.00 41.41 C ATOM 1367 C SER A 97 -2.035 3.422 -12.261 1.00 42.51 C ATOM 1368 O SER A 97 -2.847 2.671 -12.800 1.00 11.33 O ATOM 1369 CB SER A 97 -2.537 5.873 -12.210 1.00 33.11 C ATOM 1370 OG SER A 97 -3.700 6.631 -11.925 1.00 55.32 O ATOM 0 H SER A 97 -1.031 5.566 -10.264 1.00 34.54 H new ATOM 0 HA SER A 97 -3.510 4.361 -11.033 1.00 41.41 H new ATOM 0 HB2 SER A 97 -1.650 6.468 -11.994 1.00 33.11 H new ATOM 0 HB3 SER A 97 -2.508 5.632 -13.273 1.00 33.11 H new ATOM 0 HG SER A 97 -3.696 7.451 -12.462 1.00 55.32 H new ATOM 1375 N GLN A 98 -0.720 3.285 -12.393 1.00 0.32 N ATOM 1376 CA GLN A 98 -0.142 2.216 -13.199 1.00 54.25 C ATOM 1377 C GLN A 98 -0.302 0.866 -12.509 1.00 24.33 C ATOM 1378 O GLN A 98 -0.547 -0.151 -13.160 1.00 43.04 O ATOM 1379 CB GLN A 98 1.337 2.494 -13.466 1.00 65.55 C ATOM 1380 CG GLN A 98 1.579 3.697 -14.365 1.00 21.23 C ATOM 1381 CD GLN A 98 1.792 3.309 -15.814 1.00 71.23 C ATOM 1382 OE1 GLN A 98 2.829 2.748 -16.173 1.00 55.11 O ATOM 1383 NE2 GLN A 98 0.812 3.607 -16.658 1.00 15.41 N ATOM 0 H GLN A 98 -0.035 3.900 -11.953 1.00 0.32 H new ATOM 0 HA GLN A 98 -0.675 2.182 -14.149 1.00 54.25 H new ATOM 0 HB2 GLN A 98 1.845 2.654 -12.515 1.00 65.55 H new ATOM 0 HB3 GLN A 98 1.787 1.613 -13.924 1.00 65.55 H new ATOM 0 HG2 GLN A 98 0.728 4.375 -14.296 1.00 21.23 H new ATOM 0 HG3 GLN A 98 2.452 4.243 -14.007 1.00 21.23 H new ATOM 0 HE21 GLN A 98 -0.030 4.072 -16.318 1.00 15.41 H new ATOM 0 HE22 GLN A 98 0.901 3.371 -17.646 1.00 15.41 H new ATOM 1390 N HIS A 99 -0.161 0.862 -11.187 1.00 41.23 N ATOM 1391 CA HIS A 99 -0.291 -0.365 -10.408 1.00 70.54 C ATOM 1392 C HIS A 99 -1.691 -0.953 -10.550 1.00 1.53 C ATOM 1393 O HIS A 99 -1.916 -2.124 -10.244 1.00 52.12 O ATOM 1394 CB HIS A 99 0.016 -0.092 -8.935 1.00 11.13 C ATOM 1395 CG HIS A 99 1.467 -0.230 -8.589 1.00 54.30 C ATOM 1396 ND1 HIS A 99 1.908 -0.700 -7.371 1.00 3.22 N ATOM 1397 CD2 HIS A 99 2.579 0.041 -9.312 1.00 40.43 C ATOM 1398 CE1 HIS A 99 3.229 -0.709 -7.358 1.00 13.13 C ATOM 1399 NE2 HIS A 99 3.661 -0.265 -8.524 1.00 52.44 N ATOM 0 H HIS A 99 0.043 1.694 -10.633 1.00 41.23 H new ATOM 0 HA HIS A 99 0.427 -1.089 -10.792 1.00 70.54 H new ATOM 0 HB2 HIS A 99 -0.314 0.916 -8.684 1.00 11.13 H new ATOM 0 HB3 HIS A 99 -0.563 -0.780 -8.318 1.00 11.13 H new ATOM 0 HD1 HIS A 99 1.308 -0.995 -6.600 1.00 3.22 H new ATOM 0 HD2 HIS A 99 2.609 0.426 -10.321 1.00 40.43 H new ATOM 0 HE1 HIS A 99 3.850 -1.026 -6.533 1.00 13.13 H new ATOM 1406 N SER A 100 -2.628 -0.132 -11.012 1.00 54.32 N ATOM 1407 CA SER A 100 -4.008 -0.570 -11.189 1.00 33.20 C ATOM 1408 C SER A 100 -4.254 -1.029 -12.623 1.00 3.11 C ATOM 1409 O SER A 100 -5.389 -1.297 -13.015 1.00 74.00 O ATOM 1410 CB SER A 100 -4.974 0.561 -10.831 1.00 72.14 C ATOM 1411 OG SER A 100 -5.119 1.469 -11.910 1.00 12.24 O ATOM 0 H SER A 100 -2.457 0.840 -11.271 1.00 54.32 H new ATOM 0 HA SER A 100 -4.183 -1.414 -10.521 1.00 33.20 H new ATOM 0 HB2 SER A 100 -5.946 0.144 -10.570 1.00 72.14 H new ATOM 0 HB3 SER A 100 -4.608 1.091 -9.952 1.00 72.14 H new ATOM 0 HG SER A 100 -4.234 1.730 -12.239 1.00 12.24 H new ATOM 1416 N ILE A 101 -3.180 -1.116 -13.401 1.00 25.53 N ATOM 1417 CA ILE A 101 -3.278 -1.543 -14.791 1.00 24.20 C ATOM 1418 C ILE A 101 -2.244 -2.619 -15.110 1.00 13.40 C ATOM 1419 O ILE A 101 -2.516 -3.549 -15.870 1.00 42.33 O ATOM 1420 CB ILE A 101 -3.084 -0.360 -15.759 1.00 23.54 C ATOM 1421 CG1 ILE A 101 -3.980 0.812 -15.351 1.00 62.02 C ATOM 1422 CG2 ILE A 101 -3.381 -0.790 -17.188 1.00 3.41 C ATOM 1423 CD1 ILE A 101 -3.830 2.025 -16.243 1.00 52.11 C ATOM 0 H ILE A 101 -2.233 -0.897 -13.092 1.00 25.53 H new ATOM 0 HA ILE A 101 -4.279 -1.952 -14.925 1.00 24.20 H new ATOM 0 HB ILE A 101 -2.045 -0.034 -15.708 1.00 23.54 H new ATOM 0 HG12 ILE A 101 -5.020 0.486 -15.366 1.00 62.02 H new ATOM 0 HG13 ILE A 101 -3.749 1.095 -14.324 1.00 62.02 H new ATOM 0 HG21 ILE A 101 -3.239 0.057 -17.860 1.00 3.41 H new ATOM 0 HG22 ILE A 101 -2.705 -1.596 -17.473 1.00 3.41 H new ATOM 0 HG23 ILE A 101 -4.411 -1.139 -17.256 1.00 3.41 H new ATOM 0 HD11 ILE A 101 -4.494 2.816 -15.896 1.00 52.11 H new ATOM 0 HD12 ILE A 101 -2.799 2.376 -16.210 1.00 52.11 H new ATOM 0 HD13 ILE A 101 -4.089 1.758 -17.267 1.00 52.11 H new ATOM 1434 N SER A 102 -1.061 -2.488 -14.521 1.00 25.33 N ATOM 1435 CA SER A 102 0.014 -3.449 -14.743 1.00 63.23 C ATOM 1436 C SER A 102 0.942 -3.513 -13.534 1.00 24.54 C ATOM 1437 O SER A 102 1.990 -2.868 -13.488 1.00 4.44 O ATOM 1438 CB SER A 102 0.812 -3.073 -15.993 1.00 40.33 C ATOM 1439 OG SER A 102 1.765 -4.073 -16.310 1.00 3.44 O ATOM 0 H SER A 102 -0.822 -1.726 -13.886 1.00 25.33 H new ATOM 0 HA SER A 102 -0.434 -4.432 -14.889 1.00 63.23 H new ATOM 0 HB2 SER A 102 0.132 -2.934 -16.834 1.00 40.33 H new ATOM 0 HB3 SER A 102 1.319 -2.121 -15.832 1.00 40.33 H new ATOM 0 HG SER A 102 2.261 -3.810 -17.113 1.00 3.44 H new ATOM 1444 N PRO A 103 0.550 -4.312 -12.530 1.00 31.44 N ATOM 1445 CA PRO A 103 1.332 -4.483 -11.302 1.00 62.45 C ATOM 1446 C PRO A 103 2.627 -5.254 -11.541 1.00 43.45 C ATOM 1447 O PRO A 103 2.622 -6.310 -12.172 1.00 74.50 O ATOM 1448 CB PRO A 103 0.395 -5.281 -10.392 1.00 52.05 C ATOM 1449 CG PRO A 103 -0.507 -6.011 -11.326 1.00 53.40 C ATOM 1450 CD PRO A 103 -0.686 -5.112 -12.518 1.00 2.21 C ATOM 0 HA PRO A 103 1.644 -3.527 -10.882 1.00 62.45 H new ATOM 0 HB2 PRO A 103 0.952 -5.971 -9.758 1.00 52.05 H new ATOM 0 HB3 PRO A 103 -0.169 -4.624 -9.730 1.00 52.05 H new ATOM 0 HG2 PRO A 103 -0.073 -6.967 -11.620 1.00 53.40 H new ATOM 0 HG3 PRO A 103 -1.465 -6.228 -10.853 1.00 53.40 H new ATOM 0 HD2 PRO A 103 -0.804 -5.684 -13.439 1.00 2.21 H new ATOM 0 HD3 PRO A 103 -1.571 -4.483 -12.418 1.00 2.21 H new ATOM 1455 N ILE A 104 3.731 -4.719 -11.032 1.00 64.33 N ATOM 1456 CA ILE A 104 5.031 -5.358 -11.189 1.00 65.50 C ATOM 1457 C ILE A 104 5.021 -6.772 -10.619 1.00 42.30 C ATOM 1458 O ILE A 104 4.999 -7.753 -11.363 1.00 11.30 O ATOM 1459 CB ILE A 104 6.145 -4.546 -10.501 1.00 31.12 C ATOM 1460 CG1 ILE A 104 6.225 -3.141 -11.099 1.00 42.25 C ATOM 1461 CG2 ILE A 104 7.480 -5.262 -10.633 1.00 24.23 C ATOM 1462 CD1 ILE A 104 6.053 -2.039 -10.076 1.00 61.44 C ATOM 0 H ILE A 104 3.751 -3.845 -10.507 1.00 64.33 H new ATOM 0 HA ILE A 104 5.234 -5.402 -12.259 1.00 65.50 H new ATOM 0 HB ILE A 104 5.907 -4.455 -9.441 1.00 31.12 H new ATOM 0 HG12 ILE A 104 7.189 -3.020 -11.594 1.00 42.25 H new ATOM 0 HG13 ILE A 104 5.458 -3.037 -11.866 1.00 42.25 H new ATOM 0 HG21 ILE A 104 8.257 -4.676 -10.142 1.00 24.23 H new ATOM 0 HG22 ILE A 104 7.414 -6.244 -10.164 1.00 24.23 H new ATOM 0 HG23 ILE A 104 7.727 -5.380 -11.688 1.00 24.23 H new ATOM 0 HD11 ILE A 104 6.121 -1.070 -10.570 1.00 61.44 H new ATOM 0 HD12 ILE A 104 5.078 -2.135 -9.598 1.00 61.44 H new ATOM 0 HD13 ILE A 104 6.836 -2.117 -9.322 1.00 61.44 H new ATOM 1473 N SER A 105 5.036 -6.870 -9.293 1.00 40.04 N ATOM 1474 CA SER A 105 5.031 -8.164 -8.622 1.00 15.35 C ATOM 1475 C SER A 105 3.868 -8.261 -7.639 1.00 15.12 C ATOM 1476 O SER A 105 3.904 -9.048 -6.692 1.00 74.31 O ATOM 1477 CB SER A 105 6.354 -8.387 -7.887 1.00 74.23 C ATOM 1478 OG SER A 105 6.749 -9.747 -7.949 1.00 41.33 O ATOM 0 H SER A 105 5.052 -6.068 -8.663 1.00 40.04 H new ATOM 0 HA SER A 105 4.910 -8.938 -9.380 1.00 15.35 H new ATOM 0 HB2 SER A 105 7.129 -7.760 -8.328 1.00 74.23 H new ATOM 0 HB3 SER A 105 6.251 -8.082 -6.846 1.00 74.23 H new ATOM 0 HG SER A 105 7.598 -9.863 -7.473 1.00 41.33 H new ATOM 1483 N LEU A 106 2.836 -7.457 -7.872 1.00 41.20 N ATOM 1484 CA LEU A 106 1.661 -7.452 -7.008 1.00 52.21 C ATOM 1485 C LEU A 106 0.723 -8.603 -7.356 1.00 30.50 C ATOM 1486 O LEU A 106 0.704 -9.101 -8.482 1.00 0.55 O ATOM 1487 CB LEU A 106 0.919 -6.120 -7.133 1.00 12.31 C ATOM 1488 CG LEU A 106 1.788 -4.889 -7.391 1.00 45.50 C ATOM 1489 CD1 LEU A 106 0.927 -3.637 -7.481 1.00 24.50 C ATOM 1490 CD2 LEU A 106 2.837 -4.738 -6.298 1.00 61.30 C ATOM 0 H LEU A 106 2.789 -6.801 -8.651 1.00 41.20 H new ATOM 0 HA LEU A 106 1.997 -7.580 -5.979 1.00 52.21 H new ATOM 0 HB2 LEU A 106 0.195 -6.205 -7.943 1.00 12.31 H new ATOM 0 HB3 LEU A 106 0.353 -5.955 -6.216 1.00 12.31 H new ATOM 0 HG LEU A 106 2.300 -5.023 -8.344 1.00 45.50 H new ATOM 0 HD11 LEU A 106 1.563 -2.771 -7.665 1.00 24.50 H new ATOM 0 HD12 LEU A 106 0.214 -3.744 -8.298 1.00 24.50 H new ATOM 0 HD13 LEU A 106 0.387 -3.499 -6.544 1.00 24.50 H new ATOM 0 HD21 LEU A 106 3.446 -3.857 -6.498 1.00 61.30 H new ATOM 0 HD22 LEU A 106 2.343 -4.626 -5.333 1.00 61.30 H new ATOM 0 HD23 LEU A 106 3.473 -5.623 -6.280 1.00 61.30 H new ATOM 1501 N PRO A 107 -0.073 -9.037 -6.369 1.00 13.41 N ATOM 1502 CA PRO A 107 -1.031 -10.134 -6.547 1.00 45.30 C ATOM 1503 C PRO A 107 -2.196 -9.744 -7.449 1.00 72.21 C ATOM 1504 O PRO A 107 -2.865 -10.606 -8.021 1.00 73.42 O ATOM 1505 CB PRO A 107 -1.524 -10.408 -5.124 1.00 24.10 C ATOM 1506 CG PRO A 107 -1.328 -9.121 -4.400 1.00 32.32 C ATOM 1507 CD PRO A 107 -0.103 -8.490 -5.002 1.00 3.43 C ATOM 0 HA PRO A 107 -0.576 -10.999 -7.029 1.00 45.30 H new ATOM 0 HB2 PRO A 107 -2.572 -10.709 -5.119 1.00 24.10 H new ATOM 0 HB3 PRO A 107 -0.958 -11.215 -4.658 1.00 24.10 H new ATOM 0 HG2 PRO A 107 -2.197 -8.473 -4.514 1.00 32.32 H new ATOM 0 HG3 PRO A 107 -1.195 -9.291 -3.332 1.00 32.32 H new ATOM 0 HD2 PRO A 107 -0.172 -7.402 -5.006 1.00 3.43 H new ATOM 0 HD3 PRO A 107 0.797 -8.750 -4.445 1.00 3.43 H new ATOM 1512 N CYS A 108 -2.433 -8.443 -7.573 1.00 13.13 N ATOM 1513 CA CYS A 108 -3.520 -7.940 -8.407 1.00 31.42 C ATOM 1514 C CYS A 108 -3.429 -6.426 -8.564 1.00 22.40 C ATOM 1515 O CYS A 108 -2.746 -5.752 -7.791 1.00 65.43 O ATOM 1516 CB CYS A 108 -4.872 -8.322 -7.804 1.00 0.04 C ATOM 1517 SG CYS A 108 -6.059 -8.972 -9.003 1.00 61.11 S ATOM 0 H CYS A 108 -1.888 -7.717 -7.107 1.00 13.13 H new ATOM 0 HA CYS A 108 -3.429 -8.395 -9.393 1.00 31.42 H new ATOM 0 HB2 CYS A 108 -4.713 -9.068 -7.026 1.00 0.04 H new ATOM 0 HB3 CYS A 108 -5.303 -7.445 -7.321 1.00 0.04 H new ATOM 0 HG CYS A 108 -7.170 -9.268 -8.397 1.00 61.11 H new ATOM 1522 N CYS A 109 -4.119 -5.898 -9.568 1.00 0.12 N ATOM 1523 CA CYS A 109 -4.114 -4.463 -9.828 1.00 61.02 C ATOM 1524 C CYS A 109 -4.708 -3.695 -8.652 1.00 70.22 C ATOM 1525 O CYS A 109 -5.781 -4.036 -8.152 1.00 33.11 O ATOM 1526 CB CYS A 109 -4.898 -4.152 -11.104 1.00 65.23 C ATOM 1527 SG CYS A 109 -4.415 -5.154 -12.529 1.00 72.51 S ATOM 0 H CYS A 109 -4.689 -6.442 -10.216 1.00 0.12 H new ATOM 0 HA CYS A 109 -3.079 -4.146 -9.960 1.00 61.02 H new ATOM 0 HB2 CYS A 109 -5.960 -4.302 -10.911 1.00 65.23 H new ATOM 0 HB3 CYS A 109 -4.765 -3.099 -11.352 1.00 65.23 H new ATOM 0 HG CYS A 109 -5.135 -4.820 -13.559 1.00 72.51 H new ATOM 1532 N LEU A 110 -4.004 -2.657 -8.213 1.00 21.33 N ATOM 1533 CA LEU A 110 -4.461 -1.842 -7.093 1.00 65.13 C ATOM 1534 C LEU A 110 -5.832 -1.239 -7.383 1.00 21.14 C ATOM 1535 O LEU A 110 -6.069 -0.705 -8.465 1.00 54.24 O ATOM 1536 CB LEU A 110 -3.452 -0.728 -6.804 1.00 5.35 C ATOM 1537 CG LEU A 110 -3.907 0.349 -5.819 1.00 40.44 C ATOM 1538 CD1 LEU A 110 -2.725 0.875 -5.019 1.00 40.22 C ATOM 1539 CD2 LEU A 110 -4.603 1.485 -6.555 1.00 41.41 C ATOM 0 H LEU A 110 -3.115 -2.360 -8.616 1.00 21.33 H new ATOM 0 HA LEU A 110 -4.545 -2.485 -6.217 1.00 65.13 H new ATOM 0 HB2 LEU A 110 -2.539 -1.183 -6.419 1.00 5.35 H new ATOM 0 HB3 LEU A 110 -3.194 -0.245 -7.746 1.00 5.35 H new ATOM 0 HG LEU A 110 -4.619 -0.098 -5.125 1.00 40.44 H new ATOM 0 HD11 LEU A 110 -3.068 1.641 -4.323 1.00 40.22 H new ATOM 0 HD12 LEU A 110 -2.270 0.056 -4.462 1.00 40.22 H new ATOM 0 HD13 LEU A 110 -1.989 1.305 -5.698 1.00 40.22 H new ATOM 0 HD21 LEU A 110 -4.920 2.243 -5.838 1.00 41.41 H new ATOM 0 HD22 LEU A 110 -3.914 1.930 -7.272 1.00 41.41 H new ATOM 0 HD23 LEU A 110 -5.475 1.097 -7.082 1.00 41.41 H new ATOM 1550 N ARG A 111 -6.729 -1.327 -6.405 1.00 62.55 N ATOM 1551 CA ARG A 111 -8.075 -0.790 -6.555 1.00 73.11 C ATOM 1552 C ARG A 111 -8.137 0.662 -6.087 1.00 72.32 C ATOM 1553 O ARG A 111 -7.740 0.980 -4.966 1.00 51.42 O ATOM 1554 CB ARG A 111 -9.075 -1.635 -5.763 1.00 42.32 C ATOM 1555 CG ARG A 111 -9.229 -3.051 -6.292 1.00 54.00 C ATOM 1556 CD ARG A 111 -9.764 -3.058 -7.716 1.00 71.41 C ATOM 1557 NE ARG A 111 -10.747 -4.118 -7.928 1.00 4.14 N ATOM 1558 CZ ARG A 111 -12.011 -4.038 -7.528 1.00 41.13 C ATOM 1559 NH1 ARG A 111 -12.443 -2.953 -6.901 1.00 41.44 N ATOM 1560 NH2 ARG A 111 -12.845 -5.043 -7.756 1.00 74.30 N ATOM 0 H ARG A 111 -6.547 -1.765 -5.502 1.00 62.55 H new ATOM 0 HA ARG A 111 -8.337 -0.824 -7.612 1.00 73.11 H new ATOM 0 HB2 ARG A 111 -8.757 -1.678 -4.721 1.00 42.32 H new ATOM 0 HB3 ARG A 111 -10.047 -1.142 -5.779 1.00 42.32 H new ATOM 0 HG2 ARG A 111 -8.265 -3.559 -6.262 1.00 54.00 H new ATOM 0 HG3 ARG A 111 -9.905 -3.611 -5.645 1.00 54.00 H new ATOM 0 HD2 ARG A 111 -10.219 -2.092 -7.937 1.00 71.41 H new ATOM 0 HD3 ARG A 111 -8.936 -3.187 -8.413 1.00 71.41 H new ATOM 0 HE ARG A 111 -10.446 -4.965 -8.409 1.00 4.14 H new ATOM 0 HH11 ARG A 111 -11.804 -2.177 -6.725 1.00 41.44 H new ATOM 0 HH12 ARG A 111 -13.414 -2.894 -6.595 1.00 41.44 H new ATOM 0 HH21 ARG A 111 -12.516 -5.879 -8.239 1.00 74.30 H new ATOM 0 HH22 ARG A 111 -13.815 -4.980 -7.448 1.00 74.30 H new ATOM 1571 N ILE A 112 -8.636 1.536 -6.954 1.00 12.41 N ATOM 1572 CA ILE A 112 -8.750 2.953 -6.630 1.00 61.11 C ATOM 1573 C ILE A 112 -10.209 3.394 -6.598 1.00 11.13 C ATOM 1574 O ILE A 112 -11.087 2.761 -7.184 1.00 53.23 O ATOM 1575 CB ILE A 112 -7.983 3.825 -7.641 1.00 10.11 C ATOM 1576 CG1 ILE A 112 -8.096 3.233 -9.048 1.00 40.41 C ATOM 1577 CG2 ILE A 112 -6.524 3.954 -7.230 1.00 72.35 C ATOM 1578 CD1 ILE A 112 -7.638 4.175 -10.138 1.00 42.12 C ATOM 0 H ILE A 112 -8.968 1.288 -7.886 1.00 12.41 H new ATOM 0 HA ILE A 112 -8.311 3.087 -5.641 1.00 61.11 H new ATOM 0 HB ILE A 112 -8.427 4.821 -7.650 1.00 10.11 H new ATOM 0 HG12 ILE A 112 -7.505 2.319 -9.097 1.00 40.41 H new ATOM 0 HG13 ILE A 112 -9.133 2.953 -9.233 1.00 40.41 H new ATOM 0 HG21 ILE A 112 -5.995 4.573 -7.955 1.00 72.35 H new ATOM 0 HG22 ILE A 112 -6.463 4.416 -6.245 1.00 72.35 H new ATOM 0 HG23 ILE A 112 -6.067 2.965 -7.196 1.00 72.35 H new ATOM 0 HD11 ILE A 112 -7.746 3.689 -11.108 1.00 42.12 H new ATOM 0 HD12 ILE A 112 -8.245 5.080 -10.116 1.00 42.12 H new ATOM 0 HD13 ILE A 112 -6.592 4.436 -9.978 1.00 42.12 H new ATOM 1589 N PRO A 113 -10.475 4.506 -5.898 1.00 40.54 N ATOM 1590 CA PRO A 113 -11.827 5.059 -5.775 1.00 44.15 C ATOM 1591 C PRO A 113 -12.336 5.646 -7.088 1.00 22.14 C ATOM 1592 O PRO A 113 -11.713 5.479 -8.135 1.00 20.34 O ATOM 1593 CB PRO A 113 -11.665 6.162 -4.724 1.00 51.03 C ATOM 1594 CG PRO A 113 -10.232 6.560 -4.811 1.00 22.14 C ATOM 1595 CD PRO A 113 -9.477 5.311 -5.174 1.00 42.25 C ATOM 0 HA PRO A 113 -12.556 4.295 -5.504 1.00 44.15 H new ATOM 0 HB2 PRO A 113 -12.324 7.006 -4.931 1.00 51.03 H new ATOM 0 HB3 PRO A 113 -11.915 5.799 -3.727 1.00 51.03 H new ATOM 0 HG2 PRO A 113 -10.087 7.336 -5.563 1.00 22.14 H new ATOM 0 HG3 PRO A 113 -9.881 6.966 -3.862 1.00 22.14 H new ATOM 0 HD2 PRO A 113 -8.611 5.532 -5.797 1.00 42.25 H new ATOM 0 HD3 PRO A 113 -9.109 4.793 -4.289 1.00 42.25 H new ATOM 1600 N SER A 114 -13.472 6.333 -7.022 1.00 61.23 N ATOM 1601 CA SER A 114 -14.066 6.941 -8.207 1.00 33.11 C ATOM 1602 C SER A 114 -14.165 8.455 -8.050 1.00 23.12 C ATOM 1603 O SER A 114 -15.191 9.058 -8.360 1.00 54.20 O ATOM 1604 CB SER A 114 -15.454 6.352 -8.467 1.00 2.11 C ATOM 1605 OG SER A 114 -15.968 6.788 -9.713 1.00 42.44 O ATOM 0 H SER A 114 -13.999 6.482 -6.162 1.00 61.23 H new ATOM 0 HA SER A 114 -13.421 6.723 -9.058 1.00 33.11 H new ATOM 0 HB2 SER A 114 -15.399 5.263 -8.454 1.00 2.11 H new ATOM 0 HB3 SER A 114 -16.133 6.646 -7.667 1.00 2.11 H new ATOM 0 HG SER A 114 -15.959 7.767 -9.746 1.00 42.44 H new ATOM 1610 N LYS A 115 -13.088 9.064 -7.564 1.00 52.44 N ATOM 1611 CA LYS A 115 -13.050 10.508 -7.364 1.00 62.44 C ATOM 1612 C LYS A 115 -14.251 10.977 -6.548 1.00 21.42 C ATOM 1613 O LYS A 115 -14.483 10.498 -5.438 1.00 1.14 O ATOM 1614 CB LYS A 115 -13.025 11.229 -8.714 1.00 2.24 C ATOM 1615 CG LYS A 115 -11.668 11.815 -9.066 1.00 1.32 C ATOM 1616 CD LYS A 115 -11.604 12.233 -10.525 1.00 22.54 C ATOM 1617 CE LYS A 115 -10.187 12.132 -11.071 1.00 32.22 C ATOM 1618 NZ LYS A 115 -9.985 10.885 -11.860 1.00 64.10 N ATOM 0 H LYS A 115 -12.230 8.579 -7.301 1.00 52.44 H new ATOM 0 HA LYS A 115 -12.142 10.749 -6.812 1.00 62.44 H new ATOM 0 HB2 LYS A 115 -13.323 10.530 -9.495 1.00 2.24 H new ATOM 0 HB3 LYS A 115 -13.765 12.029 -8.703 1.00 2.24 H new ATOM 0 HG2 LYS A 115 -11.467 12.677 -8.430 1.00 1.32 H new ATOM 0 HG3 LYS A 115 -10.889 11.080 -8.862 1.00 1.32 H new ATOM 0 HD2 LYS A 115 -12.269 11.602 -11.115 1.00 22.54 H new ATOM 0 HD3 LYS A 115 -11.963 13.257 -10.628 1.00 22.54 H new ATOM 0 HE2 LYS A 115 -9.977 12.998 -11.699 1.00 32.22 H new ATOM 0 HE3 LYS A 115 -9.477 12.158 -10.245 1.00 32.22 H new ATOM 0 HZ1 LYS A 115 -9.008 10.853 -12.215 1.00 64.10 H new ATOM 0 HZ2 LYS A 115 -10.160 10.058 -11.254 1.00 64.10 H new ATOM 0 HZ3 LYS A 115 -10.645 10.872 -12.663 1.00 64.10 H new TER 1628 LYS A 115