USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 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 Set 1.1: A 108 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 109 CYS SG : rot 27:sc= 0.0823 USER MOD Set 2.1: A 83 CYS SG : rot 160:sc= -1.46 USER MOD Set 2.2: A 105 SER OG : rot -170:sc= 0 USER MOD Set 3.1: A 79 LYS NZ :NH3+ -107:sc= 0.746 (180deg=-0.0995) USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= 0.655 USER MOD Set 4.1: A 8 TYR OH : rot 180:sc= 0.0138 USER MOD Set 4.2: A 41 TYR OH : rot 159:sc= 0.0162 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0 (180deg=-0.103) USER MOD Single : A 3 THR OG1 : rot -150:sc= -0.155 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.145 USER MOD Single : A 16 GLN : amide:sc= -0.441 K(o=-0.44,f=-2.5) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 HE2:sc= 0.00363 X(o=0.0036,f=-0.044) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0063 X(o=-0.0063,f=-0.4) USER MOD Single : A 46 LYS NZ :NH3+ -147:sc= -0.311 (180deg=-1.69!) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.871 USER MOD Single : A 53 SER OG : rot 11:sc= 0.849 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 68 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-1.1) 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 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : 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 83:sc= 0.167 USER MOD Single : A 98 GLN : amide:sc= -0.0193 K(o=-0.019,f=-0.88) USER MOD Single : A 99 HIS : no HD1:sc= -2.44 X(o=-2.4,f=-2.2) USER MOD Single : A 100 SER OG : rot -81:sc= 0.555 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -82:sc= 0.126 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.373 9.810 0.706 1.00 44.32 N ATOM 2 CA MET A 1 -17.188 10.011 1.531 1.00 62.40 C ATOM 3 C MET A 1 -16.183 8.882 1.322 1.00 11.25 C ATOM 4 O MET A 1 -15.860 8.145 2.254 1.00 14.45 O ATOM 5 CB MET A 1 -17.577 10.096 3.008 1.00 10.42 C ATOM 6 CG MET A 1 -18.399 8.911 3.489 1.00 4.32 C ATOM 7 SD MET A 1 -18.202 8.601 5.255 1.00 34.32 S ATOM 8 CE MET A 1 -18.027 6.817 5.266 1.00 1.21 C ATOM 0 H1 MET A 1 -19.121 10.466 1.008 1.00 44.32 H new ATOM 0 H2 MET A 1 -18.137 9.989 -0.291 1.00 44.32 H new ATOM 0 H3 MET A 1 -18.708 8.831 0.812 1.00 44.32 H new ATOM 0 HA MET A 1 -16.722 10.950 1.231 1.00 62.40 H new ATOM 0 HB2 MET A 1 -16.671 10.168 3.610 1.00 10.42 H new ATOM 0 HB3 MET A 1 -18.144 11.012 3.174 1.00 10.42 H new ATOM 0 HG2 MET A 1 -19.452 9.091 3.271 1.00 4.32 H new ATOM 0 HG3 MET A 1 -18.106 8.021 2.933 1.00 4.32 H new ATOM 0 HE1 MET A 1 -17.896 6.471 6.291 1.00 1.21 H new ATOM 0 HE2 MET A 1 -18.921 6.361 4.840 1.00 1.21 H new ATOM 0 HE3 MET A 1 -17.157 6.533 4.674 1.00 1.21 H new ATOM 16 N ASP A 2 -15.693 8.752 0.095 1.00 21.31 N ATOM 17 CA ASP A 2 -14.724 7.713 -0.236 1.00 2.54 C ATOM 18 C ASP A 2 -13.659 8.247 -1.187 1.00 70.44 C ATOM 19 O ASP A 2 -13.608 7.866 -2.358 1.00 51.21 O ATOM 20 CB ASP A 2 -15.429 6.510 -0.863 1.00 15.31 C ATOM 21 CG ASP A 2 -16.593 6.018 -0.024 1.00 24.42 C ATOM 22 OD1 ASP A 2 -16.346 5.315 0.978 1.00 64.12 O ATOM 23 OD2 ASP A 2 -17.749 6.336 -0.370 1.00 52.51 O ATOM 0 H ASP A 2 -15.951 9.353 -0.688 1.00 21.31 H new ATOM 0 HA ASP A 2 -14.236 7.398 0.686 1.00 2.54 H new ATOM 0 HB2 ASP A 2 -15.789 6.781 -1.856 1.00 15.31 H new ATOM 0 HB3 ASP A 2 -14.712 5.700 -0.994 1.00 15.31 H new ATOM 27 N THR A 3 -12.807 9.133 -0.679 1.00 14.00 N ATOM 28 CA THR A 3 -11.745 9.721 -1.484 1.00 21.32 C ATOM 29 C THR A 3 -10.371 9.358 -0.931 1.00 43.34 C ATOM 30 O THR A 3 -10.257 8.813 0.168 1.00 75.12 O ATOM 31 CB THR A 3 -11.871 11.255 -1.548 1.00 13.04 C ATOM 32 OG1 THR A 3 -12.713 11.721 -0.487 1.00 64.43 O ATOM 33 CG2 THR A 3 -12.443 11.695 -2.887 1.00 21.10 C ATOM 0 H THR A 3 -12.833 9.459 0.287 1.00 14.00 H new ATOM 0 HA THR A 3 -11.849 9.314 -2.490 1.00 21.32 H new ATOM 0 HB THR A 3 -10.876 11.685 -1.437 1.00 13.04 H new ATOM 0 HG1 THR A 3 -13.172 12.540 -0.769 1.00 64.43 H new ATOM 0 HG21 THR A 3 -12.523 12.782 -2.909 1.00 21.10 H new ATOM 0 HG22 THR A 3 -11.785 11.363 -3.690 1.00 21.10 H new ATOM 0 HG23 THR A 3 -13.431 11.256 -3.022 1.00 21.10 H new ATOM 41 N SER A 4 -9.329 9.666 -1.698 1.00 3.35 N ATOM 42 CA SER A 4 -7.962 9.369 -1.284 1.00 2.42 C ATOM 43 C SER A 4 -7.645 10.028 0.055 1.00 20.12 C ATOM 44 O SER A 4 -6.761 9.581 0.786 1.00 63.15 O ATOM 45 CB SER A 4 -6.972 9.844 -2.347 1.00 61.53 C ATOM 46 OG SER A 4 -6.964 11.259 -2.442 1.00 33.22 O ATOM 0 H SER A 4 -9.405 10.120 -2.608 1.00 3.35 H new ATOM 0 HA SER A 4 -7.869 8.289 -1.168 1.00 2.42 H new ATOM 0 HB2 SER A 4 -5.972 9.487 -2.102 1.00 61.53 H new ATOM 0 HB3 SER A 4 -7.236 9.413 -3.313 1.00 61.53 H new ATOM 0 HG SER A 4 -6.321 11.537 -3.128 1.00 33.22 H new ATOM 51 N LYS A 5 -8.372 11.095 0.369 1.00 32.04 N ATOM 52 CA LYS A 5 -8.171 11.817 1.620 1.00 34.52 C ATOM 53 C LYS A 5 -8.507 10.934 2.818 1.00 3.33 C ATOM 54 O LYS A 5 -7.982 11.132 3.914 1.00 23.13 O ATOM 55 CB LYS A 5 -9.032 13.081 1.647 1.00 3.21 C ATOM 56 CG LYS A 5 -10.524 12.802 1.592 1.00 63.33 C ATOM 57 CD LYS A 5 -11.296 14.000 1.064 1.00 60.03 C ATOM 58 CE LYS A 5 -12.579 14.227 1.849 1.00 22.55 C ATOM 59 NZ LYS A 5 -13.002 15.654 1.818 1.00 14.43 N ATOM 0 H LYS A 5 -9.106 11.479 -0.226 1.00 32.04 H new ATOM 0 HA LYS A 5 -7.120 12.099 1.683 1.00 34.52 H new ATOM 0 HB2 LYS A 5 -8.809 13.643 2.554 1.00 3.21 H new ATOM 0 HB3 LYS A 5 -8.758 13.715 0.804 1.00 3.21 H new ATOM 0 HG2 LYS A 5 -10.710 11.938 0.954 1.00 63.33 H new ATOM 0 HG3 LYS A 5 -10.884 12.546 2.588 1.00 63.33 H new ATOM 0 HD2 LYS A 5 -10.671 14.891 1.121 1.00 60.03 H new ATOM 0 HD3 LYS A 5 -11.535 13.845 0.012 1.00 60.03 H new ATOM 0 HE2 LYS A 5 -13.372 13.604 1.436 1.00 22.55 H new ATOM 0 HE3 LYS A 5 -12.433 13.914 2.883 1.00 22.55 H new ATOM 0 HZ1 LYS A 5 -13.880 15.768 2.364 1.00 14.43 H new ATOM 0 HZ2 LYS A 5 -12.256 16.246 2.235 1.00 14.43 H new ATOM 0 HZ3 LYS A 5 -13.166 15.946 0.833 1.00 14.43 H new ATOM 69 N PHE A 6 -9.385 9.960 2.602 1.00 2.32 N ATOM 70 CA PHE A 6 -9.791 9.047 3.665 1.00 70.43 C ATOM 71 C PHE A 6 -8.831 7.864 3.761 1.00 41.03 C ATOM 72 O PHE A 6 -8.593 7.333 4.845 1.00 22.21 O ATOM 73 CB PHE A 6 -11.215 8.544 3.417 1.00 62.00 C ATOM 74 CG PHE A 6 -12.143 8.782 4.574 1.00 53.45 C ATOM 75 CD1 PHE A 6 -12.342 10.062 5.067 1.00 51.25 C ATOM 76 CD2 PHE A 6 -12.818 7.727 5.167 1.00 51.03 C ATOM 77 CE1 PHE A 6 -13.195 10.284 6.132 1.00 54.13 C ATOM 78 CE2 PHE A 6 -13.673 7.943 6.231 1.00 70.21 C ATOM 79 CZ PHE A 6 -13.863 9.223 6.713 1.00 63.43 C ATOM 0 H PHE A 6 -9.829 9.782 1.701 1.00 2.32 H new ATOM 0 HA PHE A 6 -9.764 9.592 4.609 1.00 70.43 H new ATOM 0 HB2 PHE A 6 -11.617 9.036 2.531 1.00 62.00 H new ATOM 0 HB3 PHE A 6 -11.182 7.476 3.201 1.00 62.00 H new ATOM 0 HD1 PHE A 6 -11.825 10.895 4.614 1.00 51.25 H new ATOM 0 HD2 PHE A 6 -12.674 6.724 4.793 1.00 51.03 H new ATOM 0 HE1 PHE A 6 -13.339 11.286 6.510 1.00 54.13 H new ATOM 0 HE2 PHE A 6 -14.192 7.112 6.685 1.00 70.21 H new ATOM 0 HZ PHE A 6 -14.533 9.395 7.543 1.00 63.43 H new ATOM 88 N TRP A 7 -8.285 7.459 2.620 1.00 10.41 N ATOM 89 CA TRP A 7 -7.352 6.339 2.575 1.00 2.55 C ATOM 90 C TRP A 7 -5.919 6.816 2.786 1.00 12.45 C ATOM 91 O TRP A 7 -4.993 6.009 2.865 1.00 65.43 O ATOM 92 CB TRP A 7 -7.468 5.605 1.239 1.00 63.24 C ATOM 93 CG TRP A 7 -8.527 4.545 1.233 1.00 71.04 C ATOM 94 CD1 TRP A 7 -8.450 3.306 1.802 1.00 75.11 C ATOM 95 CD2 TRP A 7 -9.822 4.631 0.626 1.00 0.03 C ATOM 96 NE1 TRP A 7 -9.619 2.616 1.585 1.00 41.15 N ATOM 97 CE2 TRP A 7 -10.476 3.407 0.867 1.00 44.32 C ATOM 98 CE3 TRP A 7 -10.492 5.623 -0.095 1.00 13.13 C ATOM 99 CZ2 TRP A 7 -11.767 3.151 0.412 1.00 43.13 C ATOM 100 CZ3 TRP A 7 -11.772 5.367 -0.547 1.00 40.03 C ATOM 101 CH2 TRP A 7 -12.400 4.140 -0.292 1.00 21.43 C ATOM 0 H TRP A 7 -8.472 7.889 1.714 1.00 10.41 H new ATOM 0 HA TRP A 7 -7.608 5.652 3.381 1.00 2.55 H new ATOM 0 HB2 TRP A 7 -7.684 6.328 0.453 1.00 63.24 H new ATOM 0 HB3 TRP A 7 -6.507 5.150 0.998 1.00 63.24 H new ATOM 0 HD1 TRP A 7 -7.597 2.924 2.343 1.00 75.11 H new ATOM 0 HE1 TRP A 7 -9.816 1.668 1.907 1.00 41.15 H new ATOM 0 HE3 TRP A 7 -10.018 6.572 -0.295 1.00 13.13 H new ATOM 0 HZ2 TRP A 7 -12.252 2.206 0.608 1.00 43.13 H new ATOM 0 HZ3 TRP A 7 -12.298 6.126 -1.107 1.00 40.03 H new ATOM 0 HH2 TRP A 7 -13.402 3.972 -0.658 1.00 21.43 H new ATOM 111 N TYR A 8 -5.744 8.129 2.876 1.00 52.45 N ATOM 112 CA TYR A 8 -4.424 8.712 3.076 1.00 64.54 C ATOM 113 C TYR A 8 -4.307 9.340 4.461 1.00 52.42 C ATOM 114 O TYR A 8 -4.918 10.372 4.742 1.00 0.14 O ATOM 115 CB TYR A 8 -4.140 9.765 2.001 1.00 4.24 C ATOM 116 CG TYR A 8 -2.884 10.567 2.257 1.00 21.31 C ATOM 117 CD1 TYR A 8 -1.719 9.950 2.698 1.00 52.35 C ATOM 118 CD2 TYR A 8 -2.862 11.942 2.057 1.00 44.00 C ATOM 119 CE1 TYR A 8 -0.570 10.679 2.933 1.00 50.34 C ATOM 120 CE2 TYR A 8 -1.716 12.679 2.287 1.00 3.12 C ATOM 121 CZ TYR A 8 -0.572 12.043 2.726 1.00 12.51 C ATOM 122 OH TYR A 8 0.570 12.773 2.958 1.00 1.22 O ATOM 0 H TYR A 8 -6.501 8.810 2.814 1.00 52.45 H new ATOM 0 HA TYR A 8 -3.688 7.912 2.997 1.00 64.54 H new ATOM 0 HB2 TYR A 8 -4.055 9.271 1.033 1.00 4.24 H new ATOM 0 HB3 TYR A 8 -4.989 10.446 1.937 1.00 4.24 H new ATOM 0 HD1 TYR A 8 -1.712 8.882 2.860 1.00 52.35 H new ATOM 0 HD2 TYR A 8 -3.756 12.443 1.716 1.00 44.00 H new ATOM 0 HE1 TYR A 8 0.326 10.184 3.277 1.00 50.34 H new ATOM 0 HE2 TYR A 8 -1.715 13.747 2.124 1.00 3.12 H new ATOM 0 HH TYR A 8 0.399 13.718 2.763 1.00 1.22 H new ATOM 131 N LYS A 9 -3.519 8.709 5.325 1.00 1.21 N ATOM 132 CA LYS A 9 -3.320 9.204 6.682 1.00 64.44 C ATOM 133 C LYS A 9 -1.866 9.038 7.114 1.00 72.24 C ATOM 134 O LYS A 9 -1.378 7.927 7.322 1.00 61.12 O ATOM 135 CB LYS A 9 -4.240 8.466 7.657 1.00 22.31 C ATOM 136 CG LYS A 9 -5.702 8.852 7.523 1.00 34.33 C ATOM 137 CD LYS A 9 -5.928 10.314 7.867 1.00 63.32 C ATOM 138 CE LYS A 9 -6.826 10.469 9.085 1.00 73.12 C ATOM 139 NZ LYS A 9 -6.622 11.779 9.761 1.00 71.05 N ATOM 0 H LYS A 9 -3.008 7.853 5.109 1.00 1.21 H new ATOM 0 HA LYS A 9 -3.566 10.266 6.694 1.00 64.44 H new ATOM 0 HB2 LYS A 9 -4.140 7.393 7.496 1.00 22.31 H new ATOM 0 HB3 LYS A 9 -3.912 8.667 8.677 1.00 22.31 H new ATOM 0 HG2 LYS A 9 -6.037 8.661 6.503 1.00 34.33 H new ATOM 0 HG3 LYS A 9 -6.306 8.226 8.179 1.00 34.33 H new ATOM 0 HD2 LYS A 9 -4.969 10.796 8.057 1.00 63.32 H new ATOM 0 HD3 LYS A 9 -6.378 10.824 7.015 1.00 63.32 H new ATOM 0 HE2 LYS A 9 -7.869 10.375 8.782 1.00 73.12 H new ATOM 0 HE3 LYS A 9 -6.625 9.662 9.789 1.00 73.12 H new ATOM 0 HZ1 LYS A 9 -7.252 11.846 10.586 1.00 71.05 H new ATOM 0 HZ2 LYS A 9 -5.633 11.858 10.073 1.00 71.05 H new ATOM 0 HZ3 LYS A 9 -6.838 12.550 9.097 1.00 71.05 H new ATOM 149 N PRO A 10 -1.156 10.167 7.253 1.00 51.34 N ATOM 150 CA PRO A 10 0.252 10.173 7.663 1.00 12.44 C ATOM 151 C PRO A 10 0.432 9.764 9.121 1.00 42.30 C ATOM 152 O PRO A 10 1.405 9.098 9.474 1.00 60.24 O ATOM 153 CB PRO A 10 0.675 11.629 7.460 1.00 41.53 C ATOM 154 CG PRO A 10 -0.588 12.411 7.573 1.00 53.42 C ATOM 155 CD PRO A 10 -1.673 11.527 7.021 1.00 32.33 C ATOM 0 HA PRO A 10 0.846 9.459 7.092 1.00 12.44 H new ATOM 0 HB2 PRO A 10 1.401 11.939 8.212 1.00 41.53 H new ATOM 0 HB3 PRO A 10 1.144 11.773 6.486 1.00 41.53 H new ATOM 0 HG2 PRO A 10 -0.791 12.677 8.610 1.00 53.42 H new ATOM 0 HG3 PRO A 10 -0.521 13.343 7.012 1.00 53.42 H new ATOM 0 HD2 PRO A 10 -2.622 11.689 7.532 1.00 32.33 H new ATOM 0 HD3 PRO A 10 -1.845 11.716 5.961 1.00 32.33 H new ATOM 160 N HIS A 11 -0.513 10.167 9.965 1.00 72.04 N ATOM 161 CA HIS A 11 -0.459 9.841 11.386 1.00 62.51 C ATOM 162 C HIS A 11 -0.758 8.363 11.616 1.00 50.01 C ATOM 163 O HIS A 11 -0.409 7.803 12.655 1.00 21.23 O ATOM 164 CB HIS A 11 -1.452 10.703 12.166 1.00 22.43 C ATOM 165 CG HIS A 11 -1.119 12.163 12.152 1.00 25.33 C ATOM 166 ND1 HIS A 11 -2.026 13.138 11.795 1.00 23.25 N ATOM 167 CD2 HIS A 11 0.030 12.812 12.454 1.00 41.21 C ATOM 168 CE1 HIS A 11 -1.450 14.323 11.877 1.00 4.00 C ATOM 169 NE2 HIS A 11 -0.202 14.154 12.276 1.00 21.41 N ATOM 0 H HIS A 11 -1.325 10.720 9.690 1.00 72.04 H new ATOM 0 HA HIS A 11 0.549 10.049 11.744 1.00 62.51 H new ATOM 0 HB2 HIS A 11 -2.449 10.562 11.748 1.00 22.43 H new ATOM 0 HB3 HIS A 11 -1.488 10.357 13.199 1.00 22.43 H new ATOM 0 HD2 HIS A 11 0.956 12.359 12.775 1.00 41.21 H new ATOM 0 HE1 HIS A 11 -1.919 15.270 11.655 1.00 4.00 H new ATOM 0 HE2 HIS A 11 0.478 14.899 12.427 1.00 21.41 H new ATOM 176 N LEU A 12 -1.408 7.737 10.641 1.00 23.32 N ATOM 177 CA LEU A 12 -1.756 6.323 10.737 1.00 51.15 C ATOM 178 C LEU A 12 -0.504 5.462 10.866 1.00 22.03 C ATOM 179 O LEU A 12 0.555 5.806 10.342 1.00 65.22 O ATOM 180 CB LEU A 12 -2.561 5.892 9.510 1.00 32.05 C ATOM 181 CG LEU A 12 -3.387 4.614 9.666 1.00 42.42 C ATOM 182 CD1 LEU A 12 -4.367 4.749 10.821 1.00 62.24 C ATOM 183 CD2 LEU A 12 -4.124 4.295 8.373 1.00 2.34 C ATOM 0 H LEU A 12 -1.705 8.186 9.775 1.00 23.32 H new ATOM 0 HA LEU A 12 -2.364 6.183 11.631 1.00 51.15 H new ATOM 0 HB2 LEU A 12 -3.234 6.705 9.237 1.00 32.05 H new ATOM 0 HB3 LEU A 12 -1.871 5.756 8.677 1.00 32.05 H new ATOM 0 HG LEU A 12 -2.708 3.790 9.887 1.00 42.42 H new ATOM 0 HD11 LEU A 12 -4.946 3.830 10.916 1.00 62.24 H new ATOM 0 HD12 LEU A 12 -3.818 4.930 11.745 1.00 62.24 H new ATOM 0 HD13 LEU A 12 -5.041 5.584 10.631 1.00 62.24 H new ATOM 0 HD21 LEU A 12 -4.707 3.383 8.502 1.00 2.34 H new ATOM 0 HD22 LEU A 12 -4.791 5.119 8.122 1.00 2.34 H new ATOM 0 HD23 LEU A 12 -3.403 4.154 7.568 1.00 2.34 H new ATOM 194 N SER A 13 -0.633 4.340 11.567 1.00 11.02 N ATOM 195 CA SER A 13 0.489 3.430 11.766 1.00 13.24 C ATOM 196 C SER A 13 0.362 2.206 10.863 1.00 4.44 C ATOM 197 O SER A 13 -0.725 1.885 10.384 1.00 30.52 O ATOM 198 CB SER A 13 0.563 2.992 13.231 1.00 72.12 C ATOM 199 OG SER A 13 -0.637 3.304 13.917 1.00 5.13 O ATOM 0 H SER A 13 -1.503 4.039 12.006 1.00 11.02 H new ATOM 0 HA SER A 13 1.406 3.959 11.505 1.00 13.24 H new ATOM 0 HB2 SER A 13 0.748 1.919 13.284 1.00 72.12 H new ATOM 0 HB3 SER A 13 1.404 3.485 13.719 1.00 72.12 H new ATOM 0 HG SER A 13 -0.566 3.013 14.850 1.00 5.13 H new ATOM 204 N ARG A 14 1.482 1.527 10.637 1.00 45.14 N ATOM 205 CA ARG A 14 1.498 0.340 9.792 1.00 63.43 C ATOM 206 C ARG A 14 0.482 -0.689 10.279 1.00 45.43 C ATOM 207 O ARG A 14 -0.296 -1.228 9.493 1.00 11.15 O ATOM 208 CB ARG A 14 2.898 -0.279 9.772 1.00 53.14 C ATOM 209 CG ARG A 14 3.473 -0.529 11.157 1.00 71.23 C ATOM 210 CD ARG A 14 4.939 -0.925 11.088 1.00 55.10 C ATOM 211 NE ARG A 14 5.600 -0.809 12.385 1.00 54.20 N ATOM 212 CZ ARG A 14 6.912 -0.921 12.555 1.00 74.51 C ATOM 213 NH1 ARG A 14 7.701 -1.149 11.513 1.00 20.14 N ATOM 214 NH2 ARG A 14 7.438 -0.803 13.766 1.00 25.22 N ATOM 0 H ARG A 14 2.390 1.779 11.028 1.00 45.14 H new ATOM 0 HA ARG A 14 1.227 0.642 8.780 1.00 63.43 H new ATOM 0 HB2 ARG A 14 2.861 -1.222 9.227 1.00 53.14 H new ATOM 0 HB3 ARG A 14 3.570 0.380 9.222 1.00 53.14 H new ATOM 0 HG2 ARG A 14 3.366 0.370 11.764 1.00 71.23 H new ATOM 0 HG3 ARG A 14 2.905 -1.317 11.651 1.00 71.23 H new ATOM 0 HD2 ARG A 14 5.021 -1.951 10.730 1.00 55.10 H new ATOM 0 HD3 ARG A 14 5.451 -0.293 10.363 1.00 55.10 H new ATOM 0 HE ARG A 14 5.021 -0.632 13.206 1.00 54.20 H new ATOM 0 HH11 ARG A 14 7.300 -1.238 10.579 1.00 20.14 H new ATOM 0 HH12 ARG A 14 8.709 -1.235 11.645 1.00 20.14 H new ATOM 0 HH21 ARG A 14 6.835 -0.626 14.569 1.00 25.22 H new ATOM 0 HH22 ARG A 14 8.446 -0.889 13.895 1.00 25.22 H new ATOM 225 N ASP A 15 0.497 -0.955 11.581 1.00 73.25 N ATOM 226 CA ASP A 15 -0.424 -1.918 12.174 1.00 4.14 C ATOM 227 C ASP A 15 -1.872 -1.539 11.880 1.00 32.23 C ATOM 228 O ASP A 15 -2.695 -2.396 11.560 1.00 23.24 O ATOM 229 CB ASP A 15 -0.203 -2.003 13.685 1.00 22.44 C ATOM 230 CG ASP A 15 -0.800 -3.260 14.288 1.00 13.11 C ATOM 231 OD1 ASP A 15 -0.282 -4.360 14.002 1.00 53.51 O ATOM 232 OD2 ASP A 15 -1.784 -3.143 15.046 1.00 53.41 O ATOM 0 H ASP A 15 1.136 -0.518 12.245 1.00 73.25 H new ATOM 0 HA ASP A 15 -0.226 -2.893 11.730 1.00 4.14 H new ATOM 0 HB2 ASP A 15 0.866 -1.975 13.895 1.00 22.44 H new ATOM 0 HB3 ASP A 15 -0.645 -1.129 14.164 1.00 22.44 H new ATOM 236 N GLN A 16 -2.174 -0.250 11.991 1.00 50.03 N ATOM 237 CA GLN A 16 -3.523 0.242 11.738 1.00 14.22 C ATOM 238 C GLN A 16 -3.930 -0.004 10.289 1.00 33.20 C ATOM 239 O GLN A 16 -5.063 -0.396 10.010 1.00 54.24 O ATOM 240 CB GLN A 16 -3.613 1.735 12.059 1.00 10.52 C ATOM 241 CG GLN A 16 -3.389 2.056 13.529 1.00 75.54 C ATOM 242 CD GLN A 16 -4.481 1.499 14.420 1.00 45.10 C ATOM 243 OE1 GLN A 16 -5.458 0.923 13.940 1.00 44.43 O ATOM 244 NE2 GLN A 16 -4.321 1.667 15.727 1.00 3.21 N ATOM 0 H GLN A 16 -1.504 0.472 12.254 1.00 50.03 H new ATOM 0 HA GLN A 16 -4.209 -0.304 12.386 1.00 14.22 H new ATOM 0 HB2 GLN A 16 -2.876 2.272 11.462 1.00 10.52 H new ATOM 0 HB3 GLN A 16 -4.594 2.104 11.761 1.00 10.52 H new ATOM 0 HG2 GLN A 16 -2.427 1.651 13.843 1.00 75.54 H new ATOM 0 HG3 GLN A 16 -3.337 3.137 13.657 1.00 75.54 H new ATOM 0 HE21 GLN A 16 -3.496 2.150 16.082 1.00 3.21 H new ATOM 0 HE22 GLN A 16 -5.023 1.313 16.376 1.00 3.21 H new ATOM 251 N ALA A 17 -2.998 0.229 9.371 1.00 35.22 N ATOM 252 CA ALA A 17 -3.259 0.030 7.950 1.00 41.00 C ATOM 253 C ALA A 17 -3.539 -1.436 7.643 1.00 31.13 C ATOM 254 O ALA A 17 -4.423 -1.756 6.847 1.00 31.23 O ATOM 255 CB ALA A 17 -2.084 0.531 7.123 1.00 31.21 C ATOM 0 H ALA A 17 -2.056 0.556 9.585 1.00 35.22 H new ATOM 0 HA ALA A 17 -4.147 0.604 7.685 1.00 41.00 H new ATOM 0 HB1 ALA A 17 -2.292 0.376 6.064 1.00 31.21 H new ATOM 0 HB2 ALA A 17 -1.933 1.594 7.312 1.00 31.21 H new ATOM 0 HB3 ALA A 17 -1.184 -0.018 7.400 1.00 31.21 H new ATOM 261 N ILE A 18 -2.781 -2.324 8.277 1.00 4.13 N ATOM 262 CA ILE A 18 -2.948 -3.758 8.071 1.00 23.01 C ATOM 263 C ILE A 18 -4.304 -4.232 8.583 1.00 23.12 C ATOM 264 O ILE A 18 -4.974 -5.039 7.940 1.00 13.01 O ATOM 265 CB ILE A 18 -1.837 -4.561 8.772 1.00 70.24 C ATOM 266 CG1 ILE A 18 -0.464 -4.136 8.249 1.00 25.44 C ATOM 267 CG2 ILE A 18 -2.050 -6.053 8.565 1.00 70.24 C ATOM 268 CD1 ILE A 18 0.675 -4.500 9.176 1.00 12.04 C ATOM 0 H ILE A 18 -2.045 -2.076 8.938 1.00 4.13 H new ATOM 0 HA ILE A 18 -2.887 -3.932 6.997 1.00 23.01 H new ATOM 0 HB ILE A 18 -1.878 -4.353 9.841 1.00 70.24 H new ATOM 0 HG12 ILE A 18 -0.294 -4.601 7.278 1.00 25.44 H new ATOM 0 HG13 ILE A 18 -0.462 -3.058 8.091 1.00 25.44 H new ATOM 0 HG21 ILE A 18 -1.256 -6.607 9.067 1.00 70.24 H new ATOM 0 HG22 ILE A 18 -3.015 -6.344 8.981 1.00 70.24 H new ATOM 0 HG23 ILE A 18 -2.032 -6.279 7.499 1.00 70.24 H new ATOM 0 HD11 ILE A 18 1.618 -4.168 8.741 1.00 12.04 H new ATOM 0 HD12 ILE A 18 0.529 -4.013 10.140 1.00 12.04 H new ATOM 0 HD13 ILE A 18 0.700 -5.581 9.315 1.00 12.04 H new ATOM 279 N ALA A 19 -4.701 -3.724 9.745 1.00 54.40 N ATOM 280 CA ALA A 19 -5.980 -4.093 10.343 1.00 64.34 C ATOM 281 C ALA A 19 -7.145 -3.576 9.507 1.00 13.30 C ATOM 282 O ALA A 19 -8.176 -4.239 9.383 1.00 33.32 O ATOM 283 CB ALA A 19 -6.070 -3.560 11.765 1.00 73.51 C ATOM 0 H ALA A 19 -4.157 -3.056 10.291 1.00 54.40 H new ATOM 0 HA ALA A 19 -6.041 -5.181 10.370 1.00 64.34 H new ATOM 0 HB1 ALA A 19 -7.029 -3.842 12.199 1.00 73.51 H new ATOM 0 HB2 ALA A 19 -5.262 -3.982 12.363 1.00 73.51 H new ATOM 0 HB3 ALA A 19 -5.983 -2.474 11.753 1.00 73.51 H new ATOM 289 N LEU A 20 -6.977 -2.389 8.936 1.00 41.45 N ATOM 290 CA LEU A 20 -8.018 -1.782 8.111 1.00 24.03 C ATOM 291 C LEU A 20 -8.133 -2.495 6.768 1.00 33.23 C ATOM 292 O LEU A 20 -9.214 -2.567 6.182 1.00 70.32 O ATOM 293 CB LEU A 20 -7.719 -0.298 7.890 1.00 3.33 C ATOM 294 CG LEU A 20 -8.851 0.672 8.231 1.00 74.24 C ATOM 295 CD1 LEU A 20 -8.977 0.839 9.737 1.00 24.24 C ATOM 296 CD2 LEU A 20 -8.619 2.019 7.560 1.00 31.33 C ATOM 0 H LEU A 20 -6.131 -1.827 9.028 1.00 41.45 H new ATOM 0 HA LEU A 20 -8.968 -1.881 8.636 1.00 24.03 H new ATOM 0 HB2 LEU A 20 -6.846 -0.031 8.486 1.00 3.33 H new ATOM 0 HB3 LEU A 20 -7.447 -0.154 6.844 1.00 3.33 H new ATOM 0 HG LEU A 20 -9.785 0.256 7.854 1.00 74.24 H new ATOM 0 HD11 LEU A 20 -9.788 1.533 9.960 1.00 24.24 H new ATOM 0 HD12 LEU A 20 -9.191 -0.127 10.194 1.00 24.24 H new ATOM 0 HD13 LEU A 20 -8.043 1.231 10.139 1.00 24.24 H new ATOM 0 HD21 LEU A 20 -9.434 2.697 7.813 1.00 31.33 H new ATOM 0 HD22 LEU A 20 -7.675 2.440 7.907 1.00 31.33 H new ATOM 0 HD23 LEU A 20 -8.581 1.885 6.479 1.00 31.33 H new ATOM 307 N LEU A 21 -7.013 -3.024 6.287 1.00 41.12 N ATOM 308 CA LEU A 21 -6.988 -3.734 5.013 1.00 52.24 C ATOM 309 C LEU A 21 -7.588 -5.129 5.156 1.00 2.30 C ATOM 310 O LEU A 21 -8.317 -5.597 4.281 1.00 40.31 O ATOM 311 CB LEU A 21 -5.554 -3.834 4.490 1.00 15.44 C ATOM 312 CG LEU A 21 -5.006 -2.589 3.791 1.00 0.33 C ATOM 313 CD1 LEU A 21 -3.558 -2.802 3.380 1.00 23.14 C ATOM 314 CD2 LEU A 21 -5.860 -2.237 2.582 1.00 5.43 C ATOM 0 H LEU A 21 -6.111 -2.975 6.760 1.00 41.12 H new ATOM 0 HA LEU A 21 -7.589 -3.171 4.299 1.00 52.24 H new ATOM 0 HB2 LEU A 21 -4.899 -4.074 5.328 1.00 15.44 H new ATOM 0 HB3 LEU A 21 -5.500 -4.671 3.793 1.00 15.44 H new ATOM 0 HG LEU A 21 -5.044 -1.755 4.492 1.00 0.33 H new ATOM 0 HD11 LEU A 21 -3.185 -1.906 2.884 1.00 23.14 H new ATOM 0 HD12 LEU A 21 -2.955 -3.005 4.265 1.00 23.14 H new ATOM 0 HD13 LEU A 21 -3.495 -3.648 2.696 1.00 23.14 H new ATOM 0 HD21 LEU A 21 -5.455 -1.349 2.097 1.00 5.43 H new ATOM 0 HD22 LEU A 21 -5.855 -3.069 1.878 1.00 5.43 H new ATOM 0 HD23 LEU A 21 -6.883 -2.041 2.904 1.00 5.43 H new ATOM 325 N LYS A 22 -7.277 -5.789 6.267 1.00 34.12 N ATOM 326 CA LYS A 22 -7.788 -7.131 6.528 1.00 61.11 C ATOM 327 C LYS A 22 -9.264 -7.086 6.911 1.00 43.04 C ATOM 328 O LYS A 22 -9.939 -8.115 6.938 1.00 43.41 O ATOM 329 CB LYS A 22 -6.980 -7.798 7.643 1.00 4.30 C ATOM 330 CG LYS A 22 -7.314 -7.278 9.031 1.00 60.04 C ATOM 331 CD LYS A 22 -6.514 -7.996 10.104 1.00 74.33 C ATOM 332 CE LYS A 22 -6.815 -7.444 11.489 1.00 54.24 C ATOM 333 NZ LYS A 22 -7.201 -8.519 12.443 1.00 33.14 N ATOM 0 H LYS A 22 -6.674 -5.417 7.001 1.00 34.12 H new ATOM 0 HA LYS A 22 -7.686 -7.716 5.614 1.00 61.11 H new ATOM 0 HB2 LYS A 22 -7.157 -8.873 7.615 1.00 4.30 H new ATOM 0 HB3 LYS A 22 -5.918 -7.644 7.452 1.00 4.30 H new ATOM 0 HG2 LYS A 22 -7.110 -6.208 9.078 1.00 60.04 H new ATOM 0 HG3 LYS A 22 -8.379 -7.408 9.222 1.00 60.04 H new ATOM 0 HD2 LYS A 22 -6.743 -9.061 10.078 1.00 74.33 H new ATOM 0 HD3 LYS A 22 -5.449 -7.894 9.894 1.00 74.33 H new ATOM 0 HE2 LYS A 22 -5.939 -6.919 11.869 1.00 54.24 H new ATOM 0 HE3 LYS A 22 -7.620 -6.712 11.421 1.00 54.24 H new ATOM 0 HZ1 LYS A 22 -7.398 -8.102 13.375 1.00 33.14 H new ATOM 0 HZ2 LYS A 22 -8.052 -9.004 12.094 1.00 33.14 H new ATOM 0 HZ3 LYS A 22 -6.423 -9.204 12.528 1.00 33.14 H new ATOM 343 N ASP A 23 -9.757 -5.888 7.205 1.00 34.04 N ATOM 344 CA ASP A 23 -11.154 -5.710 7.584 1.00 11.10 C ATOM 345 C ASP A 23 -11.928 -4.987 6.486 1.00 41.10 C ATOM 346 O ASP A 23 -13.103 -4.660 6.651 1.00 73.41 O ATOM 347 CB ASP A 23 -11.254 -4.927 8.894 1.00 63.12 C ATOM 348 CG ASP A 23 -12.446 -5.347 9.731 1.00 24.01 C ATOM 349 OD1 ASP A 23 -12.443 -6.490 10.237 1.00 35.50 O ATOM 350 OD2 ASP A 23 -13.380 -4.534 9.883 1.00 11.43 O ATOM 0 H ASP A 23 -9.211 -5.027 7.188 1.00 34.04 H new ATOM 0 HA ASP A 23 -11.594 -6.697 7.725 1.00 11.10 H new ATOM 0 HB2 ASP A 23 -10.340 -5.071 9.471 1.00 63.12 H new ATOM 0 HB3 ASP A 23 -11.327 -3.862 8.673 1.00 63.12 H new ATOM 354 N LYS A 24 -11.259 -4.739 5.364 1.00 41.41 N ATOM 355 CA LYS A 24 -11.882 -4.055 4.238 1.00 51.03 C ATOM 356 C LYS A 24 -11.885 -4.941 2.997 1.00 20.53 C ATOM 357 O LYS A 24 -11.251 -5.997 2.975 1.00 11.31 O ATOM 358 CB LYS A 24 -11.148 -2.745 3.940 1.00 42.31 C ATOM 359 CG LYS A 24 -11.583 -1.589 4.825 1.00 70.12 C ATOM 360 CD LYS A 24 -12.981 -1.111 4.471 1.00 34.33 C ATOM 361 CE LYS A 24 -13.649 -0.421 5.649 1.00 43.33 C ATOM 362 NZ LYS A 24 -14.030 0.982 5.326 1.00 3.43 N ATOM 0 H LYS A 24 -10.285 -5.002 5.211 1.00 41.41 H new ATOM 0 HA LYS A 24 -12.915 -3.833 4.507 1.00 51.03 H new ATOM 0 HB2 LYS A 24 -10.076 -2.903 4.063 1.00 42.31 H new ATOM 0 HB3 LYS A 24 -11.313 -2.475 2.897 1.00 42.31 H new ATOM 0 HG2 LYS A 24 -11.557 -1.900 5.869 1.00 70.12 H new ATOM 0 HG3 LYS A 24 -10.878 -0.764 4.720 1.00 70.12 H new ATOM 0 HD2 LYS A 24 -12.929 -0.423 3.627 1.00 34.33 H new ATOM 0 HD3 LYS A 24 -13.587 -1.959 4.153 1.00 34.33 H new ATOM 0 HE2 LYS A 24 -14.537 -0.981 5.942 1.00 43.33 H new ATOM 0 HE3 LYS A 24 -12.973 -0.426 6.504 1.00 43.33 H new ATOM 0 HZ1 LYS A 24 -14.482 1.418 6.155 1.00 3.43 H new ATOM 0 HZ2 LYS A 24 -13.179 1.523 5.071 1.00 3.43 H new ATOM 0 HZ3 LYS A 24 -14.695 0.986 4.526 1.00 3.43 H new ATOM 372 N ASP A 25 -12.599 -4.506 1.965 1.00 53.51 N ATOM 373 CA ASP A 25 -12.682 -5.259 0.719 1.00 55.42 C ATOM 374 C ASP A 25 -11.303 -5.416 0.086 1.00 4.34 C ATOM 375 O ASP A 25 -10.389 -4.627 0.327 1.00 13.10 O ATOM 376 CB ASP A 25 -13.630 -4.564 -0.260 1.00 12.44 C ATOM 377 CG ASP A 25 -15.088 -4.824 0.063 1.00 51.23 C ATOM 378 OD1 ASP A 25 -15.569 -4.307 1.093 1.00 12.43 O ATOM 379 OD2 ASP A 25 -15.749 -5.545 -0.714 1.00 12.12 O ATOM 0 H ASP A 25 -13.129 -3.635 1.967 1.00 53.51 H new ATOM 0 HA ASP A 25 -13.072 -6.251 0.948 1.00 55.42 H new ATOM 0 HB2 ASP A 25 -13.443 -3.490 -0.242 1.00 12.44 H new ATOM 0 HB3 ASP A 25 -13.418 -4.908 -1.272 1.00 12.44 H new ATOM 383 N PRO A 26 -11.147 -6.460 -0.741 1.00 14.23 N ATOM 384 CA PRO A 26 -9.882 -6.745 -1.425 1.00 20.25 C ATOM 385 C PRO A 26 -9.561 -5.716 -2.504 1.00 25.03 C ATOM 386 O PRO A 26 -10.461 -5.152 -3.123 1.00 71.22 O ATOM 387 CB PRO A 26 -10.120 -8.122 -2.052 1.00 41.43 C ATOM 388 CG PRO A 26 -11.598 -8.209 -2.222 1.00 21.11 C ATOM 389 CD PRO A 26 -12.193 -7.441 -1.074 1.00 0.35 C ATOM 0 HA PRO A 26 -9.033 -6.714 -0.742 1.00 20.25 H new ATOM 0 HB2 PRO A 26 -9.605 -8.216 -3.008 1.00 41.43 H new ATOM 0 HB3 PRO A 26 -9.748 -8.920 -1.409 1.00 41.43 H new ATOM 0 HG2 PRO A 26 -11.907 -7.784 -3.177 1.00 21.11 H new ATOM 0 HG3 PRO A 26 -11.932 -9.247 -2.212 1.00 21.11 H new ATOM 0 HD2 PRO A 26 -13.126 -6.953 -1.357 1.00 0.35 H new ATOM 0 HD3 PRO A 26 -12.417 -8.092 -0.229 1.00 0.35 H new ATOM 394 N GLY A 27 -8.271 -5.478 -2.721 1.00 74.04 N ATOM 395 CA GLY A 27 -7.854 -4.517 -3.726 1.00 73.12 C ATOM 396 C GLY A 27 -7.664 -3.126 -3.155 1.00 30.54 C ATOM 397 O GLY A 27 -7.018 -2.279 -3.769 1.00 60.42 O ATOM 0 H GLY A 27 -7.508 -5.933 -2.220 1.00 74.04 H new ATOM 0 HA2 GLY A 27 -6.920 -4.851 -4.178 1.00 73.12 H new ATOM 0 HA3 GLY A 27 -8.599 -4.481 -4.521 1.00 73.12 H new ATOM 401 N ALA A 28 -8.228 -2.891 -1.975 1.00 40.34 N ATOM 402 CA ALA A 28 -8.116 -1.593 -1.320 1.00 71.43 C ATOM 403 C ALA A 28 -6.696 -1.351 -0.820 1.00 54.21 C ATOM 404 O ALA A 28 -5.982 -2.291 -0.470 1.00 63.03 O ATOM 405 CB ALA A 28 -9.107 -1.496 -0.169 1.00 64.04 C ATOM 0 H ALA A 28 -8.767 -3.582 -1.453 1.00 40.34 H new ATOM 0 HA ALA A 28 -8.351 -0.822 -2.054 1.00 71.43 H new ATOM 0 HB1 ALA A 28 -9.013 -0.522 0.311 1.00 64.04 H new ATOM 0 HB2 ALA A 28 -10.121 -1.616 -0.551 1.00 64.04 H new ATOM 0 HB3 ALA A 28 -8.898 -2.281 0.558 1.00 64.04 H new ATOM 411 N PHE A 29 -6.292 -0.086 -0.790 1.00 50.32 N ATOM 412 CA PHE A 29 -4.956 0.280 -0.334 1.00 75.41 C ATOM 413 C PHE A 29 -5.008 1.498 0.583 1.00 31.11 C ATOM 414 O PHE A 29 -6.032 2.176 0.675 1.00 10.24 O ATOM 415 CB PHE A 29 -4.046 0.566 -1.531 1.00 12.22 C ATOM 416 CG PHE A 29 -4.346 1.870 -2.213 1.00 52.23 C ATOM 417 CD1 PHE A 29 -5.562 2.072 -2.847 1.00 32.44 C ATOM 418 CD2 PHE A 29 -3.414 2.895 -2.220 1.00 2.14 C ATOM 419 CE1 PHE A 29 -5.840 3.270 -3.477 1.00 14.32 C ATOM 420 CE2 PHE A 29 -3.686 4.096 -2.848 1.00 11.45 C ATOM 421 CZ PHE A 29 -4.902 4.284 -3.476 1.00 32.44 C ATOM 0 H PHE A 29 -6.871 0.704 -1.076 1.00 50.32 H new ATOM 0 HA PHE A 29 -4.549 -0.559 0.230 1.00 75.41 H new ATOM 0 HB2 PHE A 29 -3.009 0.570 -1.196 1.00 12.22 H new ATOM 0 HB3 PHE A 29 -4.144 -0.244 -2.254 1.00 12.22 H new ATOM 0 HD1 PHE A 29 -6.301 1.284 -2.849 1.00 32.44 H new ATOM 0 HD2 PHE A 29 -2.463 2.754 -1.728 1.00 2.14 H new ATOM 0 HE1 PHE A 29 -6.790 3.413 -3.970 1.00 14.32 H new ATOM 0 HE2 PHE A 29 -2.949 4.886 -2.848 1.00 11.45 H new ATOM 0 HZ PHE A 29 -5.119 5.222 -3.965 1.00 32.44 H new ATOM 430 N LEU A 30 -3.897 1.770 1.258 1.00 3.42 N ATOM 431 CA LEU A 30 -3.815 2.907 2.170 1.00 71.45 C ATOM 432 C LEU A 30 -2.399 3.470 2.210 1.00 64.24 C ATOM 433 O LEU A 30 -1.422 2.730 2.087 1.00 64.32 O ATOM 434 CB LEU A 30 -4.252 2.492 3.576 1.00 62.41 C ATOM 435 CG LEU A 30 -4.088 3.549 4.669 1.00 14.10 C ATOM 436 CD1 LEU A 30 -5.362 3.667 5.491 1.00 13.32 C ATOM 437 CD2 LEU A 30 -2.904 3.213 5.562 1.00 23.42 C ATOM 0 H LEU A 30 -3.041 1.220 1.192 1.00 3.42 H new ATOM 0 HA LEU A 30 -4.485 3.684 1.804 1.00 71.45 H new ATOM 0 HB2 LEU A 30 -5.301 2.198 3.537 1.00 62.41 H new ATOM 0 HB3 LEU A 30 -3.684 1.608 3.865 1.00 62.41 H new ATOM 0 HG LEU A 30 -3.896 4.511 4.193 1.00 14.10 H new ATOM 0 HD11 LEU A 30 -5.227 4.424 6.264 1.00 13.32 H new ATOM 0 HD12 LEU A 30 -6.189 3.955 4.842 1.00 13.32 H new ATOM 0 HD13 LEU A 30 -5.584 2.707 5.957 1.00 13.32 H new ATOM 0 HD21 LEU A 30 -2.802 3.976 6.334 1.00 23.42 H new ATOM 0 HD22 LEU A 30 -3.065 2.242 6.030 1.00 23.42 H new ATOM 0 HD23 LEU A 30 -1.994 3.180 4.963 1.00 23.42 H new ATOM 448 N ILE A 31 -2.295 4.784 2.386 1.00 25.33 N ATOM 449 CA ILE A 31 -0.997 5.445 2.447 1.00 31.04 C ATOM 450 C ILE A 31 -0.737 6.019 3.836 1.00 41.14 C ATOM 451 O ILE A 31 -1.641 6.561 4.474 1.00 62.42 O ATOM 452 CB ILE A 31 -0.893 6.577 1.407 1.00 42.41 C ATOM 453 CG1 ILE A 31 -1.118 6.026 -0.002 1.00 65.31 C ATOM 454 CG2 ILE A 31 0.462 7.262 1.505 1.00 43.22 C ATOM 455 CD1 ILE A 31 -1.381 7.100 -1.035 1.00 23.10 C ATOM 0 H ILE A 31 -3.093 5.411 2.489 1.00 25.33 H new ATOM 0 HA ILE A 31 -0.246 4.688 2.224 1.00 31.04 H new ATOM 0 HB ILE A 31 -1.667 7.315 1.615 1.00 42.41 H new ATOM 0 HG12 ILE A 31 -0.243 5.450 -0.303 1.00 65.31 H new ATOM 0 HG13 ILE A 31 -1.962 5.336 0.017 1.00 65.31 H new ATOM 0 HG21 ILE A 31 0.521 8.059 0.764 1.00 43.22 H new ATOM 0 HG22 ILE A 31 0.585 7.684 2.503 1.00 43.22 H new ATOM 0 HG23 ILE A 31 1.252 6.534 1.318 1.00 43.22 H new ATOM 0 HD11 ILE A 31 -1.531 6.638 -2.011 1.00 23.10 H new ATOM 0 HD12 ILE A 31 -2.274 7.661 -0.758 1.00 23.10 H new ATOM 0 HD13 ILE A 31 -0.528 7.777 -1.082 1.00 23.10 H new ATOM 466 N ARG A 32 0.504 5.899 4.297 1.00 53.15 N ATOM 467 CA ARG A 32 0.882 6.407 5.610 1.00 45.02 C ATOM 468 C ARG A 32 2.274 7.033 5.569 1.00 3.14 C ATOM 469 O ARG A 32 3.037 6.815 4.628 1.00 32.15 O ATOM 470 CB ARG A 32 0.847 5.282 6.645 1.00 11.50 C ATOM 471 CG ARG A 32 2.012 4.312 6.531 1.00 15.34 C ATOM 472 CD ARG A 32 1.534 2.869 6.515 1.00 22.14 C ATOM 473 NE ARG A 32 2.638 1.925 6.669 1.00 20.24 N ATOM 474 CZ ARG A 32 2.514 0.614 6.495 1.00 74.44 C ATOM 475 NH1 ARG A 32 1.340 0.094 6.162 1.00 31.43 N ATOM 476 NH2 ARG A 32 3.566 -0.180 6.651 1.00 31.04 N ATOM 0 H ARG A 32 1.264 5.455 3.781 1.00 53.15 H new ATOM 0 HA ARG A 32 0.164 7.176 5.896 1.00 45.02 H new ATOM 0 HB2 ARG A 32 0.845 5.719 7.644 1.00 11.50 H new ATOM 0 HB3 ARG A 32 -0.086 4.730 6.537 1.00 11.50 H new ATOM 0 HG2 ARG A 32 2.573 4.521 5.620 1.00 15.34 H new ATOM 0 HG3 ARG A 32 2.695 4.461 7.367 1.00 15.34 H new ATOM 0 HD2 ARG A 32 0.813 2.717 7.318 1.00 22.14 H new ATOM 0 HD3 ARG A 32 1.015 2.670 5.578 1.00 22.14 H new ATOM 0 HE ARG A 32 3.555 2.293 6.924 1.00 20.24 H new ATOM 0 HH11 ARG A 32 0.530 0.701 6.039 1.00 31.43 H new ATOM 0 HH12 ARG A 32 1.248 -0.913 6.029 1.00 31.43 H new ATOM 0 HH21 ARG A 32 4.471 0.216 6.905 1.00 31.04 H new ATOM 0 HH22 ARG A 32 3.470 -1.187 6.517 1.00 31.04 H new ATOM 487 N ASP A 33 2.597 7.811 6.597 1.00 52.01 N ATOM 488 CA ASP A 33 3.896 8.467 6.680 1.00 45.35 C ATOM 489 C ASP A 33 4.989 7.466 7.043 1.00 42.51 C ATOM 490 O ASP A 33 4.941 6.837 8.100 1.00 51.03 O ATOM 491 CB ASP A 33 3.857 9.596 7.711 1.00 4.34 C ATOM 492 CG ASP A 33 5.120 10.433 7.703 1.00 62.32 C ATOM 493 OD1 ASP A 33 5.826 10.431 6.673 1.00 24.23 O ATOM 494 OD2 ASP A 33 5.403 11.092 8.726 1.00 15.15 O ATOM 0 H ASP A 33 1.977 8.002 7.384 1.00 52.01 H new ATOM 0 HA ASP A 33 4.125 8.888 5.701 1.00 45.35 H new ATOM 0 HB2 ASP A 33 2.999 10.237 7.510 1.00 4.34 H new ATOM 0 HB3 ASP A 33 3.713 9.172 8.705 1.00 4.34 H new ATOM 498 N SER A 34 5.972 7.325 6.160 1.00 4.12 N ATOM 499 CA SER A 34 7.074 6.397 6.386 1.00 1.44 C ATOM 500 C SER A 34 8.250 7.103 7.055 1.00 32.40 C ATOM 501 O SER A 34 9.161 7.587 6.383 1.00 25.13 O ATOM 502 CB SER A 34 7.524 5.774 5.063 1.00 52.13 C ATOM 503 OG SER A 34 8.069 4.483 5.267 1.00 33.21 O ATOM 0 H SER A 34 6.028 7.841 5.282 1.00 4.12 H new ATOM 0 HA SER A 34 6.721 5.607 7.049 1.00 1.44 H new ATOM 0 HB2 SER A 34 6.677 5.711 4.380 1.00 52.13 H new ATOM 0 HB3 SER A 34 8.267 6.415 4.590 1.00 52.13 H new ATOM 0 HG SER A 34 8.347 4.106 4.406 1.00 33.21 H new ATOM 508 N HIS A 35 8.223 7.156 8.383 1.00 74.53 N ATOM 509 CA HIS A 35 9.286 7.802 9.144 1.00 11.24 C ATOM 510 C HIS A 35 10.569 6.976 9.092 1.00 3.34 C ATOM 511 O HIS A 35 11.637 7.448 9.482 1.00 75.31 O ATOM 512 CB HIS A 35 8.853 8.002 10.596 1.00 53.30 C ATOM 513 CG HIS A 35 8.726 9.442 10.990 1.00 50.51 C ATOM 514 ND1 HIS A 35 7.613 10.204 10.706 1.00 41.33 N ATOM 515 CD2 HIS A 35 9.581 10.257 11.651 1.00 51.34 C ATOM 516 CE1 HIS A 35 7.788 11.428 11.173 1.00 30.13 C ATOM 517 NE2 HIS A 35 8.975 11.486 11.752 1.00 53.23 N ATOM 0 H HIS A 35 7.477 6.759 8.954 1.00 74.53 H new ATOM 0 HA HIS A 35 9.482 8.775 8.694 1.00 11.24 H new ATOM 0 HB2 HIS A 35 7.896 7.505 10.753 1.00 53.30 H new ATOM 0 HB3 HIS A 35 9.575 7.517 11.252 1.00 53.30 H new ATOM 0 HD1 HIS A 35 6.783 9.875 10.212 1.00 41.33 H new ATOM 0 HD2 HIS A 35 10.557 9.991 12.029 1.00 51.34 H new ATOM 0 HE1 HIS A 35 7.082 12.242 11.095 1.00 30.13 H new ATOM 524 N SER A 36 10.455 5.742 8.612 1.00 54.21 N ATOM 525 CA SER A 36 11.603 4.850 8.515 1.00 72.11 C ATOM 526 C SER A 36 12.669 5.435 7.592 1.00 3.31 C ATOM 527 O SER A 36 13.706 5.917 8.050 1.00 31.31 O ATOM 528 CB SER A 36 11.167 3.477 8.001 1.00 23.33 C ATOM 529 OG SER A 36 10.470 2.755 9.002 1.00 42.25 O ATOM 0 H SER A 36 9.578 5.337 8.284 1.00 54.21 H new ATOM 0 HA SER A 36 12.030 4.739 9.512 1.00 72.11 H new ATOM 0 HB2 SER A 36 10.529 3.599 7.125 1.00 23.33 H new ATOM 0 HB3 SER A 36 12.042 2.910 7.682 1.00 23.33 H new ATOM 0 HG SER A 36 10.201 1.882 8.648 1.00 42.25 H new ATOM 534 N PHE A 37 12.405 5.390 6.290 1.00 43.11 N ATOM 535 CA PHE A 37 13.340 5.915 5.303 1.00 23.42 C ATOM 536 C PHE A 37 13.034 7.376 4.985 1.00 24.12 C ATOM 537 O PHE A 37 11.872 7.776 4.920 1.00 61.44 O ATOM 538 CB PHE A 37 13.284 5.080 4.022 1.00 32.13 C ATOM 539 CG PHE A 37 14.032 3.781 4.118 1.00 4.32 C ATOM 540 CD1 PHE A 37 13.501 2.711 4.821 1.00 74.15 C ATOM 541 CD2 PHE A 37 15.267 3.630 3.509 1.00 62.21 C ATOM 542 CE1 PHE A 37 14.187 1.515 4.911 1.00 14.54 C ATOM 543 CE2 PHE A 37 15.957 2.436 3.596 1.00 64.01 C ATOM 544 CZ PHE A 37 15.417 1.378 4.300 1.00 22.33 C ATOM 0 H PHE A 37 11.552 4.995 5.895 1.00 43.11 H new ATOM 0 HA PHE A 37 14.344 5.856 5.724 1.00 23.42 H new ATOM 0 HB2 PHE A 37 12.242 4.873 3.779 1.00 32.13 H new ATOM 0 HB3 PHE A 37 13.693 5.665 3.198 1.00 32.13 H new ATOM 0 HD1 PHE A 37 12.540 2.813 5.304 1.00 74.15 H new ATOM 0 HD2 PHE A 37 15.696 4.455 2.960 1.00 62.21 H new ATOM 0 HE1 PHE A 37 13.761 0.688 5.459 1.00 14.54 H new ATOM 0 HE2 PHE A 37 16.918 2.330 3.114 1.00 64.01 H new ATOM 0 HZ PHE A 37 15.956 0.445 4.372 1.00 22.33 H new ATOM 553 N GLN A 38 14.085 8.165 4.789 1.00 4.01 N ATOM 554 CA GLN A 38 13.929 9.581 4.480 1.00 71.32 C ATOM 555 C GLN A 38 13.283 9.771 3.112 1.00 63.33 C ATOM 556 O GLN A 38 13.729 9.198 2.118 1.00 12.12 O ATOM 557 CB GLN A 38 15.286 10.287 4.518 1.00 1.15 C ATOM 558 CG GLN A 38 16.297 9.714 3.539 1.00 1.03 C ATOM 559 CD GLN A 38 17.694 9.631 4.124 1.00 71.30 C ATOM 560 OE1 GLN A 38 18.085 10.460 4.946 1.00 64.43 O ATOM 561 NE2 GLN A 38 18.453 8.626 3.703 1.00 41.14 N ATOM 0 H GLN A 38 15.053 7.848 4.839 1.00 4.01 H new ATOM 0 HA GLN A 38 13.277 10.021 5.235 1.00 71.32 H new ATOM 0 HB2 GLN A 38 15.142 11.345 4.301 1.00 1.15 H new ATOM 0 HB3 GLN A 38 15.692 10.221 5.527 1.00 1.15 H new ATOM 0 HG2 GLN A 38 15.976 8.719 3.232 1.00 1.03 H new ATOM 0 HG3 GLN A 38 16.319 10.333 2.642 1.00 1.03 H new ATOM 0 HE21 GLN A 38 18.088 7.962 3.020 1.00 41.14 H new ATOM 0 HE22 GLN A 38 19.401 8.518 4.062 1.00 41.14 H new ATOM 568 N GLY A 39 12.229 10.581 3.067 1.00 21.10 N ATOM 569 CA GLY A 39 11.538 10.832 1.815 1.00 3.03 C ATOM 570 C GLY A 39 10.867 9.590 1.264 1.00 2.43 C ATOM 571 O GLY A 39 10.904 9.338 0.061 1.00 72.43 O ATOM 0 H GLY A 39 11.841 11.068 3.875 1.00 21.10 H new ATOM 0 HA2 GLY A 39 10.789 11.609 1.967 1.00 3.03 H new ATOM 0 HA3 GLY A 39 12.249 11.213 1.081 1.00 3.03 H new ATOM 575 N ALA A 40 10.253 8.811 2.148 1.00 13.23 N ATOM 576 CA ALA A 40 9.569 7.588 1.744 1.00 62.13 C ATOM 577 C ALA A 40 8.145 7.549 2.288 1.00 73.14 C ATOM 578 O ALA A 40 7.818 8.246 3.248 1.00 4.45 O ATOM 579 CB ALA A 40 10.349 6.368 2.213 1.00 73.43 C ATOM 0 H ALA A 40 10.215 9.005 3.149 1.00 13.23 H new ATOM 0 HA ALA A 40 9.514 7.575 0.655 1.00 62.13 H new ATOM 0 HB1 ALA A 40 9.827 5.462 1.905 1.00 73.43 H new ATOM 0 HB2 ALA A 40 11.345 6.381 1.771 1.00 73.43 H new ATOM 0 HB3 ALA A 40 10.434 6.386 3.300 1.00 73.43 H new ATOM 585 N TYR A 41 7.302 6.731 1.668 1.00 31.31 N ATOM 586 CA TYR A 41 5.912 6.604 2.088 1.00 33.12 C ATOM 587 C TYR A 41 5.512 5.136 2.212 1.00 5.13 C ATOM 588 O TYR A 41 5.922 4.299 1.410 1.00 71.34 O ATOM 589 CB TYR A 41 4.990 7.312 1.094 1.00 63.14 C ATOM 590 CG TYR A 41 4.685 8.745 1.468 1.00 0.02 C ATOM 591 CD1 TYR A 41 5.565 9.770 1.144 1.00 42.22 C ATOM 592 CD2 TYR A 41 3.517 9.073 2.145 1.00 3.31 C ATOM 593 CE1 TYR A 41 5.290 11.082 1.484 1.00 12.54 C ATOM 594 CE2 TYR A 41 3.234 10.381 2.488 1.00 54.10 C ATOM 595 CZ TYR A 41 4.123 11.382 2.155 1.00 21.43 C ATOM 596 OH TYR A 41 3.845 12.685 2.496 1.00 51.23 O ATOM 0 H TYR A 41 7.557 6.146 0.873 1.00 31.31 H new ATOM 0 HA TYR A 41 5.811 7.074 3.066 1.00 33.12 H new ATOM 0 HB2 TYR A 41 5.451 7.293 0.106 1.00 63.14 H new ATOM 0 HB3 TYR A 41 4.055 6.757 1.020 1.00 63.14 H new ATOM 0 HD1 TYR A 41 6.479 9.538 0.618 1.00 42.22 H new ATOM 0 HD2 TYR A 41 2.818 8.292 2.408 1.00 3.31 H new ATOM 0 HE1 TYR A 41 5.985 11.867 1.226 1.00 12.54 H new ATOM 0 HE2 TYR A 41 2.321 10.619 3.014 1.00 54.10 H new ATOM 0 HH TYR A 41 2.882 12.785 2.648 1.00 51.23 H new ATOM 605 N GLY A 42 4.707 4.832 3.226 1.00 60.32 N ATOM 606 CA GLY A 42 4.265 3.467 3.438 1.00 33.02 C ATOM 607 C GLY A 42 2.997 3.143 2.672 1.00 51.31 C ATOM 608 O GLY A 42 1.952 3.753 2.900 1.00 40.25 O ATOM 0 H GLY A 42 4.354 5.507 3.904 1.00 60.32 H new ATOM 0 HA2 GLY A 42 5.055 2.781 3.133 1.00 33.02 H new ATOM 0 HA3 GLY A 42 4.095 3.305 4.502 1.00 33.02 H new ATOM 612 N LEU A 43 3.088 2.181 1.760 1.00 43.00 N ATOM 613 CA LEU A 43 1.940 1.778 0.956 1.00 61.31 C ATOM 614 C LEU A 43 1.467 0.381 1.344 1.00 55.10 C ATOM 615 O LEU A 43 2.252 -0.566 1.368 1.00 14.14 O ATOM 616 CB LEU A 43 2.296 1.813 -0.531 1.00 21.31 C ATOM 617 CG LEU A 43 1.203 1.351 -1.495 1.00 60.14 C ATOM 618 CD1 LEU A 43 0.121 2.412 -1.623 1.00 14.31 C ATOM 619 CD2 LEU A 43 1.796 1.024 -2.858 1.00 52.53 C ATOM 0 H LEU A 43 3.945 1.666 1.559 1.00 43.00 H new ATOM 0 HA LEU A 43 1.130 2.482 1.146 1.00 61.31 H new ATOM 0 HB2 LEU A 43 2.576 2.833 -0.793 1.00 21.31 H new ATOM 0 HB3 LEU A 43 3.177 1.191 -0.688 1.00 21.31 H new ATOM 0 HG LEU A 43 0.750 0.445 -1.092 1.00 60.14 H new ATOM 0 HD11 LEU A 43 -0.648 2.066 -2.313 1.00 14.31 H new ATOM 0 HD12 LEU A 43 -0.325 2.597 -0.646 1.00 14.31 H new ATOM 0 HD13 LEU A 43 0.560 3.335 -2.002 1.00 14.31 H new ATOM 0 HD21 LEU A 43 1.003 0.697 -3.531 1.00 52.53 H new ATOM 0 HD22 LEU A 43 2.277 1.912 -3.268 1.00 52.53 H new ATOM 0 HD23 LEU A 43 2.533 0.228 -2.753 1.00 52.53 H new ATOM 630 N ALA A 44 0.178 0.261 1.646 1.00 1.51 N ATOM 631 CA ALA A 44 -0.401 -1.021 2.029 1.00 44.02 C ATOM 632 C ALA A 44 -1.499 -1.439 1.057 1.00 23.45 C ATOM 633 O ALA A 44 -2.301 -0.615 0.618 1.00 51.11 O ATOM 634 CB ALA A 44 -0.948 -0.950 3.447 1.00 5.40 C ATOM 0 H ALA A 44 -0.485 1.036 1.633 1.00 1.51 H new ATOM 0 HA ALA A 44 0.387 -1.773 1.992 1.00 44.02 H new ATOM 0 HB1 ALA A 44 -1.377 -1.914 3.720 1.00 5.40 H new ATOM 0 HB2 ALA A 44 -0.140 -0.704 4.137 1.00 5.40 H new ATOM 0 HB3 ALA A 44 -1.719 -0.181 3.502 1.00 5.40 H new ATOM 640 N LEU A 45 -1.528 -2.725 0.724 1.00 3.11 N ATOM 641 CA LEU A 45 -2.527 -3.254 -0.197 1.00 73.21 C ATOM 642 C LEU A 45 -3.111 -4.563 0.326 1.00 53.24 C ATOM 643 O LEU A 45 -2.400 -5.389 0.897 1.00 61.51 O ATOM 644 CB LEU A 45 -1.910 -3.474 -1.580 1.00 10.05 C ATOM 645 CG LEU A 45 -2.737 -4.306 -2.560 1.00 21.01 C ATOM 646 CD1 LEU A 45 -4.056 -3.613 -2.867 1.00 34.01 C ATOM 647 CD2 LEU A 45 -1.955 -4.557 -3.840 1.00 63.40 C ATOM 0 H LEU A 45 -0.871 -3.420 1.078 1.00 3.11 H new ATOM 0 HA LEU A 45 -3.333 -2.524 -0.278 1.00 73.21 H new ATOM 0 HB2 LEU A 45 -1.722 -2.500 -2.031 1.00 10.05 H new ATOM 0 HB3 LEU A 45 -0.942 -3.958 -1.451 1.00 10.05 H new ATOM 0 HG LEU A 45 -2.954 -5.268 -2.096 1.00 21.01 H new ATOM 0 HD11 LEU A 45 -4.632 -4.220 -3.566 1.00 34.01 H new ATOM 0 HD12 LEU A 45 -4.623 -3.485 -1.945 1.00 34.01 H new ATOM 0 HD13 LEU A 45 -3.860 -2.637 -3.310 1.00 34.01 H new ATOM 0 HD21 LEU A 45 -2.560 -5.151 -4.525 1.00 63.40 H new ATOM 0 HD22 LEU A 45 -1.707 -3.604 -4.307 1.00 63.40 H new ATOM 0 HD23 LEU A 45 -1.037 -5.096 -3.606 1.00 63.40 H new ATOM 658 N LYS A 46 -4.412 -4.746 0.125 1.00 54.00 N ATOM 659 CA LYS A 46 -5.093 -5.955 0.572 1.00 52.34 C ATOM 660 C LYS A 46 -5.262 -6.942 -0.579 1.00 70.10 C ATOM 661 O LYS A 46 -5.750 -6.584 -1.651 1.00 5.14 O ATOM 662 CB LYS A 46 -6.461 -5.606 1.163 1.00 63.10 C ATOM 663 CG LYS A 46 -7.225 -6.811 1.682 1.00 2.15 C ATOM 664 CD LYS A 46 -6.484 -7.493 2.821 1.00 51.22 C ATOM 665 CE LYS A 46 -7.154 -8.798 3.221 1.00 75.44 C ATOM 666 NZ LYS A 46 -8.608 -8.616 3.487 1.00 4.12 N ATOM 0 H LYS A 46 -5.016 -4.072 -0.345 1.00 54.00 H new ATOM 0 HA LYS A 46 -4.480 -6.423 1.342 1.00 52.34 H new ATOM 0 HB2 LYS A 46 -6.325 -4.895 1.977 1.00 63.10 H new ATOM 0 HB3 LYS A 46 -7.060 -5.107 0.401 1.00 63.10 H new ATOM 0 HG2 LYS A 46 -8.211 -6.498 2.024 1.00 2.15 H new ATOM 0 HG3 LYS A 46 -7.380 -7.522 0.870 1.00 2.15 H new ATOM 0 HD2 LYS A 46 -5.455 -7.689 2.521 1.00 51.22 H new ATOM 0 HD3 LYS A 46 -6.444 -6.825 3.681 1.00 51.22 H new ATOM 0 HE2 LYS A 46 -7.019 -9.533 2.428 1.00 75.44 H new ATOM 0 HE3 LYS A 46 -6.669 -9.197 4.112 1.00 75.44 H new ATOM 0 HZ1 LYS A 46 -8.909 -9.272 4.236 1.00 4.12 H new ATOM 0 HZ2 LYS A 46 -8.785 -7.638 3.791 1.00 4.12 H new ATOM 0 HZ3 LYS A 46 -9.147 -8.812 2.619 1.00 4.12 H new ATOM 676 N VAL A 47 -4.856 -8.187 -0.349 1.00 63.21 N ATOM 677 CA VAL A 47 -4.964 -9.226 -1.366 1.00 54.45 C ATOM 678 C VAL A 47 -5.705 -10.445 -0.828 1.00 74.43 C ATOM 679 O VAL A 47 -5.594 -10.782 0.350 1.00 62.40 O ATOM 680 CB VAL A 47 -3.576 -9.664 -1.872 1.00 52.23 C ATOM 681 CG1 VAL A 47 -2.916 -8.542 -2.659 1.00 54.32 C ATOM 682 CG2 VAL A 47 -2.698 -10.098 -0.708 1.00 55.40 C ATOM 0 H VAL A 47 -4.449 -8.500 0.532 1.00 63.21 H new ATOM 0 HA VAL A 47 -5.526 -8.799 -2.197 1.00 54.45 H new ATOM 0 HB VAL A 47 -3.704 -10.517 -2.539 1.00 52.23 H new ATOM 0 HG11 VAL A 47 -1.937 -8.870 -3.008 1.00 54.32 H new ATOM 0 HG12 VAL A 47 -3.539 -8.283 -3.515 1.00 54.32 H new ATOM 0 HG13 VAL A 47 -2.799 -7.668 -2.018 1.00 54.32 H new ATOM 0 HG21 VAL A 47 -1.721 -10.404 -1.083 1.00 55.40 H new ATOM 0 HG22 VAL A 47 -2.576 -9.266 -0.015 1.00 55.40 H new ATOM 0 HG23 VAL A 47 -3.167 -10.935 -0.191 1.00 55.40 H new ATOM 692 N ALA A 48 -6.461 -11.104 -1.701 1.00 24.52 N ATOM 693 CA ALA A 48 -7.218 -12.288 -1.316 1.00 4.34 C ATOM 694 C ALA A 48 -6.315 -13.329 -0.662 1.00 73.33 C ATOM 695 O ALA A 48 -6.583 -13.793 0.446 1.00 72.03 O ATOM 696 CB ALA A 48 -7.922 -12.882 -2.526 1.00 74.01 C ATOM 0 H ALA A 48 -6.565 -10.837 -2.680 1.00 24.52 H new ATOM 0 HA ALA A 48 -7.969 -11.987 -0.585 1.00 4.34 H new ATOM 0 HB1 ALA A 48 -8.483 -13.766 -2.223 1.00 74.01 H new ATOM 0 HB2 ALA A 48 -8.605 -12.145 -2.947 1.00 74.01 H new ATOM 0 HB3 ALA A 48 -7.182 -13.162 -3.276 1.00 74.01 H new ATOM 702 N THR A 49 -5.242 -13.694 -1.358 1.00 61.33 N ATOM 703 CA THR A 49 -4.300 -14.682 -0.848 1.00 42.10 C ATOM 704 C THR A 49 -3.160 -14.916 -1.833 1.00 51.52 C ATOM 705 O THR A 49 -3.334 -14.836 -3.049 1.00 62.25 O ATOM 706 CB THR A 49 -4.996 -16.025 -0.558 1.00 11.12 C ATOM 707 OG1 THR A 49 -4.026 -17.076 -0.497 1.00 74.42 O ATOM 708 CG2 THR A 49 -6.029 -16.341 -1.628 1.00 74.02 C ATOM 0 H THR A 49 -5.004 -13.320 -2.277 1.00 61.33 H new ATOM 0 HA THR A 49 -3.896 -14.282 0.082 1.00 42.10 H new ATOM 0 HB THR A 49 -5.505 -15.946 0.403 1.00 11.12 H new ATOM 0 HG1 THR A 49 -4.476 -17.926 -0.311 1.00 74.42 H new ATOM 0 HG21 THR A 49 -6.507 -17.294 -1.402 1.00 74.02 H new ATOM 0 HG22 THR A 49 -6.782 -15.553 -1.651 1.00 74.02 H new ATOM 0 HG23 THR A 49 -5.539 -16.403 -2.600 1.00 74.02 H new ATOM 716 N PRO A 50 -1.966 -15.212 -1.299 1.00 54.31 N ATOM 717 CA PRO A 50 -0.775 -15.465 -2.114 1.00 31.44 C ATOM 718 C PRO A 50 -0.867 -16.779 -2.884 1.00 3.31 C ATOM 719 O PRO A 50 -1.737 -17.613 -2.633 1.00 10.11 O ATOM 720 CB PRO A 50 0.354 -15.527 -1.083 1.00 63.33 C ATOM 721 CG PRO A 50 -0.313 -15.932 0.186 1.00 72.44 C ATOM 722 CD PRO A 50 -1.688 -15.325 0.143 1.00 41.44 C ATOM 0 HA PRO A 50 -0.633 -14.699 -2.876 1.00 31.44 H new ATOM 0 HB2 PRO A 50 1.118 -16.247 -1.376 1.00 63.33 H new ATOM 0 HB3 PRO A 50 0.849 -14.561 -0.979 1.00 63.33 H new ATOM 0 HG2 PRO A 50 -0.368 -17.017 0.269 1.00 72.44 H new ATOM 0 HG3 PRO A 50 0.245 -15.574 1.051 1.00 72.44 H new ATOM 0 HD2 PRO A 50 -2.422 -15.956 0.645 1.00 41.44 H new ATOM 0 HD3 PRO A 50 -1.714 -14.353 0.635 1.00 41.44 H new ATOM 727 N PRO A 51 0.052 -16.970 -3.842 1.00 45.33 N ATOM 728 CA PRO A 51 0.095 -18.181 -4.666 1.00 5.22 C ATOM 729 C PRO A 51 0.528 -19.408 -3.871 1.00 13.33 C ATOM 730 O PRO A 51 1.671 -19.520 -3.428 1.00 63.33 O ATOM 731 CB PRO A 51 1.136 -17.845 -5.737 1.00 5.42 C ATOM 732 CG PRO A 51 2.010 -16.816 -5.106 1.00 4.11 C ATOM 733 CD PRO A 51 1.118 -16.018 -4.195 1.00 25.15 C ATOM 0 HA PRO A 51 -0.886 -18.434 -5.069 1.00 5.22 H new ATOM 0 HB2 PRO A 51 1.707 -18.728 -6.024 1.00 5.42 H new ATOM 0 HB3 PRO A 51 0.664 -17.462 -6.642 1.00 5.42 H new ATOM 0 HG2 PRO A 51 2.821 -17.282 -4.547 1.00 4.11 H new ATOM 0 HG3 PRO A 51 2.469 -16.177 -5.861 1.00 4.11 H new ATOM 0 HD2 PRO A 51 1.654 -15.669 -3.312 1.00 25.15 H new ATOM 0 HD3 PRO A 51 0.719 -15.135 -4.695 1.00 25.15 H new ATOM 738 N PRO A 52 -0.406 -20.352 -3.684 1.00 13.32 N ATOM 739 CA PRO A 52 -0.144 -21.589 -2.942 1.00 32.14 C ATOM 740 C PRO A 52 0.794 -22.528 -3.692 1.00 42.12 C ATOM 741 O PRO A 52 1.445 -22.129 -4.658 1.00 32.10 O ATOM 742 CB PRO A 52 -1.532 -22.220 -2.803 1.00 14.34 C ATOM 743 CG PRO A 52 -2.312 -21.676 -3.949 1.00 15.44 C ATOM 744 CD PRO A 52 -1.790 -20.286 -4.183 1.00 55.10 C ATOM 0 HA PRO A 52 0.349 -21.395 -1.990 1.00 32.14 H new ATOM 0 HB2 PRO A 52 -1.478 -23.308 -2.842 1.00 14.34 H new ATOM 0 HB3 PRO A 52 -1.993 -21.958 -1.851 1.00 14.34 H new ATOM 0 HG2 PRO A 52 -2.184 -22.295 -4.837 1.00 15.44 H new ATOM 0 HG3 PRO A 52 -3.378 -21.659 -3.723 1.00 15.44 H new ATOM 0 HD2 PRO A 52 -1.824 -20.017 -5.239 1.00 55.10 H new ATOM 0 HD3 PRO A 52 -2.376 -19.541 -3.645 1.00 55.10 H new ATOM 749 N SER A 53 0.860 -23.776 -3.241 1.00 20.41 N ATOM 750 CA SER A 53 1.722 -24.771 -3.868 1.00 24.34 C ATOM 751 C SER A 53 1.245 -26.184 -3.546 1.00 63.42 C ATOM 752 O SER A 53 1.997 -26.999 -3.012 1.00 4.32 O ATOM 753 CB SER A 53 3.169 -24.590 -3.402 1.00 12.43 C ATOM 754 OG SER A 53 3.752 -23.439 -3.987 1.00 4.23 O ATOM 0 H SER A 53 0.327 -24.123 -2.443 1.00 20.41 H new ATOM 0 HA SER A 53 1.675 -24.628 -4.948 1.00 24.34 H new ATOM 0 HB2 SER A 53 3.197 -24.504 -2.316 1.00 12.43 H new ATOM 0 HB3 SER A 53 3.753 -25.472 -3.666 1.00 12.43 H new ATOM 0 HG SER A 53 3.056 -22.906 -4.424 1.00 4.23 H new ATOM 759 N ALA A 54 -0.011 -26.468 -3.876 1.00 63.31 N ATOM 760 CA ALA A 54 -0.588 -27.782 -3.625 1.00 14.41 C ATOM 761 C ALA A 54 -0.406 -28.192 -2.167 1.00 75.03 C ATOM 762 O ALA A 54 -0.204 -29.368 -1.865 1.00 40.45 O ATOM 763 CB ALA A 54 0.034 -28.818 -4.549 1.00 12.43 C ATOM 0 H ALA A 54 -0.648 -25.805 -4.318 1.00 63.31 H new ATOM 0 HA ALA A 54 -1.657 -27.727 -3.829 1.00 14.41 H new ATOM 0 HB1 ALA A 54 -0.407 -29.795 -4.350 1.00 12.43 H new ATOM 0 HB2 ALA A 54 -0.154 -28.540 -5.586 1.00 12.43 H new ATOM 0 HB3 ALA A 54 1.109 -28.863 -4.374 1.00 12.43 H new ATOM 769 N GLN A 55 -0.479 -27.215 -1.269 1.00 50.04 N ATOM 770 CA GLN A 55 -0.321 -27.476 0.157 1.00 21.41 C ATOM 771 C GLN A 55 -0.951 -26.363 0.988 1.00 35.23 C ATOM 772 O GLN A 55 -0.264 -25.535 1.585 1.00 14.10 O ATOM 773 CB GLN A 55 1.162 -27.614 0.510 1.00 73.21 C ATOM 774 CG GLN A 55 1.656 -29.051 0.507 1.00 21.34 C ATOM 775 CD GLN A 55 2.861 -29.255 1.404 1.00 34.13 C ATOM 776 OE1 GLN A 55 3.556 -28.302 1.755 1.00 44.20 O ATOM 777 NE2 GLN A 55 3.115 -30.503 1.780 1.00 1.04 N ATOM 0 H GLN A 55 -0.646 -26.236 -1.503 1.00 50.04 H new ATOM 0 HA GLN A 55 -0.832 -28.411 0.388 1.00 21.41 H new ATOM 0 HB2 GLN A 55 1.752 -27.034 -0.200 1.00 73.21 H new ATOM 0 HB3 GLN A 55 1.334 -27.181 1.495 1.00 73.21 H new ATOM 0 HG2 GLN A 55 0.850 -29.709 0.832 1.00 21.34 H new ATOM 0 HG3 GLN A 55 1.913 -29.341 -0.512 1.00 21.34 H new ATOM 0 HE21 GLN A 55 2.512 -31.263 1.465 1.00 1.04 H new ATOM 0 HE22 GLN A 55 3.913 -30.701 2.384 1.00 1.04 H new ATOM 784 N PRO A 56 -2.292 -26.342 1.026 1.00 42.42 N ATOM 785 CA PRO A 56 -3.046 -25.335 1.781 1.00 70.21 C ATOM 786 C PRO A 56 -2.907 -25.517 3.289 1.00 62.43 C ATOM 787 O PRO A 56 -2.902 -26.642 3.790 1.00 74.34 O ATOM 788 CB PRO A 56 -4.493 -25.575 1.344 1.00 2.01 C ATOM 789 CG PRO A 56 -4.530 -27.003 0.922 1.00 70.35 C ATOM 790 CD PRO A 56 -3.176 -27.297 0.338 1.00 21.52 C ATOM 0 HA PRO A 56 -2.689 -24.324 1.583 1.00 70.21 H new ATOM 0 HB2 PRO A 56 -5.190 -25.385 2.161 1.00 2.01 H new ATOM 0 HB3 PRO A 56 -4.774 -24.913 0.525 1.00 2.01 H new ATOM 0 HG2 PRO A 56 -4.739 -27.655 1.770 1.00 70.35 H new ATOM 0 HG3 PRO A 56 -5.317 -27.173 0.187 1.00 70.35 H new ATOM 0 HD2 PRO A 56 -2.874 -28.328 0.522 1.00 21.52 H new ATOM 0 HD3 PRO A 56 -3.164 -27.150 -0.742 1.00 21.52 H new ATOM 795 N TRP A 57 -2.795 -24.405 4.006 1.00 54.24 N ATOM 796 CA TRP A 57 -2.658 -24.442 5.457 1.00 23.25 C ATOM 797 C TRP A 57 -4.023 -24.486 6.133 1.00 43.32 C ATOM 798 O TRP A 57 -5.049 -24.657 5.473 1.00 42.32 O ATOM 799 CB TRP A 57 -1.871 -23.226 5.947 1.00 23.45 C ATOM 800 CG TRP A 57 -0.567 -23.035 5.232 1.00 73.23 C ATOM 801 CD1 TRP A 57 -0.383 -22.471 4.002 1.00 33.45 C ATOM 802 CD2 TRP A 57 0.732 -23.409 5.703 1.00 63.41 C ATOM 803 NE1 TRP A 57 0.954 -22.472 3.679 1.00 13.11 N ATOM 804 CE2 TRP A 57 1.658 -23.042 4.707 1.00 65.23 C ATOM 805 CE3 TRP A 57 1.203 -24.017 6.869 1.00 4.10 C ATOM 806 CZ2 TRP A 57 3.026 -23.263 4.844 1.00 12.24 C ATOM 807 CZ3 TRP A 57 2.562 -24.237 7.004 1.00 53.21 C ATOM 808 CH2 TRP A 57 3.460 -23.860 5.997 1.00 34.54 C ATOM 0 H TRP A 57 -2.796 -23.467 3.606 1.00 54.24 H new ATOM 0 HA TRP A 57 -2.114 -25.349 5.722 1.00 23.25 H new ATOM 0 HB2 TRP A 57 -2.481 -22.332 5.820 1.00 23.45 H new ATOM 0 HB3 TRP A 57 -1.680 -23.332 7.015 1.00 23.45 H new ATOM 0 HD1 TRP A 57 -1.171 -22.081 3.375 1.00 33.45 H new ATOM 0 HE1 TRP A 57 1.356 -22.108 2.815 1.00 13.11 H new ATOM 0 HE3 TRP A 57 0.518 -24.310 7.651 1.00 4.10 H new ATOM 0 HZ2 TRP A 57 3.720 -22.974 4.068 1.00 12.24 H new ATOM 0 HZ3 TRP A 57 2.937 -24.707 7.901 1.00 53.21 H new ATOM 0 HH2 TRP A 57 4.515 -24.044 6.133 1.00 34.54 H new ATOM 818 N LYS A 58 -4.031 -24.329 7.453 1.00 21.21 N ATOM 819 CA LYS A 58 -5.272 -24.347 8.219 1.00 20.52 C ATOM 820 C LYS A 58 -5.814 -22.935 8.412 1.00 61.34 C ATOM 821 O LYS A 58 -7.024 -22.728 8.480 1.00 11.33 O ATOM 822 CB LYS A 58 -5.045 -25.009 9.580 1.00 22.04 C ATOM 823 CG LYS A 58 -6.171 -25.935 10.001 1.00 11.34 C ATOM 824 CD LYS A 58 -5.944 -26.492 11.397 1.00 3.02 C ATOM 825 CE LYS A 58 -7.153 -27.271 11.891 1.00 45.11 C ATOM 826 NZ LYS A 58 -6.802 -28.674 12.246 1.00 2.33 N ATOM 0 H LYS A 58 -3.191 -24.188 8.015 1.00 21.21 H new ATOM 0 HA LYS A 58 -6.007 -24.925 7.659 1.00 20.52 H new ATOM 0 HB2 LYS A 58 -4.114 -25.574 9.549 1.00 22.04 H new ATOM 0 HB3 LYS A 58 -4.922 -24.233 10.336 1.00 22.04 H new ATOM 0 HG2 LYS A 58 -7.117 -25.394 9.974 1.00 11.34 H new ATOM 0 HG3 LYS A 58 -6.253 -26.757 9.289 1.00 11.34 H new ATOM 0 HD2 LYS A 58 -5.069 -27.142 11.393 1.00 3.02 H new ATOM 0 HD3 LYS A 58 -5.731 -25.674 12.086 1.00 3.02 H new ATOM 0 HE2 LYS A 58 -7.576 -26.771 12.762 1.00 45.11 H new ATOM 0 HE3 LYS A 58 -7.923 -27.273 11.120 1.00 45.11 H new ATOM 0 HZ1 LYS A 58 -7.653 -29.171 12.578 1.00 2.33 H new ATOM 0 HZ2 LYS A 58 -6.422 -29.159 11.408 1.00 2.33 H new ATOM 0 HZ3 LYS A 58 -6.086 -28.672 13.000 1.00 2.33 H new ATOM 836 N GLY A 59 -4.908 -21.966 8.499 1.00 42.03 N ATOM 837 CA GLY A 59 -5.314 -20.584 8.682 1.00 13.43 C ATOM 838 C GLY A 59 -4.258 -19.601 8.216 1.00 33.15 C ATOM 839 O GLY A 59 -4.572 -18.604 7.567 1.00 61.41 O ATOM 0 H GLY A 59 -3.900 -22.113 8.446 1.00 42.03 H new ATOM 0 HA2 GLY A 59 -6.239 -20.405 8.134 1.00 13.43 H new ATOM 0 HA3 GLY A 59 -5.529 -20.409 9.736 1.00 13.43 H new ATOM 843 N ASP A 60 -3.004 -19.883 8.550 1.00 64.35 N ATOM 844 CA ASP A 60 -1.897 -19.016 8.162 1.00 44.43 C ATOM 845 C ASP A 60 -2.039 -17.637 8.797 1.00 51.43 C ATOM 846 O ASP A 60 -3.120 -17.232 9.226 1.00 53.54 O ATOM 847 CB ASP A 60 -1.831 -18.886 6.640 1.00 55.24 C ATOM 848 CG ASP A 60 -0.618 -19.579 6.052 1.00 74.22 C ATOM 849 OD1 ASP A 60 -0.133 -20.549 6.669 1.00 31.55 O ATOM 850 OD2 ASP A 60 -0.154 -19.150 4.974 1.00 4.21 O ATOM 0 H ASP A 60 -2.728 -20.704 9.088 1.00 64.35 H new ATOM 0 HA ASP A 60 -0.972 -19.468 8.520 1.00 44.43 H new ATOM 0 HB2 ASP A 60 -2.735 -19.309 6.203 1.00 55.24 H new ATOM 0 HB3 ASP A 60 -1.810 -17.830 6.369 1.00 55.24 H new ATOM 854 N PRO A 61 -0.923 -16.895 8.860 1.00 4.31 N ATOM 855 CA PRO A 61 -0.899 -15.549 9.442 1.00 24.35 C ATOM 856 C PRO A 61 -1.641 -14.533 8.583 1.00 53.42 C ATOM 857 O PRO A 61 -1.350 -14.375 7.397 1.00 21.25 O ATOM 858 CB PRO A 61 0.595 -15.214 9.496 1.00 10.55 C ATOM 859 CG PRO A 61 1.209 -16.047 8.424 1.00 22.21 C ATOM 860 CD PRO A 61 0.400 -17.313 8.369 1.00 30.23 C ATOM 0 HA PRO A 61 -1.394 -15.515 10.413 1.00 24.35 H new ATOM 0 HB2 PRO A 61 0.769 -14.152 9.321 1.00 10.55 H new ATOM 0 HB3 PRO A 61 1.019 -15.450 10.472 1.00 10.55 H new ATOM 0 HG2 PRO A 61 1.187 -15.528 7.466 1.00 22.21 H new ATOM 0 HG3 PRO A 61 2.254 -16.261 8.647 1.00 22.21 H new ATOM 0 HD2 PRO A 61 0.345 -17.711 7.356 1.00 30.23 H new ATOM 0 HD3 PRO A 61 0.833 -18.094 8.995 1.00 30.23 H new ATOM 865 N VAL A 62 -2.604 -13.845 9.188 1.00 44.21 N ATOM 866 CA VAL A 62 -3.389 -12.841 8.479 1.00 64.34 C ATOM 867 C VAL A 62 -2.489 -11.774 7.863 1.00 1.45 C ATOM 868 O VAL A 62 -2.859 -11.127 6.884 1.00 44.30 O ATOM 869 CB VAL A 62 -4.408 -12.161 9.413 1.00 21.21 C ATOM 870 CG1 VAL A 62 -3.705 -11.548 10.615 1.00 34.41 C ATOM 871 CG2 VAL A 62 -5.203 -11.109 8.656 1.00 1.40 C ATOM 0 H VAL A 62 -2.860 -13.965 10.168 1.00 44.21 H new ATOM 0 HA VAL A 62 -3.926 -13.362 7.686 1.00 64.34 H new ATOM 0 HB VAL A 62 -5.103 -12.917 9.777 1.00 21.21 H new ATOM 0 HG11 VAL A 62 -4.441 -11.072 11.263 1.00 34.41 H new ATOM 0 HG12 VAL A 62 -3.184 -12.329 11.169 1.00 34.41 H new ATOM 0 HG13 VAL A 62 -2.986 -10.803 10.275 1.00 34.41 H new ATOM 0 HG21 VAL A 62 -5.918 -10.638 9.330 1.00 1.40 H new ATOM 0 HG22 VAL A 62 -4.524 -10.353 8.262 1.00 1.40 H new ATOM 0 HG23 VAL A 62 -5.738 -11.581 7.832 1.00 1.40 H new ATOM 881 N GLU A 63 -1.307 -11.598 8.444 1.00 24.43 N ATOM 882 CA GLU A 63 -0.355 -10.609 7.953 1.00 22.50 C ATOM 883 C GLU A 63 -0.046 -10.839 6.476 1.00 2.31 C ATOM 884 O GLU A 63 0.296 -9.904 5.751 1.00 33.53 O ATOM 885 CB GLU A 63 0.938 -10.663 8.770 1.00 41.31 C ATOM 886 CG GLU A 63 1.340 -9.322 9.361 1.00 71.43 C ATOM 887 CD GLU A 63 2.838 -9.091 9.317 1.00 1.12 C ATOM 888 OE1 GLU A 63 3.411 -9.123 8.208 1.00 74.15 O ATOM 889 OE2 GLU A 63 3.438 -8.880 10.392 1.00 41.51 O ATOM 0 H GLU A 63 -0.986 -12.127 9.255 1.00 24.43 H new ATOM 0 HA GLU A 63 -0.805 -9.622 8.064 1.00 22.50 H new ATOM 0 HB2 GLU A 63 0.818 -11.385 9.577 1.00 41.31 H new ATOM 0 HB3 GLU A 63 1.745 -11.027 8.134 1.00 41.31 H new ATOM 0 HG2 GLU A 63 0.837 -8.523 8.816 1.00 71.43 H new ATOM 0 HG3 GLU A 63 0.998 -9.267 10.394 1.00 71.43 H new ATOM 894 N GLN A 64 -0.168 -12.088 6.039 1.00 51.15 N ATOM 895 CA GLN A 64 0.100 -12.441 4.650 1.00 41.15 C ATOM 896 C GLN A 64 -0.983 -11.885 3.729 1.00 24.32 C ATOM 897 O GLN A 64 -0.742 -11.646 2.545 1.00 4.41 O ATOM 898 CB GLN A 64 0.187 -13.960 4.495 1.00 72.40 C ATOM 899 CG GLN A 64 0.955 -14.402 3.259 1.00 12.31 C ATOM 900 CD GLN A 64 2.455 -14.393 3.470 1.00 65.34 C ATOM 901 OE1 GLN A 64 2.968 -15.025 4.393 1.00 64.12 O ATOM 902 NE2 GLN A 64 3.169 -13.673 2.612 1.00 41.24 N ATOM 0 H GLN A 64 -0.451 -12.872 6.627 1.00 51.15 H new ATOM 0 HA GLN A 64 1.055 -11.999 4.367 1.00 41.15 H new ATOM 0 HB2 GLN A 64 0.665 -14.380 5.380 1.00 72.40 H new ATOM 0 HB3 GLN A 64 -0.822 -14.371 4.452 1.00 72.40 H new ATOM 0 HG2 GLN A 64 0.637 -15.406 2.979 1.00 12.31 H new ATOM 0 HG3 GLN A 64 0.705 -13.745 2.426 1.00 12.31 H new ATOM 0 HE21 GLN A 64 2.702 -13.164 1.861 1.00 41.24 H new ATOM 0 HE22 GLN A 64 4.184 -13.629 2.704 1.00 41.24 H new ATOM 909 N LEU A 65 -2.174 -11.683 4.280 1.00 53.12 N ATOM 910 CA LEU A 65 -3.295 -11.157 3.509 1.00 64.54 C ATOM 911 C LEU A 65 -3.067 -9.691 3.150 1.00 14.34 C ATOM 912 O LEU A 65 -3.616 -9.188 2.169 1.00 2.34 O ATOM 913 CB LEU A 65 -4.597 -11.305 4.297 1.00 63.44 C ATOM 914 CG LEU A 65 -4.810 -12.648 4.994 1.00 31.10 C ATOM 915 CD1 LEU A 65 -6.182 -12.698 5.648 1.00 13.41 C ATOM 916 CD2 LEU A 65 -4.646 -13.794 4.005 1.00 1.24 C ATOM 0 H LEU A 65 -2.389 -11.875 5.258 1.00 53.12 H new ATOM 0 HA LEU A 65 -3.371 -11.731 2.586 1.00 64.54 H new ATOM 0 HB2 LEU A 65 -4.634 -10.518 5.050 1.00 63.44 H new ATOM 0 HB3 LEU A 65 -5.431 -11.135 3.617 1.00 63.44 H new ATOM 0 HG LEU A 65 -4.055 -12.756 5.773 1.00 31.10 H new ATOM 0 HD11 LEU A 65 -6.316 -13.662 6.139 1.00 13.41 H new ATOM 0 HD12 LEU A 65 -6.263 -11.900 6.386 1.00 13.41 H new ATOM 0 HD13 LEU A 65 -6.952 -12.568 4.888 1.00 13.41 H new ATOM 0 HD21 LEU A 65 -4.801 -14.743 4.519 1.00 1.24 H new ATOM 0 HD22 LEU A 65 -5.378 -13.691 3.204 1.00 1.24 H new ATOM 0 HD23 LEU A 65 -3.641 -13.770 3.583 1.00 1.24 H new ATOM 927 N VAL A 66 -2.253 -9.010 3.951 1.00 24.45 N ATOM 928 CA VAL A 66 -1.950 -7.604 3.716 1.00 50.22 C ATOM 929 C VAL A 66 -0.466 -7.401 3.433 1.00 11.11 C ATOM 930 O VAL A 66 0.389 -7.802 4.224 1.00 55.34 O ATOM 931 CB VAL A 66 -2.354 -6.735 4.922 1.00 54.52 C ATOM 932 CG1 VAL A 66 -1.997 -5.277 4.673 1.00 63.43 C ATOM 933 CG2 VAL A 66 -3.841 -6.885 5.212 1.00 61.34 C ATOM 0 H VAL A 66 -1.792 -9.410 4.768 1.00 24.45 H new ATOM 0 HA VAL A 66 -2.528 -7.297 2.845 1.00 50.22 H new ATOM 0 HB VAL A 66 -1.799 -7.077 5.796 1.00 54.52 H new ATOM 0 HG11 VAL A 66 -2.290 -4.678 5.536 1.00 63.43 H new ATOM 0 HG12 VAL A 66 -0.922 -5.187 4.517 1.00 63.43 H new ATOM 0 HG13 VAL A 66 -2.523 -4.920 3.788 1.00 63.43 H new ATOM 0 HG21 VAL A 66 -4.109 -6.264 6.067 1.00 61.34 H new ATOM 0 HG22 VAL A 66 -4.415 -6.570 4.341 1.00 61.34 H new ATOM 0 HG23 VAL A 66 -4.065 -7.928 5.436 1.00 61.34 H new ATOM 943 N ARG A 67 -0.165 -6.776 2.299 1.00 1.20 N ATOM 944 CA ARG A 67 1.216 -6.520 1.911 1.00 65.11 C ATOM 945 C ARG A 67 1.538 -5.031 1.993 1.00 13.51 C ATOM 946 O ARG A 67 0.960 -4.219 1.268 1.00 32.10 O ATOM 947 CB ARG A 67 1.472 -7.031 0.491 1.00 42.31 C ATOM 948 CG ARG A 67 2.510 -8.138 0.421 1.00 31.40 C ATOM 949 CD ARG A 67 1.862 -9.512 0.468 1.00 34.35 C ATOM 950 NE ARG A 67 2.162 -10.302 -0.724 1.00 61.45 N ATOM 951 CZ ARG A 67 1.537 -11.432 -1.035 1.00 21.40 C ATOM 952 NH1 ARG A 67 0.583 -11.905 -0.246 1.00 43.35 N ATOM 953 NH2 ARG A 67 1.867 -12.092 -2.138 1.00 23.42 N ATOM 0 H ARG A 67 -0.860 -6.438 1.633 1.00 1.20 H new ATOM 0 HA ARG A 67 1.866 -7.053 2.605 1.00 65.11 H new ATOM 0 HB2 ARG A 67 0.535 -7.396 0.071 1.00 42.31 H new ATOM 0 HB3 ARG A 67 1.798 -6.199 -0.132 1.00 42.31 H new ATOM 0 HG2 ARG A 67 3.088 -8.038 -0.497 1.00 31.40 H new ATOM 0 HG3 ARG A 67 3.209 -8.036 1.251 1.00 31.40 H new ATOM 0 HD2 ARG A 67 2.209 -10.046 1.353 1.00 34.35 H new ATOM 0 HD3 ARG A 67 0.782 -9.400 0.566 1.00 34.35 H new ATOM 0 HE ARG A 67 2.892 -9.967 -1.352 1.00 61.45 H new ATOM 0 HH11 ARG A 67 0.327 -11.401 0.603 1.00 43.35 H new ATOM 0 HH12 ARG A 67 0.105 -12.773 -0.488 1.00 43.35 H new ATOM 0 HH21 ARG A 67 2.601 -11.732 -2.748 1.00 23.42 H new ATOM 0 HH22 ARG A 67 1.387 -12.960 -2.376 1.00 23.42 H new ATOM 964 N HIS A 68 2.461 -4.677 2.880 1.00 0.35 N ATOM 965 CA HIS A 68 2.859 -3.286 3.057 1.00 43.21 C ATOM 966 C HIS A 68 4.346 -3.105 2.768 1.00 71.42 C ATOM 967 O HIS A 68 5.191 -3.784 3.352 1.00 33.13 O ATOM 968 CB HIS A 68 2.545 -2.820 4.479 1.00 40.41 C ATOM 969 CG HIS A 68 3.096 -3.722 5.541 1.00 53.14 C ATOM 970 ND1 HIS A 68 4.371 -3.595 6.049 1.00 43.34 N ATOM 971 CD2 HIS A 68 2.536 -4.769 6.191 1.00 43.44 C ATOM 972 CE1 HIS A 68 4.573 -4.524 6.965 1.00 32.32 C ATOM 973 NE2 HIS A 68 3.475 -5.250 7.071 1.00 13.43 N ATOM 0 H HIS A 68 2.948 -5.335 3.488 1.00 0.35 H new ATOM 0 HA HIS A 68 2.292 -2.680 2.350 1.00 43.21 H new ATOM 0 HB2 HIS A 68 2.948 -1.817 4.621 1.00 40.41 H new ATOM 0 HB3 HIS A 68 1.464 -2.749 4.599 1.00 40.41 H new ATOM 0 HD2 HIS A 68 1.538 -5.154 6.045 1.00 43.44 H new ATOM 0 HE1 HIS A 68 5.482 -4.666 7.531 1.00 32.32 H new ATOM 0 HE2 HIS A 68 3.345 -6.040 7.703 1.00 13.43 H new ATOM 980 N PHE A 69 4.660 -2.185 1.861 1.00 74.51 N ATOM 981 CA PHE A 69 6.044 -1.916 1.492 1.00 60.22 C ATOM 982 C PHE A 69 6.336 -0.419 1.528 1.00 45.44 C ATOM 983 O PHE A 69 5.430 0.405 1.395 1.00 2.02 O ATOM 984 CB PHE A 69 6.340 -2.470 0.096 1.00 30.13 C ATOM 985 CG PHE A 69 6.047 -3.937 -0.040 1.00 20.24 C ATOM 986 CD1 PHE A 69 6.940 -4.883 0.440 1.00 40.12 C ATOM 987 CD2 PHE A 69 4.881 -4.372 -0.648 1.00 11.20 C ATOM 988 CE1 PHE A 69 6.674 -6.234 0.316 1.00 45.11 C ATOM 989 CE2 PHE A 69 4.609 -5.721 -0.773 1.00 25.12 C ATOM 990 CZ PHE A 69 5.508 -6.653 -0.292 1.00 2.53 C ATOM 0 H PHE A 69 3.974 -1.613 1.368 1.00 74.51 H new ATOM 0 HA PHE A 69 6.689 -2.412 2.217 1.00 60.22 H new ATOM 0 HB2 PHE A 69 5.750 -1.920 -0.637 1.00 30.13 H new ATOM 0 HB3 PHE A 69 7.389 -2.293 -0.142 1.00 30.13 H new ATOM 0 HD1 PHE A 69 7.854 -4.561 0.916 1.00 40.12 H new ATOM 0 HD2 PHE A 69 4.176 -3.648 -1.029 1.00 11.20 H new ATOM 0 HE1 PHE A 69 7.378 -6.961 0.694 1.00 45.11 H new ATOM 0 HE2 PHE A 69 3.694 -6.046 -1.246 1.00 25.12 H new ATOM 0 HZ PHE A 69 5.299 -7.708 -0.392 1.00 2.53 H new ATOM 999 N LEU A 70 7.606 -0.074 1.710 1.00 32.41 N ATOM 1000 CA LEU A 70 8.019 1.324 1.764 1.00 3.20 C ATOM 1001 C LEU A 70 8.579 1.780 0.421 1.00 32.35 C ATOM 1002 O LEU A 70 9.455 1.128 -0.150 1.00 42.13 O ATOM 1003 CB LEU A 70 9.066 1.525 2.862 1.00 31.51 C ATOM 1004 CG LEU A 70 10.466 0.989 2.559 1.00 53.21 C ATOM 1005 CD1 LEU A 70 11.380 2.113 2.099 1.00 51.43 C ATOM 1006 CD2 LEU A 70 11.047 0.293 3.781 1.00 44.24 C ATOM 0 H LEU A 70 8.368 -0.743 1.823 1.00 32.41 H new ATOM 0 HA LEU A 70 7.141 1.928 1.993 1.00 3.20 H new ATOM 0 HB2 LEU A 70 9.144 2.592 3.071 1.00 31.51 H new ATOM 0 HB3 LEU A 70 8.705 1.047 3.773 1.00 31.51 H new ATOM 0 HG LEU A 70 10.388 0.259 1.753 1.00 53.21 H new ATOM 0 HD11 LEU A 70 12.372 1.712 1.888 1.00 51.43 H new ATOM 0 HD12 LEU A 70 10.972 2.567 1.196 1.00 51.43 H new ATOM 0 HD13 LEU A 70 11.452 2.867 2.883 1.00 51.43 H new ATOM 0 HD21 LEU A 70 12.043 -0.082 3.547 1.00 44.24 H new ATOM 0 HD22 LEU A 70 11.111 1.001 4.607 1.00 44.24 H new ATOM 0 HD23 LEU A 70 10.404 -0.540 4.066 1.00 44.24 H new ATOM 1017 N ILE A 71 8.070 2.902 -0.077 1.00 22.34 N ATOM 1018 CA ILE A 71 8.523 3.445 -1.351 1.00 42.13 C ATOM 1019 C ILE A 71 9.425 4.658 -1.143 1.00 33.35 C ATOM 1020 O ILE A 71 9.126 5.533 -0.331 1.00 34.43 O ATOM 1021 CB ILE A 71 7.336 3.851 -2.244 1.00 75.03 C ATOM 1022 CG1 ILE A 71 6.222 2.804 -2.157 1.00 62.30 C ATOM 1023 CG2 ILE A 71 7.792 4.027 -3.685 1.00 43.24 C ATOM 1024 CD1 ILE A 71 5.075 3.215 -1.261 1.00 41.22 C ATOM 0 H ILE A 71 7.344 3.452 0.382 1.00 22.34 H new ATOM 0 HA ILE A 71 9.088 2.655 -1.847 1.00 42.13 H new ATOM 0 HB ILE A 71 6.943 4.804 -1.889 1.00 75.03 H new ATOM 0 HG12 ILE A 71 5.838 2.610 -3.159 1.00 62.30 H new ATOM 0 HG13 ILE A 71 6.642 1.868 -1.789 1.00 62.30 H new ATOM 0 HG21 ILE A 71 6.941 4.314 -4.303 1.00 43.24 H new ATOM 0 HG22 ILE A 71 8.554 4.805 -3.733 1.00 43.24 H new ATOM 0 HG23 ILE A 71 8.207 3.089 -4.052 1.00 43.24 H new ATOM 0 HD11 ILE A 71 4.323 2.426 -1.247 1.00 41.22 H new ATOM 0 HD12 ILE A 71 5.445 3.381 -0.249 1.00 41.22 H new ATOM 0 HD13 ILE A 71 4.629 4.134 -1.640 1.00 41.22 H new ATOM 1035 N GLU A 72 10.528 4.701 -1.883 1.00 22.02 N ATOM 1036 CA GLU A 72 11.473 5.807 -1.779 1.00 54.11 C ATOM 1037 C GLU A 72 11.532 6.596 -3.084 1.00 1.03 C ATOM 1038 O GLU A 72 11.423 6.029 -4.172 1.00 71.43 O ATOM 1039 CB GLU A 72 12.867 5.285 -1.422 1.00 75.30 C ATOM 1040 CG GLU A 72 13.450 4.345 -2.464 1.00 52.42 C ATOM 1041 CD GLU A 72 14.863 3.909 -2.131 1.00 73.03 C ATOM 1042 OE1 GLU A 72 15.693 4.785 -1.807 1.00 10.13 O ATOM 1043 OE2 GLU A 72 15.139 2.693 -2.195 1.00 30.11 O ATOM 0 H GLU A 72 10.789 3.984 -2.560 1.00 22.02 H new ATOM 0 HA GLU A 72 11.129 6.472 -0.987 1.00 54.11 H new ATOM 0 HB2 GLU A 72 13.541 6.132 -1.292 1.00 75.30 H new ATOM 0 HB3 GLU A 72 12.817 4.767 -0.464 1.00 75.30 H new ATOM 0 HG2 GLU A 72 12.813 3.465 -2.551 1.00 52.42 H new ATOM 0 HG3 GLU A 72 13.446 4.838 -3.436 1.00 52.42 H new ATOM 1048 N THR A 73 11.706 7.909 -2.968 1.00 14.53 N ATOM 1049 CA THR A 73 11.778 8.777 -4.136 1.00 5.10 C ATOM 1050 C THR A 73 13.161 9.403 -4.271 1.00 51.13 C ATOM 1051 O THR A 73 13.632 10.093 -3.367 1.00 53.02 O ATOM 1052 CB THR A 73 10.723 9.897 -4.069 1.00 62.32 C ATOM 1053 OG1 THR A 73 10.968 10.863 -5.099 1.00 22.24 O ATOM 1054 CG2 THR A 73 10.746 10.582 -2.711 1.00 54.11 C ATOM 0 H THR A 73 11.800 8.394 -2.076 1.00 14.53 H new ATOM 0 HA THR A 73 11.579 8.153 -5.007 1.00 5.10 H new ATOM 0 HB THR A 73 9.740 9.449 -4.216 1.00 62.32 H new ATOM 0 HG1 THR A 73 10.292 11.571 -5.051 1.00 22.24 H new ATOM 0 HG21 THR A 73 9.992 11.369 -2.688 1.00 54.11 H new ATOM 0 HG22 THR A 73 10.532 9.851 -1.931 1.00 54.11 H new ATOM 0 HG23 THR A 73 11.731 11.017 -2.540 1.00 54.11 H new ATOM 1062 N GLY A 74 13.809 9.160 -5.406 1.00 74.02 N ATOM 1063 CA GLY A 74 15.132 9.708 -5.639 1.00 64.10 C ATOM 1064 C GLY A 74 15.222 10.475 -6.944 1.00 32.14 C ATOM 1065 O GLY A 74 14.211 10.791 -7.573 1.00 2.04 O ATOM 0 H GLY A 74 13.441 8.593 -6.169 1.00 74.02 H new ATOM 0 HA2 GLY A 74 15.398 10.369 -4.814 1.00 64.10 H new ATOM 0 HA3 GLY A 74 15.861 8.898 -5.647 1.00 64.10 H new ATOM 1069 N PRO A 75 16.455 10.784 -7.368 1.00 74.04 N ATOM 1070 CA PRO A 75 16.702 11.523 -8.611 1.00 14.23 C ATOM 1071 C PRO A 75 16.377 10.697 -9.850 1.00 11.10 C ATOM 1072 O PRO A 75 16.398 11.206 -10.971 1.00 62.43 O ATOM 1073 CB PRO A 75 18.200 11.828 -8.550 1.00 4.10 C ATOM 1074 CG PRO A 75 18.770 10.761 -7.680 1.00 51.44 C ATOM 1075 CD PRO A 75 17.704 10.438 -6.670 1.00 20.02 C ATOM 0 HA PRO A 75 16.075 12.411 -8.689 1.00 14.23 H new ATOM 0 HB2 PRO A 75 18.648 11.810 -9.543 1.00 4.10 H new ATOM 0 HB3 PRO A 75 18.386 12.818 -8.135 1.00 4.10 H new ATOM 0 HG2 PRO A 75 19.034 9.880 -8.265 1.00 51.44 H new ATOM 0 HG3 PRO A 75 19.682 11.103 -7.190 1.00 51.44 H new ATOM 0 HD2 PRO A 75 17.727 9.386 -6.385 1.00 20.02 H new ATOM 0 HD3 PRO A 75 17.827 11.019 -5.756 1.00 20.02 H new ATOM 1080 N LYS A 76 16.075 9.420 -9.643 1.00 21.25 N ATOM 1081 CA LYS A 76 15.743 8.523 -10.743 1.00 0.12 C ATOM 1082 C LYS A 76 14.264 8.154 -10.716 1.00 34.14 C ATOM 1083 O LYS A 76 13.794 7.373 -11.543 1.00 72.22 O ATOM 1084 CB LYS A 76 16.598 7.255 -10.669 1.00 75.24 C ATOM 1085 CG LYS A 76 18.073 7.528 -10.438 1.00 4.11 C ATOM 1086 CD LYS A 76 18.945 6.449 -11.057 1.00 73.50 C ATOM 1087 CE LYS A 76 20.180 7.042 -11.719 1.00 31.03 C ATOM 1088 NZ LYS A 76 20.634 6.224 -12.878 1.00 74.30 N ATOM 0 H LYS A 76 16.053 8.982 -8.722 1.00 21.25 H new ATOM 0 HA LYS A 76 15.953 9.042 -11.679 1.00 0.12 H new ATOM 0 HB2 LYS A 76 16.224 6.622 -9.865 1.00 75.24 H new ATOM 0 HB3 LYS A 76 16.482 6.694 -11.596 1.00 75.24 H new ATOM 0 HG2 LYS A 76 18.335 8.497 -10.863 1.00 4.11 H new ATOM 0 HG3 LYS A 76 18.270 7.586 -9.367 1.00 4.11 H new ATOM 0 HD2 LYS A 76 19.249 5.739 -10.288 1.00 73.50 H new ATOM 0 HD3 LYS A 76 18.368 5.892 -11.795 1.00 73.50 H new ATOM 0 HE2 LYS A 76 19.961 8.056 -12.053 1.00 31.03 H new ATOM 0 HE3 LYS A 76 20.985 7.114 -10.988 1.00 31.03 H new ATOM 0 HZ1 LYS A 76 21.477 6.661 -13.302 1.00 74.30 H new ATOM 0 HZ2 LYS A 76 20.867 5.263 -12.555 1.00 74.30 H new ATOM 0 HZ3 LYS A 76 19.875 6.176 -13.588 1.00 74.30 H new ATOM 1098 N GLY A 77 13.534 8.721 -9.761 1.00 41.34 N ATOM 1099 CA GLY A 77 12.114 8.440 -9.646 1.00 22.31 C ATOM 1100 C GLY A 77 11.758 7.784 -8.327 1.00 43.24 C ATOM 1101 O GLY A 77 12.613 7.617 -7.458 1.00 33.25 O ATOM 0 H GLY A 77 13.900 9.370 -9.064 1.00 41.34 H new ATOM 0 HA2 GLY A 77 11.553 9.369 -9.749 1.00 22.31 H new ATOM 0 HA3 GLY A 77 11.808 7.790 -10.466 1.00 22.31 H new ATOM 1105 N VAL A 78 10.490 7.413 -8.175 1.00 74.53 N ATOM 1106 CA VAL A 78 10.022 6.773 -6.952 1.00 73.34 C ATOM 1107 C VAL A 78 9.656 5.314 -7.202 1.00 62.42 C ATOM 1108 O VAL A 78 8.874 5.003 -8.101 1.00 24.24 O ATOM 1109 CB VAL A 78 8.799 7.505 -6.368 1.00 63.51 C ATOM 1110 CG1 VAL A 78 7.650 7.506 -7.365 1.00 31.54 C ATOM 1111 CG2 VAL A 78 8.375 6.868 -5.054 1.00 33.44 C ATOM 0 H VAL A 78 9.769 7.545 -8.884 1.00 74.53 H new ATOM 0 HA VAL A 78 10.841 6.822 -6.235 1.00 73.34 H new ATOM 0 HB VAL A 78 9.077 8.540 -6.171 1.00 63.51 H new ATOM 0 HG11 VAL A 78 6.795 8.028 -6.934 1.00 31.54 H new ATOM 0 HG12 VAL A 78 7.961 8.012 -8.279 1.00 31.54 H new ATOM 0 HG13 VAL A 78 7.369 6.479 -7.597 1.00 31.54 H new ATOM 0 HG21 VAL A 78 7.510 7.398 -4.655 1.00 33.44 H new ATOM 0 HG22 VAL A 78 8.115 5.823 -5.223 1.00 33.44 H new ATOM 0 HG23 VAL A 78 9.196 6.926 -4.340 1.00 33.44 H new ATOM 1121 N LYS A 79 10.226 4.422 -6.399 1.00 35.10 N ATOM 1122 CA LYS A 79 9.959 2.993 -6.531 1.00 44.53 C ATOM 1123 C LYS A 79 9.917 2.321 -5.162 1.00 53.52 C ATOM 1124 O LYS A 79 10.444 2.849 -4.183 1.00 70.04 O ATOM 1125 CB LYS A 79 11.028 2.333 -7.403 1.00 33.34 C ATOM 1126 CG LYS A 79 12.373 2.187 -6.712 1.00 61.52 C ATOM 1127 CD LYS A 79 12.590 0.772 -6.203 1.00 13.52 C ATOM 1128 CE LYS A 79 14.055 0.371 -6.273 1.00 41.33 C ATOM 1129 NZ LYS A 79 14.924 1.317 -5.518 1.00 31.34 N ATOM 0 H LYS A 79 10.875 4.662 -5.650 1.00 35.10 H new ATOM 0 HA LYS A 79 8.986 2.871 -7.007 1.00 44.53 H new ATOM 0 HB2 LYS A 79 10.677 1.347 -7.709 1.00 33.34 H new ATOM 0 HB3 LYS A 79 11.158 2.921 -8.311 1.00 33.34 H new ATOM 0 HG2 LYS A 79 13.170 2.450 -7.407 1.00 61.52 H new ATOM 0 HG3 LYS A 79 12.432 2.887 -5.879 1.00 61.52 H new ATOM 0 HD2 LYS A 79 12.240 0.697 -5.173 1.00 13.52 H new ATOM 0 HD3 LYS A 79 11.993 0.077 -6.793 1.00 13.52 H new ATOM 0 HE2 LYS A 79 14.176 -0.635 -5.870 1.00 41.33 H new ATOM 0 HE3 LYS A 79 14.373 0.338 -7.315 1.00 41.33 H new ATOM 0 HZ1 LYS A 79 15.462 1.903 -6.187 1.00 31.34 H new ATOM 0 HZ2 LYS A 79 14.333 1.929 -4.919 1.00 31.34 H new ATOM 0 HZ3 LYS A 79 15.584 0.780 -4.920 1.00 31.34 H new ATOM 1139 N ILE A 80 9.287 1.152 -5.102 1.00 33.10 N ATOM 1140 CA ILE A 80 9.178 0.407 -3.854 1.00 63.00 C ATOM 1141 C ILE A 80 10.460 -0.367 -3.563 1.00 12.41 C ATOM 1142 O ILE A 80 10.983 -1.072 -4.427 1.00 44.34 O ATOM 1143 CB ILE A 80 7.994 -0.577 -3.888 1.00 3.40 C ATOM 1144 CG1 ILE A 80 6.672 0.186 -3.996 1.00 20.44 C ATOM 1145 CG2 ILE A 80 8.003 -1.459 -2.648 1.00 43.10 C ATOM 1146 CD1 ILE A 80 5.617 -0.545 -4.796 1.00 11.00 C ATOM 0 H ILE A 80 8.845 0.701 -5.903 1.00 33.10 H new ATOM 0 HA ILE A 80 9.010 1.138 -3.063 1.00 63.00 H new ATOM 0 HB ILE A 80 8.096 -1.216 -4.765 1.00 3.40 H new ATOM 0 HG12 ILE A 80 6.289 0.377 -2.994 1.00 20.44 H new ATOM 0 HG13 ILE A 80 6.858 1.156 -4.456 1.00 20.44 H new ATOM 0 HG21 ILE A 80 7.160 -2.149 -2.686 1.00 43.10 H new ATOM 0 HG22 ILE A 80 8.934 -2.025 -2.611 1.00 43.10 H new ATOM 0 HG23 ILE A 80 7.921 -0.836 -1.758 1.00 43.10 H new ATOM 0 HD11 ILE A 80 4.707 0.054 -4.831 1.00 11.00 H new ATOM 0 HD12 ILE A 80 5.980 -0.713 -5.810 1.00 11.00 H new ATOM 0 HD13 ILE A 80 5.402 -1.504 -4.324 1.00 11.00 H new ATOM 1157 N LYS A 81 10.961 -0.233 -2.339 1.00 52.15 N ATOM 1158 CA LYS A 81 12.179 -0.922 -1.931 1.00 52.15 C ATOM 1159 C LYS A 81 12.108 -2.406 -2.278 1.00 42.22 C ATOM 1160 O LYS A 81 13.099 -3.004 -2.693 1.00 61.43 O ATOM 1161 CB LYS A 81 12.408 -0.748 -0.428 1.00 12.24 C ATOM 1162 CG LYS A 81 13.527 -1.617 0.121 1.00 71.42 C ATOM 1163 CD LYS A 81 14.834 -1.373 -0.617 1.00 14.34 C ATOM 1164 CE LYS A 81 15.940 -2.285 -0.106 1.00 52.50 C ATOM 1165 NZ LYS A 81 16.083 -3.507 -0.945 1.00 12.45 N ATOM 0 H LYS A 81 10.541 0.347 -1.612 1.00 52.15 H new ATOM 0 HA LYS A 81 13.015 -0.481 -2.473 1.00 52.15 H new ATOM 0 HB2 LYS A 81 12.637 0.298 -0.222 1.00 12.24 H new ATOM 0 HB3 LYS A 81 11.484 -0.982 0.101 1.00 12.24 H new ATOM 0 HG2 LYS A 81 13.663 -1.410 1.182 1.00 71.42 H new ATOM 0 HG3 LYS A 81 13.249 -2.667 0.034 1.00 71.42 H new ATOM 0 HD2 LYS A 81 14.687 -1.539 -1.684 1.00 14.34 H new ATOM 0 HD3 LYS A 81 15.133 -0.332 -0.495 1.00 14.34 H new ATOM 0 HE2 LYS A 81 16.884 -1.740 -0.094 1.00 52.50 H new ATOM 0 HE3 LYS A 81 15.726 -2.574 0.923 1.00 52.50 H new ATOM 0 HZ1 LYS A 81 16.846 -4.102 -0.564 1.00 12.45 H new ATOM 0 HZ2 LYS A 81 15.190 -4.041 -0.936 1.00 12.45 H new ATOM 0 HZ3 LYS A 81 16.312 -3.233 -1.922 1.00 12.45 H new ATOM 1175 N GLY A 82 10.928 -2.993 -2.106 1.00 53.04 N ATOM 1176 CA GLY A 82 10.750 -4.401 -2.407 1.00 54.41 C ATOM 1177 C GLY A 82 10.274 -4.635 -3.827 1.00 35.23 C ATOM 1178 O GLY A 82 9.212 -5.220 -4.046 1.00 24.33 O ATOM 0 H GLY A 82 10.092 -2.519 -1.764 1.00 53.04 H new ATOM 0 HA2 GLY A 82 11.694 -4.924 -2.253 1.00 54.41 H new ATOM 0 HA3 GLY A 82 10.030 -4.830 -1.710 1.00 54.41 H new ATOM 1182 N CYS A 83 11.059 -4.176 -4.796 1.00 64.13 N ATOM 1183 CA CYS A 83 10.712 -4.336 -6.203 1.00 41.33 C ATOM 1184 C CYS A 83 11.503 -5.478 -6.832 1.00 51.01 C ATOM 1185 O CYS A 83 12.586 -5.842 -6.373 1.00 75.25 O ATOM 1186 CB CYS A 83 10.973 -3.036 -6.966 1.00 25.43 C ATOM 1187 SG CYS A 83 9.555 -1.918 -7.028 1.00 11.22 S ATOM 0 H CYS A 83 11.941 -3.690 -4.632 1.00 64.13 H new ATOM 0 HA CYS A 83 9.651 -4.577 -6.265 1.00 41.33 H new ATOM 0 HB2 CYS A 83 11.811 -2.517 -6.501 1.00 25.43 H new ATOM 0 HB3 CYS A 83 11.274 -3.280 -7.985 1.00 25.43 H new ATOM 0 HG CYS A 83 9.963 -0.714 -7.298 1.00 11.22 H new ATOM 1192 N PRO A 84 10.951 -6.059 -7.908 1.00 43.45 N ATOM 1193 CA PRO A 84 11.588 -7.169 -8.622 1.00 43.24 C ATOM 1194 C PRO A 84 12.837 -6.730 -9.379 1.00 12.24 C ATOM 1195 O PRO A 84 13.811 -7.477 -9.474 1.00 31.42 O ATOM 1196 CB PRO A 84 10.504 -7.629 -9.600 1.00 73.21 C ATOM 1197 CG PRO A 84 9.649 -6.428 -9.811 1.00 61.34 C ATOM 1198 CD PRO A 84 9.662 -5.676 -8.510 1.00 4.51 C ATOM 0 HA PRO A 84 11.928 -7.950 -7.942 1.00 43.24 H new ATOM 0 HB2 PRO A 84 10.938 -7.975 -10.538 1.00 73.21 H new ATOM 0 HB3 PRO A 84 9.927 -8.458 -9.190 1.00 73.21 H new ATOM 0 HG2 PRO A 84 10.036 -5.811 -10.622 1.00 61.34 H new ATOM 0 HG3 PRO A 84 8.634 -6.715 -10.086 1.00 61.34 H new ATOM 0 HD2 PRO A 84 9.596 -4.599 -8.667 1.00 4.51 H new ATOM 0 HD3 PRO A 84 8.822 -5.957 -7.875 1.00 4.51 H new ATOM 1203 N SER A 85 12.803 -5.514 -9.915 1.00 14.33 N ATOM 1204 CA SER A 85 13.931 -4.978 -10.666 1.00 34.40 C ATOM 1205 C SER A 85 14.157 -3.507 -10.332 1.00 41.00 C ATOM 1206 O SER A 85 15.040 -3.168 -9.545 1.00 40.32 O ATOM 1207 CB SER A 85 13.694 -5.141 -12.170 1.00 1.32 C ATOM 1208 OG SER A 85 12.335 -5.433 -12.442 1.00 33.32 O ATOM 0 H SER A 85 12.006 -4.882 -9.843 1.00 14.33 H new ATOM 0 HA SER A 85 14.822 -5.538 -10.383 1.00 34.40 H new ATOM 0 HB2 SER A 85 13.984 -4.227 -12.688 1.00 1.32 H new ATOM 0 HB3 SER A 85 14.326 -5.941 -12.557 1.00 1.32 H new ATOM 0 HG SER A 85 12.209 -5.531 -13.409 1.00 33.32 H new ATOM 1213 N GLU A 86 13.350 -2.639 -10.936 1.00 22.43 N ATOM 1214 CA GLU A 86 13.463 -1.203 -10.702 1.00 32.44 C ATOM 1215 C GLU A 86 12.552 -0.427 -11.648 1.00 53.52 C ATOM 1216 O GLU A 86 12.969 0.039 -12.708 1.00 74.12 O ATOM 1217 CB GLU A 86 14.912 -0.747 -10.882 1.00 1.24 C ATOM 1218 CG GLU A 86 15.615 -1.401 -12.060 1.00 11.43 C ATOM 1219 CD GLU A 86 16.601 -0.472 -12.740 1.00 43.30 C ATOM 1220 OE1 GLU A 86 17.432 0.133 -12.030 1.00 1.53 O ATOM 1221 OE2 GLU A 86 16.543 -0.348 -13.981 1.00 14.40 O ATOM 0 H GLU A 86 12.613 -2.904 -11.589 1.00 22.43 H new ATOM 0 HA GLU A 86 13.152 -1.001 -9.677 1.00 32.44 H new ATOM 0 HB2 GLU A 86 14.930 0.335 -11.014 1.00 1.24 H new ATOM 0 HB3 GLU A 86 15.469 -0.966 -9.971 1.00 1.24 H new ATOM 0 HG2 GLU A 86 16.139 -2.292 -11.716 1.00 11.43 H new ATOM 0 HG3 GLU A 86 14.871 -1.729 -12.786 1.00 11.43 H new ATOM 1226 N PRO A 87 11.277 -0.282 -11.256 1.00 21.00 N ATOM 1227 CA PRO A 87 10.280 0.437 -12.053 1.00 64.25 C ATOM 1228 C PRO A 87 10.542 1.939 -12.089 1.00 50.42 C ATOM 1229 O PRO A 87 10.569 2.550 -13.159 1.00 1.53 O ATOM 1230 CB PRO A 87 8.965 0.141 -11.328 1.00 20.32 C ATOM 1231 CG PRO A 87 9.364 -0.149 -9.923 1.00 43.22 C ATOM 1232 CD PRO A 87 10.711 -0.811 -10.003 1.00 0.11 C ATOM 0 HA PRO A 87 10.287 0.121 -13.096 1.00 64.25 H new ATOM 0 HB2 PRO A 87 8.285 0.991 -11.379 1.00 20.32 H new ATOM 0 HB3 PRO A 87 8.448 -0.708 -11.776 1.00 20.32 H new ATOM 0 HG2 PRO A 87 9.414 0.767 -9.335 1.00 43.22 H new ATOM 0 HG3 PRO A 87 8.637 -0.800 -9.438 1.00 43.22 H new ATOM 0 HD2 PRO A 87 11.333 -0.561 -9.144 1.00 0.11 H new ATOM 0 HD3 PRO A 87 10.624 -1.897 -10.028 1.00 0.11 H new ATOM 1237 N TYR A 88 10.733 2.531 -10.915 1.00 11.25 N ATOM 1238 CA TYR A 88 10.990 3.962 -10.812 1.00 11.24 C ATOM 1239 C TYR A 88 9.977 4.757 -11.630 1.00 3.43 C ATOM 1240 O TYR A 88 10.215 5.076 -12.794 1.00 35.33 O ATOM 1241 CB TYR A 88 12.409 4.282 -11.286 1.00 34.40 C ATOM 1242 CG TYR A 88 13.480 3.908 -10.287 1.00 24.23 C ATOM 1243 CD1 TYR A 88 13.963 2.607 -10.210 1.00 33.31 C ATOM 1244 CD2 TYR A 88 14.009 4.855 -9.419 1.00 35.15 C ATOM 1245 CE1 TYR A 88 14.941 2.260 -9.298 1.00 51.43 C ATOM 1246 CE2 TYR A 88 14.989 4.518 -8.504 1.00 35.35 C ATOM 1247 CZ TYR A 88 15.451 3.219 -8.448 1.00 63.12 C ATOM 1248 OH TYR A 88 16.426 2.879 -7.538 1.00 43.22 O ATOM 0 H TYR A 88 10.715 2.041 -10.021 1.00 11.25 H new ATOM 0 HA TYR A 88 10.890 4.249 -9.765 1.00 11.24 H new ATOM 0 HB2 TYR A 88 12.598 3.756 -12.222 1.00 34.40 H new ATOM 0 HB3 TYR A 88 12.480 5.349 -11.500 1.00 34.40 H new ATOM 0 HD1 TYR A 88 13.567 1.854 -10.875 1.00 33.31 H new ATOM 0 HD2 TYR A 88 13.648 5.872 -9.460 1.00 35.15 H new ATOM 0 HE1 TYR A 88 15.304 1.244 -9.251 1.00 51.43 H new ATOM 0 HE2 TYR A 88 15.390 5.267 -7.837 1.00 35.35 H new ATOM 0 HH TYR A 88 16.677 3.670 -7.016 1.00 43.22 H new ATOM 1257 N PHE A 89 8.846 5.076 -11.009 1.00 41.04 N ATOM 1258 CA PHE A 89 7.796 5.835 -11.677 1.00 14.43 C ATOM 1259 C PHE A 89 7.880 7.315 -11.317 1.00 12.34 C ATOM 1260 O PHE A 89 8.795 7.743 -10.615 1.00 11.40 O ATOM 1261 CB PHE A 89 6.420 5.284 -11.298 1.00 13.34 C ATOM 1262 CG PHE A 89 6.083 3.989 -11.982 1.00 24.14 C ATOM 1263 CD1 PHE A 89 5.991 3.922 -13.362 1.00 63.21 C ATOM 1264 CD2 PHE A 89 5.859 2.838 -11.243 1.00 21.31 C ATOM 1265 CE1 PHE A 89 5.683 2.732 -13.994 1.00 51.32 C ATOM 1266 CE2 PHE A 89 5.550 1.646 -11.869 1.00 34.34 C ATOM 1267 CZ PHE A 89 5.461 1.592 -13.247 1.00 52.43 C ATOM 0 H PHE A 89 8.634 4.821 -10.045 1.00 41.04 H new ATOM 0 HA PHE A 89 7.938 5.733 -12.753 1.00 14.43 H new ATOM 0 HB2 PHE A 89 6.381 5.136 -10.219 1.00 13.34 H new ATOM 0 HB3 PHE A 89 5.660 6.025 -11.546 1.00 13.34 H new ATOM 0 HD1 PHE A 89 6.162 4.810 -13.952 1.00 63.21 H new ATOM 0 HD2 PHE A 89 5.927 2.873 -10.166 1.00 21.31 H new ATOM 0 HE1 PHE A 89 5.616 2.694 -15.071 1.00 51.32 H new ATOM 0 HE2 PHE A 89 5.378 0.756 -11.281 1.00 34.34 H new ATOM 0 HZ PHE A 89 5.219 0.661 -13.738 1.00 52.43 H new ATOM 1276 N GLY A 90 6.917 8.093 -11.803 1.00 73.21 N ATOM 1277 CA GLY A 90 6.900 9.517 -11.524 1.00 5.14 C ATOM 1278 C GLY A 90 6.678 9.815 -10.054 1.00 52.40 C ATOM 1279 O GLY A 90 7.604 10.216 -9.348 1.00 54.41 O ATOM 0 H GLY A 90 6.148 7.762 -12.385 1.00 73.21 H new ATOM 0 HA2 GLY A 90 7.844 9.958 -11.843 1.00 5.14 H new ATOM 0 HA3 GLY A 90 6.113 9.990 -12.111 1.00 5.14 H new ATOM 1283 N SER A 91 5.447 9.622 -9.592 1.00 0.24 N ATOM 1284 CA SER A 91 5.105 9.878 -8.197 1.00 52.41 C ATOM 1285 C SER A 91 4.316 8.713 -7.607 1.00 71.34 C ATOM 1286 O SER A 91 3.943 7.778 -8.318 1.00 71.22 O ATOM 1287 CB SER A 91 4.294 11.170 -8.079 1.00 50.31 C ATOM 1288 OG SER A 91 4.949 12.109 -7.243 1.00 14.30 O ATOM 0 H SER A 91 4.670 9.289 -10.163 1.00 0.24 H new ATOM 0 HA SER A 91 6.033 9.986 -7.635 1.00 52.41 H new ATOM 0 HB2 SER A 91 4.145 11.601 -9.069 1.00 50.31 H new ATOM 0 HB3 SER A 91 3.306 10.947 -7.677 1.00 50.31 H new ATOM 0 HG SER A 91 4.411 12.926 -7.185 1.00 14.30 H new ATOM 1293 N LEU A 92 4.065 8.777 -6.306 1.00 12.45 N ATOM 1294 CA LEU A 92 3.319 7.728 -5.618 1.00 22.14 C ATOM 1295 C LEU A 92 1.982 7.470 -6.305 1.00 52.42 C ATOM 1296 O LEU A 92 1.534 6.328 -6.406 1.00 62.51 O ATOM 1297 CB LEU A 92 3.089 8.113 -4.155 1.00 34.22 C ATOM 1298 CG LEU A 92 4.185 7.699 -3.173 1.00 41.41 C ATOM 1299 CD1 LEU A 92 4.024 8.437 -1.852 1.00 34.12 C ATOM 1300 CD2 LEU A 92 4.162 6.194 -2.950 1.00 73.52 C ATOM 0 H LEU A 92 4.366 9.544 -5.705 1.00 12.45 H new ATOM 0 HA LEU A 92 3.909 6.812 -5.657 1.00 22.14 H new ATOM 0 HB2 LEU A 92 2.969 9.195 -4.099 1.00 34.22 H new ATOM 0 HB3 LEU A 92 2.149 7.670 -3.827 1.00 34.22 H new ATOM 0 HG LEU A 92 5.150 7.968 -3.602 1.00 41.41 H new ATOM 0 HD11 LEU A 92 4.813 8.130 -1.165 1.00 34.12 H new ATOM 0 HD12 LEU A 92 4.091 9.511 -2.025 1.00 34.12 H new ATOM 0 HD13 LEU A 92 3.053 8.199 -1.419 1.00 34.12 H new ATOM 0 HD21 LEU A 92 4.949 5.918 -2.248 1.00 73.52 H new ATOM 0 HD22 LEU A 92 3.194 5.901 -2.543 1.00 73.52 H new ATOM 0 HD23 LEU A 92 4.326 5.683 -3.899 1.00 73.52 H new ATOM 1311 N SER A 93 1.349 8.540 -6.776 1.00 20.11 N ATOM 1312 CA SER A 93 0.062 8.431 -7.451 1.00 55.13 C ATOM 1313 C SER A 93 0.220 7.769 -8.818 1.00 1.41 C ATOM 1314 O SER A 93 -0.658 7.033 -9.268 1.00 42.14 O ATOM 1315 CB SER A 93 -0.572 9.814 -7.612 1.00 54.23 C ATOM 1316 OG SER A 93 -1.451 10.101 -6.538 1.00 24.34 O ATOM 0 H SER A 93 1.707 9.492 -6.702 1.00 20.11 H new ATOM 0 HA SER A 93 -0.591 7.809 -6.838 1.00 55.13 H new ATOM 0 HB2 SER A 93 0.210 10.572 -7.659 1.00 54.23 H new ATOM 0 HB3 SER A 93 -1.118 9.860 -8.555 1.00 54.23 H new ATOM 0 HG SER A 93 -1.842 10.991 -6.664 1.00 24.34 H new ATOM 1321 N ALA A 94 1.345 8.037 -9.471 1.00 44.04 N ATOM 1322 CA ALA A 94 1.619 7.468 -10.784 1.00 25.40 C ATOM 1323 C ALA A 94 1.800 5.956 -10.700 1.00 23.12 C ATOM 1324 O ALA A 94 1.251 5.208 -11.510 1.00 41.44 O ATOM 1325 CB ALA A 94 2.856 8.115 -11.392 1.00 15.13 C ATOM 0 H ALA A 94 2.082 8.645 -9.112 1.00 44.04 H new ATOM 0 HA ALA A 94 0.762 7.671 -11.426 1.00 25.40 H new ATOM 0 HB1 ALA A 94 3.049 7.680 -12.373 1.00 15.13 H new ATOM 0 HB2 ALA A 94 2.692 9.187 -11.496 1.00 15.13 H new ATOM 0 HB3 ALA A 94 3.714 7.941 -10.743 1.00 15.13 H new ATOM 1331 N LEU A 95 2.572 5.511 -9.715 1.00 4.32 N ATOM 1332 CA LEU A 95 2.825 4.087 -9.525 1.00 21.21 C ATOM 1333 C LEU A 95 1.587 3.381 -8.980 1.00 72.34 C ATOM 1334 O LEU A 95 1.350 2.209 -9.270 1.00 31.32 O ATOM 1335 CB LEU A 95 4.004 3.881 -8.571 1.00 13.40 C ATOM 1336 CG LEU A 95 3.924 4.622 -7.235 1.00 73.24 C ATOM 1337 CD1 LEU A 95 3.147 3.804 -6.216 1.00 33.42 C ATOM 1338 CD2 LEU A 95 5.320 4.938 -6.717 1.00 74.02 C ATOM 0 H LEU A 95 3.034 6.116 -9.035 1.00 4.32 H new ATOM 0 HA LEU A 95 3.070 3.655 -10.495 1.00 21.21 H new ATOM 0 HB2 LEU A 95 4.098 2.814 -8.367 1.00 13.40 H new ATOM 0 HB3 LEU A 95 4.916 4.190 -9.081 1.00 13.40 H new ATOM 0 HG LEU A 95 3.395 5.562 -7.393 1.00 73.24 H new ATOM 0 HD11 LEU A 95 3.101 4.347 -5.272 1.00 33.42 H new ATOM 0 HD12 LEU A 95 2.136 3.630 -6.584 1.00 33.42 H new ATOM 0 HD13 LEU A 95 3.646 2.848 -6.060 1.00 33.42 H new ATOM 0 HD21 LEU A 95 5.245 5.465 -5.766 1.00 74.02 H new ATOM 0 HD22 LEU A 95 5.874 4.010 -6.575 1.00 74.02 H new ATOM 0 HD23 LEU A 95 5.843 5.565 -7.439 1.00 74.02 H new ATOM 1349 N VAL A 96 0.799 4.105 -8.192 1.00 45.12 N ATOM 1350 CA VAL A 96 -0.417 3.550 -7.609 1.00 55.25 C ATOM 1351 C VAL A 96 -1.477 3.309 -8.678 1.00 54.30 C ATOM 1352 O VAL A 96 -2.155 2.282 -8.674 1.00 21.00 O ATOM 1353 CB VAL A 96 -0.997 4.481 -6.527 1.00 22.41 C ATOM 1354 CG1 VAL A 96 -2.490 4.244 -6.363 1.00 74.23 C ATOM 1355 CG2 VAL A 96 -0.268 4.279 -5.207 1.00 52.24 C ATOM 0 H VAL A 96 0.981 5.077 -7.943 1.00 45.12 H new ATOM 0 HA VAL A 96 -0.144 2.600 -7.151 1.00 55.25 H new ATOM 0 HB VAL A 96 -0.851 5.514 -6.843 1.00 22.41 H new ATOM 0 HG11 VAL A 96 -2.882 4.910 -5.595 1.00 74.23 H new ATOM 0 HG12 VAL A 96 -2.996 4.442 -7.308 1.00 74.23 H new ATOM 0 HG13 VAL A 96 -2.664 3.209 -6.069 1.00 74.23 H new ATOM 0 HG21 VAL A 96 -0.689 4.944 -4.453 1.00 52.24 H new ATOM 0 HG22 VAL A 96 -0.382 3.245 -4.883 1.00 52.24 H new ATOM 0 HG23 VAL A 96 0.791 4.504 -5.338 1.00 52.24 H new ATOM 1365 N SER A 97 -1.615 4.263 -9.593 1.00 40.40 N ATOM 1366 CA SER A 97 -2.595 4.156 -10.667 1.00 42.35 C ATOM 1367 C SER A 97 -2.163 3.116 -11.696 1.00 14.22 C ATOM 1368 O SER A 97 -2.984 2.351 -12.200 1.00 34.34 O ATOM 1369 CB SER A 97 -2.787 5.514 -11.347 1.00 74.01 C ATOM 1370 OG SER A 97 -3.411 6.439 -10.474 1.00 32.24 O ATOM 0 H SER A 97 -1.060 5.119 -9.612 1.00 40.40 H new ATOM 0 HA SER A 97 -3.542 3.838 -10.231 1.00 42.35 H new ATOM 0 HB2 SER A 97 -1.820 5.905 -11.665 1.00 74.01 H new ATOM 0 HB3 SER A 97 -3.392 5.392 -12.245 1.00 74.01 H new ATOM 0 HG SER A 97 -2.736 6.847 -9.892 1.00 32.24 H new ATOM 1375 N GLN A 98 -0.871 3.096 -12.001 1.00 25.43 N ATOM 1376 CA GLN A 98 -0.329 2.150 -12.969 1.00 73.13 C ATOM 1377 C GLN A 98 -0.339 0.732 -12.409 1.00 71.51 C ATOM 1378 O GLN A 98 -0.464 -0.240 -13.155 1.00 14.42 O ATOM 1379 CB GLN A 98 1.095 2.547 -13.360 1.00 63.52 C ATOM 1380 CG GLN A 98 1.173 3.854 -14.133 1.00 10.23 C ATOM 1381 CD GLN A 98 1.098 3.650 -15.633 1.00 33.44 C ATOM 1382 OE1 GLN A 98 0.667 2.598 -16.107 1.00 61.54 O ATOM 1383 NE2 GLN A 98 1.518 4.657 -16.389 1.00 73.30 N ATOM 0 H GLN A 98 -0.179 3.724 -11.592 1.00 25.43 H new ATOM 0 HA GLN A 98 -0.962 2.175 -13.856 1.00 73.13 H new ATOM 0 HB2 GLN A 98 1.700 2.632 -12.457 1.00 63.52 H new ATOM 0 HB3 GLN A 98 1.532 1.751 -13.963 1.00 63.52 H new ATOM 0 HG2 GLN A 98 0.359 4.507 -13.818 1.00 10.23 H new ATOM 0 HG3 GLN A 98 2.104 4.363 -13.885 1.00 10.23 H new ATOM 0 HE21 GLN A 98 1.867 5.511 -15.953 1.00 73.30 H new ATOM 0 HE22 GLN A 98 1.491 4.577 -17.406 1.00 73.30 H new ATOM 1390 N HIS A 99 -0.205 0.620 -11.091 1.00 30.42 N ATOM 1391 CA HIS A 99 -0.199 -0.681 -10.431 1.00 51.24 C ATOM 1392 C HIS A 99 -1.584 -1.320 -10.477 1.00 61.44 C ATOM 1393 O HIS A 99 -1.746 -2.495 -10.149 1.00 15.51 O ATOM 1394 CB HIS A 99 0.261 -0.537 -8.981 1.00 4.14 C ATOM 1395 CG HIS A 99 1.748 -0.611 -8.814 1.00 3.45 C ATOM 1396 ND1 HIS A 99 2.398 -0.197 -7.671 1.00 3.33 N ATOM 1397 CD2 HIS A 99 2.712 -1.056 -9.653 1.00 24.24 C ATOM 1398 CE1 HIS A 99 3.699 -0.383 -7.815 1.00 13.51 C ATOM 1399 NE2 HIS A 99 3.916 -0.903 -9.009 1.00 14.20 N ATOM 0 H HIS A 99 -0.099 1.414 -10.459 1.00 30.42 H new ATOM 0 HA HIS A 99 0.498 -1.328 -10.963 1.00 51.24 H new ATOM 0 HB2 HIS A 99 -0.093 0.416 -8.589 1.00 4.14 H new ATOM 0 HB3 HIS A 99 -0.203 -1.320 -8.382 1.00 4.14 H new ATOM 0 HD2 HIS A 99 2.563 -1.457 -10.645 1.00 24.24 H new ATOM 0 HE1 HIS A 99 4.456 -0.149 -7.081 1.00 13.51 H new ATOM 0 HE2 HIS A 99 4.829 -1.151 -9.391 1.00 14.20 H new ATOM 1406 N SER A 100 -2.578 -0.539 -10.886 1.00 61.05 N ATOM 1407 CA SER A 100 -3.949 -1.027 -10.971 1.00 40.03 C ATOM 1408 C SER A 100 -4.224 -1.638 -12.341 1.00 54.11 C ATOM 1409 O SER A 100 -5.297 -2.194 -12.580 1.00 20.42 O ATOM 1410 CB SER A 100 -4.935 0.110 -10.700 1.00 42.32 C ATOM 1411 OG SER A 100 -5.377 0.702 -11.909 1.00 40.12 O ATOM 0 H SER A 100 -2.459 0.435 -11.164 1.00 61.05 H new ATOM 0 HA SER A 100 -4.081 -1.801 -10.214 1.00 40.03 H new ATOM 0 HB2 SER A 100 -5.791 -0.272 -10.144 1.00 42.32 H new ATOM 0 HB3 SER A 100 -4.460 0.866 -10.074 1.00 42.32 H new ATOM 0 HG SER A 100 -4.702 1.337 -12.228 1.00 40.12 H new ATOM 1416 N ILE A 101 -3.249 -1.530 -13.237 1.00 24.54 N ATOM 1417 CA ILE A 101 -3.385 -2.073 -14.583 1.00 12.35 C ATOM 1418 C ILE A 101 -2.204 -2.971 -14.936 1.00 21.41 C ATOM 1419 O ILE A 101 -2.368 -4.005 -15.581 1.00 74.10 O ATOM 1420 CB ILE A 101 -3.495 -0.952 -15.633 1.00 51.02 C ATOM 1421 CG1 ILE A 101 -4.664 -0.024 -15.299 1.00 40.41 C ATOM 1422 CG2 ILE A 101 -3.663 -1.545 -17.024 1.00 72.55 C ATOM 1423 CD1 ILE A 101 -4.282 1.439 -15.258 1.00 63.33 C ATOM 0 H ILE A 101 -2.356 -1.071 -13.055 1.00 24.54 H new ATOM 0 HA ILE A 101 -4.302 -2.662 -14.595 1.00 12.35 H new ATOM 0 HB ILE A 101 -2.575 -0.367 -15.617 1.00 51.02 H new ATOM 0 HG12 ILE A 101 -5.452 -0.165 -16.039 1.00 40.41 H new ATOM 0 HG13 ILE A 101 -5.080 -0.310 -14.333 1.00 40.41 H new ATOM 0 HG21 ILE A 101 -3.739 -0.741 -17.756 1.00 72.55 H new ATOM 0 HG22 ILE A 101 -2.801 -2.169 -17.260 1.00 72.55 H new ATOM 0 HG23 ILE A 101 -4.569 -2.150 -17.054 1.00 72.55 H new ATOM 0 HD11 ILE A 101 -5.160 2.038 -15.016 1.00 63.33 H new ATOM 0 HD12 ILE A 101 -3.516 1.594 -14.498 1.00 63.33 H new ATOM 0 HD13 ILE A 101 -3.894 1.741 -16.231 1.00 63.33 H new ATOM 1434 N SER A 102 -1.012 -2.568 -14.506 1.00 42.40 N ATOM 1435 CA SER A 102 0.198 -3.335 -14.777 1.00 33.42 C ATOM 1436 C SER A 102 1.128 -3.329 -13.568 1.00 3.20 C ATOM 1437 O SER A 102 2.141 -2.630 -13.535 1.00 34.32 O ATOM 1438 CB SER A 102 0.924 -2.765 -15.997 1.00 22.30 C ATOM 1439 OG SER A 102 0.565 -3.463 -17.177 1.00 63.13 O ATOM 0 H SER A 102 -0.859 -1.715 -13.969 1.00 42.40 H new ATOM 0 HA SER A 102 -0.092 -4.365 -14.984 1.00 33.42 H new ATOM 0 HB2 SER A 102 0.681 -1.708 -16.108 1.00 22.30 H new ATOM 0 HB3 SER A 102 2.002 -2.830 -15.846 1.00 22.30 H new ATOM 0 HG SER A 102 1.041 -3.078 -17.942 1.00 63.13 H new ATOM 1444 N PRO A 103 0.777 -4.128 -12.549 1.00 53.25 N ATOM 1445 CA PRO A 103 1.566 -4.233 -11.319 1.00 1.34 C ATOM 1446 C PRO A 103 2.898 -4.942 -11.543 1.00 51.11 C ATOM 1447 O PRO A 103 2.949 -6.001 -12.168 1.00 23.21 O ATOM 1448 CB PRO A 103 0.670 -5.059 -10.392 1.00 32.14 C ATOM 1449 CG PRO A 103 -0.194 -5.853 -11.310 1.00 60.53 C ATOM 1450 CD PRO A 103 -0.418 -4.988 -12.520 1.00 0.40 C ATOM 0 HA PRO A 103 1.829 -3.254 -10.919 1.00 1.34 H new ATOM 0 HB2 PRO A 103 1.261 -5.707 -9.745 1.00 32.14 H new ATOM 0 HB3 PRO A 103 0.074 -4.418 -9.743 1.00 32.14 H new ATOM 0 HG2 PRO A 103 0.288 -6.791 -11.585 1.00 60.53 H new ATOM 0 HG3 PRO A 103 -1.140 -6.108 -10.832 1.00 60.53 H new ATOM 0 HD2 PRO A 103 -0.507 -5.583 -13.429 1.00 0.40 H new ATOM 0 HD3 PRO A 103 -1.333 -4.402 -12.432 1.00 0.40 H new ATOM 1455 N ILE A 104 3.971 -4.351 -11.029 1.00 21.32 N ATOM 1456 CA ILE A 104 5.302 -4.927 -11.173 1.00 13.24 C ATOM 1457 C ILE A 104 5.734 -5.639 -9.894 1.00 51.44 C ATOM 1458 O ILE A 104 5.993 -6.842 -9.899 1.00 13.41 O ATOM 1459 CB ILE A 104 6.346 -3.852 -11.526 1.00 2.41 C ATOM 1460 CG1 ILE A 104 5.913 -3.081 -12.774 1.00 21.30 C ATOM 1461 CG2 ILE A 104 7.712 -4.488 -11.737 1.00 33.43 C ATOM 1462 CD1 ILE A 104 5.996 -1.578 -12.616 1.00 14.45 C ATOM 0 H ILE A 104 3.945 -3.474 -10.509 1.00 21.32 H new ATOM 0 HA ILE A 104 5.247 -5.649 -11.988 1.00 13.24 H new ATOM 0 HB ILE A 104 6.419 -3.151 -10.695 1.00 2.41 H new ATOM 0 HG12 ILE A 104 6.538 -3.385 -13.614 1.00 21.30 H new ATOM 0 HG13 ILE A 104 4.888 -3.356 -13.023 1.00 21.30 H new ATOM 0 HG21 ILE A 104 8.439 -3.715 -11.986 1.00 33.43 H new ATOM 0 HG22 ILE A 104 8.021 -4.997 -10.824 1.00 33.43 H new ATOM 0 HG23 ILE A 104 7.656 -5.209 -12.553 1.00 33.43 H new ATOM 0 HD11 ILE A 104 5.674 -1.097 -13.539 1.00 14.45 H new ATOM 0 HD12 ILE A 104 5.349 -1.262 -11.798 1.00 14.45 H new ATOM 0 HD13 ILE A 104 7.025 -1.291 -12.397 1.00 14.45 H new ATOM 1473 N SER A 105 5.808 -4.886 -8.801 1.00 51.03 N ATOM 1474 CA SER A 105 6.210 -5.444 -7.515 1.00 42.21 C ATOM 1475 C SER A 105 4.990 -5.769 -6.658 1.00 65.32 C ATOM 1476 O SER A 105 5.034 -5.669 -5.431 1.00 61.42 O ATOM 1477 CB SER A 105 7.122 -4.465 -6.774 1.00 50.32 C ATOM 1478 OG SER A 105 6.387 -3.360 -6.276 1.00 71.31 O ATOM 0 H SER A 105 5.595 -3.889 -8.780 1.00 51.03 H new ATOM 0 HA SER A 105 6.757 -6.368 -7.703 1.00 42.21 H new ATOM 0 HB2 SER A 105 7.617 -4.978 -5.949 1.00 50.32 H new ATOM 0 HB3 SER A 105 7.904 -4.112 -7.446 1.00 50.32 H new ATOM 0 HG SER A 105 7.007 -2.676 -5.948 1.00 71.31 H new ATOM 1483 N LEU A 106 3.902 -6.158 -7.313 1.00 74.43 N ATOM 1484 CA LEU A 106 2.669 -6.498 -6.613 1.00 12.21 C ATOM 1485 C LEU A 106 2.099 -7.817 -7.123 1.00 31.30 C ATOM 1486 O LEU A 106 2.337 -8.227 -8.260 1.00 43.15 O ATOM 1487 CB LEU A 106 1.636 -5.383 -6.787 1.00 24.22 C ATOM 1488 CG LEU A 106 1.989 -4.037 -6.153 1.00 61.34 C ATOM 1489 CD1 LEU A 106 1.022 -2.958 -6.617 1.00 74.45 C ATOM 1490 CD2 LEU A 106 1.984 -4.143 -4.635 1.00 71.23 C ATOM 0 H LEU A 106 3.849 -6.246 -8.328 1.00 74.43 H new ATOM 0 HA LEU A 106 2.901 -6.609 -5.554 1.00 12.21 H new ATOM 0 HB2 LEU A 106 1.474 -5.228 -7.854 1.00 24.22 H new ATOM 0 HB3 LEU A 106 0.689 -5.723 -6.367 1.00 24.22 H new ATOM 0 HG LEU A 106 2.993 -3.759 -6.474 1.00 61.34 H new ATOM 0 HD11 LEU A 106 1.289 -2.007 -6.155 1.00 74.45 H new ATOM 0 HD12 LEU A 106 1.076 -2.863 -7.701 1.00 74.45 H new ATOM 0 HD13 LEU A 106 0.007 -3.230 -6.327 1.00 74.45 H new ATOM 0 HD21 LEU A 106 2.237 -3.175 -4.202 1.00 71.23 H new ATOM 0 HD22 LEU A 106 0.993 -4.445 -4.295 1.00 71.23 H new ATOM 0 HD23 LEU A 106 2.718 -4.885 -4.320 1.00 71.23 H new ATOM 1501 N PRO A 107 1.326 -8.501 -6.266 1.00 42.13 N ATOM 1502 CA PRO A 107 0.704 -9.783 -6.608 1.00 65.13 C ATOM 1503 C PRO A 107 -0.407 -9.630 -7.640 1.00 55.34 C ATOM 1504 O PRO A 107 -0.450 -10.358 -8.633 1.00 50.34 O ATOM 1505 CB PRO A 107 0.132 -10.267 -5.274 1.00 32.21 C ATOM 1506 CG PRO A 107 -0.088 -9.025 -4.483 1.00 42.53 C ATOM 1507 CD PRO A 107 1.000 -8.072 -4.895 1.00 31.44 C ATOM 0 HA PRO A 107 1.416 -10.475 -7.058 1.00 65.13 H new ATOM 0 HB2 PRO A 107 -0.799 -10.815 -5.418 1.00 32.21 H new ATOM 0 HB3 PRO A 107 0.823 -10.941 -4.768 1.00 32.21 H new ATOM 0 HG2 PRO A 107 -1.073 -8.603 -4.685 1.00 42.53 H new ATOM 0 HG3 PRO A 107 -0.042 -9.230 -3.414 1.00 42.53 H new ATOM 0 HD2 PRO A 107 0.659 -7.037 -4.868 1.00 31.44 H new ATOM 0 HD3 PRO A 107 1.865 -8.140 -4.236 1.00 31.44 H new ATOM 1512 N CYS A 108 -1.305 -8.680 -7.400 1.00 62.11 N ATOM 1513 CA CYS A 108 -2.419 -8.432 -8.310 1.00 25.54 C ATOM 1514 C CYS A 108 -2.669 -6.936 -8.467 1.00 11.01 C ATOM 1515 O CYS A 108 -2.382 -6.150 -7.563 1.00 31.11 O ATOM 1516 CB CYS A 108 -3.683 -9.124 -7.801 1.00 41.34 C ATOM 1517 SG CYS A 108 -4.872 -9.538 -9.099 1.00 44.42 S ATOM 0 H CYS A 108 -1.284 -8.069 -6.583 1.00 62.11 H new ATOM 0 HA CYS A 108 -2.159 -8.842 -9.286 1.00 25.54 H new ATOM 0 HB2 CYS A 108 -3.399 -10.038 -7.279 1.00 41.34 H new ATOM 0 HB3 CYS A 108 -4.169 -8.477 -7.071 1.00 41.34 H new ATOM 0 HG CYS A 108 -5.906 -10.122 -8.570 1.00 44.42 H new ATOM 1522 N CYS A 109 -3.206 -6.549 -9.619 1.00 21.35 N ATOM 1523 CA CYS A 109 -3.493 -5.146 -9.896 1.00 5.44 C ATOM 1524 C CYS A 109 -4.329 -4.532 -8.777 1.00 22.42 C ATOM 1525 O CYS A 109 -5.310 -5.123 -8.324 1.00 2.11 O ATOM 1526 CB CYS A 109 -4.226 -5.007 -11.231 1.00 23.34 C ATOM 1527 SG CYS A 109 -5.829 -5.843 -11.283 1.00 12.14 S ATOM 0 H CYS A 109 -3.451 -7.187 -10.376 1.00 21.35 H new ATOM 0 HA CYS A 109 -2.545 -4.611 -9.953 1.00 5.44 H new ATOM 0 HB2 CYS A 109 -4.373 -3.948 -11.444 1.00 23.34 H new ATOM 0 HB3 CYS A 109 -3.594 -5.407 -12.024 1.00 23.34 H new ATOM 0 HG CYS A 109 -6.320 -5.916 -10.081 1.00 12.14 H new ATOM 1532 N LEU A 110 -3.932 -3.344 -8.334 1.00 54.12 N ATOM 1533 CA LEU A 110 -4.643 -2.649 -7.266 1.00 31.34 C ATOM 1534 C LEU A 110 -6.058 -2.282 -7.703 1.00 63.53 C ATOM 1535 O LEU A 110 -6.326 -2.114 -8.893 1.00 52.11 O ATOM 1536 CB LEU A 110 -3.881 -1.388 -6.855 1.00 51.13 C ATOM 1537 CG LEU A 110 -4.555 -0.510 -5.800 1.00 25.42 C ATOM 1538 CD1 LEU A 110 -3.511 0.200 -4.951 1.00 53.22 C ATOM 1539 CD2 LEU A 110 -5.484 0.497 -6.460 1.00 52.32 C ATOM 0 H LEU A 110 -3.122 -2.842 -8.698 1.00 54.12 H new ATOM 0 HA LEU A 110 -4.709 -3.321 -6.410 1.00 31.34 H new ATOM 0 HB2 LEU A 110 -2.902 -1.686 -6.479 1.00 51.13 H new ATOM 0 HB3 LEU A 110 -3.710 -0.784 -7.746 1.00 51.13 H new ATOM 0 HG LEU A 110 -5.150 -1.149 -5.148 1.00 25.42 H new ATOM 0 HD11 LEU A 110 -4.009 0.820 -4.206 1.00 53.22 H new ATOM 0 HD12 LEU A 110 -2.886 -0.539 -4.449 1.00 53.22 H new ATOM 0 HD13 LEU A 110 -2.889 0.828 -5.589 1.00 53.22 H new ATOM 0 HD21 LEU A 110 -5.955 1.113 -5.694 1.00 52.32 H new ATOM 0 HD22 LEU A 110 -4.911 1.132 -7.136 1.00 52.32 H new ATOM 0 HD23 LEU A 110 -6.253 -0.032 -7.024 1.00 52.32 H new ATOM 1550 N ARG A 111 -6.958 -2.157 -6.734 1.00 44.43 N ATOM 1551 CA ARG A 111 -8.344 -1.808 -7.019 1.00 3.34 C ATOM 1552 C ARG A 111 -8.711 -0.472 -6.379 1.00 32.12 C ATOM 1553 O ARG A 111 -8.626 -0.312 -5.161 1.00 63.22 O ATOM 1554 CB ARG A 111 -9.282 -2.904 -6.509 1.00 75.12 C ATOM 1555 CG ARG A 111 -10.449 -3.188 -7.441 1.00 34.43 C ATOM 1556 CD ARG A 111 -9.980 -3.817 -8.744 1.00 42.24 C ATOM 1557 NE ARG A 111 -10.789 -3.387 -9.882 1.00 62.22 N ATOM 1558 CZ ARG A 111 -12.052 -3.756 -10.066 1.00 43.32 C ATOM 1559 NH1 ARG A 111 -12.647 -4.556 -9.192 1.00 21.40 N ATOM 1560 NH2 ARG A 111 -12.722 -3.323 -11.126 1.00 52.44 N ATOM 0 H ARG A 111 -6.752 -2.292 -5.744 1.00 44.43 H new ATOM 0 HA ARG A 111 -8.455 -1.716 -8.099 1.00 3.34 H new ATOM 0 HB2 ARG A 111 -8.711 -3.821 -6.365 1.00 75.12 H new ATOM 0 HB3 ARG A 111 -9.670 -2.613 -5.533 1.00 75.12 H new ATOM 0 HG2 ARG A 111 -11.156 -3.855 -6.948 1.00 34.43 H new ATOM 0 HG3 ARG A 111 -10.980 -2.260 -7.654 1.00 34.43 H new ATOM 0 HD2 ARG A 111 -8.937 -3.552 -8.920 1.00 42.24 H new ATOM 0 HD3 ARG A 111 -10.023 -4.903 -8.658 1.00 42.24 H new ATOM 0 HE ARG A 111 -10.361 -2.770 -10.573 1.00 62.22 H new ATOM 0 HH11 ARG A 111 -12.135 -4.890 -8.375 1.00 21.40 H new ATOM 0 HH12 ARG A 111 -13.617 -4.837 -9.336 1.00 21.40 H new ATOM 0 HH21 ARG A 111 -12.267 -2.707 -11.800 1.00 52.44 H new ATOM 0 HH22 ARG A 111 -13.692 -3.606 -11.267 1.00 52.44 H new ATOM 1571 N ILE A 112 -9.119 0.483 -7.209 1.00 33.05 N ATOM 1572 CA ILE A 112 -9.499 1.803 -6.723 1.00 73.45 C ATOM 1573 C ILE A 112 -10.983 1.857 -6.381 1.00 12.33 C ATOM 1574 O ILE A 112 -11.840 1.412 -7.146 1.00 50.12 O ATOM 1575 CB ILE A 112 -9.184 2.896 -7.763 1.00 72.10 C ATOM 1576 CG1 ILE A 112 -7.703 2.859 -8.141 1.00 23.22 C ATOM 1577 CG2 ILE A 112 -9.565 4.267 -7.222 1.00 21.32 C ATOM 1578 CD1 ILE A 112 -7.461 2.660 -9.621 1.00 63.13 C ATOM 0 H ILE A 112 -9.195 0.367 -8.220 1.00 33.05 H new ATOM 0 HA ILE A 112 -8.914 1.988 -5.822 1.00 73.45 H new ATOM 0 HB ILE A 112 -9.773 2.704 -8.660 1.00 72.10 H new ATOM 0 HG12 ILE A 112 -7.233 3.791 -7.826 1.00 23.22 H new ATOM 0 HG13 ILE A 112 -7.216 2.054 -7.590 1.00 23.22 H new ATOM 0 HG21 ILE A 112 -9.337 5.029 -7.968 1.00 21.32 H new ATOM 0 HG22 ILE A 112 -10.632 4.286 -6.998 1.00 21.32 H new ATOM 0 HG23 ILE A 112 -9.000 4.469 -6.312 1.00 21.32 H new ATOM 0 HD11 ILE A 112 -6.389 2.644 -9.815 1.00 63.13 H new ATOM 0 HD12 ILE A 112 -7.901 1.715 -9.938 1.00 63.13 H new ATOM 0 HD13 ILE A 112 -7.918 3.478 -10.178 1.00 63.13 H new ATOM 1589 N PRO A 113 -11.298 2.415 -5.203 1.00 42.43 N ATOM 1590 CA PRO A 113 -12.681 2.542 -4.731 1.00 42.03 C ATOM 1591 C PRO A 113 -13.477 3.563 -5.538 1.00 11.32 C ATOM 1592 O PRO A 113 -14.615 3.305 -5.932 1.00 61.52 O ATOM 1593 CB PRO A 113 -12.520 3.014 -3.284 1.00 12.51 C ATOM 1594 CG PRO A 113 -11.196 3.697 -3.253 1.00 51.45 C ATOM 1595 CD PRO A 113 -10.330 2.965 -4.240 1.00 64.23 C ATOM 0 HA PRO A 113 -13.233 1.607 -4.830 1.00 42.03 H new ATOM 0 HB2 PRO A 113 -13.323 3.694 -2.998 1.00 12.51 H new ATOM 0 HB3 PRO A 113 -12.549 2.175 -2.588 1.00 12.51 H new ATOM 0 HG2 PRO A 113 -11.293 4.749 -3.523 1.00 51.45 H new ATOM 0 HG3 PRO A 113 -10.763 3.663 -2.253 1.00 51.45 H new ATOM 0 HD2 PRO A 113 -9.618 3.634 -4.724 1.00 64.23 H new ATOM 0 HD3 PRO A 113 -9.750 2.177 -3.759 1.00 64.23 H new ATOM 1600 N SER A 114 -12.872 4.721 -5.781 1.00 30.50 N ATOM 1601 CA SER A 114 -13.526 5.780 -6.539 1.00 50.32 C ATOM 1602 C SER A 114 -13.874 5.306 -7.947 1.00 42.42 C ATOM 1603 O SER A 114 -14.740 5.877 -8.611 1.00 13.34 O ATOM 1604 CB SER A 114 -12.625 7.015 -6.614 1.00 4.54 C ATOM 1605 OG SER A 114 -11.305 6.708 -6.198 1.00 61.02 O ATOM 0 H SER A 114 -11.930 4.949 -5.464 1.00 30.50 H new ATOM 0 HA SER A 114 -14.450 6.043 -6.024 1.00 50.32 H new ATOM 0 HB2 SER A 114 -12.609 7.396 -7.635 1.00 4.54 H new ATOM 0 HB3 SER A 114 -13.033 7.806 -5.985 1.00 4.54 H new ATOM 0 HG SER A 114 -11.257 6.731 -5.219 1.00 61.02 H new ATOM 1610 N LYS A 115 -13.192 4.260 -8.398 1.00 32.14 N ATOM 1611 CA LYS A 115 -13.427 3.705 -9.725 1.00 73.03 C ATOM 1612 C LYS A 115 -14.143 2.361 -9.636 1.00 25.55 C ATOM 1613 O LYS A 115 -13.616 1.404 -9.068 1.00 4.03 O ATOM 1614 CB LYS A 115 -12.103 3.541 -10.475 1.00 3.22 C ATOM 1615 CG LYS A 115 -12.067 4.263 -11.810 1.00 61.31 C ATOM 1616 CD LYS A 115 -10.719 4.923 -12.052 1.00 5.34 C ATOM 1617 CE LYS A 115 -10.845 6.437 -12.124 1.00 21.32 C ATOM 1618 NZ LYS A 115 -9.513 7.104 -12.145 1.00 52.51 N ATOM 0 H LYS A 115 -12.470 3.778 -7.862 1.00 32.14 H new ATOM 0 HA LYS A 115 -14.064 4.400 -10.273 1.00 73.03 H new ATOM 0 HB2 LYS A 115 -11.292 3.912 -9.849 1.00 3.22 H new ATOM 0 HB3 LYS A 115 -11.918 2.480 -10.640 1.00 3.22 H new ATOM 0 HG2 LYS A 115 -12.276 3.556 -12.613 1.00 61.31 H new ATOM 0 HG3 LYS A 115 -12.853 5.018 -11.838 1.00 61.31 H new ATOM 0 HD2 LYS A 115 -10.031 4.652 -11.251 1.00 5.34 H new ATOM 0 HD3 LYS A 115 -10.291 4.548 -12.981 1.00 5.34 H new ATOM 0 HE2 LYS A 115 -11.403 6.713 -13.018 1.00 21.32 H new ATOM 0 HE3 LYS A 115 -11.417 6.795 -11.268 1.00 21.32 H new ATOM 0 HZ1 LYS A 115 -9.642 8.135 -12.194 1.00 52.51 H new ATOM 0 HZ2 LYS A 115 -8.990 6.861 -11.280 1.00 52.51 H new ATOM 0 HZ3 LYS A 115 -8.977 6.782 -12.976 1.00 52.51 H new TER 1628 LYS A 115