USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 804 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 74 ASN : amide:sc= -0.153 X(o=1.2,f=1.2) USER MOD Set 1.2: A 78 THR OG1 : rot -69:sc= 1.34 USER MOD Set 2.1: A 19 TYR OH : rot 162:sc= 0.904 USER MOD Set 2.2: A 104 ASN : amide:sc= 0.791 K(o=1.7,f=0.31) USER MOD Set 3.1: A 2 HIS : no HD1:sc= -0.0833 X(o=0.26,f=0.36) USER MOD Set 3.2: A 6 HIS : no HE2:sc= 0.34 K(o=0.26,f=-2.5!) USER MOD Single : A 1 MET CE :methyl 160:sc= 0 (180deg=-0.31) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0478 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= -0.355 K(o=-0.35,f=-1.4) USER MOD Single : A 4 HIS : no HD1:sc= -0.087 X(o=-0.087,f=-0.013) USER MOD Single : A 5 HIS : no HD1:sc= -2.11 X(o=-2.1,f=-1.6) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -153:sc= 0.547 (180deg=0.214) USER MOD Single : A 14 SER OG : rot 122:sc= 1.23 USER MOD Single : A 17 HIS : no HD1:sc= -0.764 X(o=-0.76,f=-0.36) USER MOD Single : A 18 SER OG : rot -140:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0985 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 149:sc= 1.99 (180deg=1.2) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0.603 USER MOD Single : A 83 TYR OH : rot 29:sc= 1.24 USER MOD Single : A 90 ASN : amide:sc= -0.0187 K(o=-0.019,f=-2.7!) USER MOD Single : A 91 TYR OH : rot -167:sc= 0.696 USER MOD Single : A 92 ASN : amide:sc= -0.157! K(o=-0.16!,f=-1) USER MOD Single : A 94 ASN : amide:sc= -0.185 K(o=-0.19,f=-3) USER MOD Single : A 96 THR OG1 : rot -150:sc= -0.74 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 CYS SG : rot -93:sc= -1.65 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.921 -9.816 -7.941 1.00 0.00 N ATOM 2 CA MET A 1 -17.881 -8.782 -8.994 1.00 0.00 C ATOM 3 C MET A 1 -17.183 -9.311 -10.232 1.00 0.00 C ATOM 4 O MET A 1 -16.220 -10.059 -10.065 1.00 0.00 O ATOM 5 CB MET A 1 -17.299 -7.473 -8.457 1.00 0.00 C ATOM 6 CG MET A 1 -17.324 -6.343 -9.477 1.00 0.00 C ATOM 7 SD MET A 1 -15.932 -6.198 -10.627 1.00 0.00 S ATOM 8 CE MET A 1 -14.808 -5.188 -9.630 1.00 0.00 C ATOM 0 H1 MET A 1 -17.657 -9.393 -7.029 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.882 -10.208 -7.875 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.252 -10.577 -8.176 1.00 0.00 H new ATOM 0 HA MET A 1 -18.898 -8.540 -9.304 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.860 -7.169 -7.573 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.271 -7.644 -8.138 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.234 -6.447 -10.067 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.404 -5.403 -8.931 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.792 -5.292 -10.010 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.111 -4.143 -9.687 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.844 -5.520 -8.592 1.00 0.00 H new ATOM 20 N HIS A 2 -17.623 -8.905 -11.425 1.00 0.00 N ATOM 21 CA HIS A 2 -17.072 -9.432 -12.659 1.00 0.00 C ATOM 22 C HIS A 2 -15.954 -8.553 -13.190 1.00 0.00 C ATOM 23 O HIS A 2 -16.262 -7.445 -13.638 1.00 0.00 O ATOM 24 CB HIS A 2 -18.161 -9.648 -13.711 1.00 0.00 C ATOM 25 CG HIS A 2 -17.604 -10.322 -14.940 1.00 0.00 C ATOM 26 ND1 HIS A 2 -17.273 -11.653 -15.087 1.00 0.00 N ATOM 27 CD2 HIS A 2 -17.478 -9.742 -16.187 1.00 0.00 C ATOM 28 CE1 HIS A 2 -16.909 -11.841 -16.371 1.00 0.00 C ATOM 29 NE2 HIS A 2 -17.056 -10.724 -17.082 1.00 0.00 N ATOM 0 H HIS A 2 -18.360 -8.212 -11.555 1.00 0.00 H new ATOM 0 HA HIS A 2 -16.640 -10.406 -12.432 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -18.962 -10.256 -13.290 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -18.600 -8.689 -13.986 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -17.673 -8.707 -16.427 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.545 -12.776 -16.771 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -16.892 -10.610 -18.082 1.00 0.00 H new ATOM 37 N HIS A 3 -14.700 -8.935 -12.926 1.00 0.00 N ATOM 38 CA HIS A 3 -13.537 -8.214 -13.378 1.00 0.00 C ATOM 39 C HIS A 3 -12.976 -8.863 -14.639 1.00 0.00 C ATOM 40 O HIS A 3 -12.402 -9.944 -14.520 1.00 0.00 O ATOM 41 CB HIS A 3 -12.522 -8.271 -12.235 1.00 0.00 C ATOM 42 CG HIS A 3 -11.336 -7.363 -12.426 1.00 0.00 C ATOM 43 ND1 HIS A 3 -10.989 -6.207 -11.759 1.00 0.00 N ATOM 44 CD2 HIS A 3 -10.216 -7.834 -13.085 1.00 0.00 C ATOM 45 CE1 HIS A 3 -9.696 -6.016 -12.057 1.00 0.00 C ATOM 46 NE2 HIS A 3 -9.156 -6.964 -12.828 1.00 0.00 N ATOM 0 H HIS A 3 -14.476 -9.769 -12.383 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.778 -7.181 -13.629 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -13.023 -8.007 -11.304 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.168 -9.296 -12.127 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -11.585 -5.626 -11.169 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -10.169 -8.724 -13.695 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.136 -5.164 -11.702 1.00 0.00 H new ATOM 54 N HIS A 4 -13.135 -8.331 -15.856 1.00 0.00 N ATOM 55 CA HIS A 4 -12.745 -8.911 -17.132 1.00 0.00 C ATOM 56 C HIS A 4 -12.511 -7.807 -18.147 1.00 0.00 C ATOM 57 O HIS A 4 -13.195 -6.786 -18.108 1.00 0.00 O ATOM 58 CB HIS A 4 -13.833 -9.857 -17.613 1.00 0.00 C ATOM 59 CG HIS A 4 -13.354 -10.544 -18.861 1.00 0.00 C ATOM 60 ND1 HIS A 4 -12.624 -11.720 -18.887 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.635 -10.146 -20.151 1.00 0.00 C ATOM 62 CE1 HIS A 4 -12.402 -11.950 -20.188 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.000 -11.059 -20.992 1.00 0.00 N ATOM 0 H HIS A 4 -13.572 -7.417 -15.976 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.819 -9.473 -17.011 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.064 -10.592 -16.842 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.752 -9.306 -17.813 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -14.229 -9.295 -20.451 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -11.802 -12.771 -20.553 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -12.992 -11.051 -22.012 1.00 0.00 H new ATOM 71 N HIS A 5 -11.487 -7.970 -18.996 1.00 0.00 N ATOM 72 CA HIS A 5 -11.137 -6.939 -19.957 1.00 0.00 C ATOM 73 C HIS A 5 -12.052 -6.953 -21.166 1.00 0.00 C ATOM 74 O HIS A 5 -12.024 -7.940 -21.900 1.00 0.00 O ATOM 75 CB HIS A 5 -9.665 -7.159 -20.282 1.00 0.00 C ATOM 76 CG HIS A 5 -8.793 -6.613 -19.187 1.00 0.00 C ATOM 77 ND1 HIS A 5 -8.363 -5.299 -19.092 1.00 0.00 N ATOM 78 CD2 HIS A 5 -8.191 -7.344 -18.191 1.00 0.00 C ATOM 79 CE1 HIS A 5 -7.584 -5.231 -17.989 1.00 0.00 C ATOM 80 NE2 HIS A 5 -7.472 -6.440 -17.419 1.00 0.00 N ATOM 0 H HIS A 5 -10.897 -8.801 -19.030 1.00 0.00 H new ATOM 0 HA HIS A 5 -11.278 -5.937 -19.552 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.471 -8.224 -20.412 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -9.419 -6.673 -21.226 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -8.263 -8.411 -18.039 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.118 -4.330 -17.619 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -6.951 -6.657 -16.569 1.00 0.00 H new ATOM 88 N HIS A 6 -12.963 -5.998 -21.302 1.00 0.00 N ATOM 89 CA HIS A 6 -13.939 -5.936 -22.382 1.00 0.00 C ATOM 90 C HIS A 6 -13.577 -4.887 -23.423 1.00 0.00 C ATOM 91 O HIS A 6 -13.783 -5.126 -24.611 1.00 0.00 O ATOM 92 CB HIS A 6 -15.327 -5.664 -21.805 1.00 0.00 C ATOM 93 CG HIS A 6 -15.962 -6.680 -20.897 1.00 0.00 C ATOM 94 ND1 HIS A 6 -15.625 -6.950 -19.580 1.00 0.00 N ATOM 95 CD2 HIS A 6 -17.223 -7.176 -21.119 1.00 0.00 C ATOM 96 CE1 HIS A 6 -16.562 -7.780 -19.073 1.00 0.00 C ATOM 97 NE2 HIS A 6 -17.532 -7.912 -19.975 1.00 0.00 N ATOM 0 H HIS A 6 -13.045 -5.223 -20.645 1.00 0.00 H new ATOM 0 HA HIS A 6 -13.938 -6.900 -22.890 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.275 -4.723 -21.257 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -16.005 -5.507 -22.644 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -14.813 -6.586 -19.082 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -17.842 -7.028 -21.991 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -16.530 -8.255 -18.103 1.00 0.00 H new ATOM 105 N HIS A 7 -13.229 -3.662 -23.013 1.00 0.00 N ATOM 106 CA HIS A 7 -13.231 -2.455 -23.820 1.00 0.00 C ATOM 107 C HIS A 7 -11.877 -2.150 -24.449 1.00 0.00 C ATOM 108 O HIS A 7 -10.863 -2.607 -23.946 1.00 0.00 O ATOM 109 CB HIS A 7 -13.586 -1.251 -22.951 1.00 0.00 C ATOM 110 CG HIS A 7 -14.962 -1.414 -22.358 1.00 0.00 C ATOM 111 ND1 HIS A 7 -15.236 -1.696 -21.030 1.00 0.00 N ATOM 112 CD2 HIS A 7 -16.204 -1.338 -22.947 1.00 0.00 C ATOM 113 CE1 HIS A 7 -16.557 -1.654 -20.816 1.00 0.00 C ATOM 114 NE2 HIS A 7 -17.187 -1.525 -21.992 1.00 0.00 N ATOM 0 H HIS A 7 -12.923 -3.486 -22.056 1.00 0.00 H new ATOM 0 HA HIS A 7 -13.961 -2.630 -24.611 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.851 -1.141 -22.154 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.547 -0.340 -23.548 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -16.384 -1.159 -23.997 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -17.038 -1.714 -19.851 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.194 -1.558 -22.151 1.00 0.00 H new ATOM 122 N ALA A 8 -11.833 -1.348 -25.508 1.00 0.00 N ATOM 123 CA ALA A 8 -10.604 -0.848 -26.104 1.00 0.00 C ATOM 124 C ALA A 8 -9.720 -0.064 -25.136 1.00 0.00 C ATOM 125 O ALA A 8 -8.517 -0.282 -25.200 1.00 0.00 O ATOM 126 CB ALA A 8 -10.998 0.061 -27.260 1.00 0.00 C ATOM 0 H ALA A 8 -12.673 -1.021 -25.986 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.015 -1.708 -26.423 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.100 0.457 -27.734 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.573 -0.508 -27.991 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.604 0.886 -26.884 1.00 0.00 H new ATOM 132 N SER A 9 -10.204 0.863 -24.301 1.00 0.00 N ATOM 133 CA SER A 9 -9.440 1.550 -23.282 1.00 0.00 C ATOM 134 C SER A 9 -10.028 1.582 -21.878 1.00 0.00 C ATOM 135 O SER A 9 -11.230 1.407 -21.687 1.00 0.00 O ATOM 136 CB SER A 9 -9.247 3.007 -23.674 1.00 0.00 C ATOM 137 OG SER A 9 -8.478 3.056 -24.849 1.00 0.00 O ATOM 0 H SER A 9 -11.180 1.159 -24.327 1.00 0.00 H new ATOM 0 HA SER A 9 -8.523 0.963 -23.236 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.212 3.487 -23.833 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.748 3.552 -22.872 1.00 0.00 H new ATOM 0 HG SER A 9 -8.346 3.990 -25.115 1.00 0.00 H new ATOM 143 N LYS A 10 -9.229 1.725 -20.823 1.00 0.00 N ATOM 144 CA LYS A 10 -9.622 1.663 -19.436 1.00 0.00 C ATOM 145 C LYS A 10 -9.876 3.054 -18.870 1.00 0.00 C ATOM 146 O LYS A 10 -9.282 4.008 -19.365 1.00 0.00 O ATOM 147 CB LYS A 10 -8.504 0.968 -18.665 1.00 0.00 C ATOM 148 CG LYS A 10 -8.129 -0.450 -19.069 1.00 0.00 C ATOM 149 CD LYS A 10 -7.059 -1.096 -18.180 1.00 0.00 C ATOM 150 CE LYS A 10 -5.883 -0.150 -17.967 1.00 0.00 C ATOM 151 NZ LYS A 10 -4.749 -0.900 -17.407 1.00 0.00 N1+ ATOM 0 H LYS A 10 -8.230 1.898 -20.932 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.554 1.106 -19.342 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.609 1.585 -18.746 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.785 0.951 -17.612 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.025 -1.070 -19.049 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.772 -0.440 -20.099 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.494 -1.364 -17.217 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.709 -2.020 -18.640 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.597 0.311 -18.912 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.169 0.657 -17.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.149 -0.258 -16.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.105 -1.660 -16.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.190 -1.313 -18.181 1.00 0.00 H new ATOM 165 N PRO A 11 -10.810 3.262 -17.934 1.00 0.00 N ATOM 166 CA PRO A 11 -10.788 4.451 -17.100 1.00 0.00 C ATOM 167 C PRO A 11 -9.727 4.522 -16.017 1.00 0.00 C ATOM 168 O PRO A 11 -9.013 3.577 -15.712 1.00 0.00 O ATOM 169 CB PRO A 11 -12.220 4.543 -16.575 1.00 0.00 C ATOM 170 CG PRO A 11 -12.555 3.093 -16.233 1.00 0.00 C ATOM 171 CD PRO A 11 -11.874 2.425 -17.422 1.00 0.00 C ATOM 0 HA PRO A 11 -10.480 5.316 -17.687 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.288 5.190 -15.700 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.899 4.948 -17.325 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.142 2.777 -15.275 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.628 2.903 -16.196 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -11.471 1.458 -17.121 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.605 2.235 -18.208 1.00 0.00 H new ATOM 179 N ALA A 12 -9.564 5.733 -15.469 1.00 0.00 N ATOM 180 CA ALA A 12 -8.571 5.975 -14.432 1.00 0.00 C ATOM 181 C ALA A 12 -9.024 5.955 -12.982 1.00 0.00 C ATOM 182 O ALA A 12 -10.022 6.578 -12.640 1.00 0.00 O ATOM 183 CB ALA A 12 -7.763 7.219 -14.802 1.00 0.00 C ATOM 0 H ALA A 12 -10.109 6.555 -15.730 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.939 5.087 -14.432 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.016 7.410 -14.032 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.265 7.059 -15.758 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.431 8.077 -14.880 1.00 0.00 H new ATOM 189 N PRO A 13 -8.236 5.451 -12.043 1.00 0.00 N ATOM 190 CA PRO A 13 -8.450 5.628 -10.614 1.00 0.00 C ATOM 191 C PRO A 13 -8.146 7.064 -10.221 1.00 0.00 C ATOM 192 O PRO A 13 -7.183 7.618 -10.739 1.00 0.00 O ATOM 193 CB PRO A 13 -7.541 4.653 -9.881 1.00 0.00 C ATOM 194 CG PRO A 13 -7.199 3.592 -10.923 1.00 0.00 C ATOM 195 CD PRO A 13 -7.385 4.299 -12.266 1.00 0.00 C ATOM 0 HA PRO A 13 -9.488 5.427 -10.349 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.644 5.149 -9.510 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.043 4.215 -9.018 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.177 3.232 -10.802 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.854 2.725 -10.837 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -6.422 4.608 -12.672 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.837 3.625 -12.994 1.00 0.00 H new ATOM 203 N SER A 14 -8.953 7.557 -9.281 1.00 0.00 N ATOM 204 CA SER A 14 -9.088 8.964 -8.941 1.00 0.00 C ATOM 205 C SER A 14 -8.802 9.218 -7.474 1.00 0.00 C ATOM 206 O SER A 14 -8.782 8.299 -6.649 1.00 0.00 O ATOM 207 CB SER A 14 -10.396 9.525 -9.501 1.00 0.00 C ATOM 208 OG SER A 14 -10.563 9.202 -10.863 1.00 0.00 O ATOM 0 H SER A 14 -9.553 6.957 -8.715 1.00 0.00 H new ATOM 0 HA SER A 14 -8.314 9.549 -9.437 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.235 9.131 -8.928 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.408 10.608 -9.380 1.00 0.00 H new ATOM 0 HG SER A 14 -11.401 8.709 -10.982 1.00 0.00 H new ATOM 214 N ALA A 15 -8.668 10.489 -7.092 1.00 0.00 N ATOM 215 CA ALA A 15 -8.271 10.859 -5.741 1.00 0.00 C ATOM 216 C ALA A 15 -9.282 10.555 -4.645 1.00 0.00 C ATOM 217 O ALA A 15 -8.911 10.128 -3.555 1.00 0.00 O ATOM 218 CB ALA A 15 -7.771 12.304 -5.743 1.00 0.00 C ATOM 0 H ALA A 15 -8.832 11.284 -7.710 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.451 10.199 -5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.472 12.587 -4.734 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.916 12.392 -6.413 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.568 12.964 -6.084 1.00 0.00 H new ATOM 224 N GLU A 16 -10.567 10.801 -4.921 1.00 0.00 N ATOM 225 CA GLU A 16 -11.723 10.476 -4.103 1.00 0.00 C ATOM 226 C GLU A 16 -11.976 8.969 -4.002 1.00 0.00 C ATOM 227 O GLU A 16 -12.710 8.474 -3.162 1.00 0.00 O ATOM 228 CB GLU A 16 -12.906 11.284 -4.633 1.00 0.00 C ATOM 229 CG GLU A 16 -12.830 12.781 -4.369 1.00 0.00 C ATOM 230 CD GLU A 16 -12.095 13.538 -5.468 1.00 0.00 C ATOM 231 OE1 GLU A 16 -11.661 12.975 -6.498 1.00 0.00 O ATOM 232 OE2 GLU A 16 -11.795 14.732 -5.265 1.00 0.00 O1- ATOM 0 H GLU A 16 -10.838 11.267 -5.787 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.546 10.760 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -12.984 11.123 -5.708 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.821 10.897 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.840 13.180 -4.272 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.327 12.952 -3.417 1.00 0.00 H new ATOM 239 N HIS A 17 -11.371 8.213 -4.909 1.00 0.00 N ATOM 240 CA HIS A 17 -11.869 6.908 -5.325 1.00 0.00 C ATOM 241 C HIS A 17 -10.777 5.849 -5.216 1.00 0.00 C ATOM 242 O HIS A 17 -10.966 4.757 -5.730 1.00 0.00 O ATOM 243 CB HIS A 17 -12.399 7.054 -6.744 1.00 0.00 C ATOM 244 CG HIS A 17 -13.649 7.901 -6.709 1.00 0.00 C ATOM 245 ND1 HIS A 17 -14.833 7.671 -6.035 1.00 0.00 N ATOM 246 CD2 HIS A 17 -13.691 9.158 -7.266 1.00 0.00 C ATOM 247 CE1 HIS A 17 -15.585 8.783 -6.156 1.00 0.00 C ATOM 248 NE2 HIS A 17 -14.939 9.665 -6.933 1.00 0.00 N ATOM 0 H HIS A 17 -10.511 8.492 -5.382 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.674 6.571 -4.672 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.647 7.517 -7.383 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.618 6.074 -7.168 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.917 9.646 -7.840 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.552 8.939 -5.701 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.308 10.568 -7.232 1.00 0.00 H new ATOM 256 N SER A 18 -9.661 6.146 -4.534 1.00 0.00 N ATOM 257 CA SER A 18 -8.664 5.171 -4.174 1.00 0.00 C ATOM 258 C SER A 18 -8.209 5.347 -2.721 1.00 0.00 C ATOM 259 O SER A 18 -7.858 6.423 -2.261 1.00 0.00 O ATOM 260 CB SER A 18 -7.523 5.296 -5.186 1.00 0.00 C ATOM 261 OG SER A 18 -6.666 4.189 -5.078 1.00 0.00 O ATOM 0 H SER A 18 -9.438 7.090 -4.220 1.00 0.00 H new ATOM 0 HA SER A 18 -9.069 4.160 -4.216 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.927 5.357 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.967 6.216 -5.008 1.00 0.00 H new ATOM 0 HG SER A 18 -5.736 4.485 -5.169 1.00 0.00 H new ATOM 267 N TYR A 19 -8.363 4.270 -1.950 1.00 0.00 N ATOM 268 CA TYR A 19 -8.169 4.142 -0.516 1.00 0.00 C ATOM 269 C TYR A 19 -7.787 2.728 -0.117 1.00 0.00 C ATOM 270 O TYR A 19 -8.047 1.805 -0.891 1.00 0.00 O ATOM 271 CB TYR A 19 -9.373 4.591 0.304 1.00 0.00 C ATOM 272 CG TYR A 19 -9.538 6.098 0.314 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.591 6.625 -0.433 1.00 0.00 C ATOM 274 CD2 TYR A 19 -8.659 6.999 0.920 1.00 0.00 C ATOM 275 CE1 TYR A 19 -10.815 8.004 -0.511 1.00 0.00 C ATOM 276 CE2 TYR A 19 -8.847 8.387 0.882 1.00 0.00 C ATOM 277 CZ TYR A 19 -9.938 8.888 0.156 1.00 0.00 C ATOM 278 OH TYR A 19 -10.054 10.226 -0.075 1.00 0.00 O ATOM 0 H TYR A 19 -8.655 3.383 -2.360 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.344 4.816 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -10.275 4.132 -0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.265 4.234 1.328 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.249 5.953 -0.964 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -7.797 6.609 1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -11.651 8.389 -1.076 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.171 9.053 1.397 1.00 0.00 H new ATOM 0 HH TYR A 19 -9.605 10.722 0.641 1.00 0.00 H new ATOM 288 N ALA A 20 -7.099 2.513 1.006 1.00 0.00 N ATOM 289 CA ALA A 20 -6.411 1.272 1.296 1.00 0.00 C ATOM 290 C ALA A 20 -6.643 0.925 2.754 1.00 0.00 C ATOM 291 O ALA A 20 -6.906 1.796 3.578 1.00 0.00 O ATOM 292 CB ALA A 20 -4.923 1.314 0.977 1.00 0.00 C ATOM 0 H ALA A 20 -7.008 3.211 1.744 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.823 0.500 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.472 0.352 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.784 1.524 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.446 2.097 1.567 1.00 0.00 H new ATOM 298 N GLU A 21 -6.416 -0.331 3.168 1.00 0.00 N ATOM 299 CA GLU A 21 -6.746 -0.903 4.454 1.00 0.00 C ATOM 300 C GLU A 21 -5.675 -1.933 4.807 1.00 0.00 C ATOM 301 O GLU A 21 -5.393 -2.747 3.937 1.00 0.00 O ATOM 302 CB GLU A 21 -8.204 -1.352 4.527 1.00 0.00 C ATOM 303 CG GLU A 21 -8.496 -2.112 5.816 1.00 0.00 C ATOM 304 CD GLU A 21 -9.945 -2.591 5.723 1.00 0.00 C ATOM 305 OE1 GLU A 21 -10.879 -1.796 5.954 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.124 -3.766 5.344 1.00 0.00 O1- ATOM 0 H GLU A 21 -5.963 -1.012 2.558 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.713 -0.158 5.249 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.857 -0.481 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.433 -1.986 3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.816 -2.956 5.931 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.356 -1.469 6.685 1.00 0.00 H new ATOM 313 N GLY A 22 -5.111 -1.924 6.014 1.00 0.00 N ATOM 314 CA GLY A 22 -4.715 -3.146 6.684 1.00 0.00 C ATOM 315 C GLY A 22 -3.391 -3.132 7.428 1.00 0.00 C ATOM 316 O GLY A 22 -2.824 -2.092 7.781 1.00 0.00 O ATOM 0 H GLY A 22 -4.920 -1.074 6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.499 -3.411 7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.676 -3.942 5.940 1.00 0.00 H new ATOM 320 N GLU A 23 -2.829 -4.327 7.623 1.00 0.00 N ATOM 321 CA GLU A 23 -1.613 -4.449 8.402 1.00 0.00 C ATOM 322 C GLU A 23 -0.389 -3.646 8.002 1.00 0.00 C ATOM 323 O GLU A 23 0.266 -3.074 8.869 1.00 0.00 O ATOM 324 CB GLU A 23 -1.314 -5.921 8.675 1.00 0.00 C ATOM 325 CG GLU A 23 -2.448 -6.741 9.292 1.00 0.00 C ATOM 326 CD GLU A 23 -2.011 -8.197 9.309 1.00 0.00 C ATOM 327 OE1 GLU A 23 -2.913 -9.055 9.142 1.00 0.00 O ATOM 328 OE2 GLU A 23 -0.803 -8.485 9.374 1.00 0.00 O1- ATOM 0 H GLU A 23 -3.195 -5.205 7.256 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.856 -3.927 9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.024 -6.391 7.735 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.451 -5.977 9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.664 -6.395 10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.364 -6.624 8.713 1.00 0.00 H new ATOM 335 N GLY A 24 -0.069 -3.538 6.712 1.00 0.00 N ATOM 336 CA GLY A 24 0.906 -2.648 6.108 1.00 0.00 C ATOM 337 C GLY A 24 0.524 -1.175 6.176 1.00 0.00 C ATOM 338 O GLY A 24 1.184 -0.337 5.567 1.00 0.00 O ATOM 0 H GLY A 24 -0.526 -4.121 6.011 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.867 -2.787 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.043 -2.930 5.064 1.00 0.00 H new ATOM 342 N LEU A 25 -0.602 -0.829 6.812 1.00 0.00 N ATOM 343 CA LEU A 25 -0.857 0.474 7.389 1.00 0.00 C ATOM 344 C LEU A 25 -0.852 0.582 8.904 1.00 0.00 C ATOM 345 O LEU A 25 -1.118 1.648 9.444 1.00 0.00 O ATOM 346 CB LEU A 25 -2.008 1.144 6.653 1.00 0.00 C ATOM 347 CG LEU A 25 -1.943 1.201 5.130 1.00 0.00 C ATOM 348 CD1 LEU A 25 -3.287 1.604 4.522 1.00 0.00 C ATOM 349 CD2 LEU A 25 -0.745 1.964 4.583 1.00 0.00 C ATOM 0 H LEU A 25 -1.379 -1.478 6.937 1.00 0.00 H new ATOM 0 HA LEU A 25 0.035 1.075 7.211 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.928 0.628 6.930 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.092 2.166 7.023 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.755 0.182 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.201 1.634 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.048 0.877 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.572 2.589 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.775 1.956 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.776 2.994 4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.175 1.489 4.924 1.00 0.00 H new ATOM 361 N VAL A 26 -0.599 -0.490 9.659 1.00 0.00 N ATOM 362 CA VAL A 26 -0.687 -0.481 11.106 1.00 0.00 C ATOM 363 C VAL A 26 0.625 -0.822 11.796 1.00 0.00 C ATOM 364 O VAL A 26 1.000 -0.163 12.767 1.00 0.00 O ATOM 365 CB VAL A 26 -1.693 -1.519 11.585 1.00 0.00 C ATOM 366 CG1 VAL A 26 -1.822 -1.821 13.075 1.00 0.00 C ATOM 367 CG2 VAL A 26 -3.061 -1.112 11.031 1.00 0.00 C ATOM 0 H VAL A 26 -0.325 -1.393 9.271 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.980 0.537 11.363 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.294 -2.461 11.208 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.586 -2.584 13.227 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.867 -2.182 13.457 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.105 -0.913 13.607 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.813 -1.833 11.352 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.325 -0.122 11.404 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.021 -1.091 9.942 1.00 0.00 H new ATOM 377 N LYS A 27 1.335 -1.867 11.353 1.00 0.00 N ATOM 378 CA LYS A 27 2.638 -2.275 11.840 1.00 0.00 C ATOM 379 C LYS A 27 3.454 -3.147 10.899 1.00 0.00 C ATOM 380 O LYS A 27 2.906 -4.083 10.325 1.00 0.00 O ATOM 381 CB LYS A 27 2.661 -2.847 13.254 1.00 0.00 C ATOM 382 CG LYS A 27 4.069 -2.946 13.833 1.00 0.00 C ATOM 383 CD LYS A 27 4.177 -3.211 15.331 1.00 0.00 C ATOM 384 CE LYS A 27 3.839 -1.929 16.071 1.00 0.00 C ATOM 385 NZ LYS A 27 4.288 -2.062 17.473 1.00 0.00 N1+ ATOM 0 H LYS A 27 0.991 -2.474 10.609 1.00 0.00 H new ATOM 0 HA LYS A 27 3.141 -1.309 11.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.050 -2.220 13.904 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.206 -3.838 13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.598 -3.742 13.308 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.593 -2.016 13.613 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.495 -4.009 15.625 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.184 -3.542 15.586 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.328 -1.078 15.596 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.766 -1.742 16.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.063 -1.190 17.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.802 -2.866 17.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.315 -2.223 17.495 1.00 0.00 H new ATOM 399 N VAL A 28 4.749 -2.849 10.729 1.00 0.00 N ATOM 400 CA VAL A 28 5.550 -3.542 9.741 1.00 0.00 C ATOM 401 C VAL A 28 6.874 -3.882 10.411 1.00 0.00 C ATOM 402 O VAL A 28 7.408 -3.093 11.183 1.00 0.00 O ATOM 403 CB VAL A 28 5.654 -2.745 8.438 1.00 0.00 C ATOM 404 CG1 VAL A 28 6.362 -3.488 7.312 1.00 0.00 C ATOM 405 CG2 VAL A 28 4.262 -2.392 7.954 1.00 0.00 C ATOM 0 H VAL A 28 5.250 -2.138 11.262 1.00 0.00 H new ATOM 0 HA VAL A 28 5.088 -4.474 9.415 1.00 0.00 H new ATOM 0 HB VAL A 28 6.248 -1.862 8.674 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.395 -2.857 6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.378 -3.733 7.621 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.820 -4.406 7.085 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.332 -1.824 7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.695 -3.306 7.778 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.756 -1.791 8.709 1.00 0.00 H new ATOM 415 N PHE A 29 7.384 -5.086 10.139 1.00 0.00 N ATOM 416 CA PHE A 29 8.506 -5.767 10.766 1.00 0.00 C ATOM 417 C PHE A 29 9.660 -6.153 9.847 1.00 0.00 C ATOM 418 O PHE A 29 9.597 -5.870 8.654 1.00 0.00 O ATOM 419 CB PHE A 29 7.921 -7.006 11.428 1.00 0.00 C ATOM 420 CG PHE A 29 6.648 -6.791 12.208 1.00 0.00 C ATOM 421 CD1 PHE A 29 6.557 -6.586 13.594 1.00 0.00 C ATOM 422 CD2 PHE A 29 5.454 -6.884 11.483 1.00 0.00 C ATOM 423 CE1 PHE A 29 5.346 -6.319 14.232 1.00 0.00 C ATOM 424 CE2 PHE A 29 4.231 -6.624 12.103 1.00 0.00 C ATOM 425 CZ PHE A 29 4.176 -6.310 13.465 1.00 0.00 C ATOM 0 H PHE A 29 6.977 -5.660 9.400 1.00 0.00 H new ATOM 0 HA PHE A 29 8.971 -5.069 11.463 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.731 -7.752 10.657 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.671 -7.425 12.099 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.458 -6.637 14.188 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.479 -7.158 10.439 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.312 -6.124 15.294 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.319 -6.666 11.526 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.231 -6.061 13.924 1.00 0.00 H new ATOM 435 N ASP A 30 10.762 -6.721 10.341 1.00 0.00 N ATOM 436 CA ASP A 30 11.894 -7.148 9.558 1.00 0.00 C ATOM 437 C ASP A 30 11.679 -8.498 8.885 1.00 0.00 C ATOM 438 O ASP A 30 11.928 -8.606 7.680 1.00 0.00 O ATOM 439 CB ASP A 30 13.086 -7.225 10.507 1.00 0.00 C ATOM 440 CG ASP A 30 14.382 -7.292 9.719 1.00 0.00 C ATOM 441 OD1 ASP A 30 15.447 -7.597 10.296 1.00 0.00 O ATOM 442 OD2 ASP A 30 14.412 -7.147 8.479 1.00 0.00 O1- ATOM 0 H ASP A 30 10.882 -6.897 11.338 1.00 0.00 H new ATOM 0 HA ASP A 30 12.056 -6.434 8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 30 13.095 -6.354 11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 30 12.995 -8.103 11.146 1.00 0.00 H new ATOM 447 N ASN A 31 11.327 -9.594 9.552 1.00 0.00 N ATOM 448 CA ASN A 31 11.033 -10.926 9.054 1.00 0.00 C ATOM 449 C ASN A 31 9.550 -11.271 9.012 1.00 0.00 C ATOM 450 O ASN A 31 9.247 -12.310 8.422 1.00 0.00 O ATOM 451 CB ASN A 31 11.875 -11.846 9.927 1.00 0.00 C ATOM 452 CG ASN A 31 13.371 -11.602 9.976 1.00 0.00 C ATOM 453 OD1 ASN A 31 14.168 -12.097 9.174 1.00 0.00 O ATOM 454 ND2 ASN A 31 13.809 -10.676 10.840 1.00 0.00 N ATOM 0 H ASN A 31 11.232 -9.561 10.567 1.00 0.00 H new ATOM 0 HA ASN A 31 11.292 -11.028 8.000 1.00 0.00 H new ATOM 0 HB2 ASN A 31 11.492 -11.784 10.946 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.714 -12.869 9.588 1.00 0.00 H new ATOM 0 HD21 ASN A 31 14.788 -10.390 10.828 1.00 0.00 H new ATOM 0 HD22 ASN A 31 13.163 -10.257 11.509 1.00 0.00 H new ATOM 461 N ALA A 32 8.630 -10.357 9.322 1.00 0.00 N ATOM 462 CA ALA A 32 7.243 -10.451 8.916 1.00 0.00 C ATOM 463 C ALA A 32 7.026 -9.353 7.879 1.00 0.00 C ATOM 464 O ALA A 32 6.481 -8.342 8.342 1.00 0.00 O ATOM 465 CB ALA A 32 6.373 -10.580 10.159 1.00 0.00 C ATOM 0 H ALA A 32 8.838 -9.522 9.870 1.00 0.00 H new ATOM 0 HA ALA A 32 6.930 -11.348 8.382 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.326 -10.651 9.864 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.657 -11.476 10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.513 -9.705 10.793 1.00 0.00 H new ATOM 471 N PRO A 33 7.311 -9.488 6.589 1.00 0.00 N ATOM 472 CA PRO A 33 6.796 -8.553 5.599 1.00 0.00 C ATOM 473 C PRO A 33 5.271 -8.537 5.621 1.00 0.00 C ATOM 474 O PRO A 33 4.592 -9.568 5.522 1.00 0.00 O ATOM 475 CB PRO A 33 7.420 -9.035 4.294 1.00 0.00 C ATOM 476 CG PRO A 33 7.586 -10.543 4.449 1.00 0.00 C ATOM 477 CD PRO A 33 7.838 -10.674 5.945 1.00 0.00 C ATOM 0 HA PRO A 33 7.057 -7.510 5.777 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.782 -8.797 3.443 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.381 -8.551 4.117 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.695 -11.087 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.418 -10.926 3.859 1.00 0.00 H new ATOM 0 HD2 PRO A 33 7.354 -11.568 6.337 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.905 -10.775 6.145 1.00 0.00 H new ATOM 485 N ALA A 34 4.778 -7.330 5.888 1.00 0.00 N ATOM 486 CA ALA A 34 3.363 -7.035 6.069 1.00 0.00 C ATOM 487 C ALA A 34 2.781 -6.650 4.718 1.00 0.00 C ATOM 488 O ALA A 34 3.456 -6.138 3.820 1.00 0.00 O ATOM 489 CB ALA A 34 3.192 -5.906 7.083 1.00 0.00 C ATOM 0 H ALA A 34 5.372 -6.507 5.987 1.00 0.00 H new ATOM 0 HA ALA A 34 2.836 -7.908 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.131 -5.691 7.213 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.621 -6.207 8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.702 -5.013 6.722 1.00 0.00 H new ATOM 495 N GLU A 35 1.466 -6.903 4.704 1.00 0.00 N ATOM 496 CA GLU A 35 0.660 -6.529 3.560 1.00 0.00 C ATOM 497 C GLU A 35 -0.454 -5.560 3.925 1.00 0.00 C ATOM 498 O GLU A 35 -0.900 -5.495 5.071 1.00 0.00 O ATOM 499 CB GLU A 35 0.087 -7.770 2.898 1.00 0.00 C ATOM 500 CG GLU A 35 1.062 -8.572 2.042 1.00 0.00 C ATOM 501 CD GLU A 35 0.261 -9.730 1.474 1.00 0.00 C ATOM 502 OE1 GLU A 35 0.105 -9.842 0.240 1.00 0.00 O ATOM 503 OE2 GLU A 35 -0.224 -10.620 2.214 1.00 0.00 O1- ATOM 0 H GLU A 35 0.955 -7.357 5.461 1.00 0.00 H new ATOM 0 HA GLU A 35 1.314 -6.011 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.309 -8.424 3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.755 -7.471 2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.479 -7.957 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.900 -8.932 2.638 1.00 0.00 H new ATOM 510 N PHE A 36 -1.046 -4.951 2.902 1.00 0.00 N ATOM 511 CA PHE A 36 -2.311 -4.242 2.881 1.00 0.00 C ATOM 512 C PHE A 36 -2.816 -4.084 1.453 1.00 0.00 C ATOM 513 O PHE A 36 -2.183 -4.588 0.526 1.00 0.00 O ATOM 514 CB PHE A 36 -2.170 -2.923 3.631 1.00 0.00 C ATOM 515 CG PHE A 36 -1.376 -1.833 2.952 1.00 0.00 C ATOM 516 CD1 PHE A 36 -2.064 -0.710 2.481 1.00 0.00 C ATOM 517 CD2 PHE A 36 0.018 -1.852 2.854 1.00 0.00 C ATOM 518 CE1 PHE A 36 -1.406 0.333 1.819 1.00 0.00 C ATOM 519 CE2 PHE A 36 0.717 -0.868 2.136 1.00 0.00 C ATOM 520 CZ PHE A 36 -0.022 0.222 1.669 1.00 0.00 C ATOM 0 H PHE A 36 -0.606 -4.944 1.982 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.074 -4.821 3.401 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.170 -2.539 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.707 -3.129 4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.131 -0.646 2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.570 -2.642 3.342 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.946 1.188 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.778 -0.950 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.504 1.020 1.166 1.00 0.00 H new ATOM 530 N THR A 37 -4.033 -3.569 1.283 1.00 0.00 N ATOM 531 CA THR A 37 -4.847 -3.630 0.080 1.00 0.00 C ATOM 532 C THR A 37 -5.432 -2.301 -0.390 1.00 0.00 C ATOM 533 O THR A 37 -5.957 -1.544 0.422 1.00 0.00 O ATOM 534 CB THR A 37 -5.958 -4.663 0.214 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.409 -5.950 0.402 1.00 0.00 O ATOM 536 CG2 THR A 37 -6.826 -4.773 -1.044 1.00 0.00 C ATOM 0 H THR A 37 -4.503 -3.066 2.035 1.00 0.00 H new ATOM 0 HA THR A 37 -4.142 -3.929 -0.695 1.00 0.00 H new ATOM 0 HB THR A 37 -6.560 -4.330 1.060 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.133 -6.605 0.489 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.600 -5.525 -0.888 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.292 -3.810 -1.250 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.204 -5.063 -1.891 1.00 0.00 H new ATOM 544 N ILE A 38 -5.196 -1.946 -1.656 1.00 0.00 N ATOM 545 CA ILE A 38 -5.688 -0.746 -2.308 1.00 0.00 C ATOM 546 C ILE A 38 -7.000 -1.086 -2.988 1.00 0.00 C ATOM 547 O ILE A 38 -6.991 -1.938 -3.879 1.00 0.00 O ATOM 548 CB ILE A 38 -4.686 -0.122 -3.281 1.00 0.00 C ATOM 549 CG1 ILE A 38 -3.247 -0.088 -2.786 1.00 0.00 C ATOM 550 CG2 ILE A 38 -5.280 1.242 -3.653 1.00 0.00 C ATOM 551 CD1 ILE A 38 -2.378 0.660 -3.803 1.00 0.00 C ATOM 0 H ILE A 38 -4.628 -2.521 -2.278 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.842 0.022 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.566 -0.744 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.196 0.405 -1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.874 -1.103 -2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.615 1.751 -4.351 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.255 1.099 -4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.394 1.847 -2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.347 0.686 -3.451 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.421 0.148 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.748 1.679 -3.918 1.00 0.00 H new ATOM 563 N PHE A 39 -8.109 -0.641 -2.401 1.00 0.00 N ATOM 564 CA PHE A 39 -9.429 -0.619 -3.006 1.00 0.00 C ATOM 565 C PHE A 39 -9.548 0.452 -4.074 1.00 0.00 C ATOM 566 O PHE A 39 -9.236 1.617 -3.836 1.00 0.00 O ATOM 567 CB PHE A 39 -10.617 -0.606 -2.052 1.00 0.00 C ATOM 568 CG PHE A 39 -10.649 0.327 -0.866 1.00 0.00 C ATOM 569 CD1 PHE A 39 -11.550 1.397 -0.772 1.00 0.00 C ATOM 570 CD2 PHE A 39 -9.848 0.002 0.232 1.00 0.00 C ATOM 571 CE1 PHE A 39 -11.685 2.159 0.395 1.00 0.00 C ATOM 572 CE2 PHE A 39 -9.929 0.755 1.410 1.00 0.00 C ATOM 573 CZ PHE A 39 -10.890 1.774 1.484 1.00 0.00 C ATOM 0 H PHE A 39 -8.107 -0.271 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.500 -1.598 -3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.504 -0.395 -2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.727 -1.619 -1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.161 1.642 -1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.165 -0.832 0.172 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.364 2.997 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -9.268 0.556 2.241 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.024 2.287 2.425 1.00 0.00 H new ATOM 583 N ALA A 40 -10.068 0.171 -5.261 1.00 0.00 N ATOM 584 CA ALA A 40 -10.014 1.121 -6.367 1.00 0.00 C ATOM 585 C ALA A 40 -11.357 1.322 -7.047 1.00 0.00 C ATOM 586 O ALA A 40 -11.948 0.294 -7.378 1.00 0.00 O ATOM 587 CB ALA A 40 -8.859 0.769 -7.303 1.00 0.00 C ATOM 0 H ALA A 40 -10.533 -0.709 -5.484 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.795 2.111 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.827 1.483 -8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.919 0.807 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.006 -0.235 -7.700 1.00 0.00 H new ATOM 593 N VAL A 41 -11.725 2.576 -7.317 1.00 0.00 N ATOM 594 CA VAL A 41 -12.865 2.933 -8.147 1.00 0.00 C ATOM 595 C VAL A 41 -12.305 3.964 -9.105 1.00 0.00 C ATOM 596 O VAL A 41 -11.385 4.749 -8.865 1.00 0.00 O ATOM 597 CB VAL A 41 -14.045 3.477 -7.339 1.00 0.00 C ATOM 598 CG1 VAL A 41 -15.095 4.339 -8.035 1.00 0.00 C ATOM 599 CG2 VAL A 41 -14.773 2.351 -6.611 1.00 0.00 C ATOM 0 H VAL A 41 -11.223 3.386 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.284 2.066 -8.658 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.529 4.170 -6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -15.857 4.637 -7.315 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -14.620 5.228 -8.449 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -15.560 3.768 -8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -15.607 2.764 -6.044 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -15.149 1.631 -7.338 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -14.083 1.852 -5.930 1.00 0.00 H new ATOM 609 N ASP A 42 -12.858 4.064 -10.320 1.00 0.00 N ATOM 610 CA ASP A 42 -12.590 5.135 -11.249 1.00 0.00 C ATOM 611 C ASP A 42 -13.173 6.459 -10.793 1.00 0.00 C ATOM 612 O ASP A 42 -12.478 7.403 -10.419 1.00 0.00 O ATOM 613 CB ASP A 42 -13.067 4.698 -12.636 1.00 0.00 C ATOM 614 CG ASP A 42 -14.440 4.060 -12.814 1.00 0.00 C ATOM 615 OD1 ASP A 42 -14.497 3.398 -13.868 1.00 0.00 O ATOM 616 OD2 ASP A 42 -15.320 4.241 -11.947 1.00 0.00 O1- ATOM 0 H ASP A 42 -13.520 3.377 -10.680 1.00 0.00 H new ATOM 0 HA ASP A 42 -11.517 5.323 -11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.034 5.577 -13.280 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.331 3.992 -13.022 1.00 0.00 H new ATOM 621 N THR A 43 -14.507 6.571 -10.838 1.00 0.00 N ATOM 622 CA THR A 43 -15.461 7.615 -10.515 1.00 0.00 C ATOM 623 C THR A 43 -16.894 7.136 -10.345 1.00 0.00 C ATOM 624 O THR A 43 -17.635 7.921 -9.768 1.00 0.00 O ATOM 625 CB THR A 43 -15.383 8.744 -11.541 1.00 0.00 C ATOM 626 OG1 THR A 43 -15.956 8.221 -12.721 1.00 0.00 O ATOM 627 CG2 THR A 43 -14.108 9.531 -11.852 1.00 0.00 C ATOM 0 H THR A 43 -15.028 5.760 -11.171 1.00 0.00 H new ATOM 0 HA THR A 43 -15.168 7.986 -9.533 1.00 0.00 H new ATOM 0 HB THR A 43 -15.900 9.561 -11.037 1.00 0.00 H new ATOM 0 HG1 THR A 43 -15.938 8.904 -13.424 1.00 0.00 H new ATOM 0 HG21 THR A 43 -14.319 10.278 -12.618 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.757 10.028 -10.947 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.338 8.849 -12.213 1.00 0.00 H new ATOM 635 N LYS A 44 -17.278 5.897 -10.668 1.00 0.00 N ATOM 636 CA LYS A 44 -18.656 5.494 -10.862 1.00 0.00 C ATOM 637 C LYS A 44 -19.039 4.355 -9.921 1.00 0.00 C ATOM 638 O LYS A 44 -19.638 3.368 -10.325 1.00 0.00 O ATOM 639 CB LYS A 44 -18.775 5.059 -12.316 1.00 0.00 C ATOM 640 CG LYS A 44 -18.886 6.159 -13.366 1.00 0.00 C ATOM 641 CD LYS A 44 -19.047 5.574 -14.763 1.00 0.00 C ATOM 642 CE LYS A 44 -20.227 4.636 -15.021 1.00 0.00 C ATOM 643 NZ LYS A 44 -21.474 5.401 -15.088 1.00 0.00 N1+ ATOM 0 H LYS A 44 -16.615 5.134 -10.803 1.00 0.00 H new ATOM 0 HA LYS A 44 -19.335 6.317 -10.639 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -17.906 4.448 -12.558 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.651 4.417 -12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -19.738 6.799 -13.137 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.996 6.788 -13.333 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -19.122 6.404 -15.465 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -18.132 5.033 -15.005 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.073 4.094 -15.954 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -20.290 3.892 -14.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -22.269 4.754 -15.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -21.625 5.899 -14.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.415 6.094 -15.861 1.00 0.00 H new ATOM 657 N GLY A 45 -18.465 4.387 -8.712 1.00 0.00 N ATOM 658 CA GLY A 45 -18.992 3.658 -7.570 1.00 0.00 C ATOM 659 C GLY A 45 -18.639 2.182 -7.412 1.00 0.00 C ATOM 660 O GLY A 45 -17.991 1.818 -6.440 1.00 0.00 O ATOM 0 H GLY A 45 -17.621 4.922 -8.506 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.662 4.174 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.079 3.736 -7.602 1.00 0.00 H new ATOM 664 N VAL A 46 -19.000 1.427 -8.443 1.00 0.00 N ATOM 665 CA VAL A 46 -18.459 0.094 -8.645 1.00 0.00 C ATOM 666 C VAL A 46 -16.947 0.131 -8.748 1.00 0.00 C ATOM 667 O VAL A 46 -16.421 0.850 -9.590 1.00 0.00 O ATOM 668 CB VAL A 46 -19.028 -0.539 -9.919 1.00 0.00 C ATOM 669 CG1 VAL A 46 -18.525 -1.951 -10.164 1.00 0.00 C ATOM 670 CG2 VAL A 46 -20.551 -0.618 -9.901 1.00 0.00 C ATOM 0 H VAL A 46 -19.669 1.720 -9.154 1.00 0.00 H new ATOM 0 HA VAL A 46 -18.747 -0.506 -7.782 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.683 0.123 -10.713 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -18.966 -2.340 -11.081 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.439 -1.939 -10.260 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.808 -2.588 -9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -20.903 -1.074 -10.826 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.874 -1.222 -9.053 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -20.966 0.386 -9.811 1.00 0.00 H new ATOM 680 N ALA A 47 -16.257 -0.753 -8.020 1.00 0.00 N ATOM 681 CA ALA A 47 -14.832 -0.949 -8.181 1.00 0.00 C ATOM 682 C ALA A 47 -14.309 -1.062 -9.610 1.00 0.00 C ATOM 683 O ALA A 47 -14.990 -1.334 -10.595 1.00 0.00 O ATOM 684 CB ALA A 47 -14.451 -2.138 -7.320 1.00 0.00 C ATOM 0 H ALA A 47 -16.680 -1.347 -7.306 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.337 -0.034 -7.855 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.381 -2.324 -7.410 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.696 -1.927 -6.279 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -15.002 -3.018 -7.651 1.00 0.00 H new ATOM 690 N ARG A 48 -13.000 -0.870 -9.809 1.00 0.00 N ATOM 691 CA ARG A 48 -12.371 -1.058 -11.107 1.00 0.00 C ATOM 692 C ARG A 48 -12.652 -2.453 -11.636 1.00 0.00 C ATOM 693 O ARG A 48 -12.074 -3.428 -11.166 1.00 0.00 O ATOM 694 CB ARG A 48 -10.881 -0.762 -10.960 1.00 0.00 C ATOM 695 CG ARG A 48 -10.497 0.701 -10.752 1.00 0.00 C ATOM 696 CD ARG A 48 -10.606 1.530 -12.029 1.00 0.00 C ATOM 697 NE ARG A 48 -9.780 1.013 -13.117 1.00 0.00 N ATOM 698 CZ ARG A 48 -10.088 0.373 -14.246 1.00 0.00 C ATOM 699 NH1 ARG A 48 -11.299 0.006 -14.676 1.00 0.00 N1+ ATOM 700 NH2 ARG A 48 -9.123 -0.059 -15.070 1.00 0.00 N ATOM 0 H ARG A 48 -12.355 -0.581 -9.073 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.785 -0.371 -11.845 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.500 -1.338 -10.117 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.371 -1.126 -11.852 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -11.140 1.135 -9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.475 0.754 -10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.647 1.556 -12.351 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.313 2.558 -11.815 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.780 1.171 -12.990 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.124 0.214 -14.114 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.398 -0.482 -15.566 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.143 0.101 -14.836 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.369 -0.547 -15.931 1.00 0.00 H new ATOM 714 N THR A 49 -13.458 -2.630 -12.688 1.00 0.00 N ATOM 715 CA THR A 49 -13.964 -3.756 -13.446 1.00 0.00 C ATOM 716 C THR A 49 -13.007 -4.420 -14.420 1.00 0.00 C ATOM 717 O THR A 49 -13.337 -5.388 -15.109 1.00 0.00 O ATOM 718 CB THR A 49 -15.223 -3.336 -14.194 1.00 0.00 C ATOM 719 OG1 THR A 49 -15.150 -2.028 -14.702 1.00 0.00 O ATOM 720 CG2 THR A 49 -16.339 -3.309 -13.152 1.00 0.00 C ATOM 0 H THR A 49 -13.847 -1.784 -13.106 1.00 0.00 H new ATOM 0 HA THR A 49 -14.154 -4.519 -12.691 1.00 0.00 H new ATOM 0 HB THR A 49 -15.374 -4.025 -15.025 1.00 0.00 H new ATOM 0 HG1 THR A 49 -15.982 -1.813 -15.173 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.274 -3.013 -13.628 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.452 -4.301 -12.715 1.00 0.00 H new ATOM 0 HG23 THR A 49 -16.088 -2.594 -12.369 1.00 0.00 H new ATOM 728 N ASP A 50 -11.770 -3.944 -14.369 1.00 0.00 N ATOM 729 CA ASP A 50 -10.632 -4.549 -15.034 1.00 0.00 C ATOM 730 C ASP A 50 -9.381 -3.857 -14.535 1.00 0.00 C ATOM 731 O ASP A 50 -9.387 -2.943 -13.717 1.00 0.00 O ATOM 732 CB ASP A 50 -10.760 -4.327 -16.539 1.00 0.00 C ATOM 733 CG ASP A 50 -11.098 -2.890 -16.925 1.00 0.00 C ATOM 734 OD1 ASP A 50 -10.277 -1.958 -16.800 1.00 0.00 O ATOM 735 OD2 ASP A 50 -12.271 -2.611 -17.255 1.00 0.00 O1- ATOM 0 H ASP A 50 -11.528 -3.102 -13.848 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.588 -5.618 -14.827 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.824 -4.611 -17.019 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.533 -4.989 -16.930 1.00 0.00 H new ATOM 740 N GLY A 51 -8.199 -4.421 -14.837 1.00 0.00 N ATOM 741 CA GLY A 51 -7.044 -4.362 -13.956 1.00 0.00 C ATOM 742 C GLY A 51 -5.836 -3.758 -14.655 1.00 0.00 C ATOM 743 O GLY A 51 -5.950 -3.071 -15.670 1.00 0.00 O ATOM 0 H GLY A 51 -8.028 -4.930 -15.704 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.288 -3.770 -13.074 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.799 -5.366 -13.608 1.00 0.00 H new ATOM 747 N GLY A 52 -4.632 -3.955 -14.107 1.00 0.00 N ATOM 748 CA GLY A 52 -3.387 -3.445 -14.635 1.00 0.00 C ATOM 749 C GLY A 52 -3.058 -1.964 -14.633 1.00 0.00 C ATOM 750 O GLY A 52 -2.287 -1.517 -15.477 1.00 0.00 O ATOM 0 H GLY A 52 -4.506 -4.496 -13.252 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.586 -3.945 -14.090 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.325 -3.779 -15.671 1.00 0.00 H new ATOM 754 N ASP A 53 -3.705 -1.165 -13.775 1.00 0.00 N ATOM 755 CA ASP A 53 -3.390 0.242 -13.593 1.00 0.00 C ATOM 756 C ASP A 53 -2.087 0.439 -12.828 1.00 0.00 C ATOM 757 O ASP A 53 -1.705 -0.424 -12.050 1.00 0.00 O ATOM 758 CB ASP A 53 -4.545 1.038 -12.983 1.00 0.00 C ATOM 759 CG ASP A 53 -5.783 0.768 -13.826 1.00 0.00 C ATOM 760 OD1 ASP A 53 -5.703 0.905 -15.068 1.00 0.00 O ATOM 761 OD2 ASP A 53 -6.858 0.582 -13.191 1.00 0.00 O1- ATOM 0 H ASP A 53 -4.470 -1.490 -13.184 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.240 0.652 -14.592 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.713 0.738 -11.949 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.313 2.103 -12.973 1.00 0.00 H new ATOM 766 N PRO A 54 -1.414 1.565 -13.066 1.00 0.00 N ATOM 767 CA PRO A 54 -0.102 1.773 -12.468 1.00 0.00 C ATOM 768 C PRO A 54 -0.159 2.690 -11.253 1.00 0.00 C ATOM 769 O PRO A 54 -0.843 3.707 -11.146 1.00 0.00 O ATOM 770 CB PRO A 54 0.757 2.334 -13.601 1.00 0.00 C ATOM 771 CG PRO A 54 -0.273 3.236 -14.268 1.00 0.00 C ATOM 772 CD PRO A 54 -1.598 2.477 -14.180 1.00 0.00 C ATOM 0 HA PRO A 54 0.319 0.849 -12.072 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.624 2.885 -13.237 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.130 1.558 -14.269 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.338 4.199 -13.762 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.005 3.438 -15.305 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.434 3.154 -14.006 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.811 1.939 -15.104 1.00 0.00 H new ATOM 780 N PHE A 55 0.503 2.171 -10.218 1.00 0.00 N ATOM 781 CA PHE A 55 0.509 2.713 -8.880 1.00 0.00 C ATOM 782 C PHE A 55 1.924 2.689 -8.306 1.00 0.00 C ATOM 783 O PHE A 55 2.765 1.876 -8.691 1.00 0.00 O ATOM 784 CB PHE A 55 -0.428 1.962 -7.944 1.00 0.00 C ATOM 785 CG PHE A 55 -1.917 2.215 -7.959 1.00 0.00 C ATOM 786 CD1 PHE A 55 -2.593 3.089 -7.117 1.00 0.00 C ATOM 787 CD2 PHE A 55 -2.665 1.370 -8.790 1.00 0.00 C ATOM 788 CE1 PHE A 55 -3.967 3.327 -7.259 1.00 0.00 C ATOM 789 CE2 PHE A 55 -4.052 1.531 -8.895 1.00 0.00 C ATOM 790 CZ PHE A 55 -4.692 2.535 -8.160 1.00 0.00 C ATOM 0 H PHE A 55 1.069 1.327 -10.304 1.00 0.00 H new ATOM 0 HA PHE A 55 0.152 3.740 -8.954 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -0.284 0.899 -8.135 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -0.083 2.153 -6.928 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.047 3.597 -6.335 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -2.170 0.592 -9.352 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.456 4.102 -6.688 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.626 0.883 -9.541 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.752 2.701 -8.288 1.00 0.00 H new ATOM 800 N GLU A 56 2.133 3.587 -7.349 1.00 0.00 N ATOM 801 CA GLU A 56 3.351 3.742 -6.562 1.00 0.00 C ATOM 802 C GLU A 56 3.037 4.027 -5.105 1.00 0.00 C ATOM 803 O GLU A 56 2.139 4.769 -4.704 1.00 0.00 O ATOM 804 CB GLU A 56 4.277 4.786 -7.179 1.00 0.00 C ATOM 805 CG GLU A 56 5.662 4.844 -6.546 1.00 0.00 C ATOM 806 CD GLU A 56 6.456 5.971 -7.206 1.00 0.00 C ATOM 807 OE1 GLU A 56 6.468 7.105 -6.686 1.00 0.00 O ATOM 808 OE2 GLU A 56 7.173 5.740 -8.195 1.00 0.00 O1- ATOM 0 H GLU A 56 1.417 4.264 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 56 3.889 2.795 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.385 4.576 -8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.809 5.767 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.580 5.018 -5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.177 3.892 -6.676 1.00 0.00 H new ATOM 815 N VAL A 57 3.845 3.432 -4.221 1.00 0.00 N ATOM 816 CA VAL A 57 3.750 3.437 -2.779 1.00 0.00 C ATOM 817 C VAL A 57 5.164 3.728 -2.294 1.00 0.00 C ATOM 818 O VAL A 57 5.911 2.804 -1.956 1.00 0.00 O ATOM 819 CB VAL A 57 3.096 2.192 -2.176 1.00 0.00 C ATOM 820 CG1 VAL A 57 2.955 2.301 -0.657 1.00 0.00 C ATOM 821 CG2 VAL A 57 1.782 1.890 -2.895 1.00 0.00 C ATOM 0 H VAL A 57 4.649 2.890 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 57 3.057 4.203 -2.430 1.00 0.00 H new ATOM 0 HB VAL A 57 3.750 1.335 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.486 1.397 -0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.941 2.420 -0.208 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.337 3.164 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.324 1.002 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.105 2.738 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.978 1.714 -3.953 1.00 0.00 H new ATOM 831 N ALA A 58 5.640 4.971 -2.351 1.00 0.00 N ATOM 832 CA ALA A 58 6.998 5.399 -2.115 1.00 0.00 C ATOM 833 C ALA A 58 7.078 5.931 -0.689 1.00 0.00 C ATOM 834 O ALA A 58 6.162 6.446 -0.064 1.00 0.00 O ATOM 835 CB ALA A 58 7.391 6.429 -3.182 1.00 0.00 C ATOM 0 H ALA A 58 5.032 5.757 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 58 7.713 4.581 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.416 6.757 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.316 5.976 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.721 7.287 -3.124 1.00 0.00 H new ATOM 841 N ILE A 59 8.231 5.581 -0.110 1.00 0.00 N ATOM 842 CA ILE A 59 8.456 5.554 1.316 1.00 0.00 C ATOM 843 C ILE A 59 9.795 6.131 1.768 1.00 0.00 C ATOM 844 O ILE A 59 10.793 6.087 1.057 1.00 0.00 O ATOM 845 CB ILE A 59 8.227 4.139 1.837 1.00 0.00 C ATOM 846 CG1 ILE A 59 6.776 3.676 1.730 1.00 0.00 C ATOM 847 CG2 ILE A 59 8.588 3.910 3.301 1.00 0.00 C ATOM 848 CD1 ILE A 59 6.632 2.158 1.727 1.00 0.00 C ATOM 0 H ILE A 59 9.051 5.302 -0.649 1.00 0.00 H new ATOM 0 HA ILE A 59 7.728 6.231 1.762 1.00 0.00 H new ATOM 0 HB ILE A 59 8.896 3.576 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.207 4.087 2.564 1.00 0.00 H new ATOM 0 HG13 ILE A 59 6.339 4.078 0.816 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.387 2.872 3.567 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.646 4.125 3.453 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.990 4.569 3.931 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.578 1.893 1.649 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.175 1.743 0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.041 1.752 2.652 1.00 0.00 H new ATOM 860 N ASN A 60 9.756 6.869 2.882 1.00 0.00 N ATOM 861 CA ASN A 60 10.885 7.466 3.575 1.00 0.00 C ATOM 862 C ASN A 60 10.824 6.964 5.013 1.00 0.00 C ATOM 863 O ASN A 60 9.890 7.348 5.703 1.00 0.00 O ATOM 864 CB ASN A 60 10.770 8.977 3.426 1.00 0.00 C ATOM 865 CG ASN A 60 11.215 9.558 2.086 1.00 0.00 C ATOM 866 OD1 ASN A 60 10.446 9.734 1.141 1.00 0.00 O ATOM 867 ND2 ASN A 60 12.439 10.082 2.065 1.00 0.00 N ATOM 0 H ASN A 60 8.873 7.074 3.349 1.00 0.00 H new ATOM 0 HA ASN A 60 11.860 7.191 3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.731 9.260 3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.359 9.445 4.215 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.744 10.633 1.263 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.071 9.932 2.851 1.00 0.00 H new ATOM 874 N GLY A 61 11.839 6.217 5.455 1.00 0.00 N ATOM 875 CA GLY A 61 12.213 5.928 6.820 1.00 0.00 C ATOM 876 C GLY A 61 12.978 7.026 7.545 1.00 0.00 C ATOM 877 O GLY A 61 13.113 8.067 6.901 1.00 0.00 O ATOM 0 H GLY A 61 12.471 5.762 4.796 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.308 5.708 7.386 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.821 5.023 6.826 1.00 0.00 H new ATOM 881 N PRO A 62 13.717 6.732 8.618 1.00 0.00 N ATOM 882 CA PRO A 62 14.760 7.539 9.211 1.00 0.00 C ATOM 883 C PRO A 62 15.915 7.724 8.236 1.00 0.00 C ATOM 884 O PRO A 62 16.599 6.787 7.819 1.00 0.00 O ATOM 885 CB PRO A 62 15.153 6.757 10.458 1.00 0.00 C ATOM 886 CG PRO A 62 14.706 5.323 10.188 1.00 0.00 C ATOM 887 CD PRO A 62 13.437 5.528 9.377 1.00 0.00 C ATOM 0 HA PRO A 62 14.445 8.553 9.458 1.00 0.00 H new ATOM 0 HB2 PRO A 62 16.228 6.808 10.633 1.00 0.00 H new ATOM 0 HB3 PRO A 62 14.666 7.161 11.346 1.00 0.00 H new ATOM 0 HG2 PRO A 62 15.457 4.760 9.633 1.00 0.00 H new ATOM 0 HG3 PRO A 62 14.515 4.776 11.111 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.235 4.679 8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 62 12.565 5.651 10.019 1.00 0.00 H new ATOM 895 N ASP A 63 16.119 8.994 7.864 1.00 0.00 N ATOM 896 CA ASP A 63 17.182 9.440 6.989 1.00 0.00 C ATOM 897 C ASP A 63 17.336 8.712 5.658 1.00 0.00 C ATOM 898 O ASP A 63 16.568 8.967 4.731 1.00 0.00 O ATOM 899 CB ASP A 63 18.490 9.597 7.769 1.00 0.00 C ATOM 900 CG ASP A 63 19.606 10.184 6.916 1.00 0.00 C ATOM 901 OD1 ASP A 63 19.683 11.428 6.774 1.00 0.00 O ATOM 902 OD2 ASP A 63 20.506 9.413 6.524 1.00 0.00 O1- ATOM 0 H ASP A 63 15.521 9.757 8.181 1.00 0.00 H new ATOM 0 HA ASP A 63 16.864 10.423 6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.320 10.240 8.633 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.801 8.625 8.151 1.00 0.00 H new ATOM 907 N GLY A 64 18.286 7.778 5.533 1.00 0.00 N ATOM 908 CA GLY A 64 18.591 7.172 4.265 1.00 0.00 C ATOM 909 C GLY A 64 17.569 6.153 3.764 1.00 0.00 C ATOM 910 O GLY A 64 17.761 5.504 2.745 1.00 0.00 O ATOM 0 H GLY A 64 18.851 7.435 6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.689 7.960 3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.562 6.682 4.340 1.00 0.00 H new ATOM 914 N LEU A 65 16.562 5.802 4.578 1.00 0.00 N ATOM 915 CA LEU A 65 15.709 4.680 4.272 1.00 0.00 C ATOM 916 C LEU A 65 14.645 4.960 3.212 1.00 0.00 C ATOM 917 O LEU A 65 13.477 5.220 3.507 1.00 0.00 O ATOM 918 CB LEU A 65 15.258 3.958 5.545 1.00 0.00 C ATOM 919 CG LEU A 65 14.777 2.518 5.390 1.00 0.00 C ATOM 920 CD1 LEU A 65 15.753 1.474 4.873 1.00 0.00 C ATOM 921 CD2 LEU A 65 14.330 2.010 6.756 1.00 0.00 C ATOM 0 H LEU A 65 16.332 6.286 5.446 1.00 0.00 H new ATOM 0 HA LEU A 65 16.312 3.941 3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.089 3.964 6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.453 4.538 5.996 1.00 0.00 H new ATOM 0 HG LEU A 65 14.005 2.607 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.256 0.505 4.822 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.097 1.758 3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.607 1.409 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.982 0.981 6.666 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.169 2.050 7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.519 2.635 7.129 1.00 0.00 H new ATOM 933 N VAL A 66 15.100 5.042 1.960 1.00 0.00 N ATOM 934 CA VAL A 66 14.322 5.198 0.742 1.00 0.00 C ATOM 935 C VAL A 66 13.865 3.883 0.134 1.00 0.00 C ATOM 936 O VAL A 66 14.664 3.006 -0.206 1.00 0.00 O ATOM 937 CB VAL A 66 14.962 6.138 -0.275 1.00 0.00 C ATOM 938 CG1 VAL A 66 14.148 6.370 -1.544 1.00 0.00 C ATOM 939 CG2 VAL A 66 15.146 7.480 0.430 1.00 0.00 C ATOM 0 H VAL A 66 16.100 4.997 1.763 1.00 0.00 H new ATOM 0 HA VAL A 66 13.407 5.697 1.062 1.00 0.00 H new ATOM 0 HB VAL A 66 15.892 5.675 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 66 14.687 7.051 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.991 5.420 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 66 13.183 6.805 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 66 15.603 8.192 -0.257 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.176 7.858 0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 66 15.791 7.349 1.299 1.00 0.00 H new ATOM 949 N VAL A 67 12.555 3.688 0.235 1.00 0.00 N ATOM 950 CA VAL A 67 11.886 2.421 0.024 1.00 0.00 C ATOM 951 C VAL A 67 10.673 2.631 -0.872 1.00 0.00 C ATOM 952 O VAL A 67 10.128 3.729 -1.009 1.00 0.00 O ATOM 953 CB VAL A 67 11.515 1.810 1.369 1.00 0.00 C ATOM 954 CG1 VAL A 67 10.629 0.574 1.272 1.00 0.00 C ATOM 955 CG2 VAL A 67 12.723 1.487 2.249 1.00 0.00 C ATOM 0 H VAL A 67 11.910 4.441 0.476 1.00 0.00 H new ATOM 0 HA VAL A 67 12.550 1.719 -0.481 1.00 0.00 H new ATOM 0 HB VAL A 67 10.937 2.604 1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.412 0.202 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.696 0.833 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 67 11.144 -0.199 0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.382 1.055 3.190 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.367 0.774 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.281 2.401 2.450 1.00 0.00 H new ATOM 965 N ASP A 68 10.190 1.560 -1.498 1.00 0.00 N ATOM 966 CA ASP A 68 8.835 1.452 -1.997 1.00 0.00 C ATOM 967 C ASP A 68 8.240 0.106 -1.595 1.00 0.00 C ATOM 968 O ASP A 68 8.949 -0.900 -1.607 1.00 0.00 O ATOM 969 CB ASP A 68 8.641 1.824 -3.463 1.00 0.00 C ATOM 970 CG ASP A 68 9.634 1.241 -4.454 1.00 0.00 C ATOM 971 OD1 ASP A 68 10.563 1.912 -4.966 1.00 0.00 O ATOM 972 OD2 ASP A 68 9.483 0.050 -4.834 1.00 0.00 O1- ATOM 0 H ASP A 68 10.750 0.726 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 68 8.255 2.234 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.640 1.514 -3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.676 2.910 -3.546 1.00 0.00 H new ATOM 977 N ALA A 69 6.939 0.138 -1.274 1.00 0.00 N ATOM 978 CA ALA A 69 6.122 -1.055 -1.232 1.00 0.00 C ATOM 979 C ALA A 69 5.480 -1.406 -2.575 1.00 0.00 C ATOM 980 O ALA A 69 5.444 -0.626 -3.516 1.00 0.00 O ATOM 981 CB ALA A 69 5.073 -0.852 -0.145 1.00 0.00 C ATOM 0 H ALA A 69 6.437 0.994 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 69 6.759 -1.910 -1.004 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.436 -1.735 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 69 5.568 -0.695 0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.464 0.019 -0.386 1.00 0.00 H new ATOM 987 N LYS A 70 5.329 -2.705 -2.802 1.00 0.00 N ATOM 988 CA LYS A 70 5.175 -3.369 -4.086 1.00 0.00 C ATOM 989 C LYS A 70 3.705 -3.641 -4.308 1.00 0.00 C ATOM 990 O LYS A 70 3.107 -4.436 -3.587 1.00 0.00 O ATOM 991 CB LYS A 70 6.018 -4.643 -4.190 1.00 0.00 C ATOM 992 CG LYS A 70 7.401 -4.412 -4.803 1.00 0.00 C ATOM 993 CD LYS A 70 8.220 -3.348 -4.080 1.00 0.00 C ATOM 994 CE LYS A 70 9.699 -3.360 -4.431 1.00 0.00 C ATOM 995 NZ LYS A 70 10.349 -2.277 -3.690 1.00 0.00 N1+ ATOM 0 H LYS A 70 5.310 -3.372 -2.031 1.00 0.00 H new ATOM 0 HA LYS A 70 5.548 -2.715 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.137 -5.072 -3.195 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.481 -5.376 -4.791 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.954 -5.351 -4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.282 -4.120 -5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.809 -2.366 -4.316 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.111 -3.489 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.144 -4.320 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.837 -3.224 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.330 -2.545 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.346 -1.411 -4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.833 -2.104 -2.804 1.00 0.00 H new ATOM 1009 N VAL A 71 3.143 -2.966 -5.322 1.00 0.00 N ATOM 1010 CA VAL A 71 1.736 -3.112 -5.645 1.00 0.00 C ATOM 1011 C VAL A 71 1.524 -4.200 -6.681 1.00 0.00 C ATOM 1012 O VAL A 71 2.226 -4.218 -7.689 1.00 0.00 O ATOM 1013 CB VAL A 71 1.152 -1.750 -6.026 1.00 0.00 C ATOM 1014 CG1 VAL A 71 -0.361 -1.690 -6.189 1.00 0.00 C ATOM 1015 CG2 VAL A 71 1.438 -0.566 -5.094 1.00 0.00 C ATOM 0 H VAL A 71 3.649 -2.318 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 71 1.182 -3.450 -4.769 1.00 0.00 H new ATOM 0 HB VAL A 71 1.688 -1.651 -6.970 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.658 -0.677 -6.459 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.670 -2.380 -6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.839 -1.970 -5.251 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.962 0.332 -5.490 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.041 -0.780 -4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.514 -0.407 -5.028 1.00 0.00 H new ATOM 1025 N THR A 72 0.601 -5.126 -6.398 1.00 0.00 N ATOM 1026 CA THR A 72 0.388 -6.194 -7.353 1.00 0.00 C ATOM 1027 C THR A 72 -1.134 -6.297 -7.393 1.00 0.00 C ATOM 1028 O THR A 72 -1.825 -6.204 -6.376 1.00 0.00 O ATOM 1029 CB THR A 72 0.935 -7.542 -6.892 1.00 0.00 C ATOM 1030 OG1 THR A 72 2.296 -7.428 -6.553 1.00 0.00 O ATOM 1031 CG2 THR A 72 0.795 -8.535 -8.031 1.00 0.00 C ATOM 0 H THR A 72 0.022 -5.153 -5.559 1.00 0.00 H new ATOM 0 HA THR A 72 0.885 -5.978 -8.299 1.00 0.00 H new ATOM 0 HB THR A 72 0.378 -7.876 -6.017 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.634 -8.299 -6.257 1.00 0.00 H new ATOM 0 HG21 THR A 72 1.182 -9.505 -7.718 1.00 0.00 H new ATOM 0 HG22 THR A 72 -0.257 -8.634 -8.301 1.00 0.00 H new ATOM 0 HG23 THR A 72 1.359 -8.181 -8.894 1.00 0.00 H new ATOM 1039 N ASP A 73 -1.679 -6.514 -8.589 1.00 0.00 N ATOM 1040 CA ASP A 73 -3.080 -6.515 -8.973 1.00 0.00 C ATOM 1041 C ASP A 73 -3.715 -7.777 -8.398 1.00 0.00 C ATOM 1042 O ASP A 73 -3.268 -8.875 -8.713 1.00 0.00 O ATOM 1043 CB ASP A 73 -3.127 -6.368 -10.493 1.00 0.00 C ATOM 1044 CG ASP A 73 -4.553 -6.210 -10.988 1.00 0.00 C ATOM 1045 OD1 ASP A 73 -5.459 -6.582 -10.213 1.00 0.00 O ATOM 1046 OD2 ASP A 73 -4.627 -6.011 -12.217 1.00 0.00 O1- ATOM 0 H ASP A 73 -1.083 -6.714 -9.393 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.666 -5.688 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.537 -5.503 -10.795 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.673 -7.242 -10.959 1.00 0.00 H new ATOM 1051 N ASN A 74 -4.781 -7.678 -7.607 1.00 0.00 N ATOM 1052 CA ASN A 74 -5.603 -8.796 -7.185 1.00 0.00 C ATOM 1053 C ASN A 74 -6.657 -9.243 -8.186 1.00 0.00 C ATOM 1054 O ASN A 74 -7.361 -10.188 -7.849 1.00 0.00 O ATOM 1055 CB ASN A 74 -6.216 -8.573 -5.805 1.00 0.00 C ATOM 1056 CG ASN A 74 -5.110 -8.346 -4.789 1.00 0.00 C ATOM 1057 OD1 ASN A 74 -4.132 -9.059 -4.597 1.00 0.00 O ATOM 1058 ND2 ASN A 74 -5.332 -7.349 -3.931 1.00 0.00 N ATOM 0 H ASN A 74 -5.102 -6.785 -7.233 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.899 -9.626 -7.125 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.885 -7.713 -5.828 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.816 -9.437 -5.518 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.697 -7.200 -3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.136 -6.735 -4.059 1.00 0.00 H new ATOM 1065 N ASN A 75 -6.819 -8.616 -9.354 1.00 0.00 N ATOM 1066 CA ASN A 75 -7.770 -9.062 -10.359 1.00 0.00 C ATOM 1067 C ASN A 75 -9.229 -9.080 -9.925 1.00 0.00 C ATOM 1068 O ASN A 75 -10.044 -9.861 -10.401 1.00 0.00 O ATOM 1069 CB ASN A 75 -7.281 -10.258 -11.162 1.00 0.00 C ATOM 1070 CG ASN A 75 -5.811 -10.326 -11.545 1.00 0.00 C ATOM 1071 OD1 ASN A 75 -5.221 -11.403 -11.595 1.00 0.00 O ATOM 1072 ND2 ASN A 75 -5.174 -9.220 -11.934 1.00 0.00 N ATOM 0 H ASN A 75 -6.292 -7.786 -9.624 1.00 0.00 H new ATOM 0 HA ASN A 75 -7.798 -8.257 -11.094 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.517 -11.157 -10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.865 -10.300 -12.081 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -4.211 -9.276 -12.267 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -5.650 -8.318 -11.899 1.00 0.00 H new ATOM 1079 N ASP A 76 -9.526 -8.115 -9.049 1.00 0.00 N ATOM 1080 CA ASP A 76 -10.826 -8.073 -8.394 1.00 0.00 C ATOM 1081 C ASP A 76 -11.320 -6.648 -8.174 1.00 0.00 C ATOM 1082 O ASP A 76 -12.329 -6.511 -7.486 1.00 0.00 O ATOM 1083 CB ASP A 76 -10.835 -8.926 -7.128 1.00 0.00 C ATOM 1084 CG ASP A 76 -9.783 -8.512 -6.111 1.00 0.00 C ATOM 1085 OD1 ASP A 76 -9.404 -7.318 -6.060 1.00 0.00 O ATOM 1086 OD2 ASP A 76 -9.474 -9.412 -5.292 1.00 0.00 O1- ATOM 0 H ASP A 76 -8.889 -7.364 -8.783 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.553 -8.522 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.820 -8.865 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.675 -9.969 -7.401 1.00 0.00 H new ATOM 1091 N GLY A 77 -10.677 -5.583 -8.654 1.00 0.00 N ATOM 1092 CA GLY A 77 -10.958 -4.224 -8.219 1.00 0.00 C ATOM 1093 C GLY A 77 -10.150 -3.734 -7.033 1.00 0.00 C ATOM 1094 O GLY A 77 -10.360 -2.659 -6.483 1.00 0.00 O ATOM 0 H GLY A 77 -9.943 -5.645 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -10.784 -3.550 -9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.016 -4.154 -7.968 1.00 0.00 H new ATOM 1098 N THR A 78 -9.158 -4.504 -6.576 1.00 0.00 N ATOM 1099 CA THR A 78 -8.189 -4.228 -5.538 1.00 0.00 C ATOM 1100 C THR A 78 -6.787 -4.741 -5.840 1.00 0.00 C ATOM 1101 O THR A 78 -6.522 -5.591 -6.689 1.00 0.00 O ATOM 1102 CB THR A 78 -8.573 -4.825 -4.190 1.00 0.00 C ATOM 1103 OG1 THR A 78 -8.280 -6.206 -4.127 1.00 0.00 O ATOM 1104 CG2 THR A 78 -10.040 -4.717 -3.795 1.00 0.00 C ATOM 0 H THR A 78 -9.008 -5.431 -6.973 1.00 0.00 H new ATOM 0 HA THR A 78 -8.187 -3.139 -5.501 1.00 0.00 H new ATOM 0 HB THR A 78 -7.979 -4.219 -3.506 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.879 -6.695 -4.729 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.189 -5.177 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.328 -3.667 -3.749 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.655 -5.230 -4.535 1.00 0.00 H new ATOM 1112 N TYR A 79 -5.807 -4.138 -5.165 1.00 0.00 N ATOM 1113 CA TYR A 79 -4.400 -4.316 -5.462 1.00 0.00 C ATOM 1114 C TYR A 79 -3.685 -4.597 -4.143 1.00 0.00 C ATOM 1115 O TYR A 79 -3.940 -3.894 -3.172 1.00 0.00 O ATOM 1116 CB TYR A 79 -3.866 -3.035 -6.094 1.00 0.00 C ATOM 1117 CG TYR A 79 -4.259 -2.880 -7.537 1.00 0.00 C ATOM 1118 CD1 TYR A 79 -3.241 -2.977 -8.505 1.00 0.00 C ATOM 1119 CD2 TYR A 79 -5.574 -2.676 -7.973 1.00 0.00 C ATOM 1120 CE1 TYR A 79 -3.553 -2.707 -9.838 1.00 0.00 C ATOM 1121 CE2 TYR A 79 -5.876 -2.463 -9.322 1.00 0.00 C ATOM 1122 CZ TYR A 79 -4.847 -2.360 -10.273 1.00 0.00 C ATOM 1123 OH TYR A 79 -5.173 -2.382 -11.603 1.00 0.00 O ATOM 0 H TYR A 79 -5.980 -3.504 -4.385 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.238 -5.141 -6.156 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.234 -2.178 -5.530 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.779 -3.025 -6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.237 -3.255 -8.221 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.375 -2.683 -7.249 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -2.763 -2.767 -10.572 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.906 -2.377 -9.634 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.109 -2.114 -11.715 1.00 0.00 H new ATOM 1133 N GLY A 80 -2.909 -5.675 -4.009 1.00 0.00 N ATOM 1134 CA GLY A 80 -2.189 -6.047 -2.808 1.00 0.00 C ATOM 1135 C GLY A 80 -0.816 -5.400 -2.825 1.00 0.00 C ATOM 1136 O GLY A 80 -0.198 -5.182 -3.861 1.00 0.00 O ATOM 0 H GLY A 80 -2.765 -6.335 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.743 -5.728 -1.925 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.092 -7.131 -2.749 1.00 0.00 H new ATOM 1140 N VAL A 81 -0.424 -5.116 -1.581 1.00 0.00 N ATOM 1141 CA VAL A 81 0.782 -4.382 -1.247 1.00 0.00 C ATOM 1142 C VAL A 81 1.633 -5.042 -0.173 1.00 0.00 C ATOM 1143 O VAL A 81 1.046 -5.366 0.850 1.00 0.00 O ATOM 1144 CB VAL A 81 0.499 -2.941 -0.815 1.00 0.00 C ATOM 1145 CG1 VAL A 81 1.692 -2.012 -0.958 1.00 0.00 C ATOM 1146 CG2 VAL A 81 -0.500 -2.083 -1.581 1.00 0.00 C ATOM 0 H VAL A 81 -0.958 -5.402 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 81 1.344 -4.384 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 81 0.143 -3.205 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.414 -1.010 -0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.514 -2.378 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.006 -1.981 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.560 -1.097 -1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.174 -1.981 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.482 -2.556 -1.555 1.00 0.00 H new ATOM 1156 N VAL A 82 2.950 -5.159 -0.324 1.00 0.00 N ATOM 1157 CA VAL A 82 3.805 -5.957 0.547 1.00 0.00 C ATOM 1158 C VAL A 82 5.083 -5.207 0.862 1.00 0.00 C ATOM 1159 O VAL A 82 5.657 -4.572 -0.021 1.00 0.00 O ATOM 1160 CB VAL A 82 4.098 -7.296 -0.132 1.00 0.00 C ATOM 1161 CG1 VAL A 82 4.911 -7.219 -1.421 1.00 0.00 C ATOM 1162 CG2 VAL A 82 4.810 -8.133 0.923 1.00 0.00 C ATOM 0 H VAL A 82 3.462 -4.691 -1.072 1.00 0.00 H new ATOM 0 HA VAL A 82 3.296 -6.146 1.492 1.00 0.00 H new ATOM 0 HB VAL A 82 3.159 -7.733 -0.471 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.060 -8.223 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.375 -6.616 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.879 -6.763 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.053 -9.111 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.728 -7.630 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.159 -8.257 1.789 1.00 0.00 H new ATOM 1172 N TYR A 83 5.572 -5.065 2.095 1.00 0.00 N ATOM 1173 CA TYR A 83 6.835 -4.400 2.361 1.00 0.00 C ATOM 1174 C TYR A 83 7.373 -4.751 3.742 1.00 0.00 C ATOM 1175 O TYR A 83 6.572 -4.975 4.638 1.00 0.00 O ATOM 1176 CB TYR A 83 6.821 -2.881 2.221 1.00 0.00 C ATOM 1177 CG TYR A 83 6.070 -2.033 3.217 1.00 0.00 C ATOM 1178 CD1 TYR A 83 4.700 -2.336 3.254 1.00 0.00 C ATOM 1179 CD2 TYR A 83 6.600 -0.876 3.786 1.00 0.00 C ATOM 1180 CE1 TYR A 83 3.913 -1.438 3.983 1.00 0.00 C ATOM 1181 CE2 TYR A 83 5.753 0.005 4.475 1.00 0.00 C ATOM 1182 CZ TYR A 83 4.387 -0.286 4.638 1.00 0.00 C ATOM 1183 OH TYR A 83 3.660 0.613 5.362 1.00 0.00 O ATOM 0 H TYR A 83 5.100 -5.409 2.931 1.00 0.00 H new ATOM 0 HA TYR A 83 7.488 -4.782 1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.858 -2.546 2.229 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.420 -2.651 1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.284 -3.199 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 83 7.654 -0.660 3.697 1.00 0.00 H new ATOM 0 HE1 TYR A 83 2.855 -1.646 4.049 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.156 0.919 4.886 1.00 0.00 H new ATOM 0 HH TYR A 83 2.886 0.163 5.760 1.00 0.00 H new ATOM 1193 N ASP A 84 8.698 -4.732 3.949 1.00 0.00 N ATOM 1194 CA ASP A 84 9.484 -5.151 5.086 1.00 0.00 C ATOM 1195 C ASP A 84 10.225 -3.978 5.703 1.00 0.00 C ATOM 1196 O ASP A 84 10.503 -3.009 4.991 1.00 0.00 O ATOM 1197 CB ASP A 84 10.408 -6.353 4.892 1.00 0.00 C ATOM 1198 CG ASP A 84 11.318 -6.291 3.683 1.00 0.00 C ATOM 1199 OD1 ASP A 84 12.071 -7.273 3.521 1.00 0.00 O ATOM 1200 OD2 ASP A 84 11.168 -5.323 2.890 1.00 0.00 O1- ATOM 0 H ASP A 84 9.310 -4.372 3.217 1.00 0.00 H new ATOM 0 HA ASP A 84 8.734 -5.529 5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.025 -6.462 5.784 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.795 -7.251 4.817 1.00 0.00 H new ATOM 1205 N ALA A 85 10.488 -4.065 7.014 1.00 0.00 N ATOM 1206 CA ALA A 85 11.009 -3.015 7.853 1.00 0.00 C ATOM 1207 C ALA A 85 12.201 -3.315 8.751 1.00 0.00 C ATOM 1208 O ALA A 85 12.147 -4.027 9.749 1.00 0.00 O ATOM 1209 CB ALA A 85 9.848 -2.278 8.511 1.00 0.00 C ATOM 0 H ALA A 85 10.328 -4.928 7.533 1.00 0.00 H new ATOM 0 HA ALA A 85 11.531 -2.336 7.178 1.00 0.00 H new ATOM 0 HB1 ALA A 85 10.236 -1.482 9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.207 -1.848 7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.270 -2.976 9.116 1.00 0.00 H new ATOM 1215 N PRO A 86 13.411 -2.865 8.439 1.00 0.00 N ATOM 1216 CA PRO A 86 14.623 -3.199 9.162 1.00 0.00 C ATOM 1217 C PRO A 86 14.961 -2.186 10.242 1.00 0.00 C ATOM 1218 O PRO A 86 16.145 -2.033 10.549 1.00 0.00 O ATOM 1219 CB PRO A 86 15.682 -3.420 8.081 1.00 0.00 C ATOM 1220 CG PRO A 86 15.234 -2.375 7.063 1.00 0.00 C ATOM 1221 CD PRO A 86 13.714 -2.302 7.142 1.00 0.00 C ATOM 0 HA PRO A 86 14.527 -4.107 9.758 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.694 -3.242 8.445 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.662 -4.432 7.677 1.00 0.00 H new ATOM 0 HG2 PRO A 86 15.679 -1.405 7.284 1.00 0.00 H new ATOM 0 HG3 PRO A 86 15.556 -2.652 6.059 1.00 0.00 H new ATOM 0 HD2 PRO A 86 13.357 -1.275 7.058 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.244 -2.870 6.339 1.00 0.00 H new ATOM 1229 N VAL A 87 13.971 -1.458 10.748 1.00 0.00 N ATOM 1230 CA VAL A 87 14.147 -0.442 11.770 1.00 0.00 C ATOM 1231 C VAL A 87 13.086 -0.361 12.859 1.00 0.00 C ATOM 1232 O VAL A 87 11.892 -0.391 12.578 1.00 0.00 O ATOM 1233 CB VAL A 87 14.192 0.916 11.081 1.00 0.00 C ATOM 1234 CG1 VAL A 87 15.590 1.198 10.535 1.00 0.00 C ATOM 1235 CG2 VAL A 87 13.100 1.018 10.023 1.00 0.00 C ATOM 0 H VAL A 87 13.002 -1.564 10.449 1.00 0.00 H new ATOM 0 HA VAL A 87 15.065 -0.727 12.284 1.00 0.00 H new ATOM 0 HB VAL A 87 13.985 1.697 11.813 1.00 0.00 H new ATOM 0 HG11 VAL A 87 15.600 2.173 10.047 1.00 0.00 H new ATOM 0 HG12 VAL A 87 16.308 1.195 11.355 1.00 0.00 H new ATOM 0 HG13 VAL A 87 15.861 0.428 9.813 1.00 0.00 H new ATOM 0 HG21 VAL A 87 13.149 1.995 9.543 1.00 0.00 H new ATOM 0 HG22 VAL A 87 13.244 0.238 9.275 1.00 0.00 H new ATOM 0 HG23 VAL A 87 12.125 0.894 10.494 1.00 0.00 H new ATOM 1245 N GLU A 88 13.570 -0.239 14.101 1.00 0.00 N ATOM 1246 CA GLU A 88 12.913 0.565 15.112 1.00 0.00 C ATOM 1247 C GLU A 88 12.752 1.989 14.609 1.00 0.00 C ATOM 1248 O GLU A 88 13.705 2.761 14.651 1.00 0.00 O ATOM 1249 CB GLU A 88 13.493 0.374 16.510 1.00 0.00 C ATOM 1250 CG GLU A 88 12.595 1.133 17.483 1.00 0.00 C ATOM 1251 CD GLU A 88 13.194 0.895 18.860 1.00 0.00 C ATOM 1252 OE1 GLU A 88 14.015 1.743 19.257 1.00 0.00 O ATOM 1253 OE2 GLU A 88 12.872 -0.043 19.622 1.00 0.00 O1- ATOM 0 H GLU A 88 14.424 -0.696 14.422 1.00 0.00 H new ATOM 0 HA GLU A 88 11.896 0.205 15.269 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.531 -0.684 16.769 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.515 0.751 16.557 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.569 2.196 17.245 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.568 0.770 17.434 1.00 0.00 H new ATOM 1260 N GLY A 89 11.537 2.398 14.219 1.00 0.00 N ATOM 1261 CA GLY A 89 11.204 3.741 13.784 1.00 0.00 C ATOM 1262 C GLY A 89 9.888 3.753 13.021 1.00 0.00 C ATOM 1263 O GLY A 89 8.975 3.051 13.439 1.00 0.00 O ATOM 0 H GLY A 89 10.734 1.769 14.201 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.134 4.401 14.649 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.000 4.130 13.150 1.00 0.00 H new ATOM 1267 N ASN A 90 9.793 4.530 11.943 1.00 0.00 N ATOM 1268 CA ASN A 90 8.542 4.778 11.245 1.00 0.00 C ATOM 1269 C ASN A 90 8.897 4.842 9.765 1.00 0.00 C ATOM 1270 O ASN A 90 9.821 5.537 9.359 1.00 0.00 O ATOM 1271 CB ASN A 90 7.878 6.094 11.660 1.00 0.00 C ATOM 1272 CG ASN A 90 7.423 6.196 13.105 1.00 0.00 C ATOM 1273 OD1 ASN A 90 6.785 5.289 13.635 1.00 0.00 O ATOM 1274 ND2 ASN A 90 7.558 7.358 13.746 1.00 0.00 N ATOM 0 H ASN A 90 10.593 5.008 11.529 1.00 0.00 H new ATOM 0 HA ASN A 90 7.829 3.989 11.483 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.578 6.906 11.464 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.013 6.257 11.017 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.134 7.486 14.665 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.085 8.119 13.317 1.00 0.00 H new ATOM 1281 N TYR A 91 7.999 4.196 9.020 1.00 0.00 N ATOM 1282 CA TYR A 91 7.828 4.529 7.622 1.00 0.00 C ATOM 1283 C TYR A 91 6.789 5.614 7.389 1.00 0.00 C ATOM 1284 O TYR A 91 5.752 5.618 8.056 1.00 0.00 O ATOM 1285 CB TYR A 91 7.506 3.308 6.763 1.00 0.00 C ATOM 1286 CG TYR A 91 8.678 2.379 6.555 1.00 0.00 C ATOM 1287 CD1 TYR A 91 9.826 2.878 5.935 1.00 0.00 C ATOM 1288 CD2 TYR A 91 8.353 1.015 6.547 1.00 0.00 C ATOM 1289 CE1 TYR A 91 10.838 1.989 5.548 1.00 0.00 C ATOM 1290 CE2 TYR A 91 9.351 0.164 6.059 1.00 0.00 C ATOM 1291 CZ TYR A 91 10.626 0.604 5.644 1.00 0.00 C ATOM 1292 OH TYR A 91 11.553 -0.291 5.182 1.00 0.00 O ATOM 0 H TYR A 91 7.391 3.452 9.362 1.00 0.00 H new ATOM 0 HA TYR A 91 8.795 4.923 7.310 1.00 0.00 H new ATOM 0 HB2 TYR A 91 6.693 2.752 7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 91 7.145 3.645 5.791 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.933 3.938 5.756 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.399 0.647 6.893 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.779 2.368 5.177 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.133 -0.892 5.996 1.00 0.00 H new ATOM 0 HH TYR A 91 11.153 -1.185 5.143 1.00 0.00 H new ATOM 1302 N ASN A 92 7.117 6.393 6.357 1.00 0.00 N ATOM 1303 CA ASN A 92 6.275 7.415 5.785 1.00 0.00 C ATOM 1304 C ASN A 92 5.830 7.070 4.375 1.00 0.00 C ATOM 1305 O ASN A 92 6.668 6.850 3.509 1.00 0.00 O ATOM 1306 CB ASN A 92 6.912 8.811 5.763 1.00 0.00 C ATOM 1307 CG ASN A 92 5.886 9.804 5.240 1.00 0.00 C ATOM 1308 OD1 ASN A 92 5.898 10.140 4.049 1.00 0.00 O ATOM 1309 ND2 ASN A 92 4.925 10.274 6.038 1.00 0.00 N ATOM 0 H ASN A 92 8.018 6.316 5.885 1.00 0.00 H new ATOM 0 HA ASN A 92 5.414 7.447 6.452 1.00 0.00 H new ATOM 0 HB2 ASN A 92 7.237 9.094 6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.798 8.813 5.128 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.213 10.902 5.664 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.902 10.006 7.022 1.00 0.00 H new ATOM 1316 N VAL A 93 4.512 6.924 4.255 1.00 0.00 N ATOM 1317 CA VAL A 93 3.906 6.359 3.065 1.00 0.00 C ATOM 1318 C VAL A 93 3.098 7.374 2.266 1.00 0.00 C ATOM 1319 O VAL A 93 2.162 8.049 2.689 1.00 0.00 O ATOM 1320 CB VAL A 93 2.988 5.189 3.454 1.00 0.00 C ATOM 1321 CG1 VAL A 93 2.438 4.542 2.189 1.00 0.00 C ATOM 1322 CG2 VAL A 93 3.705 4.065 4.190 1.00 0.00 C ATOM 0 H VAL A 93 3.844 7.194 4.977 1.00 0.00 H new ATOM 0 HA VAL A 93 4.725 6.019 2.431 1.00 0.00 H new ATOM 0 HB VAL A 93 2.225 5.622 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.786 3.711 2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.870 5.279 1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.264 4.172 1.581 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.993 3.276 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.494 3.660 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.142 4.453 5.110 1.00 0.00 H new ATOM 1332 N ASN A 94 3.372 7.388 0.958 1.00 0.00 N ATOM 1333 CA ASN A 94 2.717 8.185 -0.054 1.00 0.00 C ATOM 1334 C ASN A 94 2.329 7.339 -1.259 1.00 0.00 C ATOM 1335 O ASN A 94 3.146 6.576 -1.765 1.00 0.00 O ATOM 1336 CB ASN A 94 3.636 9.349 -0.420 1.00 0.00 C ATOM 1337 CG ASN A 94 2.873 10.520 -1.018 1.00 0.00 C ATOM 1338 OD1 ASN A 94 1.679 10.503 -1.291 1.00 0.00 O ATOM 1339 ND2 ASN A 94 3.462 11.723 -1.053 1.00 0.00 N ATOM 0 H ASN A 94 4.107 6.800 0.564 1.00 0.00 H new ATOM 0 HA ASN A 94 1.781 8.589 0.333 1.00 0.00 H new ATOM 0 HB2 ASN A 94 4.169 9.682 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 94 4.387 9.006 -1.132 1.00 0.00 H new ATOM 0 HD21 ASN A 94 2.918 12.551 -1.296 1.00 0.00 H new ATOM 0 HD22 ASN A 94 4.455 11.811 -0.836 1.00 0.00 H new ATOM 1346 N VAL A 95 1.079 7.490 -1.692 1.00 0.00 N ATOM 1347 CA VAL A 95 0.545 6.654 -2.759 1.00 0.00 C ATOM 1348 C VAL A 95 0.133 7.454 -3.979 1.00 0.00 C ATOM 1349 O VAL A 95 -0.534 8.473 -3.818 1.00 0.00 O ATOM 1350 CB VAL A 95 -0.675 5.957 -2.171 1.00 0.00 C ATOM 1351 CG1 VAL A 95 -1.550 5.184 -3.142 1.00 0.00 C ATOM 1352 CG2 VAL A 95 -0.150 4.954 -1.145 1.00 0.00 C ATOM 0 H VAL A 95 0.423 8.178 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 95 1.310 5.956 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.311 6.749 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.384 4.735 -2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.934 5.862 -3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.961 4.400 -3.618 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.988 4.425 -0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.507 4.238 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.407 5.483 -0.371 1.00 0.00 H new ATOM 1362 N THR A 96 0.584 7.047 -5.178 1.00 0.00 N ATOM 1363 CA THR A 96 0.354 7.862 -6.346 1.00 0.00 C ATOM 1364 C THR A 96 -0.015 7.085 -7.590 1.00 0.00 C ATOM 1365 O THR A 96 0.302 5.900 -7.710 1.00 0.00 O ATOM 1366 CB THR A 96 1.566 8.733 -6.678 1.00 0.00 C ATOM 1367 OG1 THR A 96 2.680 7.966 -7.074 1.00 0.00 O ATOM 1368 CG2 THR A 96 2.130 9.756 -5.690 1.00 0.00 C ATOM 0 H THR A 96 1.095 6.180 -5.346 1.00 0.00 H new ATOM 0 HA THR A 96 -0.502 8.477 -6.068 1.00 0.00 H new ATOM 0 HB THR A 96 1.078 9.325 -7.452 1.00 0.00 H new ATOM 0 HG1 THR A 96 3.504 8.433 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.988 10.258 -6.137 1.00 0.00 H new ATOM 0 HG22 THR A 96 1.363 10.492 -5.451 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.442 9.247 -4.778 1.00 0.00 H new ATOM 1376 N LEU A 97 -0.751 7.749 -8.487 1.00 0.00 N ATOM 1377 CA LEU A 97 -1.816 7.135 -9.253 1.00 0.00 C ATOM 1378 C LEU A 97 -1.480 7.439 -10.715 1.00 0.00 C ATOM 1379 O LEU A 97 -1.569 8.622 -11.045 1.00 0.00 O ATOM 1380 CB LEU A 97 -3.069 7.847 -8.763 1.00 0.00 C ATOM 1381 CG LEU A 97 -3.809 6.957 -7.761 1.00 0.00 C ATOM 1382 CD1 LEU A 97 -3.194 6.895 -6.366 1.00 0.00 C ATOM 1383 CD2 LEU A 97 -5.294 7.305 -7.654 1.00 0.00 C ATOM 0 H LEU A 97 -0.615 8.738 -8.697 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.946 6.058 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.801 8.794 -8.294 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.719 8.081 -9.606 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.699 5.960 -8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.792 6.239 -5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.178 6.506 -6.433 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.172 7.895 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -5.771 6.644 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.403 8.339 -7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.768 7.180 -8.627 1.00 0.00 H new ATOM 1395 N ARG A 98 -1.011 6.447 -11.460 1.00 0.00 N ATOM 1396 CA ARG A 98 -0.158 6.780 -12.588 1.00 0.00 C ATOM 1397 C ARG A 98 0.894 7.783 -12.133 1.00 0.00 C ATOM 1398 O ARG A 98 1.287 8.757 -12.771 1.00 0.00 O ATOM 1399 CB ARG A 98 -1.124 7.241 -13.674 1.00 0.00 C ATOM 1400 CG ARG A 98 -0.309 7.453 -14.948 1.00 0.00 C ATOM 1401 CD ARG A 98 -1.279 7.364 -16.119 1.00 0.00 C ATOM 1402 NE ARG A 98 -1.793 6.035 -16.447 1.00 0.00 N ATOM 1403 CZ ARG A 98 -1.247 5.070 -17.190 1.00 0.00 C ATOM 1404 NH1 ARG A 98 0.066 5.098 -17.487 1.00 0.00 N1+ ATOM 1405 NH2 ARG A 98 -1.910 3.945 -17.500 1.00 0.00 N ATOM 0 H ARG A 98 -1.195 5.454 -11.315 1.00 0.00 H new ATOM 0 HA ARG A 98 0.435 5.961 -12.994 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.903 6.496 -13.836 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -1.622 8.164 -13.378 1.00 0.00 H new ATOM 0 HG2 ARG A 98 0.187 8.424 -14.931 1.00 0.00 H new ATOM 0 HG3 ARG A 98 0.472 6.698 -15.036 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.128 8.014 -15.908 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.783 7.765 -17.003 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.705 5.812 -16.048 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.650 5.860 -17.144 1.00 0.00 H new ATOM 0 HH12 ARG A 98 0.476 4.357 -18.055 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.863 3.806 -17.165 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.460 3.229 -18.070 1.00 0.00 H new ATOM 1419 N GLY A 99 1.466 7.571 -10.949 1.00 0.00 N ATOM 1420 CA GLY A 99 2.449 8.443 -10.339 1.00 0.00 C ATOM 1421 C GLY A 99 2.008 9.889 -10.116 1.00 0.00 C ATOM 1422 O GLY A 99 2.832 10.716 -9.741 1.00 0.00 O ATOM 0 H GLY A 99 1.245 6.758 -10.374 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.737 8.018 -9.377 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.341 8.448 -10.965 1.00 0.00 H new ATOM 1426 N ASN A 100 0.706 10.196 -10.211 1.00 0.00 N ATOM 1427 CA ASN A 100 0.291 11.509 -9.759 1.00 0.00 C ATOM 1428 C ASN A 100 -0.226 11.572 -8.328 1.00 0.00 C ATOM 1429 O ASN A 100 -0.650 10.554 -7.783 1.00 0.00 O ATOM 1430 CB ASN A 100 -0.925 11.966 -10.545 1.00 0.00 C ATOM 1431 CG ASN A 100 -0.560 12.081 -12.030 1.00 0.00 C ATOM 1432 OD1 ASN A 100 0.333 12.817 -12.436 1.00 0.00 O ATOM 1433 ND2 ASN A 100 -1.225 11.306 -12.892 1.00 0.00 N ATOM 0 H ASN A 100 -0.029 9.589 -10.574 1.00 0.00 H new ATOM 0 HA ASN A 100 1.196 12.106 -9.876 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.743 11.258 -10.414 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -1.273 12.928 -10.170 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.989 11.328 -13.884 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.968 10.693 -12.558 1.00 0.00 H new ATOM 1440 N PRO A 101 -0.209 12.727 -7.656 1.00 0.00 N ATOM 1441 CA PRO A 101 -0.590 12.801 -6.264 1.00 0.00 C ATOM 1442 C PRO A 101 -2.096 12.823 -6.092 1.00 0.00 C ATOM 1443 O PRO A 101 -2.921 13.043 -6.982 1.00 0.00 O ATOM 1444 CB PRO A 101 0.108 14.054 -5.733 1.00 0.00 C ATOM 1445 CG PRO A 101 0.132 15.023 -6.919 1.00 0.00 C ATOM 1446 CD PRO A 101 0.412 13.987 -8.002 1.00 0.00 C ATOM 0 HA PRO A 101 -0.283 11.921 -5.699 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -0.432 14.479 -4.887 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.117 13.828 -5.387 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -0.812 15.550 -7.062 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.911 15.781 -6.838 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.030 14.339 -8.960 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.487 13.852 -8.118 1.00 0.00 H new ATOM 1454 N ILE A 102 -2.501 12.644 -4.829 1.00 0.00 N ATOM 1455 CA ILE A 102 -3.863 12.575 -4.334 1.00 0.00 C ATOM 1456 C ILE A 102 -4.035 13.143 -2.930 1.00 0.00 C ATOM 1457 O ILE A 102 -3.167 13.716 -2.268 1.00 0.00 O ATOM 1458 CB ILE A 102 -4.204 11.093 -4.317 1.00 0.00 C ATOM 1459 CG1 ILE A 102 -3.288 10.262 -3.422 1.00 0.00 C ATOM 1460 CG2 ILE A 102 -4.265 10.489 -5.717 1.00 0.00 C ATOM 1461 CD1 ILE A 102 -3.756 8.833 -3.155 1.00 0.00 C ATOM 0 H ILE A 102 -1.824 12.536 -4.074 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.513 13.174 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 102 -5.202 11.049 -3.881 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.299 10.223 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.178 10.775 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -4.512 9.430 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.029 11.001 -6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -3.297 10.604 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.036 8.329 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.730 8.854 -2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.837 8.294 -4.099 1.00 0.00 H new ATOM 1473 N LYS A 103 -5.249 13.071 -2.381 1.00 0.00 N ATOM 1474 CA LYS A 103 -5.632 13.616 -1.098 1.00 0.00 C ATOM 1475 C LYS A 103 -5.299 12.644 0.028 1.00 0.00 C ATOM 1476 O LYS A 103 -5.039 11.467 -0.221 1.00 0.00 O ATOM 1477 CB LYS A 103 -7.089 14.052 -1.230 1.00 0.00 C ATOM 1478 CG LYS A 103 -7.936 12.789 -1.293 1.00 0.00 C ATOM 1479 CD LYS A 103 -9.380 13.128 -1.647 1.00 0.00 C ATOM 1480 CE LYS A 103 -10.165 13.594 -0.422 1.00 0.00 C ATOM 1481 NZ LYS A 103 -11.514 14.106 -0.727 1.00 0.00 N1+ ATOM 0 H LYS A 103 -6.024 12.605 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.061 14.500 -0.813 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.383 14.670 -0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.230 14.654 -2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.525 12.106 -2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.903 12.274 -0.333 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.395 13.908 -2.408 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.865 12.252 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.254 12.762 0.277 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.598 14.376 0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.981 14.401 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.439 14.921 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.075 13.357 -1.182 1.00 0.00 H new ATOM 1495 N ASN A 104 -5.367 13.068 1.293 1.00 0.00 N ATOM 1496 CA ASN A 104 -5.159 12.187 2.420 1.00 0.00 C ATOM 1497 C ASN A 104 -3.834 11.423 2.393 1.00 0.00 C ATOM 1498 O ASN A 104 -3.760 10.360 3.006 1.00 0.00 O ATOM 1499 CB ASN A 104 -6.351 11.278 2.702 1.00 0.00 C ATOM 1500 CG ASN A 104 -7.759 11.844 2.772 1.00 0.00 C ATOM 1501 OD1 ASN A 104 -8.707 11.579 2.040 1.00 0.00 O ATOM 1502 ND2 ASN A 104 -7.985 12.633 3.834 1.00 0.00 N ATOM 0 H ASN A 104 -5.568 14.034 1.553 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.077 12.863 3.271 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.354 10.505 1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -6.158 10.781 3.653 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -8.923 12.992 4.012 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.219 12.873 4.463 1.00 0.00 H new ATOM 1509 N MET A 105 -2.791 11.988 1.788 1.00 0.00 N ATOM 1510 CA MET A 105 -1.455 11.411 1.713 1.00 0.00 C ATOM 1511 C MET A 105 -0.377 12.474 1.820 1.00 0.00 C ATOM 1512 O MET A 105 -0.727 13.567 1.386 1.00 0.00 O ATOM 1513 CB MET A 105 -1.386 10.691 0.372 1.00 0.00 C ATOM 1514 CG MET A 105 -1.976 9.289 0.416 1.00 0.00 C ATOM 1515 SD MET A 105 -0.990 8.183 1.443 1.00 0.00 S ATOM 1516 CE MET A 105 -2.030 6.760 1.847 1.00 0.00 C ATOM 0 H MET A 105 -2.858 12.892 1.321 1.00 0.00 H new ATOM 0 HA MET A 105 -1.278 10.728 2.544 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.917 11.279 -0.377 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.346 10.631 0.052 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.994 9.334 0.803 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.037 8.888 -0.596 1.00 0.00 H new ATOM 0 HE1 MET A 105 -1.468 6.064 2.470 1.00 0.00 H new ATOM 0 HE2 MET A 105 -2.915 7.098 2.387 1.00 0.00 H new ATOM 0 HE3 MET A 105 -2.335 6.260 0.928 1.00 0.00 H new ATOM 1526 N PRO A 106 0.838 12.253 2.335 1.00 0.00 N ATOM 1527 CA PRO A 106 1.391 11.039 2.892 1.00 0.00 C ATOM 1528 C PRO A 106 0.754 10.643 4.226 1.00 0.00 C ATOM 1529 O PRO A 106 -0.008 11.414 4.789 1.00 0.00 O ATOM 1530 CB PRO A 106 2.882 11.302 3.009 1.00 0.00 C ATOM 1531 CG PRO A 106 2.974 12.819 3.149 1.00 0.00 C ATOM 1532 CD PRO A 106 1.810 13.326 2.298 1.00 0.00 C ATOM 0 HA PRO A 106 1.183 10.182 2.252 1.00 0.00 H new ATOM 0 HB2 PRO A 106 3.311 10.794 3.872 1.00 0.00 H new ATOM 0 HB3 PRO A 106 3.421 10.948 2.130 1.00 0.00 H new ATOM 0 HG2 PRO A 106 2.878 13.133 4.188 1.00 0.00 H new ATOM 0 HG3 PRO A 106 3.930 13.198 2.788 1.00 0.00 H new ATOM 0 HD2 PRO A 106 1.396 14.250 2.702 1.00 0.00 H new ATOM 0 HD3 PRO A 106 2.128 13.538 1.277 1.00 0.00 H new ATOM 1540 N ILE A 107 1.127 9.495 4.789 1.00 0.00 N ATOM 1541 CA ILE A 107 0.746 9.122 6.141 1.00 0.00 C ATOM 1542 C ILE A 107 1.948 8.371 6.684 1.00 0.00 C ATOM 1543 O ILE A 107 2.872 7.981 5.977 1.00 0.00 O ATOM 1544 CB ILE A 107 -0.513 8.277 6.204 1.00 0.00 C ATOM 1545 CG1 ILE A 107 -0.397 6.882 5.594 1.00 0.00 C ATOM 1546 CG2 ILE A 107 -1.800 8.908 5.664 1.00 0.00 C ATOM 1547 CD1 ILE A 107 -1.426 5.894 6.116 1.00 0.00 C ATOM 0 H ILE A 107 1.703 8.799 4.316 1.00 0.00 H new ATOM 0 HA ILE A 107 0.497 10.004 6.730 1.00 0.00 H new ATOM 0 HB ILE A 107 -0.602 8.202 7.288 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.499 6.960 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.601 6.491 5.793 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -2.623 8.201 5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -2.026 9.813 6.228 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -1.668 9.160 4.612 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.278 4.927 5.635 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.311 5.785 7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -2.428 6.261 5.893 1.00 0.00 H new ATOM 1559 N ASP A 108 1.898 7.810 7.905 1.00 0.00 N ATOM 1560 CA ASP A 108 3.005 7.193 8.609 1.00 0.00 C ATOM 1561 C ASP A 108 2.616 5.864 9.247 1.00 0.00 C ATOM 1562 O ASP A 108 1.505 5.684 9.722 1.00 0.00 O ATOM 1563 CB ASP A 108 3.534 8.206 9.618 1.00 0.00 C ATOM 1564 CG ASP A 108 3.898 9.559 9.010 1.00 0.00 C ATOM 1565 OD1 ASP A 108 5.115 9.720 8.768 1.00 0.00 O ATOM 1566 OD2 ASP A 108 3.002 10.397 8.793 1.00 0.00 O1- ATOM 0 H ASP A 108 1.033 7.780 8.444 1.00 0.00 H new ATOM 0 HA ASP A 108 3.798 6.935 7.907 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.782 8.358 10.392 1.00 0.00 H new ATOM 0 HB3 ASP A 108 4.415 7.790 10.106 1.00 0.00 H new ATOM 1571 N VAL A 109 3.601 4.967 9.317 1.00 0.00 N ATOM 1572 CA VAL A 109 3.346 3.611 9.732 1.00 0.00 C ATOM 1573 C VAL A 109 4.569 3.197 10.544 1.00 0.00 C ATOM 1574 O VAL A 109 5.709 3.450 10.153 1.00 0.00 O ATOM 1575 CB VAL A 109 3.220 2.603 8.589 1.00 0.00 C ATOM 1576 CG1 VAL A 109 2.988 1.180 9.082 1.00 0.00 C ATOM 1577 CG2 VAL A 109 2.084 2.978 7.653 1.00 0.00 C ATOM 0 H VAL A 109 4.575 5.166 9.090 1.00 0.00 H new ATOM 0 HA VAL A 109 2.396 3.600 10.265 1.00 0.00 H new ATOM 0 HB VAL A 109 4.172 2.635 8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.906 0.508 8.228 1.00 0.00 H new ATOM 0 HG12 VAL A 109 3.825 0.871 9.708 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.067 1.142 9.663 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.017 2.244 6.850 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.146 2.995 8.208 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.273 3.964 7.229 1.00 0.00 H new ATOM 1587 N LYS A 110 4.247 2.685 11.735 1.00 0.00 N ATOM 1588 CA LYS A 110 5.192 2.267 12.744 1.00 0.00 C ATOM 1589 C LYS A 110 5.940 0.998 12.344 1.00 0.00 C ATOM 1590 O LYS A 110 5.374 -0.013 11.937 1.00 0.00 O ATOM 1591 CB LYS A 110 4.535 2.132 14.118 1.00 0.00 C ATOM 1592 CG LYS A 110 5.551 2.080 15.252 1.00 0.00 C ATOM 1593 CD LYS A 110 4.752 2.068 16.556 1.00 0.00 C ATOM 1594 CE LYS A 110 5.754 2.506 17.619 1.00 0.00 C ATOM 1595 NZ LYS A 110 5.010 2.610 18.884 1.00 0.00 N1+ ATOM 0 H LYS A 110 3.278 2.550 12.023 1.00 0.00 H new ATOM 0 HA LYS A 110 5.938 3.058 12.822 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.861 2.973 14.278 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.927 1.228 14.138 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.175 1.190 15.172 1.00 0.00 H new ATOM 0 HG3 LYS A 110 6.218 2.941 15.214 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.902 2.748 16.507 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.355 1.076 16.769 1.00 0.00 H new ATOM 0 HE2 LYS A 110 6.566 1.784 17.706 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.205 3.463 17.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.656 2.908 19.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 4.249 3.311 18.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.599 1.685 19.122 1.00 0.00 H new ATOM 1609 N CYS A 111 7.257 1.048 12.506 1.00 0.00 N ATOM 1610 CA CYS A 111 8.184 -0.017 12.164 1.00 0.00 C ATOM 1611 C CYS A 111 8.809 -0.577 13.436 1.00 0.00 C ATOM 1612 O CYS A 111 9.384 0.176 14.224 1.00 0.00 O ATOM 1613 CB CYS A 111 9.345 0.511 11.327 1.00 0.00 C ATOM 1614 SG CYS A 111 8.924 1.175 9.692 1.00 0.00 S ATOM 0 H CYS A 111 7.724 1.867 12.895 1.00 0.00 H new ATOM 0 HA CYS A 111 7.620 -0.770 11.613 1.00 0.00 H new ATOM 0 HB2 CYS A 111 9.847 1.294 11.895 1.00 0.00 H new ATOM 0 HB3 CYS A 111 10.065 -0.297 11.193 1.00 0.00 H new ATOM 0 HG CYS A 111 9.044 0.238 8.799 1.00 0.00 H new ATOM 1620 N ILE A 112 8.766 -1.887 13.681 1.00 0.00 N ATOM 1621 CA ILE A 112 9.778 -2.453 14.548 1.00 0.00 C ATOM 1622 C ILE A 112 10.294 -3.741 13.927 1.00 0.00 C ATOM 1623 O ILE A 112 9.503 -4.614 13.575 1.00 0.00 O ATOM 1624 CB ILE A 112 9.236 -2.658 15.955 1.00 0.00 C ATOM 1625 CG1 ILE A 112 10.022 -3.394 17.039 1.00 0.00 C ATOM 1626 CG2 ILE A 112 7.948 -3.465 16.040 1.00 0.00 C ATOM 1627 CD1 ILE A 112 11.425 -2.831 17.233 1.00 0.00 C ATOM 0 H ILE A 112 8.077 -2.541 13.310 1.00 0.00 H new ATOM 0 HA ILE A 112 10.615 -1.762 14.645 1.00 0.00 H new ATOM 0 HB ILE A 112 9.206 -1.586 16.150 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.477 -3.334 17.981 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.092 -4.450 16.778 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.643 -3.555 17.083 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.164 -2.960 15.476 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.113 -4.458 15.623 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.937 -3.392 18.015 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.983 -2.916 16.301 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.359 -1.782 17.523 1.00 0.00 H new ATOM 1639 N GLU A 113 11.623 -3.874 13.879 1.00 0.00 N ATOM 1640 CA GLU A 113 12.453 -4.774 13.091 1.00 0.00 C ATOM 1641 C GLU A 113 12.413 -6.220 13.557 1.00 0.00 C ATOM 1642 O GLU A 113 13.404 -6.903 13.781 1.00 0.00 O ATOM 1643 CB GLU A 113 13.843 -4.154 13.077 1.00 0.00 C ATOM 1644 CG GLU A 113 14.492 -3.937 14.432 1.00 0.00 C ATOM 1645 CD GLU A 113 15.745 -3.069 14.311 1.00 0.00 C ATOM 1646 OE1 GLU A 113 16.844 -3.654 14.337 1.00 0.00 O ATOM 1647 OE2 GLU A 113 15.711 -1.830 14.169 1.00 0.00 O1- ATOM 0 H GLU A 113 12.207 -3.278 14.465 1.00 0.00 H new ATOM 0 HA GLU A 113 12.069 -4.864 12.075 1.00 0.00 H new ATOM 0 HB2 GLU A 113 14.497 -4.791 12.482 1.00 0.00 H new ATOM 0 HB3 GLU A 113 13.785 -3.193 12.567 1.00 0.00 H new ATOM 0 HG2 GLU A 113 13.781 -3.462 15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 113 14.754 -4.900 14.871 1.00 0.00 H new ATOM 1654 N GLY A 114 11.209 -6.783 13.635 1.00 0.00 N ATOM 1655 CA GLY A 114 10.885 -8.154 13.975 1.00 0.00 C ATOM 1656 C GLY A 114 11.074 -9.171 12.862 1.00 0.00 C ATOM 0 H GLY A 114 10.368 -6.239 13.444 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.500 -8.453 14.824 1.00 0.00 H new ATOM 0 HA3 GLY A 114 9.847 -8.192 14.304 1.00 0.00 H new TER 1660 GLY A 114