USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 MET CE :methyl 157:sc= -0.109 (180deg=-0.735) USER MOD Set 1.2: A 76 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 112:sc= 1.35 USER MOD Set 2.2: A 43 HIS :FLIP no HD1:sc= -0.218 F(o=0.19,f=1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0146 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 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 10 MET CE :methyl 151:sc= -1.56 (180deg=-2.87!) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -146:sc= -1.22 (180deg=-2.11) USER MOD Single : A 20 ASN : amide:sc= -0.0295 X(o=-0.029,f=0.32) USER MOD Single : A 23 SER OG : rot 90:sc= -1.32 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0456 USER MOD Single : A 25 HIS : no HD1:sc= -0.567 X(o=-0.57,f=-0.61) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.69 USER MOD Single : A 27 MET CE :methyl -149:sc= -2.62 (180deg=-6.1!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.561) USER MOD Single : A 30 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.7!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -100:sc= -3.37! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -3.94! C(o=-3.9!,f=-4.7!) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0438 X(o=-0.044,f=0) USER MOD Single : A 60 HIS :FLIP no HD1:sc= -1.12 F(o=-1.9,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= -0.0891 X(o=-0.089,f=0.013) USER MOD Single : A 63 THR OG1 : rot 170:sc= -1.06 USER MOD Single : A 66 GLN : amide:sc= -0.0573 X(o=-0.057,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 74 GLN : amide:sc= -1.02 K(o=-1,f=-3!) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 167:sc= -0.0446 (180deg=-0.273) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -159:sc= -0.0598 (180deg=-0.351) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.101 0.349 -7.943 1.00 0.00 N ATOM 2 CA GLY A 1 -8.451 -0.173 -8.048 1.00 0.00 C ATOM 3 C GLY A 1 -8.573 -1.254 -9.104 1.00 0.00 C ATOM 4 O GLY A 1 -9.456 -1.198 -9.960 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.069 1.085 -7.208 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.450 -0.421 -7.690 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.815 0.758 -8.855 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.758 -0.576 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.135 0.642 -8.285 1.00 0.00 H new ATOM 8 N SER A 2 -7.684 -2.241 -9.045 1.00 0.00 N ATOM 9 CA SER A 2 -7.693 -3.337 -10.007 1.00 0.00 C ATOM 10 C SER A 2 -7.698 -4.685 -9.293 1.00 0.00 C ATOM 11 O SER A 2 -7.657 -4.751 -8.064 1.00 0.00 O ATOM 12 CB SER A 2 -6.479 -3.241 -10.932 1.00 0.00 C ATOM 13 OG SER A 2 -6.594 -4.143 -12.019 1.00 0.00 O ATOM 0 H SER A 2 -6.949 -2.304 -8.341 1.00 0.00 H new ATOM 0 HA SER A 2 -8.602 -3.258 -10.603 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.385 -2.223 -11.309 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.571 -3.458 -10.369 1.00 0.00 H new ATOM 0 HG SER A 2 -5.807 -4.061 -12.597 1.00 0.00 H new ATOM 19 N HIS A 3 -7.748 -5.760 -10.074 1.00 0.00 N ATOM 20 CA HIS A 3 -7.758 -7.109 -9.518 1.00 0.00 C ATOM 21 C HIS A 3 -6.411 -7.793 -9.730 1.00 0.00 C ATOM 22 O HIS A 3 -6.248 -8.589 -10.654 1.00 0.00 O ATOM 23 CB HIS A 3 -8.872 -7.939 -10.158 1.00 0.00 C ATOM 24 CG HIS A 3 -10.193 -7.234 -10.205 1.00 0.00 C ATOM 25 ND1 HIS A 3 -10.949 -6.979 -9.080 1.00 0.00 N ATOM 26 CD2 HIS A 3 -10.890 -6.729 -11.249 1.00 0.00 C ATOM 27 CE1 HIS A 3 -12.056 -6.348 -9.431 1.00 0.00 C ATOM 28 NE2 HIS A 3 -12.044 -6.184 -10.742 1.00 0.00 N ATOM 0 H HIS A 3 -7.782 -5.723 -11.093 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.942 -7.033 -8.446 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -8.577 -8.208 -11.172 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -8.986 -8.870 -9.602 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.594 -6.751 -12.287 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -12.837 -6.022 -8.760 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -12.774 -5.727 -11.289 1.00 0.00 H new ATOM 36 N MET A 4 -5.450 -7.477 -8.868 1.00 0.00 N ATOM 37 CA MET A 4 -4.118 -8.063 -8.962 1.00 0.00 C ATOM 38 C MET A 4 -4.156 -9.554 -8.641 1.00 0.00 C ATOM 39 O MET A 4 -5.150 -10.062 -8.124 1.00 0.00 O ATOM 40 CB MET A 4 -3.156 -7.349 -8.010 1.00 0.00 C ATOM 41 CG MET A 4 -3.073 -5.849 -8.242 1.00 0.00 C ATOM 42 SD MET A 4 -2.511 -5.433 -9.904 1.00 0.00 S ATOM 43 CE MET A 4 -1.360 -4.107 -9.551 1.00 0.00 C ATOM 0 H MET A 4 -5.569 -6.819 -8.097 1.00 0.00 H new ATOM 0 HA MET A 4 -3.765 -7.939 -9.986 1.00 0.00 H new ATOM 0 HB2 MET A 4 -3.471 -7.533 -6.983 1.00 0.00 H new ATOM 0 HB3 MET A 4 -2.161 -7.781 -8.120 1.00 0.00 H new ATOM 0 HG2 MET A 4 -4.054 -5.404 -8.072 1.00 0.00 H new ATOM 0 HG3 MET A 4 -2.393 -5.410 -7.512 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.927 -3.743 -10.483 1.00 0.00 H new ATOM 0 HE2 MET A 4 -1.885 -3.292 -9.052 1.00 0.00 H new ATOM 0 HE3 MET A 4 -0.566 -4.477 -8.903 1.00 0.00 H new ATOM 53 N VAL A 5 -3.066 -10.249 -8.952 1.00 0.00 N ATOM 54 CA VAL A 5 -2.975 -11.682 -8.697 1.00 0.00 C ATOM 55 C VAL A 5 -1.962 -11.980 -7.597 1.00 0.00 C ATOM 56 O VAL A 5 -0.869 -12.479 -7.864 1.00 0.00 O ATOM 57 CB VAL A 5 -2.578 -12.454 -9.969 1.00 0.00 C ATOM 58 CG1 VAL A 5 -2.567 -13.952 -9.702 1.00 0.00 C ATOM 59 CG2 VAL A 5 -3.520 -12.115 -11.114 1.00 0.00 C ATOM 0 H VAL A 5 -2.234 -9.843 -9.381 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.963 -12.011 -8.376 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.571 -12.153 -10.257 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.284 -14.482 -10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.848 -14.176 -8.914 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.561 -14.273 -9.389 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.224 -12.670 -12.005 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.539 -12.386 -10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -3.472 -11.046 -11.320 1.00 0.00 H new ATOM 69 N ASP A 6 -2.334 -11.672 -6.359 1.00 0.00 N ATOM 70 CA ASP A 6 -1.458 -11.908 -5.217 1.00 0.00 C ATOM 71 C ASP A 6 -2.222 -12.573 -4.076 1.00 0.00 C ATOM 72 O ASP A 6 -2.274 -12.051 -2.962 1.00 0.00 O ATOM 73 CB ASP A 6 -0.843 -10.593 -4.737 1.00 0.00 C ATOM 74 CG ASP A 6 0.196 -10.054 -5.701 1.00 0.00 C ATOM 75 OD1 ASP A 6 1.086 -10.829 -6.109 1.00 0.00 O ATOM 76 OD2 ASP A 6 0.118 -8.857 -6.048 1.00 0.00 O ATOM 0 H ASP A 6 -3.236 -11.259 -6.121 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.659 -12.578 -5.536 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.632 -9.852 -4.606 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.384 -10.745 -3.760 1.00 0.00 H new ATOM 81 N LYS A 7 -2.814 -13.728 -4.361 1.00 0.00 N ATOM 82 CA LYS A 7 -3.575 -14.466 -3.360 1.00 0.00 C ATOM 83 C LYS A 7 -3.686 -15.939 -3.738 1.00 0.00 C ATOM 84 O LYS A 7 -4.737 -16.417 -4.168 1.00 0.00 O ATOM 85 CB LYS A 7 -4.972 -13.861 -3.203 1.00 0.00 C ATOM 86 CG LYS A 7 -5.681 -13.619 -4.524 1.00 0.00 C ATOM 87 CD LYS A 7 -7.035 -12.961 -4.318 1.00 0.00 C ATOM 88 CE LYS A 7 -6.893 -11.476 -4.021 1.00 0.00 C ATOM 89 NZ LYS A 7 -8.205 -10.773 -4.070 1.00 0.00 N ATOM 0 H LYS A 7 -2.781 -14.173 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.046 -14.392 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.580 -14.526 -2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.892 -12.917 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.061 -12.987 -5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.812 -14.567 -5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.647 -13.098 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.557 -13.450 -3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.447 -11.344 -3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.212 -11.025 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.066 -9.763 -3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.620 -10.877 -5.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.847 -11.186 -3.364 1.00 0.00 H new ATOM 103 N PRO A 8 -2.579 -16.679 -3.574 1.00 0.00 N ATOM 104 CA PRO A 8 -2.529 -18.110 -3.890 1.00 0.00 C ATOM 105 C PRO A 8 -3.352 -18.948 -2.918 1.00 0.00 C ATOM 106 O PRO A 8 -4.089 -18.412 -2.090 1.00 0.00 O ATOM 107 CB PRO A 8 -1.042 -18.449 -3.763 1.00 0.00 C ATOM 108 CG PRO A 8 -0.500 -17.431 -2.820 1.00 0.00 C ATOM 109 CD PRO A 8 -1.292 -16.176 -3.066 1.00 0.00 C ATOM 0 HA PRO A 8 -2.947 -18.325 -4.873 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.898 -19.459 -3.380 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.541 -18.400 -4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.604 -17.762 -1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.563 -17.263 -2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.420 -15.596 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.801 -15.526 -3.790 1.00 0.00 H new ATOM 117 N LYS A 9 -3.221 -20.266 -3.023 1.00 0.00 N ATOM 118 CA LYS A 9 -3.951 -21.180 -2.152 1.00 0.00 C ATOM 119 C LYS A 9 -3.006 -21.869 -1.173 1.00 0.00 C ATOM 120 O LYS A 9 -1.797 -21.925 -1.398 1.00 0.00 O ATOM 121 CB LYS A 9 -4.693 -22.227 -2.985 1.00 0.00 C ATOM 122 CG LYS A 9 -5.911 -21.679 -3.708 1.00 0.00 C ATOM 123 CD LYS A 9 -5.541 -21.102 -5.064 1.00 0.00 C ATOM 124 CE LYS A 9 -6.383 -19.880 -5.398 1.00 0.00 C ATOM 125 NZ LYS A 9 -7.582 -20.237 -6.205 1.00 0.00 N ATOM 0 H LYS A 9 -2.616 -20.726 -3.703 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.676 -20.599 -1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.006 -22.649 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.005 -23.043 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -6.646 -22.473 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.380 -20.907 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.485 -20.830 -5.069 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.679 -21.861 -5.834 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.698 -19.393 -4.475 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.776 -19.160 -5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.130 -19.377 -6.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.281 -20.679 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.174 -20.904 -5.670 1.00 0.00 H new ATOM 139 N MET A 10 -3.565 -22.393 -0.087 1.00 0.00 N ATOM 140 CA MET A 10 -2.772 -23.081 0.925 1.00 0.00 C ATOM 141 C MET A 10 -3.539 -24.266 1.504 1.00 0.00 C ATOM 142 O MET A 10 -4.717 -24.149 1.840 1.00 0.00 O ATOM 143 CB MET A 10 -2.384 -22.113 2.044 1.00 0.00 C ATOM 144 CG MET A 10 -3.562 -21.341 2.615 1.00 0.00 C ATOM 145 SD MET A 10 -3.268 -20.772 4.301 1.00 0.00 S ATOM 146 CE MET A 10 -4.140 -22.025 5.238 1.00 0.00 C ATOM 0 H MET A 10 -4.564 -22.354 0.115 1.00 0.00 H new ATOM 0 HA MET A 10 -1.866 -23.456 0.449 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.903 -22.672 2.847 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.647 -21.406 1.663 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.772 -20.482 1.977 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.449 -21.975 2.599 1.00 0.00 H new ATOM 0 HE1 MET A 10 -3.668 -22.144 6.213 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.179 -21.722 5.372 1.00 0.00 H new ATOM 0 HE3 MET A 10 -4.104 -22.972 4.700 1.00 0.00 H new ATOM 156 N MET A 11 -2.863 -25.404 1.618 1.00 0.00 N ATOM 157 CA MET A 11 -3.481 -26.609 2.157 1.00 0.00 C ATOM 158 C MET A 11 -3.252 -26.711 3.662 1.00 0.00 C ATOM 159 O MET A 11 -2.163 -26.414 4.154 1.00 0.00 O ATOM 160 CB MET A 11 -2.923 -27.851 1.459 1.00 0.00 C ATOM 161 CG MET A 11 -3.936 -28.976 1.320 1.00 0.00 C ATOM 162 SD MET A 11 -3.164 -30.563 0.948 1.00 0.00 S ATOM 163 CE MET A 11 -3.274 -30.582 -0.840 1.00 0.00 C ATOM 0 H MET A 11 -1.887 -25.517 1.344 1.00 0.00 H new ATOM 0 HA MET A 11 -4.554 -26.550 1.974 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.565 -27.571 0.468 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.061 -28.216 2.018 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.507 -29.062 2.244 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.644 -28.727 0.530 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.836 -31.504 -1.222 1.00 0.00 H new ATOM 0 HE2 MET A 11 -4.320 -30.525 -1.141 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.733 -29.728 -1.247 1.00 0.00 H new ATOM 173 N ILE A 12 -4.283 -27.132 4.386 1.00 0.00 N ATOM 174 CA ILE A 12 -4.192 -27.273 5.834 1.00 0.00 C ATOM 175 C ILE A 12 -5.149 -28.346 6.343 1.00 0.00 C ATOM 176 O ILE A 12 -6.356 -28.276 6.113 1.00 0.00 O ATOM 177 CB ILE A 12 -4.501 -25.945 6.550 1.00 0.00 C ATOM 178 CG1 ILE A 12 -5.782 -25.324 5.988 1.00 0.00 C ATOM 179 CG2 ILE A 12 -3.332 -24.982 6.407 1.00 0.00 C ATOM 180 CD1 ILE A 12 -6.705 -24.775 7.054 1.00 0.00 C ATOM 0 H ILE A 12 -5.191 -27.381 3.994 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.167 -27.567 6.058 1.00 0.00 H new ATOM 0 HB ILE A 12 -4.652 -26.147 7.610 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.516 -24.521 5.301 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.317 -26.076 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.565 -24.048 6.918 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.440 -25.425 6.850 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.152 -24.782 5.351 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.592 -24.351 6.584 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.001 -25.579 7.728 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.188 -24.000 7.619 1.00 0.00 H new ATOM 192 N ALA A 13 -4.601 -29.339 7.037 1.00 0.00 N ATOM 193 CA ALA A 13 -5.406 -30.425 7.582 1.00 0.00 C ATOM 194 C ALA A 13 -5.662 -30.224 9.071 1.00 0.00 C ATOM 195 O ALA A 13 -4.753 -29.879 9.827 1.00 0.00 O ATOM 196 CB ALA A 13 -4.723 -31.762 7.337 1.00 0.00 C ATOM 0 H ALA A 13 -3.603 -29.413 7.235 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.369 -30.423 7.071 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.335 -32.564 7.749 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.597 -31.915 6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.746 -31.766 7.821 1.00 0.00 H new ATOM 202 N PHE A 14 -6.905 -30.441 9.488 1.00 0.00 N ATOM 203 CA PHE A 14 -7.282 -30.282 10.888 1.00 0.00 C ATOM 204 C PHE A 14 -7.931 -31.554 11.424 1.00 0.00 C ATOM 205 O PHE A 14 -8.748 -32.181 10.749 1.00 0.00 O ATOM 206 CB PHE A 14 -8.239 -29.100 11.049 1.00 0.00 C ATOM 207 CG PHE A 14 -9.686 -29.501 11.091 1.00 0.00 C ATOM 208 CD1 PHE A 14 -10.401 -29.685 9.918 1.00 0.00 C ATOM 209 CD2 PHE A 14 -10.330 -29.696 12.302 1.00 0.00 C ATOM 210 CE1 PHE A 14 -11.733 -30.054 9.954 1.00 0.00 C ATOM 211 CE2 PHE A 14 -11.662 -30.065 12.344 1.00 0.00 C ATOM 212 CZ PHE A 14 -12.363 -30.245 11.168 1.00 0.00 C ATOM 0 H PHE A 14 -7.669 -30.728 8.876 1.00 0.00 H new ATOM 0 HA PHE A 14 -6.376 -30.088 11.463 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.992 -28.565 11.966 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -8.087 -28.405 10.223 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -9.913 -29.539 8.966 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.785 -29.558 13.224 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.280 -30.193 9.033 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.153 -30.212 13.295 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.403 -30.535 11.198 1.00 0.00 H new ATOM 222 N THR A 15 -7.561 -31.931 12.644 1.00 0.00 N ATOM 223 CA THR A 15 -8.106 -33.129 13.272 1.00 0.00 C ATOM 224 C THR A 15 -9.441 -32.838 13.946 1.00 0.00 C ATOM 225 O THR A 15 -9.490 -32.199 14.999 1.00 0.00 O ATOM 226 CB THR A 15 -7.132 -33.708 14.316 1.00 0.00 C ATOM 227 OG1 THR A 15 -5.829 -33.859 13.740 1.00 0.00 O ATOM 228 CG2 THR A 15 -7.625 -35.053 14.828 1.00 0.00 C ATOM 0 H THR A 15 -6.886 -31.424 13.217 1.00 0.00 H new ATOM 0 HA THR A 15 -8.255 -33.862 12.479 1.00 0.00 H new ATOM 0 HB THR A 15 -7.079 -33.015 15.155 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.215 -34.226 14.410 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.921 -35.442 15.564 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.604 -34.929 15.292 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.704 -35.752 13.996 1.00 0.00 H new ATOM 236 N CYS A 16 -10.522 -33.310 13.336 1.00 0.00 N ATOM 237 CA CYS A 16 -11.860 -33.099 13.878 1.00 0.00 C ATOM 238 C CYS A 16 -12.039 -33.854 15.191 1.00 0.00 C ATOM 239 O CYS A 16 -12.144 -35.081 15.206 1.00 0.00 O ATOM 240 CB CYS A 16 -12.918 -33.549 12.869 1.00 0.00 C ATOM 241 SG CYS A 16 -14.518 -32.729 13.063 1.00 0.00 S ATOM 0 H CYS A 16 -10.499 -33.841 12.466 1.00 0.00 H new ATOM 0 HA CYS A 16 -11.983 -32.034 14.072 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.546 -33.363 11.861 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -13.060 -34.626 12.963 1.00 0.00 H new ATOM 246 N LYS A 17 -12.072 -33.113 16.294 1.00 0.00 N ATOM 247 CA LYS A 17 -12.237 -33.711 17.613 1.00 0.00 C ATOM 248 C LYS A 17 -13.658 -34.235 17.798 1.00 0.00 C ATOM 249 O LYS A 17 -13.946 -34.952 18.757 1.00 0.00 O ATOM 250 CB LYS A 17 -11.914 -32.687 18.704 1.00 0.00 C ATOM 251 CG LYS A 17 -12.770 -31.434 18.634 1.00 0.00 C ATOM 252 CD LYS A 17 -12.011 -30.274 18.012 1.00 0.00 C ATOM 253 CE LYS A 17 -12.526 -28.935 18.518 1.00 0.00 C ATOM 254 NZ LYS A 17 -11.809 -28.492 19.745 1.00 0.00 N ATOM 0 H LYS A 17 -11.987 -32.097 16.300 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.545 -34.549 17.694 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -12.047 -33.154 19.680 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.864 -32.405 18.626 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -13.667 -31.638 18.050 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.098 -31.160 19.637 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.950 -30.367 18.242 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.107 -30.315 16.927 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.409 -28.183 17.738 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -13.593 -29.013 18.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.189 -27.576 20.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.941 -29.197 20.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.795 -28.393 19.538 1.00 0.00 H new ATOM 268 N LYS A 18 -14.541 -33.876 16.874 1.00 0.00 N ATOM 269 CA LYS A 18 -15.931 -34.313 16.932 1.00 0.00 C ATOM 270 C LYS A 18 -16.053 -35.792 16.580 1.00 0.00 C ATOM 271 O LYS A 18 -16.585 -36.583 17.359 1.00 0.00 O ATOM 272 CB LYS A 18 -16.790 -33.478 15.980 1.00 0.00 C ATOM 273 CG LYS A 18 -18.199 -33.230 16.490 1.00 0.00 C ATOM 274 CD LYS A 18 -18.720 -31.872 16.051 1.00 0.00 C ATOM 275 CE LYS A 18 -19.367 -31.940 14.676 1.00 0.00 C ATOM 276 NZ LYS A 18 -20.296 -30.800 14.442 1.00 0.00 N ATOM 0 H LYS A 18 -14.319 -33.283 16.075 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.287 -34.171 17.952 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.301 -32.519 15.809 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.845 -33.984 15.016 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.863 -34.012 16.122 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.209 -33.290 17.578 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -19.446 -31.507 16.778 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.899 -31.155 16.033 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.592 -31.940 13.910 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -19.912 -32.879 14.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.094 -31.117 13.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -20.653 -30.451 15.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -19.790 -30.035 13.952 1.00 0.00 H new ATOM 290 N CYS A 19 -15.555 -36.157 15.404 1.00 0.00 N ATOM 291 CA CYS A 19 -15.607 -37.542 14.949 1.00 0.00 C ATOM 292 C CYS A 19 -14.206 -38.139 14.863 1.00 0.00 C ATOM 293 O CYS A 19 -13.997 -39.164 14.216 1.00 0.00 O ATOM 294 CB CYS A 19 -16.296 -37.628 13.586 1.00 0.00 C ATOM 295 SG CYS A 19 -15.616 -36.503 12.344 1.00 0.00 S ATOM 0 H CYS A 19 -15.111 -35.514 14.749 1.00 0.00 H new ATOM 0 HA CYS A 19 -16.183 -38.116 15.675 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.219 -38.650 13.216 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.357 -37.414 13.713 1.00 0.00 H new ATOM 300 N ASN A 20 -13.250 -37.490 15.519 1.00 0.00 N ATOM 301 CA ASN A 20 -11.868 -37.955 15.515 1.00 0.00 C ATOM 302 C ASN A 20 -11.390 -38.227 14.092 1.00 0.00 C ATOM 303 O ASN A 20 -10.551 -39.099 13.862 1.00 0.00 O ATOM 304 CB ASN A 20 -11.733 -39.223 16.361 1.00 0.00 C ATOM 305 CG ASN A 20 -10.339 -39.390 16.934 1.00 0.00 C ATOM 306 OD1 ASN A 20 -9.429 -39.864 16.254 1.00 0.00 O ATOM 307 ND2 ASN A 20 -10.165 -38.999 18.191 1.00 0.00 N ATOM 0 H ASN A 20 -13.407 -36.640 16.060 1.00 0.00 H new ATOM 0 HA ASN A 20 -11.245 -37.171 15.945 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.456 -39.192 17.176 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.978 -40.092 15.750 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.248 -39.086 18.630 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -10.948 -38.611 18.718 1.00 0.00 H new ATOM 314 N THR A 21 -11.929 -37.473 13.138 1.00 0.00 N ATOM 315 CA THR A 21 -11.559 -37.632 11.738 1.00 0.00 C ATOM 316 C THR A 21 -10.718 -36.456 11.255 1.00 0.00 C ATOM 317 O THR A 21 -11.043 -35.299 11.519 1.00 0.00 O ATOM 318 CB THR A 21 -12.803 -37.763 10.839 1.00 0.00 C ATOM 319 OG1 THR A 21 -13.699 -38.739 11.381 1.00 0.00 O ATOM 320 CG2 THR A 21 -12.409 -38.158 9.424 1.00 0.00 C ATOM 0 H THR A 21 -12.623 -36.746 13.311 1.00 0.00 H new ATOM 0 HA THR A 21 -10.972 -38.548 11.668 1.00 0.00 H new ATOM 0 HB THR A 21 -13.301 -36.794 10.803 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.511 -38.295 11.703 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.304 -38.244 8.808 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.751 -37.397 9.004 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.889 -39.116 9.445 1.00 0.00 H new ATOM 328 N ARG A 22 -9.636 -36.761 10.545 1.00 0.00 N ATOM 329 CA ARG A 22 -8.748 -35.728 10.025 1.00 0.00 C ATOM 330 C ARG A 22 -8.856 -35.631 8.506 1.00 0.00 C ATOM 331 O ARG A 22 -8.914 -36.647 7.813 1.00 0.00 O ATOM 332 CB ARG A 22 -7.301 -36.020 10.427 1.00 0.00 C ATOM 333 CG ARG A 22 -6.445 -34.772 10.570 1.00 0.00 C ATOM 334 CD ARG A 22 -4.995 -35.047 10.202 1.00 0.00 C ATOM 335 NE ARG A 22 -4.134 -33.900 10.478 1.00 0.00 N ATOM 336 CZ ARG A 22 -2.846 -33.853 10.156 1.00 0.00 C ATOM 337 NH1 ARG A 22 -2.273 -34.883 9.549 1.00 0.00 N ATOM 338 NH2 ARG A 22 -2.128 -32.774 10.440 1.00 0.00 N ATOM 0 H ARG A 22 -9.354 -37.714 10.317 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.052 -34.773 10.455 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.298 -36.563 11.372 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.851 -36.676 9.682 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.841 -33.983 9.931 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.499 -34.408 11.596 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.637 -35.912 10.760 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.931 -35.302 9.144 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.544 -33.090 10.944 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.821 -35.714 9.328 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.284 -34.844 9.303 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.565 -31.979 10.906 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.139 -32.740 10.192 1.00 0.00 H new ATOM 352 N SER A 23 -8.883 -34.404 7.997 1.00 0.00 N ATOM 353 CA SER A 23 -8.989 -34.175 6.561 1.00 0.00 C ATOM 354 C SER A 23 -8.248 -32.904 6.157 1.00 0.00 C ATOM 355 O SER A 23 -8.085 -31.986 6.961 1.00 0.00 O ATOM 356 CB SER A 23 -10.458 -34.076 6.145 1.00 0.00 C ATOM 357 OG SER A 23 -11.230 -35.096 6.756 1.00 0.00 O ATOM 0 H SER A 23 -8.833 -33.553 8.557 1.00 0.00 H new ATOM 0 HA SER A 23 -8.530 -35.021 6.049 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.853 -33.099 6.424 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.539 -34.154 5.061 1.00 0.00 H new ATOM 0 HG SER A 23 -11.573 -34.776 7.616 1.00 0.00 H new ATOM 363 N SER A 24 -7.801 -32.858 4.906 1.00 0.00 N ATOM 364 CA SER A 24 -7.074 -31.702 4.396 1.00 0.00 C ATOM 365 C SER A 24 -8.004 -30.776 3.618 1.00 0.00 C ATOM 366 O SER A 24 -8.928 -31.229 2.942 1.00 0.00 O ATOM 367 CB SER A 24 -5.920 -32.154 3.499 1.00 0.00 C ATOM 368 OG SER A 24 -6.097 -33.495 3.077 1.00 0.00 O ATOM 0 H SER A 24 -7.930 -33.608 4.227 1.00 0.00 H new ATOM 0 HA SER A 24 -6.670 -31.153 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.855 -31.501 2.629 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.978 -32.061 4.039 1.00 0.00 H new ATOM 0 HG SER A 24 -5.347 -33.759 2.504 1.00 0.00 H new ATOM 374 N HIS A 25 -7.753 -29.474 3.719 1.00 0.00 N ATOM 375 CA HIS A 25 -8.566 -28.482 3.025 1.00 0.00 C ATOM 376 C HIS A 25 -7.699 -27.347 2.489 1.00 0.00 C ATOM 377 O HIS A 25 -6.894 -26.768 3.219 1.00 0.00 O ATOM 378 CB HIS A 25 -9.636 -27.923 3.963 1.00 0.00 C ATOM 379 CG HIS A 25 -10.183 -28.937 4.920 1.00 0.00 C ATOM 380 ND1 HIS A 25 -11.358 -29.624 4.699 1.00 0.00 N ATOM 381 CD2 HIS A 25 -9.708 -29.380 6.108 1.00 0.00 C ATOM 382 CE1 HIS A 25 -11.583 -30.445 5.709 1.00 0.00 C ATOM 383 NE2 HIS A 25 -10.596 -30.316 6.578 1.00 0.00 N ATOM 0 H HIS A 25 -6.993 -29.082 4.275 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.053 -28.973 2.182 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.214 -27.093 4.529 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.455 -27.519 3.367 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.800 -29.057 6.595 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.429 -31.109 5.808 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -10.508 -30.829 7.455 1.00 0.00 H new ATOM 391 N THR A 26 -7.868 -27.034 1.208 1.00 0.00 N ATOM 392 CA THR A 26 -7.100 -25.970 0.574 1.00 0.00 C ATOM 393 C THR A 26 -7.951 -24.720 0.377 1.00 0.00 C ATOM 394 O THR A 26 -9.073 -24.794 -0.123 1.00 0.00 O ATOM 395 CB THR A 26 -6.541 -26.417 -0.790 1.00 0.00 C ATOM 396 OG1 THR A 26 -6.294 -27.827 -0.780 1.00 0.00 O ATOM 397 CG2 THR A 26 -5.255 -25.674 -1.118 1.00 0.00 C ATOM 0 H THR A 26 -8.530 -27.502 0.589 1.00 0.00 H new ATOM 0 HA THR A 26 -6.269 -25.739 1.241 1.00 0.00 H new ATOM 0 HB THR A 26 -7.282 -26.184 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.940 -28.103 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.879 -26.007 -2.086 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.453 -24.603 -1.154 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.510 -25.880 -0.349 1.00 0.00 H new ATOM 405 N MET A 27 -7.409 -23.573 0.773 1.00 0.00 N ATOM 406 CA MET A 27 -8.118 -22.306 0.637 1.00 0.00 C ATOM 407 C MET A 27 -7.141 -21.157 0.409 1.00 0.00 C ATOM 408 O MET A 27 -5.950 -21.278 0.693 1.00 0.00 O ATOM 409 CB MET A 27 -8.961 -22.033 1.885 1.00 0.00 C ATOM 410 CG MET A 27 -8.134 -21.776 3.133 1.00 0.00 C ATOM 411 SD MET A 27 -7.639 -23.297 3.965 1.00 0.00 S ATOM 412 CE MET A 27 -9.236 -23.984 4.393 1.00 0.00 C ATOM 0 H MET A 27 -6.482 -23.495 1.190 1.00 0.00 H new ATOM 0 HA MET A 27 -8.775 -22.378 -0.230 1.00 0.00 H new ATOM 0 HB2 MET A 27 -9.601 -21.170 1.699 1.00 0.00 H new ATOM 0 HB3 MET A 27 -9.618 -22.885 2.063 1.00 0.00 H new ATOM 0 HG2 MET A 27 -7.244 -21.208 2.863 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.709 -21.159 3.824 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.150 -24.558 5.316 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.954 -23.176 4.534 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.578 -24.637 3.590 1.00 0.00 H new ATOM 422 N SER A 28 -7.654 -20.044 -0.106 1.00 0.00 N ATOM 423 CA SER A 28 -6.825 -18.875 -0.377 1.00 0.00 C ATOM 424 C SER A 28 -6.115 -18.408 0.890 1.00 0.00 C ATOM 425 O SER A 28 -6.748 -18.165 1.918 1.00 0.00 O ATOM 426 CB SER A 28 -7.678 -17.740 -0.946 1.00 0.00 C ATOM 427 OG SER A 28 -7.875 -17.899 -2.340 1.00 0.00 O ATOM 0 H SER A 28 -8.639 -19.927 -0.344 1.00 0.00 H new ATOM 0 HA SER A 28 -6.071 -19.156 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.643 -17.717 -0.440 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.193 -16.784 -0.751 1.00 0.00 H new ATOM 0 HG SER A 28 -8.425 -17.162 -2.679 1.00 0.00 H new ATOM 433 N LYS A 29 -4.794 -18.283 0.809 1.00 0.00 N ATOM 434 CA LYS A 29 -3.995 -17.844 1.946 1.00 0.00 C ATOM 435 C LYS A 29 -4.360 -16.418 2.349 1.00 0.00 C ATOM 436 O LYS A 29 -4.307 -16.065 3.526 1.00 0.00 O ATOM 437 CB LYS A 29 -2.504 -17.925 1.611 1.00 0.00 C ATOM 438 CG LYS A 29 -2.037 -16.843 0.653 1.00 0.00 C ATOM 439 CD LYS A 29 -1.491 -15.637 1.398 1.00 0.00 C ATOM 440 CE LYS A 29 -1.690 -14.354 0.604 1.00 0.00 C ATOM 441 NZ LYS A 29 -1.719 -13.155 1.486 1.00 0.00 N ATOM 0 H LYS A 29 -4.254 -18.480 -0.034 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.208 -18.506 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.928 -17.855 2.534 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.290 -18.901 1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.266 -17.246 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.868 -16.534 0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.988 -15.549 2.364 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.429 -15.781 1.598 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.886 -14.249 -0.125 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.623 -14.415 0.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.240 -12.389 1.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.191 -13.394 2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.746 -12.843 1.680 1.00 0.00 H new ATOM 455 N GLN A 30 -4.730 -15.606 1.364 1.00 0.00 N ATOM 456 CA GLN A 30 -5.103 -14.220 1.617 1.00 0.00 C ATOM 457 C GLN A 30 -6.426 -14.142 2.372 1.00 0.00 C ATOM 458 O GLN A 30 -6.577 -13.347 3.299 1.00 0.00 O ATOM 459 CB GLN A 30 -5.207 -13.449 0.300 1.00 0.00 C ATOM 460 CG GLN A 30 -4.954 -11.957 0.447 1.00 0.00 C ATOM 461 CD GLN A 30 -6.236 -11.152 0.525 1.00 0.00 C ATOM 462 OE1 GLN A 30 -6.951 -11.003 -0.466 1.00 0.00 O ATOM 463 NE2 GLN A 30 -6.535 -10.629 1.709 1.00 0.00 N ATOM 0 H GLN A 30 -4.779 -15.884 0.384 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.326 -13.768 2.234 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.491 -13.862 -0.411 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.200 -13.601 -0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.363 -11.780 1.345 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.361 -11.608 -0.399 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.913 -10.778 2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.386 -10.079 1.823 1.00 0.00 H new ATOM 472 N ALA A 31 -7.382 -14.971 1.967 1.00 0.00 N ATOM 473 CA ALA A 31 -8.692 -14.997 2.606 1.00 0.00 C ATOM 474 C ALA A 31 -8.615 -15.629 3.992 1.00 0.00 C ATOM 475 O ALA A 31 -9.366 -15.261 4.895 1.00 0.00 O ATOM 476 CB ALA A 31 -9.689 -15.749 1.736 1.00 0.00 C ATOM 0 H ALA A 31 -7.274 -15.634 1.199 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.032 -13.968 2.723 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -10.663 -15.761 2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.775 -15.253 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.344 -16.773 1.589 1.00 0.00 H new ATOM 482 N TYR A 32 -7.703 -16.581 4.152 1.00 0.00 N ATOM 483 CA TYR A 32 -7.530 -17.266 5.428 1.00 0.00 C ATOM 484 C TYR A 32 -6.792 -16.380 6.426 1.00 0.00 C ATOM 485 O TYR A 32 -7.160 -16.309 7.599 1.00 0.00 O ATOM 486 CB TYR A 32 -6.764 -18.575 5.228 1.00 0.00 C ATOM 487 CG TYR A 32 -6.358 -19.243 6.522 1.00 0.00 C ATOM 488 CD1 TYR A 32 -5.165 -18.912 7.153 1.00 0.00 C ATOM 489 CD2 TYR A 32 -7.168 -20.204 7.114 1.00 0.00 C ATOM 490 CE1 TYR A 32 -4.789 -19.521 8.335 1.00 0.00 C ATOM 491 CE2 TYR A 32 -6.801 -20.817 8.297 1.00 0.00 C ATOM 492 CZ TYR A 32 -5.611 -20.472 8.903 1.00 0.00 C ATOM 493 OH TYR A 32 -5.241 -21.079 10.081 1.00 0.00 O ATOM 0 H TYR A 32 -7.072 -16.896 3.415 1.00 0.00 H new ATOM 0 HA TYR A 32 -8.519 -17.489 5.829 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.382 -19.264 4.652 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.871 -18.377 4.636 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.521 -18.166 6.712 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -8.100 -20.477 6.642 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -3.857 -19.254 8.811 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -7.442 -21.562 8.744 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.930 -21.723 10.348 1.00 0.00 H new ATOM 503 N GLU A 33 -5.749 -15.706 5.952 1.00 0.00 N ATOM 504 CA GLU A 33 -4.959 -14.824 6.803 1.00 0.00 C ATOM 505 C GLU A 33 -5.688 -13.506 7.046 1.00 0.00 C ATOM 506 O GLU A 33 -5.532 -12.881 8.095 1.00 0.00 O ATOM 507 CB GLU A 33 -3.593 -14.555 6.168 1.00 0.00 C ATOM 508 CG GLU A 33 -2.600 -15.691 6.355 1.00 0.00 C ATOM 509 CD GLU A 33 -1.162 -15.212 6.365 1.00 0.00 C ATOM 510 OE1 GLU A 33 -0.764 -14.508 5.413 1.00 0.00 O ATOM 511 OE2 GLU A 33 -0.433 -15.540 7.325 1.00 0.00 O ATOM 0 H GLU A 33 -5.432 -15.754 4.984 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.814 -15.321 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.727 -14.373 5.102 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.175 -13.644 6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.814 -16.205 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.731 -16.419 5.554 1.00 0.00 H new ATOM 518 N LYS A 34 -6.484 -13.088 6.067 1.00 0.00 N ATOM 519 CA LYS A 34 -7.238 -11.845 6.172 1.00 0.00 C ATOM 520 C LYS A 34 -8.649 -12.016 5.619 1.00 0.00 C ATOM 521 O LYS A 34 -8.982 -11.477 4.565 1.00 0.00 O ATOM 522 CB LYS A 34 -6.517 -10.722 5.422 1.00 0.00 C ATOM 523 CG LYS A 34 -5.038 -10.623 5.750 1.00 0.00 C ATOM 524 CD LYS A 34 -4.813 -10.164 7.181 1.00 0.00 C ATOM 525 CE LYS A 34 -3.497 -10.689 7.735 1.00 0.00 C ATOM 526 NZ LYS A 34 -3.244 -10.203 9.119 1.00 0.00 N ATOM 0 H LYS A 34 -6.623 -13.593 5.192 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.310 -11.581 7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.633 -10.880 4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.997 -9.772 5.658 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.565 -11.594 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.558 -9.925 5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.816 -9.075 7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.636 -10.508 7.808 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.510 -11.779 7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.679 -10.377 7.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.338 -10.583 9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.206 -9.164 9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.011 -10.522 9.745 1.00 0.00 H new ATOM 540 N GLY A 35 -9.475 -12.769 6.339 1.00 0.00 N ATOM 541 CA GLY A 35 -10.841 -12.997 5.904 1.00 0.00 C ATOM 542 C GLY A 35 -11.466 -14.209 6.566 1.00 0.00 C ATOM 543 O GLY A 35 -10.875 -14.810 7.464 1.00 0.00 O ATOM 0 H GLY A 35 -9.223 -13.225 7.216 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.442 -12.115 6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.857 -13.129 4.822 1.00 0.00 H new ATOM 547 N THR A 36 -12.666 -14.570 6.123 1.00 0.00 N ATOM 548 CA THR A 36 -13.373 -15.717 6.679 1.00 0.00 C ATOM 549 C THR A 36 -13.174 -16.957 5.816 1.00 0.00 C ATOM 550 O THR A 36 -13.190 -16.880 4.587 1.00 0.00 O ATOM 551 CB THR A 36 -14.881 -15.435 6.815 1.00 0.00 C ATOM 552 OG1 THR A 36 -15.092 -14.077 7.215 1.00 0.00 O ATOM 553 CG2 THR A 36 -15.518 -16.373 7.830 1.00 0.00 C ATOM 0 H THR A 36 -13.169 -14.084 5.380 1.00 0.00 H new ATOM 0 HA THR A 36 -12.954 -15.897 7.669 1.00 0.00 H new ATOM 0 HB THR A 36 -15.348 -15.604 5.845 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.269 -14.043 8.178 1.00 0.00 H new ATOM 0 HG21 THR A 36 -16.583 -16.155 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.382 -17.405 7.507 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.046 -16.232 8.802 1.00 0.00 H new ATOM 561 N VAL A 37 -12.988 -18.102 6.466 1.00 0.00 N ATOM 562 CA VAL A 37 -12.789 -19.360 5.757 1.00 0.00 C ATOM 563 C VAL A 37 -13.523 -20.503 6.449 1.00 0.00 C ATOM 564 O VAL A 37 -13.409 -20.684 7.662 1.00 0.00 O ATOM 565 CB VAL A 37 -11.293 -19.713 5.651 1.00 0.00 C ATOM 566 CG1 VAL A 37 -10.621 -18.877 4.573 1.00 0.00 C ATOM 567 CG2 VAL A 37 -10.605 -19.521 6.994 1.00 0.00 C ATOM 0 H VAL A 37 -12.971 -18.184 7.483 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.195 -19.227 4.754 1.00 0.00 H new ATOM 0 HB VAL A 37 -11.204 -20.762 5.370 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.565 -19.141 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.098 -19.070 3.612 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.717 -17.820 4.820 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.549 -19.775 6.901 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -10.702 -18.482 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.070 -20.169 7.737 1.00 0.00 H new ATOM 577 N LEU A 38 -14.275 -21.272 5.670 1.00 0.00 N ATOM 578 CA LEU A 38 -15.028 -22.400 6.208 1.00 0.00 C ATOM 579 C LEU A 38 -14.621 -23.702 5.524 1.00 0.00 C ATOM 580 O LEU A 38 -14.357 -23.727 4.322 1.00 0.00 O ATOM 581 CB LEU A 38 -16.530 -22.166 6.032 1.00 0.00 C ATOM 582 CG LEU A 38 -17.098 -20.916 6.704 1.00 0.00 C ATOM 583 CD1 LEU A 38 -18.419 -20.519 6.064 1.00 0.00 C ATOM 584 CD2 LEU A 38 -17.275 -21.148 8.198 1.00 0.00 C ATOM 0 H LEU A 38 -14.380 -21.136 4.665 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.801 -22.483 7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.746 -22.110 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -17.061 -23.036 6.420 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.391 -20.098 6.565 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.808 -19.627 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.262 -20.311 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -19.135 -21.334 6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.680 -20.248 8.660 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -17.962 -21.979 8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.310 -21.383 8.647 1.00 0.00 H new ATOM 596 N ILE A 39 -14.575 -24.781 6.298 1.00 0.00 N ATOM 597 CA ILE A 39 -14.204 -26.086 5.767 1.00 0.00 C ATOM 598 C ILE A 39 -15.168 -27.168 6.242 1.00 0.00 C ATOM 599 O ILE A 39 -15.622 -27.150 7.386 1.00 0.00 O ATOM 600 CB ILE A 39 -12.772 -26.475 6.178 1.00 0.00 C ATOM 601 CG1 ILE A 39 -12.544 -26.176 7.661 1.00 0.00 C ATOM 602 CG2 ILE A 39 -11.756 -25.735 5.321 1.00 0.00 C ATOM 603 CD1 ILE A 39 -11.582 -27.133 8.330 1.00 0.00 C ATOM 0 H ILE A 39 -14.790 -24.777 7.295 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.254 -26.009 4.681 1.00 0.00 H new ATOM 0 HB ILE A 39 -12.642 -27.545 6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -12.163 -25.160 7.764 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.501 -26.212 8.182 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.748 -26.020 5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -11.907 -25.993 4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.883 -24.660 5.452 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.469 -26.861 9.379 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.971 -28.149 8.259 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.613 -27.080 7.835 1.00 0.00 H new ATOM 615 N SER A 40 -15.476 -28.110 5.356 1.00 0.00 N ATOM 616 CA SER A 40 -16.388 -29.199 5.684 1.00 0.00 C ATOM 617 C SER A 40 -15.618 -30.484 5.976 1.00 0.00 C ATOM 618 O SER A 40 -14.646 -30.807 5.292 1.00 0.00 O ATOM 619 CB SER A 40 -17.372 -29.432 4.536 1.00 0.00 C ATOM 620 OG SER A 40 -17.299 -30.765 4.063 1.00 0.00 O ATOM 0 H SER A 40 -15.107 -28.141 4.406 1.00 0.00 H new ATOM 0 HA SER A 40 -16.943 -28.917 6.578 1.00 0.00 H new ATOM 0 HB2 SER A 40 -18.386 -29.218 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.155 -28.741 3.721 1.00 0.00 H new ATOM 0 HG SER A 40 -17.939 -30.888 3.331 1.00 0.00 H new ATOM 626 N CYS A 41 -16.059 -31.211 6.996 1.00 0.00 N ATOM 627 CA CYS A 41 -15.411 -32.460 7.381 1.00 0.00 C ATOM 628 C CYS A 41 -16.049 -33.646 6.665 1.00 0.00 C ATOM 629 O CYS A 41 -17.226 -33.954 6.849 1.00 0.00 O ATOM 630 CB CYS A 41 -15.496 -32.658 8.895 1.00 0.00 C ATOM 631 SG CYS A 41 -14.922 -34.276 9.462 1.00 0.00 S ATOM 0 H CYS A 41 -16.862 -30.958 7.571 1.00 0.00 H new ATOM 0 HA CYS A 41 -14.363 -32.402 7.088 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.907 -31.883 9.385 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -16.530 -32.520 9.211 1.00 0.00 H new ATOM 636 N PRO A 42 -15.254 -34.328 5.826 1.00 0.00 N ATOM 637 CA PRO A 42 -15.720 -35.491 5.064 1.00 0.00 C ATOM 638 C PRO A 42 -15.983 -36.700 5.954 1.00 0.00 C ATOM 639 O PRO A 42 -15.289 -37.714 5.864 1.00 0.00 O ATOM 640 CB PRO A 42 -14.560 -35.774 4.106 1.00 0.00 C ATOM 641 CG PRO A 42 -13.359 -35.217 4.789 1.00 0.00 C ATOM 642 CD PRO A 42 -13.840 -34.017 5.558 1.00 0.00 C ATOM 0 HA PRO A 42 -16.668 -35.297 4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.451 -36.843 3.922 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.721 -35.299 3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.912 -35.954 5.456 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.594 -34.936 4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.277 -33.879 6.481 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.733 -33.100 4.979 1.00 0.00 H new ATOM 650 N HIS A 43 -16.990 -36.588 6.815 1.00 0.00 N ATOM 651 CA HIS A 43 -17.345 -37.674 7.722 1.00 0.00 C ATOM 652 C HIS A 43 -18.594 -37.324 8.525 1.00 0.00 C ATOM 653 O HIS A 43 -19.683 -37.830 8.250 1.00 0.00 O ATOM 654 CB HIS A 43 -16.184 -37.976 8.669 1.00 0.00 C ATOM 655 CG HIS A 43 -16.469 -39.089 9.630 1.00 0.00 C ATOM 656 ND1 HIS A 43 -17.157 -39.098 10.795 1.00 0.00 N flip ATOM 657 CD2 HIS A 43 -16.024 -40.380 9.440 1.00 0.00 C flip ATOM 658 CE1 HIS A 43 -17.117 -40.381 11.282 1.00 0.00 C flip ATOM 659 NE2 HIS A 43 -16.427 -41.135 10.446 1.00 0.00 N flip ATOM 0 H HIS A 43 -17.574 -35.757 6.904 1.00 0.00 H new ATOM 0 HA HIS A 43 -17.555 -38.560 7.123 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -15.303 -38.232 8.080 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -15.941 -37.075 9.232 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -15.437 -40.721 8.600 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -17.575 -40.719 12.200 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -16.237 -42.131 10.558 1.00 0.00 H new ATOM 667 N CYS A 44 -18.429 -36.457 9.518 1.00 0.00 N ATOM 668 CA CYS A 44 -19.543 -36.041 10.363 1.00 0.00 C ATOM 669 C CYS A 44 -20.460 -35.076 9.617 1.00 0.00 C ATOM 670 O CYS A 44 -21.530 -34.714 10.108 1.00 0.00 O ATOM 671 CB CYS A 44 -19.023 -35.383 11.642 1.00 0.00 C ATOM 672 SG CYS A 44 -17.953 -33.955 11.354 1.00 0.00 S ATOM 0 H CYS A 44 -17.535 -36.029 9.758 1.00 0.00 H new ATOM 0 HA CYS A 44 -20.117 -36.929 10.628 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -19.873 -35.070 12.248 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -18.473 -36.124 12.222 1.00 0.00 H new ATOM 677 N LYS A 45 -20.033 -34.662 8.429 1.00 0.00 N ATOM 678 CA LYS A 45 -20.814 -33.739 7.614 1.00 0.00 C ATOM 679 C LYS A 45 -21.176 -32.486 8.406 1.00 0.00 C ATOM 680 O LYS A 45 -22.264 -32.392 8.975 1.00 0.00 O ATOM 681 CB LYS A 45 -22.088 -34.422 7.111 1.00 0.00 C ATOM 682 CG LYS A 45 -21.850 -35.812 6.547 1.00 0.00 C ATOM 683 CD LYS A 45 -22.905 -36.185 5.519 1.00 0.00 C ATOM 684 CE LYS A 45 -22.527 -35.696 4.130 1.00 0.00 C ATOM 685 NZ LYS A 45 -23.612 -35.944 3.140 1.00 0.00 N ATOM 0 H LYS A 45 -19.150 -34.951 8.009 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.205 -33.445 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.802 -34.489 7.931 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.544 -33.800 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.862 -35.855 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.857 -36.541 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.032 -37.267 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -23.864 -35.756 5.808 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.307 -34.629 4.168 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.616 -36.198 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.316 -35.596 2.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.805 -36.964 3.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.474 -35.444 3.438 1.00 0.00 H new ATOM 699 N VAL A 46 -20.257 -31.526 8.438 1.00 0.00 N ATOM 700 CA VAL A 46 -20.481 -30.278 9.158 1.00 0.00 C ATOM 701 C VAL A 46 -19.379 -29.267 8.862 1.00 0.00 C ATOM 702 O VAL A 46 -18.220 -29.636 8.671 1.00 0.00 O ATOM 703 CB VAL A 46 -20.551 -30.512 10.679 1.00 0.00 C ATOM 704 CG1 VAL A 46 -19.168 -30.804 11.240 1.00 0.00 C ATOM 705 CG2 VAL A 46 -21.175 -29.312 11.374 1.00 0.00 C ATOM 0 H VAL A 46 -19.351 -31.589 7.974 1.00 0.00 H new ATOM 0 HA VAL A 46 -21.436 -29.882 8.814 1.00 0.00 H new ATOM 0 HB VAL A 46 -21.182 -31.381 10.866 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.238 -30.966 12.316 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -18.763 -31.697 10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.509 -29.958 11.043 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.217 -29.494 12.448 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.572 -28.425 11.180 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -22.184 -29.155 10.993 1.00 0.00 H new ATOM 715 N ARG A 47 -19.748 -27.991 8.825 1.00 0.00 N ATOM 716 CA ARG A 47 -18.790 -26.926 8.551 1.00 0.00 C ATOM 717 C ARG A 47 -18.250 -26.333 9.849 1.00 0.00 C ATOM 718 O ARG A 47 -18.961 -26.256 10.852 1.00 0.00 O ATOM 719 CB ARG A 47 -19.444 -25.828 7.709 1.00 0.00 C ATOM 720 CG ARG A 47 -20.148 -26.350 6.468 1.00 0.00 C ATOM 721 CD ARG A 47 -19.153 -26.747 5.388 1.00 0.00 C ATOM 722 NE ARG A 47 -18.395 -25.601 4.894 1.00 0.00 N ATOM 723 CZ ARG A 47 -17.843 -25.550 3.687 1.00 0.00 C ATOM 724 NH1 ARG A 47 -17.965 -26.575 2.855 1.00 0.00 N ATOM 725 NH2 ARG A 47 -17.168 -24.471 3.310 1.00 0.00 N ATOM 0 H ARG A 47 -20.703 -27.669 8.981 1.00 0.00 H new ATOM 0 HA ARG A 47 -17.957 -27.355 7.994 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -20.164 -25.290 8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -18.681 -25.110 7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -20.763 -27.211 6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -20.821 -25.585 6.081 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.465 -27.493 5.786 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -19.685 -27.214 4.559 1.00 0.00 H new ATOM 0 HE ARG A 47 -18.283 -24.795 5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.484 -27.405 3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.540 -26.533 1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.073 -23.680 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.744 -24.433 2.383 1.00 0.00 H new ATOM 739 N HIS A 48 -16.988 -25.916 9.823 1.00 0.00 N ATOM 740 CA HIS A 48 -16.352 -25.330 10.997 1.00 0.00 C ATOM 741 C HIS A 48 -15.491 -24.133 10.608 1.00 0.00 C ATOM 742 O HIS A 48 -14.949 -24.077 9.503 1.00 0.00 O ATOM 743 CB HIS A 48 -15.498 -26.375 11.716 1.00 0.00 C ATOM 744 CG HIS A 48 -15.501 -27.715 11.045 1.00 0.00 C ATOM 745 ND1 HIS A 48 -16.339 -28.743 11.421 1.00 0.00 N ATOM 746 CD2 HIS A 48 -14.761 -28.191 10.016 1.00 0.00 C ATOM 747 CE1 HIS A 48 -16.115 -29.794 10.653 1.00 0.00 C ATOM 748 NE2 HIS A 48 -15.162 -29.485 9.792 1.00 0.00 N ATOM 0 H HIS A 48 -16.386 -25.973 9.002 1.00 0.00 H new ATOM 0 HA HIS A 48 -17.137 -24.987 11.671 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -14.472 -26.012 11.780 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -15.861 -26.488 12.738 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -17.025 -28.699 12.175 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.998 -27.653 9.473 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.624 -30.744 10.718 1.00 0.00 H new ATOM 756 N LEU A 49 -15.369 -23.176 11.521 1.00 0.00 N ATOM 757 CA LEU A 49 -14.575 -21.978 11.274 1.00 0.00 C ATOM 758 C LEU A 49 -13.102 -22.228 11.583 1.00 0.00 C ATOM 759 O LEU A 49 -12.766 -22.825 12.606 1.00 0.00 O ATOM 760 CB LEU A 49 -15.094 -20.813 12.118 1.00 0.00 C ATOM 761 CG LEU A 49 -14.212 -19.565 12.156 1.00 0.00 C ATOM 762 CD1 LEU A 49 -14.271 -18.829 10.826 1.00 0.00 C ATOM 763 CD2 LEU A 49 -14.634 -18.648 13.294 1.00 0.00 C ATOM 0 H LEU A 49 -15.810 -23.207 12.440 1.00 0.00 H new ATOM 0 HA LEU A 49 -14.668 -21.723 10.218 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -16.076 -20.528 11.742 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -15.234 -21.165 13.140 1.00 0.00 H new ATOM 0 HG LEU A 49 -13.182 -19.877 12.330 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -13.637 -17.943 10.872 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -13.919 -19.486 10.031 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -15.299 -18.529 10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -13.995 -17.765 13.306 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -15.671 -18.344 13.151 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -14.539 -19.177 14.242 1.00 0.00 H new ATOM 775 N ILE A 50 -12.229 -21.766 10.694 1.00 0.00 N ATOM 776 CA ILE A 50 -10.793 -21.937 10.874 1.00 0.00 C ATOM 777 C ILE A 50 -10.106 -20.597 11.115 1.00 0.00 C ATOM 778 O ILE A 50 -9.151 -20.507 11.886 1.00 0.00 O ATOM 779 CB ILE A 50 -10.149 -22.619 9.653 1.00 0.00 C ATOM 780 CG1 ILE A 50 -11.126 -22.633 8.475 1.00 0.00 C ATOM 781 CG2 ILE A 50 -9.715 -24.034 10.004 1.00 0.00 C ATOM 782 CD1 ILE A 50 -10.539 -23.215 7.209 1.00 0.00 C ATOM 0 H ILE A 50 -12.491 -21.270 9.842 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.659 -22.574 11.748 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.266 -22.050 9.362 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -12.010 -23.207 8.753 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.458 -21.614 8.277 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -9.262 -24.503 9.131 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -8.989 -24.001 10.816 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -10.583 -24.614 10.317 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.288 -23.193 6.417 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -9.673 -22.627 6.906 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.233 -24.245 7.390 1.00 0.00 H new ATOM 794 N ALA A 51 -10.600 -19.557 10.451 1.00 0.00 N ATOM 795 CA ALA A 51 -10.037 -18.221 10.596 1.00 0.00 C ATOM 796 C ALA A 51 -11.079 -17.150 10.295 1.00 0.00 C ATOM 797 O ALA A 51 -11.333 -16.825 9.135 1.00 0.00 O ATOM 798 CB ALA A 51 -8.829 -18.056 9.685 1.00 0.00 C ATOM 0 H ALA A 51 -11.389 -19.615 9.807 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.718 -18.099 11.631 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.418 -17.053 9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.070 -18.793 9.950 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.132 -18.204 8.648 1.00 0.00 H new ATOM 804 N ASP A 52 -11.682 -16.605 11.346 1.00 0.00 N ATOM 805 CA ASP A 52 -12.697 -15.570 11.194 1.00 0.00 C ATOM 806 C ASP A 52 -12.081 -14.181 11.324 1.00 0.00 C ATOM 807 O ASP A 52 -11.579 -13.809 12.385 1.00 0.00 O ATOM 808 CB ASP A 52 -13.801 -15.751 12.238 1.00 0.00 C ATOM 809 CG ASP A 52 -14.567 -14.469 12.499 1.00 0.00 C ATOM 810 OD1 ASP A 52 -15.386 -14.081 11.640 1.00 0.00 O ATOM 811 OD2 ASP A 52 -14.347 -13.854 13.563 1.00 0.00 O ATOM 0 H ASP A 52 -11.485 -16.863 12.313 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.130 -15.664 10.198 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.493 -16.522 11.900 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.361 -16.104 13.171 1.00 0.00 H new ATOM 816 N HIS A 53 -12.121 -13.417 10.237 1.00 0.00 N ATOM 817 CA HIS A 53 -11.566 -12.068 10.229 1.00 0.00 C ATOM 818 C HIS A 53 -12.651 -11.036 9.937 1.00 0.00 C ATOM 819 O HIS A 53 -12.520 -9.864 10.293 1.00 0.00 O ATOM 820 CB HIS A 53 -10.450 -11.960 9.189 1.00 0.00 C ATOM 821 CG HIS A 53 -9.079 -11.892 9.788 1.00 0.00 C ATOM 822 ND1 HIS A 53 -8.481 -10.708 10.168 1.00 0.00 N ATOM 823 CD2 HIS A 53 -8.188 -12.870 10.073 1.00 0.00 C ATOM 824 CE1 HIS A 53 -7.281 -10.962 10.659 1.00 0.00 C ATOM 825 NE2 HIS A 53 -7.079 -12.266 10.614 1.00 0.00 N ATOM 0 H HIS A 53 -12.532 -13.709 9.350 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.153 -11.865 11.217 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.503 -12.819 8.520 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.616 -11.071 8.580 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.324 -13.928 9.906 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.584 -10.227 11.034 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.237 -12.747 10.930 1.00 0.00 H new ATOM 833 N LEU A 54 -13.722 -11.478 9.287 1.00 0.00 N ATOM 834 CA LEU A 54 -14.830 -10.592 8.947 1.00 0.00 C ATOM 835 C LEU A 54 -15.863 -10.556 10.069 1.00 0.00 C ATOM 836 O LEU A 54 -16.811 -9.771 10.030 1.00 0.00 O ATOM 837 CB LEU A 54 -15.491 -11.047 7.644 1.00 0.00 C ATOM 838 CG LEU A 54 -14.575 -11.137 6.423 1.00 0.00 C ATOM 839 CD1 LEU A 54 -15.255 -11.908 5.302 1.00 0.00 C ATOM 840 CD2 LEU A 54 -14.178 -9.746 5.951 1.00 0.00 C ATOM 0 H LEU A 54 -13.847 -12.444 8.985 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.431 -9.586 8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -15.939 -12.027 7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -16.305 -10.359 7.413 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.671 -11.674 6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.589 -11.962 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.489 -12.916 5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.176 -11.399 5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -13.526 -9.829 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.072 -9.184 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.651 -9.227 6.751 1.00 0.00 H new ATOM 852 N LYS A 55 -15.672 -11.409 11.069 1.00 0.00 N ATOM 853 CA LYS A 55 -16.584 -11.474 12.205 1.00 0.00 C ATOM 854 C LYS A 55 -18.028 -11.623 11.735 1.00 0.00 C ATOM 855 O LYS A 55 -18.918 -10.910 12.200 1.00 0.00 O ATOM 856 CB LYS A 55 -16.445 -10.218 13.069 1.00 0.00 C ATOM 857 CG LYS A 55 -15.116 -10.128 13.800 1.00 0.00 C ATOM 858 CD LYS A 55 -14.849 -8.717 14.298 1.00 0.00 C ATOM 859 CE LYS A 55 -14.139 -7.880 13.246 1.00 0.00 C ATOM 860 NZ LYS A 55 -12.666 -8.096 13.266 1.00 0.00 N ATOM 0 H LYS A 55 -14.893 -12.066 11.116 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.322 -12.348 12.801 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.563 -9.338 12.437 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.254 -10.198 13.799 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -15.116 -10.819 14.643 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.311 -10.438 13.134 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.792 -8.241 14.568 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.242 -8.758 15.202 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.529 -8.130 12.259 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.354 -6.825 13.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.219 -7.508 12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.289 -7.834 14.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.459 -9.098 13.078 1.00 0.00 H new ATOM 874 N ILE A 56 -18.252 -12.554 10.815 1.00 0.00 N ATOM 875 CA ILE A 56 -19.588 -12.798 10.286 1.00 0.00 C ATOM 876 C ILE A 56 -20.444 -13.568 11.286 1.00 0.00 C ATOM 877 O ILE A 56 -21.569 -13.171 11.591 1.00 0.00 O ATOM 878 CB ILE A 56 -19.535 -13.584 8.962 1.00 0.00 C ATOM 879 CG1 ILE A 56 -18.493 -12.973 8.023 1.00 0.00 C ATOM 880 CG2 ILE A 56 -20.906 -13.602 8.302 1.00 0.00 C ATOM 881 CD1 ILE A 56 -18.304 -13.753 6.741 1.00 0.00 C ATOM 0 H ILE A 56 -17.526 -13.152 10.420 1.00 0.00 H new ATOM 0 HA ILE A 56 -20.037 -11.822 10.103 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.244 -14.612 9.177 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -18.790 -11.953 7.778 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.538 -12.910 8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -20.853 -14.161 7.368 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -21.625 -14.078 8.969 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.224 -12.580 8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -17.551 -13.262 6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.977 -14.766 6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -19.248 -13.794 6.198 1.00 0.00 H new ATOM 893 N PHE A 57 -19.902 -14.669 11.796 1.00 0.00 N ATOM 894 CA PHE A 57 -20.616 -15.494 12.764 1.00 0.00 C ATOM 895 C PHE A 57 -20.514 -14.900 14.165 1.00 0.00 C ATOM 896 O PHE A 57 -21.131 -15.396 15.109 1.00 0.00 O ATOM 897 CB PHE A 57 -20.057 -16.919 12.760 1.00 0.00 C ATOM 898 CG PHE A 57 -19.909 -17.501 11.383 1.00 0.00 C ATOM 899 CD1 PHE A 57 -21.011 -17.649 10.557 1.00 0.00 C ATOM 900 CD2 PHE A 57 -18.667 -17.900 10.916 1.00 0.00 C ATOM 901 CE1 PHE A 57 -20.878 -18.185 9.290 1.00 0.00 C ATOM 902 CE2 PHE A 57 -18.527 -18.436 9.649 1.00 0.00 C ATOM 903 CZ PHE A 57 -19.634 -18.578 8.835 1.00 0.00 C ATOM 0 H PHE A 57 -18.971 -15.010 11.555 1.00 0.00 H new ATOM 0 HA PHE A 57 -21.667 -15.522 12.476 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -19.085 -16.921 13.253 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -20.714 -17.560 13.348 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -21.985 -17.342 10.907 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -17.798 -17.791 11.549 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -21.745 -18.297 8.656 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -17.554 -18.743 9.296 1.00 0.00 H new ATOM 0 HZ PHE A 57 -19.527 -18.995 7.845 1.00 0.00 H new ATOM 913 N HIS A 58 -19.730 -13.834 14.294 1.00 0.00 N ATOM 914 CA HIS A 58 -19.546 -13.171 15.580 1.00 0.00 C ATOM 915 C HIS A 58 -20.886 -12.721 16.155 1.00 0.00 C ATOM 916 O HIS A 58 -21.097 -12.761 17.367 1.00 0.00 O ATOM 917 CB HIS A 58 -18.613 -11.970 15.430 1.00 0.00 C ATOM 918 CG HIS A 58 -18.053 -11.479 16.730 1.00 0.00 C ATOM 919 ND1 HIS A 58 -17.344 -10.303 16.848 1.00 0.00 N ATOM 920 CD2 HIS A 58 -18.103 -12.013 17.973 1.00 0.00 C ATOM 921 CE1 HIS A 58 -16.980 -10.135 18.107 1.00 0.00 C ATOM 922 NE2 HIS A 58 -17.429 -11.159 18.810 1.00 0.00 N ATOM 0 H HIS A 58 -19.212 -13.411 13.524 1.00 0.00 H new ATOM 0 HA HIS A 58 -19.096 -13.886 16.269 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -17.790 -12.240 14.769 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -19.156 -11.157 14.948 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -18.584 -12.939 18.254 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -16.412 -9.302 18.495 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -17.296 -11.293 19.812 1.00 0.00 H new ATOM 930 N ASP A 59 -21.786 -12.291 15.278 1.00 0.00 N ATOM 931 CA ASP A 59 -23.105 -11.833 15.698 1.00 0.00 C ATOM 932 C ASP A 59 -24.103 -12.988 15.711 1.00 0.00 C ATOM 933 O ASP A 59 -25.307 -12.780 15.866 1.00 0.00 O ATOM 934 CB ASP A 59 -23.603 -10.724 14.771 1.00 0.00 C ATOM 935 CG ASP A 59 -22.468 -9.915 14.174 1.00 0.00 C ATOM 936 OD1 ASP A 59 -21.852 -10.389 13.197 1.00 0.00 O ATOM 937 OD2 ASP A 59 -22.195 -8.809 14.685 1.00 0.00 O ATOM 0 H ASP A 59 -21.626 -12.250 14.271 1.00 0.00 H new ATOM 0 HA ASP A 59 -23.019 -11.438 16.710 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -24.193 -11.164 13.967 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -24.265 -10.060 15.327 1.00 0.00 H new ATOM 942 N HIS A 60 -23.594 -14.205 15.546 1.00 0.00 N ATOM 943 CA HIS A 60 -24.440 -15.393 15.539 1.00 0.00 C ATOM 944 C HIS A 60 -25.804 -15.084 14.929 1.00 0.00 C ATOM 945 O HIS A 60 -26.842 -15.407 15.507 1.00 0.00 O ATOM 946 CB HIS A 60 -24.614 -15.930 16.959 1.00 0.00 C ATOM 947 CG HIS A 60 -24.947 -14.871 17.964 1.00 0.00 C ATOM 948 ND1 HIS A 60 -26.089 -14.172 18.168 1.00 0.00 N flip ATOM 949 CD2 HIS A 60 -24.049 -14.419 18.908 1.00 0.00 C flip ATOM 950 CE1 HIS A 60 -25.862 -13.320 19.221 1.00 0.00 C flip ATOM 951 NE2 HIS A 60 -24.624 -13.489 19.650 1.00 0.00 N flip ATOM 0 H HIS A 60 -22.600 -14.394 15.415 1.00 0.00 H new ATOM 0 HA HIS A 60 -23.952 -16.153 14.929 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -25.404 -16.681 16.960 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -23.696 -16.432 17.264 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -23.034 -14.770 19.023 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -26.579 -12.625 19.632 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -24.186 -12.987 20.423 1.00 0.00 H new ATOM 959 N HIS A 61 -25.795 -14.456 13.757 1.00 0.00 N ATOM 960 CA HIS A 61 -27.031 -14.104 13.068 1.00 0.00 C ATOM 961 C HIS A 61 -26.966 -14.502 11.597 1.00 0.00 C ATOM 962 O HIS A 61 -27.830 -14.129 10.803 1.00 0.00 O ATOM 963 CB HIS A 61 -27.298 -12.603 13.191 1.00 0.00 C ATOM 964 CG HIS A 61 -28.340 -12.262 14.212 1.00 0.00 C ATOM 965 ND1 HIS A 61 -29.532 -11.648 13.895 1.00 0.00 N ATOM 966 CD2 HIS A 61 -28.362 -12.455 15.552 1.00 0.00 C ATOM 967 CE1 HIS A 61 -30.243 -11.475 14.995 1.00 0.00 C ATOM 968 NE2 HIS A 61 -29.556 -11.957 16.015 1.00 0.00 N ATOM 0 H HIS A 61 -24.945 -14.181 13.265 1.00 0.00 H new ATOM 0 HA HIS A 61 -27.848 -14.651 13.538 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -26.368 -12.097 13.450 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -27.612 -12.217 12.221 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -27.586 -12.915 16.146 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -31.220 -11.017 15.051 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -29.862 -11.959 16.988 1.00 0.00 H new ATOM 976 N VAL A 62 -25.936 -15.262 11.239 1.00 0.00 N ATOM 977 CA VAL A 62 -25.758 -15.711 9.864 1.00 0.00 C ATOM 978 C VAL A 62 -25.366 -17.183 9.813 1.00 0.00 C ATOM 979 O VAL A 62 -24.558 -17.651 10.616 1.00 0.00 O ATOM 980 CB VAL A 62 -24.685 -14.879 9.136 1.00 0.00 C ATOM 981 CG1 VAL A 62 -23.342 -15.010 9.837 1.00 0.00 C ATOM 982 CG2 VAL A 62 -24.579 -15.305 7.679 1.00 0.00 C ATOM 0 H VAL A 62 -25.212 -15.580 11.883 1.00 0.00 H new ATOM 0 HA VAL A 62 -26.715 -15.576 9.360 1.00 0.00 H new ATOM 0 HB VAL A 62 -24.982 -13.831 9.164 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -22.596 -14.416 9.309 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -23.431 -14.653 10.863 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -23.035 -16.056 9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -23.817 -14.707 7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -24.305 -16.359 7.627 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -25.539 -15.155 7.185 1.00 0.00 H new ATOM 992 N THR A 63 -25.943 -17.911 8.862 1.00 0.00 N ATOM 993 CA THR A 63 -25.655 -19.331 8.705 1.00 0.00 C ATOM 994 C THR A 63 -24.701 -19.574 7.541 1.00 0.00 C ATOM 995 O THR A 63 -24.571 -18.737 6.647 1.00 0.00 O ATOM 996 CB THR A 63 -26.943 -20.145 8.477 1.00 0.00 C ATOM 997 OG1 THR A 63 -26.617 -21.457 8.007 1.00 0.00 O ATOM 998 CG2 THR A 63 -27.850 -19.451 7.472 1.00 0.00 C ATOM 0 H THR A 63 -26.613 -17.540 8.188 1.00 0.00 H new ATOM 0 HA THR A 63 -25.185 -19.661 9.631 1.00 0.00 H new ATOM 0 HB THR A 63 -27.471 -20.222 9.427 1.00 0.00 H new ATOM 0 HG1 THR A 63 -27.421 -22.018 8.018 1.00 0.00 H new ATOM 0 HG21 THR A 63 -28.753 -20.044 7.327 1.00 0.00 H new ATOM 0 HG22 THR A 63 -28.120 -18.464 7.847 1.00 0.00 H new ATOM 0 HG23 THR A 63 -27.327 -19.347 6.521 1.00 0.00 H new ATOM 1006 N VAL A 64 -24.036 -20.725 7.556 1.00 0.00 N ATOM 1007 CA VAL A 64 -23.096 -21.078 6.499 1.00 0.00 C ATOM 1008 C VAL A 64 -23.764 -21.030 5.130 1.00 0.00 C ATOM 1009 O VAL A 64 -23.196 -20.510 4.170 1.00 0.00 O ATOM 1010 CB VAL A 64 -22.505 -22.484 6.721 1.00 0.00 C ATOM 1011 CG1 VAL A 64 -21.536 -22.838 5.603 1.00 0.00 C ATOM 1012 CG2 VAL A 64 -21.821 -22.566 8.077 1.00 0.00 C ATOM 0 H VAL A 64 -24.131 -21.429 8.288 1.00 0.00 H new ATOM 0 HA VAL A 64 -22.291 -20.343 6.533 1.00 0.00 H new ATOM 0 HB VAL A 64 -23.319 -23.208 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -21.129 -23.834 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -22.061 -22.822 4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -20.723 -22.112 5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -21.409 -23.566 8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -21.016 -21.832 8.123 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -22.547 -22.359 8.864 1.00 0.00 H new ATOM 1022 N GLU A 65 -24.974 -21.575 5.048 1.00 0.00 N ATOM 1023 CA GLU A 65 -25.719 -21.594 3.795 1.00 0.00 C ATOM 1024 C GLU A 65 -25.943 -20.177 3.273 1.00 0.00 C ATOM 1025 O GLU A 65 -25.886 -19.933 2.069 1.00 0.00 O ATOM 1026 CB GLU A 65 -27.065 -22.297 3.987 1.00 0.00 C ATOM 1027 CG GLU A 65 -27.998 -21.575 4.944 1.00 0.00 C ATOM 1028 CD GLU A 65 -29.309 -22.308 5.146 1.00 0.00 C ATOM 1029 OE1 GLU A 65 -29.827 -22.880 4.164 1.00 0.00 O ATOM 1030 OE2 GLU A 65 -29.817 -22.311 6.287 1.00 0.00 O ATOM 0 H GLU A 65 -25.458 -22.009 5.834 1.00 0.00 H new ATOM 0 HA GLU A 65 -25.131 -22.144 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -27.556 -22.394 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -26.888 -23.307 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -27.502 -21.454 5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -28.201 -20.574 4.562 1.00 0.00 H new ATOM 1037 N GLN A 66 -26.197 -19.249 4.190 1.00 0.00 N ATOM 1038 CA GLN A 66 -26.430 -17.857 3.823 1.00 0.00 C ATOM 1039 C GLN A 66 -25.192 -17.251 3.171 1.00 0.00 C ATOM 1040 O GLN A 66 -25.292 -16.506 2.195 1.00 0.00 O ATOM 1041 CB GLN A 66 -26.823 -17.041 5.055 1.00 0.00 C ATOM 1042 CG GLN A 66 -28.315 -17.062 5.348 1.00 0.00 C ATOM 1043 CD GLN A 66 -29.051 -15.902 4.707 1.00 0.00 C ATOM 1044 OE1 GLN A 66 -29.904 -16.096 3.840 1.00 0.00 O ATOM 1045 NE2 GLN A 66 -28.726 -14.687 5.132 1.00 0.00 N ATOM 0 H GLN A 66 -26.247 -19.436 5.192 1.00 0.00 H new ATOM 0 HA GLN A 66 -27.248 -17.830 3.103 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -26.285 -17.425 5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -26.503 -16.009 4.914 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -28.739 -18.000 4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -28.470 -17.035 6.427 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -28.013 -14.572 5.853 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -29.189 -13.868 4.738 1.00 0.00 H new ATOM 1054 N LEU A 67 -24.024 -17.575 3.716 1.00 0.00 N ATOM 1055 CA LEU A 67 -22.765 -17.062 3.188 1.00 0.00 C ATOM 1056 C LEU A 67 -22.603 -17.426 1.716 1.00 0.00 C ATOM 1057 O LEU A 67 -22.152 -16.612 0.911 1.00 0.00 O ATOM 1058 CB LEU A 67 -21.588 -17.615 3.994 1.00 0.00 C ATOM 1059 CG LEU A 67 -20.999 -16.678 5.050 1.00 0.00 C ATOM 1060 CD1 LEU A 67 -21.999 -16.442 6.172 1.00 0.00 C ATOM 1061 CD2 LEU A 67 -19.700 -17.247 5.602 1.00 0.00 C ATOM 0 H LEU A 67 -23.923 -18.190 4.523 1.00 0.00 H new ATOM 0 HA LEU A 67 -22.779 -15.976 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -21.911 -18.531 4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -20.795 -17.891 3.299 1.00 0.00 H new ATOM 0 HG LEU A 67 -20.782 -15.720 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.562 -15.773 6.914 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -22.904 -15.991 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.248 -17.393 6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.295 -16.568 6.352 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -19.893 -18.218 6.058 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -18.980 -17.364 4.792 1.00 0.00 H new ATOM 1073 N MET A 68 -22.976 -18.654 1.371 1.00 0.00 N ATOM 1074 CA MET A 68 -22.875 -19.125 -0.005 1.00 0.00 C ATOM 1075 C MET A 68 -23.877 -18.403 -0.901 1.00 0.00 C ATOM 1076 O MET A 68 -23.593 -18.120 -2.065 1.00 0.00 O ATOM 1077 CB MET A 68 -23.113 -20.635 -0.069 1.00 0.00 C ATOM 1078 CG MET A 68 -22.307 -21.420 0.953 1.00 0.00 C ATOM 1079 SD MET A 68 -22.131 -23.159 0.511 1.00 0.00 S ATOM 1080 CE MET A 68 -22.396 -23.941 2.100 1.00 0.00 C ATOM 0 H MET A 68 -23.351 -19.341 2.025 1.00 0.00 H new ATOM 0 HA MET A 68 -21.869 -18.907 -0.364 1.00 0.00 H new ATOM 0 HB2 MET A 68 -24.173 -20.834 0.086 1.00 0.00 H new ATOM 0 HB3 MET A 68 -22.864 -20.992 -1.068 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.318 -20.972 1.052 1.00 0.00 H new ATOM 0 HG3 MET A 68 -22.790 -21.344 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 68 -22.723 -24.970 1.949 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.466 -23.935 2.668 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.161 -23.395 2.651 1.00 0.00 H new ATOM 1090 N LYS A 69 -25.050 -18.108 -0.352 1.00 0.00 N ATOM 1091 CA LYS A 69 -26.094 -17.418 -1.101 1.00 0.00 C ATOM 1092 C LYS A 69 -25.624 -16.036 -1.543 1.00 0.00 C ATOM 1093 O LYS A 69 -25.983 -15.563 -2.621 1.00 0.00 O ATOM 1094 CB LYS A 69 -27.360 -17.290 -0.250 1.00 0.00 C ATOM 1095 CG LYS A 69 -28.399 -18.359 -0.541 1.00 0.00 C ATOM 1096 CD LYS A 69 -28.079 -19.658 0.178 1.00 0.00 C ATOM 1097 CE LYS A 69 -29.066 -20.756 -0.188 1.00 0.00 C ATOM 1098 NZ LYS A 69 -28.463 -22.111 -0.054 1.00 0.00 N ATOM 0 H LYS A 69 -25.302 -18.336 0.610 1.00 0.00 H new ATOM 0 HA LYS A 69 -26.319 -18.007 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -27.086 -17.339 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -27.803 -16.309 -0.419 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -29.383 -18.005 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -28.446 -18.539 -1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -27.068 -19.976 -0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -28.099 -19.493 1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -29.944 -20.684 0.454 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -29.408 -20.610 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -29.167 -22.831 -0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -27.640 -22.189 -0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -28.160 -22.260 0.930 1.00 0.00 H new ATOM 1112 N ALA A 70 -24.818 -15.394 -0.703 1.00 0.00 N ATOM 1113 CA ALA A 70 -24.296 -14.068 -1.010 1.00 0.00 C ATOM 1114 C ALA A 70 -23.346 -14.113 -2.202 1.00 0.00 C ATOM 1115 O ALA A 70 -23.197 -13.131 -2.926 1.00 0.00 O ATOM 1116 CB ALA A 70 -23.592 -13.484 0.206 1.00 0.00 C ATOM 0 H ALA A 70 -24.513 -15.771 0.194 1.00 0.00 H new ATOM 0 HA ALA A 70 -25.137 -13.426 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -23.207 -12.494 -0.037 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -24.298 -13.406 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -22.766 -14.134 0.495 1.00 0.00 H new ATOM 1122 N ASN A 71 -22.706 -15.261 -2.398 1.00 0.00 N ATOM 1123 CA ASN A 71 -21.769 -15.434 -3.502 1.00 0.00 C ATOM 1124 C ASN A 71 -22.505 -15.796 -4.789 1.00 0.00 C ATOM 1125 O ASN A 71 -22.273 -15.198 -5.839 1.00 0.00 O ATOM 1126 CB ASN A 71 -20.745 -16.520 -3.165 1.00 0.00 C ATOM 1127 CG ASN A 71 -19.509 -15.959 -2.489 1.00 0.00 C ATOM 1128 OD1 ASN A 71 -19.375 -16.019 -1.266 1.00 0.00 O ATOM 1129 ND2 ASN A 71 -18.598 -15.409 -3.284 1.00 0.00 N ATOM 0 H ASN A 71 -22.819 -16.085 -1.807 1.00 0.00 H new ATOM 0 HA ASN A 71 -21.249 -14.488 -3.655 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -21.207 -17.262 -2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -20.453 -17.037 -4.079 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -17.746 -15.014 -2.886 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -18.751 -15.381 -4.292 1.00 0.00 H new ATOM 1136 N GLY A 72 -23.395 -16.780 -4.698 1.00 0.00 N ATOM 1137 CA GLY A 72 -24.152 -17.204 -5.861 1.00 0.00 C ATOM 1138 C GLY A 72 -24.245 -18.713 -5.974 1.00 0.00 C ATOM 1139 O GLY A 72 -25.120 -19.238 -6.662 1.00 0.00 O ATOM 0 H GLY A 72 -23.605 -17.290 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -25.157 -16.784 -5.810 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -23.685 -16.804 -6.761 1.00 0.00 H new ATOM 1143 N GLU A 73 -23.338 -19.412 -5.297 1.00 0.00 N ATOM 1144 CA GLU A 73 -23.321 -20.870 -5.327 1.00 0.00 C ATOM 1145 C GLU A 73 -24.367 -21.446 -4.377 1.00 0.00 C ATOM 1146 O GLU A 73 -24.442 -21.058 -3.211 1.00 0.00 O ATOM 1147 CB GLU A 73 -21.933 -21.393 -4.952 1.00 0.00 C ATOM 1148 CG GLU A 73 -20.850 -21.016 -5.950 1.00 0.00 C ATOM 1149 CD GLU A 73 -20.759 -21.989 -7.108 1.00 0.00 C ATOM 1150 OE1 GLU A 73 -21.541 -22.963 -7.129 1.00 0.00 O ATOM 1151 OE2 GLU A 73 -19.906 -21.777 -7.995 1.00 0.00 O ATOM 0 H GLU A 73 -22.607 -18.993 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 73 -23.561 -21.190 -6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -21.661 -21.006 -3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -21.974 -22.479 -4.866 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -21.049 -20.016 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -19.888 -20.975 -5.438 1.00 0.00 H new ATOM 1158 N GLN A 74 -25.173 -22.373 -4.885 1.00 0.00 N ATOM 1159 CA GLN A 74 -26.215 -23.002 -4.083 1.00 0.00 C ATOM 1160 C GLN A 74 -25.780 -24.385 -3.612 1.00 0.00 C ATOM 1161 O GLN A 74 -26.167 -24.836 -2.534 1.00 0.00 O ATOM 1162 CB GLN A 74 -27.513 -23.108 -4.886 1.00 0.00 C ATOM 1163 CG GLN A 74 -27.325 -23.719 -6.266 1.00 0.00 C ATOM 1164 CD GLN A 74 -27.001 -22.683 -7.324 1.00 0.00 C ATOM 1165 OE1 GLN A 74 -27.188 -21.484 -7.114 1.00 0.00 O ATOM 1166 NE2 GLN A 74 -26.511 -23.141 -8.470 1.00 0.00 N ATOM 0 H GLN A 74 -25.124 -22.705 -5.848 1.00 0.00 H new ATOM 0 HA GLN A 74 -26.389 -22.378 -3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -28.229 -23.709 -4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -27.946 -22.114 -4.994 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -26.523 -24.456 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -28.233 -24.251 -6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -26.372 -24.143 -8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -26.273 -22.491 -9.219 1.00 0.00 H new ATOM 1175 N VAL A 75 -24.973 -25.056 -4.428 1.00 0.00 N ATOM 1176 CA VAL A 75 -24.484 -26.389 -4.095 1.00 0.00 C ATOM 1177 C VAL A 75 -23.560 -26.348 -2.883 1.00 0.00 C ATOM 1178 O VAL A 75 -22.876 -25.353 -2.644 1.00 0.00 O ATOM 1179 CB VAL A 75 -23.731 -27.023 -5.279 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -22.460 -26.243 -5.583 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -23.415 -28.482 -4.989 1.00 0.00 C ATOM 0 H VAL A 75 -24.644 -24.698 -5.325 1.00 0.00 H new ATOM 0 HA VAL A 75 -25.358 -26.998 -3.862 1.00 0.00 H new ATOM 0 HB VAL A 75 -24.373 -26.982 -6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.941 -26.706 -6.422 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -22.716 -25.214 -5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -21.811 -26.249 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -22.883 -28.914 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -22.792 -28.549 -4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -24.343 -29.030 -4.826 1.00 0.00 H new ATOM 1191 N SER A 76 -23.546 -27.436 -2.120 1.00 0.00 N ATOM 1192 CA SER A 76 -22.708 -27.525 -0.929 1.00 0.00 C ATOM 1193 C SER A 76 -21.578 -28.528 -1.134 1.00 0.00 C ATOM 1194 O SER A 76 -20.426 -28.259 -0.793 1.00 0.00 O ATOM 1195 CB SER A 76 -23.550 -27.927 0.283 1.00 0.00 C ATOM 1196 OG SER A 76 -22.826 -27.748 1.488 1.00 0.00 O ATOM 0 H SER A 76 -24.105 -28.269 -2.305 1.00 0.00 H new ATOM 0 HA SER A 76 -22.270 -26.543 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 76 -24.462 -27.330 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 76 -23.854 -28.969 0.189 1.00 0.00 H new ATOM 0 HG SER A 76 -23.386 -28.010 2.248 1.00 0.00 H new ATOM 1202 N GLN A 77 -21.917 -29.686 -1.692 1.00 0.00 N ATOM 1203 CA GLN A 77 -20.930 -30.731 -1.941 1.00 0.00 C ATOM 1204 C GLN A 77 -20.242 -30.520 -3.286 1.00 0.00 C ATOM 1205 O GLN A 77 -20.447 -31.289 -4.226 1.00 0.00 O ATOM 1206 CB GLN A 77 -21.595 -32.108 -1.905 1.00 0.00 C ATOM 1207 CG GLN A 77 -22.292 -32.413 -0.588 1.00 0.00 C ATOM 1208 CD GLN A 77 -21.323 -32.828 0.502 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -20.983 -34.004 0.632 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -20.873 -31.861 1.293 1.00 0.00 N ATOM 0 H GLN A 77 -22.866 -29.924 -1.980 1.00 0.00 H new ATOM 0 HA GLN A 77 -20.176 -30.679 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -22.322 -32.173 -2.715 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -20.840 -32.872 -2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -22.845 -31.532 -0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -23.021 -33.208 -0.743 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -21.181 -30.899 1.149 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -20.219 -32.080 2.044 1.00 0.00 H new ATOM 1219 N ASP A 78 -19.427 -29.475 -3.370 1.00 0.00 N ATOM 1220 CA ASP A 78 -18.708 -29.164 -4.600 1.00 0.00 C ATOM 1221 C ASP A 78 -17.244 -28.849 -4.309 1.00 0.00 C ATOM 1222 O ASP A 78 -16.341 -29.484 -4.854 1.00 0.00 O ATOM 1223 CB ASP A 78 -19.364 -27.981 -5.314 1.00 0.00 C ATOM 1224 CG ASP A 78 -18.828 -27.784 -6.719 1.00 0.00 C ATOM 1225 OD1 ASP A 78 -18.353 -28.771 -7.316 1.00 0.00 O ATOM 1226 OD2 ASP A 78 -18.884 -26.641 -7.220 1.00 0.00 O ATOM 0 H ASP A 78 -19.247 -28.829 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 78 -18.751 -30.039 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -20.442 -28.139 -5.358 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -19.198 -27.073 -4.734 1.00 0.00 H new ATOM 1231 N VAL A 79 -17.016 -27.864 -3.446 1.00 0.00 N ATOM 1232 CA VAL A 79 -15.661 -27.465 -3.082 1.00 0.00 C ATOM 1233 C VAL A 79 -15.330 -27.883 -1.654 1.00 0.00 C ATOM 1234 O VAL A 79 -14.168 -28.101 -1.313 1.00 0.00 O ATOM 1235 CB VAL A 79 -15.469 -25.943 -3.217 1.00 0.00 C ATOM 1236 CG1 VAL A 79 -15.386 -25.543 -4.682 1.00 0.00 C ATOM 1237 CG2 VAL A 79 -16.597 -25.200 -2.516 1.00 0.00 C ATOM 0 H VAL A 79 -17.752 -27.328 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 79 -14.986 -27.972 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 79 -14.530 -25.669 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -15.250 -24.464 -4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -14.541 -26.049 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -16.307 -25.829 -5.190 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -16.446 -24.126 -2.621 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -17.550 -25.478 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -16.604 -25.464 -1.458 1.00 0.00 H new ATOM 1247 N GLY A 80 -16.361 -27.995 -0.821 1.00 0.00 N ATOM 1248 CA GLY A 80 -16.159 -28.387 0.561 1.00 0.00 C ATOM 1249 C GLY A 80 -15.337 -27.377 1.337 1.00 0.00 C ATOM 1250 O GLY A 80 -14.787 -27.693 2.392 1.00 0.00 O ATOM 0 H GLY A 80 -17.332 -27.821 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.128 -28.511 1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.661 -29.356 0.591 1.00 0.00 H new ATOM 1254 N ASP A 81 -15.251 -26.160 0.812 1.00 0.00 N ATOM 1255 CA ASP A 81 -14.489 -25.099 1.462 1.00 0.00 C ATOM 1256 C ASP A 81 -14.670 -23.773 0.730 1.00 0.00 C ATOM 1257 O ASP A 81 -14.459 -23.686 -0.481 1.00 0.00 O ATOM 1258 CB ASP A 81 -13.006 -25.468 1.516 1.00 0.00 C ATOM 1259 CG ASP A 81 -12.342 -25.401 0.155 1.00 0.00 C ATOM 1260 OD1 ASP A 81 -11.876 -24.306 -0.224 1.00 0.00 O ATOM 1261 OD2 ASP A 81 -12.290 -26.443 -0.532 1.00 0.00 O ATOM 0 H ASP A 81 -15.699 -25.883 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.865 -24.986 2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.492 -24.794 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -12.900 -26.475 1.920 1.00 0.00 H new ATOM 1266 N LEU A 82 -15.063 -22.743 1.471 1.00 0.00 N ATOM 1267 CA LEU A 82 -15.273 -21.421 0.892 1.00 0.00 C ATOM 1268 C LEU A 82 -14.292 -20.409 1.475 1.00 0.00 C ATOM 1269 O LEU A 82 -13.669 -20.657 2.507 1.00 0.00 O ATOM 1270 CB LEU A 82 -16.709 -20.956 1.140 1.00 0.00 C ATOM 1271 CG LEU A 82 -17.217 -21.084 2.577 1.00 0.00 C ATOM 1272 CD1 LEU A 82 -16.662 -19.961 3.441 1.00 0.00 C ATOM 1273 CD2 LEU A 82 -18.738 -21.080 2.607 1.00 0.00 C ATOM 0 H LEU A 82 -15.243 -22.798 2.474 1.00 0.00 H new ATOM 0 HA LEU A 82 -15.100 -21.491 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -16.788 -19.911 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -17.372 -21.526 0.489 1.00 0.00 H new ATOM 0 HG LEU A 82 -16.868 -22.034 2.983 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -17.034 -20.068 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -15.573 -20.009 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -16.981 -19.000 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -19.082 -21.172 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -19.108 -20.146 2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -19.116 -21.919 2.022 1.00 0.00 H new ATOM 1285 N GLU A 83 -14.161 -19.267 0.807 1.00 0.00 N ATOM 1286 CA GLU A 83 -13.256 -18.217 1.260 1.00 0.00 C ATOM 1287 C GLU A 83 -13.885 -16.839 1.075 1.00 0.00 C ATOM 1288 O GLU A 83 -14.568 -16.584 0.083 1.00 0.00 O ATOM 1289 CB GLU A 83 -11.931 -18.291 0.499 1.00 0.00 C ATOM 1290 CG GLU A 83 -12.099 -18.506 -0.996 1.00 0.00 C ATOM 1291 CD GLU A 83 -12.238 -19.971 -1.363 1.00 0.00 C ATOM 1292 OE1 GLU A 83 -11.599 -20.812 -0.696 1.00 0.00 O ATOM 1293 OE2 GLU A 83 -12.984 -20.276 -2.316 1.00 0.00 O ATOM 0 H GLU A 83 -14.670 -19.046 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.066 -18.371 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.375 -17.368 0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.331 -19.103 0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.980 -17.964 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.240 -18.084 -1.519 1.00 0.00 H new ATOM 1300 N PHE A 84 -13.650 -15.954 2.038 1.00 0.00 N ATOM 1301 CA PHE A 84 -14.194 -14.602 1.983 1.00 0.00 C ATOM 1302 C PHE A 84 -13.099 -13.565 2.215 1.00 0.00 C ATOM 1303 O PHE A 84 -12.384 -13.617 3.215 1.00 0.00 O ATOM 1304 CB PHE A 84 -15.302 -14.433 3.025 1.00 0.00 C ATOM 1305 CG PHE A 84 -16.601 -15.073 2.628 1.00 0.00 C ATOM 1306 CD1 PHE A 84 -16.777 -16.443 2.741 1.00 0.00 C ATOM 1307 CD2 PHE A 84 -17.647 -14.305 2.141 1.00 0.00 C ATOM 1308 CE1 PHE A 84 -17.972 -17.035 2.377 1.00 0.00 C ATOM 1309 CE2 PHE A 84 -18.844 -14.892 1.776 1.00 0.00 C ATOM 1310 CZ PHE A 84 -19.006 -16.258 1.893 1.00 0.00 C ATOM 0 H PHE A 84 -13.087 -16.149 2.866 1.00 0.00 H new ATOM 0 HA PHE A 84 -14.613 -14.446 0.989 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -14.969 -14.862 3.970 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -15.468 -13.370 3.198 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -15.971 -17.055 3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -17.525 -13.236 2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -18.097 -18.104 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -19.652 -14.282 1.399 1.00 0.00 H new ATOM 0 HZ PHE A 84 -19.940 -16.718 1.606 1.00 0.00 H new ATOM 1320 N GLU A 85 -12.976 -12.625 1.284 1.00 0.00 N ATOM 1321 CA GLU A 85 -11.967 -11.577 1.386 1.00 0.00 C ATOM 1322 C GLU A 85 -12.612 -10.230 1.703 1.00 0.00 C ATOM 1323 O GLU A 85 -11.939 -9.293 2.133 1.00 0.00 O ATOM 1324 CB GLU A 85 -11.168 -11.478 0.085 1.00 0.00 C ATOM 1325 CG GLU A 85 -10.804 -12.828 -0.509 1.00 0.00 C ATOM 1326 CD GLU A 85 -11.851 -13.341 -1.479 1.00 0.00 C ATOM 1327 OE1 GLU A 85 -12.048 -12.699 -2.532 1.00 0.00 O ATOM 1328 OE2 GLU A 85 -12.472 -14.383 -1.185 1.00 0.00 O ATOM 0 H GLU A 85 -13.562 -12.567 0.451 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.291 -11.838 2.200 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.747 -10.913 -0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.254 -10.914 0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -9.846 -12.748 -1.023 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.674 -13.552 0.296 1.00 0.00 H new ATOM 1335 N ASP A 86 -13.920 -10.142 1.487 1.00 0.00 N ATOM 1336 CA ASP A 86 -14.657 -8.912 1.750 1.00 0.00 C ATOM 1337 C ASP A 86 -16.161 -9.153 1.677 1.00 0.00 C ATOM 1338 O ASP A 86 -16.739 -9.212 0.591 1.00 0.00 O ATOM 1339 CB ASP A 86 -14.253 -7.827 0.750 1.00 0.00 C ATOM 1340 CG ASP A 86 -13.177 -6.909 1.295 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -13.395 -6.311 2.369 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -12.116 -6.788 0.646 1.00 0.00 O ATOM 0 H ASP A 86 -14.491 -10.908 1.130 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.410 -8.578 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -13.896 -8.297 -0.167 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.130 -7.237 0.485 1.00 0.00 H new ATOM 1347 N ILE A 87 -16.790 -9.293 2.840 1.00 0.00 N ATOM 1348 CA ILE A 87 -18.227 -9.528 2.907 1.00 0.00 C ATOM 1349 C ILE A 87 -18.997 -8.442 2.165 1.00 0.00 C ATOM 1350 O ILE A 87 -18.534 -7.311 2.013 1.00 0.00 O ATOM 1351 CB ILE A 87 -18.720 -9.587 4.365 1.00 0.00 C ATOM 1352 CG1 ILE A 87 -18.211 -8.374 5.147 1.00 0.00 C ATOM 1353 CG2 ILE A 87 -18.266 -10.879 5.027 1.00 0.00 C ATOM 1354 CD1 ILE A 87 -18.741 -8.302 6.562 1.00 0.00 C ATOM 0 H ILE A 87 -16.327 -9.248 3.748 1.00 0.00 H new ATOM 0 HA ILE A 87 -18.412 -10.491 2.430 1.00 0.00 H new ATOM 0 HB ILE A 87 -19.810 -9.566 4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -17.122 -8.402 5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -18.492 -7.465 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.623 -10.905 6.057 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.672 -11.730 4.481 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.177 -10.929 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -18.339 -7.418 7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -19.829 -8.243 6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -18.437 -9.194 7.110 1.00 0.00 H new ATOM 1366 N PRO A 88 -20.203 -8.790 1.692 1.00 0.00 N ATOM 1367 CA PRO A 88 -21.065 -7.858 0.959 1.00 0.00 C ATOM 1368 C PRO A 88 -21.625 -6.759 1.856 1.00 0.00 C ATOM 1369 O PRO A 88 -21.201 -6.604 3.002 1.00 0.00 O ATOM 1370 CB PRO A 88 -22.194 -8.752 0.440 1.00 0.00 C ATOM 1371 CG PRO A 88 -22.237 -9.898 1.391 1.00 0.00 C ATOM 1372 CD PRO A 88 -20.818 -10.120 1.836 1.00 0.00 C ATOM 0 HA PRO A 88 -20.522 -7.334 0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -23.144 -8.218 0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -21.996 -9.089 -0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -22.882 -9.676 2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -22.639 -10.790 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -20.771 -10.475 2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -20.315 -10.864 1.219 1.00 0.00 H new ATOM 1380 N ASP A 89 -22.580 -6.001 1.329 1.00 0.00 N ATOM 1381 CA ASP A 89 -23.200 -4.917 2.083 1.00 0.00 C ATOM 1382 C ASP A 89 -24.609 -5.299 2.525 1.00 0.00 C ATOM 1383 O ASP A 89 -25.143 -4.740 3.482 1.00 0.00 O ATOM 1384 CB ASP A 89 -23.244 -3.641 1.241 1.00 0.00 C ATOM 1385 CG ASP A 89 -24.390 -3.642 0.249 1.00 0.00 C ATOM 1386 OD1 ASP A 89 -24.620 -4.689 -0.391 1.00 0.00 O ATOM 1387 OD2 ASP A 89 -25.058 -2.595 0.112 1.00 0.00 O ATOM 0 H ASP A 89 -22.942 -6.117 0.382 1.00 0.00 H new ATOM 0 HA ASP A 89 -22.597 -4.735 2.972 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -23.338 -2.778 1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -22.302 -3.531 0.704 1.00 0.00 H new ATOM 1392 N SER A 90 -25.206 -6.254 1.820 1.00 0.00 N ATOM 1393 CA SER A 90 -26.555 -6.708 2.136 1.00 0.00 C ATOM 1394 C SER A 90 -26.558 -7.568 3.396 1.00 0.00 C ATOM 1395 O SER A 90 -27.538 -7.595 4.141 1.00 0.00 O ATOM 1396 CB SER A 90 -27.138 -7.499 0.963 1.00 0.00 C ATOM 1397 OG SER A 90 -28.231 -8.298 1.380 1.00 0.00 O ATOM 0 H SER A 90 -24.777 -6.729 1.026 1.00 0.00 H new ATOM 0 HA SER A 90 -27.174 -5.829 2.316 1.00 0.00 H new ATOM 0 HB2 SER A 90 -27.463 -6.811 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 90 -26.365 -8.133 0.528 1.00 0.00 H new ATOM 0 HG SER A 90 -28.587 -8.792 0.612 1.00 0.00 H new ATOM 1403 N LEU A 91 -25.455 -8.271 3.627 1.00 0.00 N ATOM 1404 CA LEU A 91 -25.328 -9.133 4.796 1.00 0.00 C ATOM 1405 C LEU A 91 -25.028 -8.314 6.047 1.00 0.00 C ATOM 1406 O LEU A 91 -25.759 -8.380 7.036 1.00 0.00 O ATOM 1407 CB LEU A 91 -24.223 -10.168 4.574 1.00 0.00 C ATOM 1408 CG LEU A 91 -24.495 -11.218 3.497 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -23.327 -12.187 3.389 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -25.785 -11.967 3.795 1.00 0.00 C ATOM 0 H LEU A 91 -24.635 -8.261 3.020 1.00 0.00 H new ATOM 0 HA LEU A 91 -26.277 -9.649 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -23.305 -9.640 4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -24.040 -10.683 5.517 1.00 0.00 H new ATOM 0 HG LEU A 91 -24.608 -10.708 2.540 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -23.539 -12.927 2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -22.422 -11.638 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -23.182 -12.690 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -25.962 -12.710 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -25.702 -12.465 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -26.617 -11.263 3.820 1.00 0.00 H new ATOM 1422 N LYS A 92 -23.950 -7.540 5.997 1.00 0.00 N ATOM 1423 CA LYS A 92 -23.554 -6.703 7.124 1.00 0.00 C ATOM 1424 C LYS A 92 -24.720 -5.842 7.599 1.00 0.00 C ATOM 1425 O LYS A 92 -24.810 -5.496 8.777 1.00 0.00 O ATOM 1426 CB LYS A 92 -22.373 -5.812 6.734 1.00 0.00 C ATOM 1427 CG LYS A 92 -22.757 -4.657 5.825 1.00 0.00 C ATOM 1428 CD LYS A 92 -21.536 -3.872 5.376 1.00 0.00 C ATOM 1429 CE LYS A 92 -21.930 -2.559 4.716 1.00 0.00 C ATOM 1430 NZ LYS A 92 -22.082 -1.462 5.712 1.00 0.00 N ATOM 0 H LYS A 92 -23.334 -7.474 5.187 1.00 0.00 H new ATOM 0 HA LYS A 92 -23.252 -7.357 7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -21.914 -5.414 7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -21.619 -6.421 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -23.286 -5.040 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -23.445 -3.993 6.349 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -20.895 -3.671 6.235 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -20.953 -4.472 4.677 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -21.174 -2.281 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -22.867 -2.691 4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -22.351 -0.584 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -22.821 -1.716 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -21.181 -1.318 6.211 1.00 0.00 H new ATOM 1444 N ASP A 93 -25.612 -5.501 6.675 1.00 0.00 N ATOM 1445 CA ASP A 93 -26.774 -4.682 6.999 1.00 0.00 C ATOM 1446 C ASP A 93 -27.594 -5.321 8.116 1.00 0.00 C ATOM 1447 O ASP A 93 -27.989 -4.653 9.071 1.00 0.00 O ATOM 1448 CB ASP A 93 -27.646 -4.483 5.759 1.00 0.00 C ATOM 1449 CG ASP A 93 -29.043 -4.004 6.104 1.00 0.00 C ATOM 1450 OD1 ASP A 93 -29.162 -3.024 6.869 1.00 0.00 O ATOM 1451 OD2 ASP A 93 -30.016 -4.610 5.609 1.00 0.00 O ATOM 0 H ASP A 93 -25.552 -5.779 5.696 1.00 0.00 H new ATOM 0 HA ASP A 93 -26.419 -3.711 7.343 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -27.170 -3.760 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -27.712 -5.423 5.210 1.00 0.00 H new ATOM 1456 N VAL A 94 -27.847 -6.620 7.988 1.00 0.00 N ATOM 1457 CA VAL A 94 -28.621 -7.350 8.986 1.00 0.00 C ATOM 1458 C VAL A 94 -27.969 -7.258 10.361 1.00 0.00 C ATOM 1459 O VAL A 94 -28.630 -7.428 11.386 1.00 0.00 O ATOM 1460 CB VAL A 94 -28.775 -8.833 8.601 1.00 0.00 C ATOM 1461 CG1 VAL A 94 -27.528 -9.617 8.982 1.00 0.00 C ATOM 1462 CG2 VAL A 94 -30.011 -9.428 9.260 1.00 0.00 C ATOM 0 H VAL A 94 -27.527 -7.188 7.204 1.00 0.00 H new ATOM 0 HA VAL A 94 -29.607 -6.888 9.023 1.00 0.00 H new ATOM 0 HB VAL A 94 -28.899 -8.899 7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -27.656 -10.663 8.702 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -26.665 -9.204 8.459 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -27.368 -9.546 10.058 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -30.105 -10.477 8.977 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -29.918 -9.351 10.343 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -30.896 -8.883 8.932 1.00 0.00 H new ATOM 1472 N LEU A 95 -26.668 -6.988 10.376 1.00 0.00 N ATOM 1473 CA LEU A 95 -25.925 -6.873 11.626 1.00 0.00 C ATOM 1474 C LEU A 95 -25.963 -5.442 12.152 1.00 0.00 C ATOM 1475 O LEU A 95 -25.633 -5.186 13.309 1.00 0.00 O ATOM 1476 CB LEU A 95 -24.475 -7.316 11.423 1.00 0.00 C ATOM 1477 CG LEU A 95 -24.261 -8.503 10.484 1.00 0.00 C ATOM 1478 CD1 LEU A 95 -22.787 -8.653 10.139 1.00 0.00 C ATOM 1479 CD2 LEU A 95 -24.797 -9.782 11.110 1.00 0.00 C ATOM 0 H LEU A 95 -26.106 -6.845 9.537 1.00 0.00 H new ATOM 0 HA LEU A 95 -26.397 -7.524 12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -23.907 -6.468 11.039 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -24.053 -7.568 12.396 1.00 0.00 H new ATOM 0 HG LEU A 95 -24.811 -8.315 9.562 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -22.655 -9.503 9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -22.434 -7.746 9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -22.215 -8.817 11.052 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -24.636 -10.616 10.427 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -24.276 -9.974 12.048 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -25.864 -9.673 11.304 1.00 0.00 H new ATOM 1491 N GLY A 96 -26.369 -4.512 11.293 1.00 0.00 N ATOM 1492 CA GLY A 96 -26.445 -3.118 11.690 1.00 0.00 C ATOM 1493 C GLY A 96 -27.798 -2.503 11.393 1.00 0.00 C ATOM 1494 O GLY A 96 -27.883 -1.364 10.934 1.00 0.00 O ATOM 0 H GLY A 96 -26.647 -4.699 10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -26.238 -3.036 12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -25.671 -2.553 11.171 1.00 0.00 H new ATOM 1498 N LYS A 97 -28.859 -3.258 11.653 1.00 0.00 N ATOM 1499 CA LYS A 97 -30.216 -2.782 11.411 1.00 0.00 C ATOM 1500 C LYS A 97 -30.981 -2.627 12.721 1.00 0.00 C ATOM 1501 O LYS A 97 -32.175 -2.330 12.723 1.00 0.00 O ATOM 1502 CB LYS A 97 -30.960 -3.748 10.485 1.00 0.00 C ATOM 1503 CG LYS A 97 -30.613 -5.208 10.724 1.00 0.00 C ATOM 1504 CD LYS A 97 -31.030 -5.660 12.113 1.00 0.00 C ATOM 1505 CE LYS A 97 -32.532 -5.529 12.314 1.00 0.00 C ATOM 1506 NZ LYS A 97 -33.298 -6.282 11.282 1.00 0.00 N ATOM 0 H LYS A 97 -28.806 -4.204 12.032 1.00 0.00 H new ATOM 0 HA LYS A 97 -30.151 -1.805 10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -32.033 -3.612 10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -30.732 -3.494 9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -31.107 -5.828 9.975 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -29.540 -5.353 10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -30.731 -6.697 12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -30.508 -5.065 12.862 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -32.799 -5.897 13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -32.813 -4.476 12.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -34.294 -6.354 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -33.238 -5.782 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -32.898 -7.236 11.180 1.00 0.00 H new ATOM 1520 N TYR A 98 -30.284 -2.828 13.834 1.00 0.00 N ATOM 1521 CA TYR A 98 -30.898 -2.711 15.152 1.00 0.00 C ATOM 1522 C TYR A 98 -30.872 -1.265 15.638 1.00 0.00 C ATOM 1523 O TYR A 98 -31.890 -0.725 16.071 1.00 0.00 O ATOM 1524 CB TYR A 98 -30.177 -3.612 16.155 1.00 0.00 C ATOM 1525 CG TYR A 98 -30.863 -4.941 16.378 1.00 0.00 C ATOM 1526 CD1 TYR A 98 -32.052 -5.021 17.091 1.00 0.00 C ATOM 1527 CD2 TYR A 98 -30.321 -6.117 15.872 1.00 0.00 C ATOM 1528 CE1 TYR A 98 -32.681 -6.234 17.297 1.00 0.00 C ATOM 1529 CE2 TYR A 98 -30.944 -7.334 16.072 1.00 0.00 C ATOM 1530 CZ TYR A 98 -32.124 -7.387 16.786 1.00 0.00 C ATOM 1531 OH TYR A 98 -32.748 -8.596 16.987 1.00 0.00 O ATOM 0 H TYR A 98 -29.294 -3.073 13.850 1.00 0.00 H new ATOM 0 HA TYR A 98 -31.937 -3.029 15.071 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -29.161 -3.792 15.804 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -30.097 -3.089 17.108 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -32.493 -4.120 17.491 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -29.398 -6.079 15.313 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -33.604 -6.279 17.855 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -30.510 -8.239 15.672 1.00 0.00 H new ATOM 0 HH TYR A 98 -32.226 -9.308 16.562 1.00 0.00 H new ATOM 1541 N ALA A 99 -29.699 -0.644 15.564 1.00 0.00 N ATOM 1542 CA ALA A 99 -29.539 0.740 15.994 1.00 0.00 C ATOM 1543 C ALA A 99 -29.983 1.708 14.903 1.00 0.00 C ATOM 1544 O ALA A 99 -30.340 1.296 13.799 1.00 0.00 O ATOM 1545 CB ALA A 99 -28.093 1.007 16.383 1.00 0.00 C ATOM 0 H ALA A 99 -28.846 -1.077 15.210 1.00 0.00 H new ATOM 0 HA ALA A 99 -30.174 0.900 16.866 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -27.988 2.044 16.702 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -27.808 0.345 17.201 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -27.446 0.824 15.525 1.00 0.00 H new ATOM 1551 N LYS A 100 -29.960 2.999 15.219 1.00 0.00 N ATOM 1552 CA LYS A 100 -30.360 4.028 14.266 1.00 0.00 C ATOM 1553 C LYS A 100 -29.349 5.170 14.243 1.00 0.00 C ATOM 1554 O LYS A 100 -28.344 5.136 14.953 1.00 0.00 O ATOM 1555 CB LYS A 100 -31.748 4.568 14.619 1.00 0.00 C ATOM 1556 CG LYS A 100 -31.814 5.228 15.986 1.00 0.00 C ATOM 1557 CD LYS A 100 -31.470 6.706 15.909 1.00 0.00 C ATOM 1558 CE LYS A 100 -31.927 7.450 17.154 1.00 0.00 C ATOM 1559 NZ LYS A 100 -33.412 7.498 17.257 1.00 0.00 N ATOM 0 H LYS A 100 -29.668 3.357 16.128 1.00 0.00 H new ATOM 0 HA LYS A 100 -30.394 3.576 13.275 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -32.051 5.290 13.861 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -32.467 3.749 14.585 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -32.815 5.108 16.401 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -31.124 4.728 16.666 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -30.393 6.824 15.788 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -31.940 7.145 15.029 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -31.517 6.963 18.039 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -31.531 8.465 17.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -33.692 8.281 17.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -33.821 7.646 16.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -33.762 6.600 17.649 1.00 0.00 H new TER 1573 LYS A 100 HETATM 1574 ZN ZN A 101 -15.752 -34.366 11.556 1.00 0.00 ZN