USER MOD reduce.3.24.130724 H: found=0, std=0, add=930, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 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 110 TYR OH : rot 165:sc= -1.52 USER MOD Set 1.2: A 117 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 SER OG : rot 109:sc= 0.699 USER MOD Set 2.2: A 20 THR OG1 : rot 88:sc= 0.942 USER MOD Single : A 1 SER N :NH3+ -174:sc= -0.24 (180deg=-0.242) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 165:sc=-0.00607 (180deg=-0.212) USER MOD Single : A 9 ASN : amide:sc= -0.286 K(o=-0.29,f=-2.4) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.305 K(o=-0.31,f=-1.8!) USER MOD Single : A 34 CYS SG : rot -83:sc= 0.57 USER MOD Single : A 39 SER OG : rot -29:sc= 0.393 USER MOD Single : A 40 CYS SG : rot -118:sc= -0.0235! USER MOD Single : A 54 SER OG : rot 15:sc= 1.11 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.585 K(o=-0.58,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.46! C(o=-1.5!,f=-5.6!) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= -3! (180deg=-4.28!) USER MOD Single : A 72 SER OG : rot -170:sc= 0.706 USER MOD Single : A 74 THR OG1 : rot 90:sc= -1.31 USER MOD Single : A 80 SER OG : rot 54:sc= 1.26 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 84 LYS NZ :NH3+ 139:sc= -2.85 (180deg=-4.37!) USER MOD Single : A 85 ASN : amide:sc= 0.225 K(o=0.23,f=-0.75) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 0.425 (180deg=0.261) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.0574 X(o=-0.057,f=-0.057) USER MOD Single : A 98 MET CE :methyl -140:sc= -0.112 (180deg=-1.03) USER MOD Single : A 100 HIS : no HD1:sc= -2.39! C(o=-2.4!,f=-3.6!) USER MOD Single : A 105 HIS : no HD1:sc= 0.0335 K(o=0.033,f=-1.1) USER MOD Single : A 108 THR OG1 : rot -81:sc= 1.04 USER MOD Single : A 109 ASN : amide:sc= -0.915 K(o=-0.91,f=-6.2!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 165:sc= -0.0186 (180deg=-0.241) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc=-0.00168 K(o=-0.0017,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.726 20.020 -13.677 1.00 0.00 N ATOM 2 CA SER A 1 -8.133 19.622 -12.369 1.00 0.00 C ATOM 3 C SER A 1 -6.973 18.653 -12.570 1.00 0.00 C ATOM 4 O SER A 1 -6.324 18.233 -11.611 1.00 0.00 O ATOM 5 CB SER A 1 -9.205 18.976 -11.492 1.00 0.00 C ATOM 6 OG SER A 1 -10.463 19.005 -12.142 1.00 0.00 O ATOM 0 H1 SER A 1 -9.445 20.756 -13.523 1.00 0.00 H new ATOM 0 H2 SER A 1 -7.979 20.391 -14.298 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.169 19.192 -14.124 1.00 0.00 H new ATOM 0 HA SER A 1 -7.750 20.516 -11.877 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.928 17.946 -11.269 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.269 19.502 -10.539 1.00 0.00 H new ATOM 0 HG SER A 1 -11.138 18.586 -11.568 1.00 0.00 H new ATOM 14 N GLU A 2 -6.722 18.302 -13.826 1.00 0.00 N ATOM 15 CA GLU A 2 -5.641 17.381 -14.162 1.00 0.00 C ATOM 16 C GLU A 2 -4.284 18.062 -14.014 1.00 0.00 C ATOM 17 O GLU A 2 -4.117 19.215 -14.413 1.00 0.00 O ATOM 18 CB GLU A 2 -5.810 16.861 -15.593 1.00 0.00 C ATOM 19 CG GLU A 2 -6.999 15.929 -15.771 1.00 0.00 C ATOM 20 CD GLU A 2 -7.247 15.562 -17.221 1.00 0.00 C ATOM 21 OE1 GLU A 2 -6.646 16.206 -18.110 1.00 0.00 O ATOM 22 OE2 GLU A 2 -8.044 14.635 -17.471 1.00 0.00 O ATOM 0 H GLU A 2 -7.252 18.641 -14.629 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.685 16.540 -13.470 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.922 17.710 -16.267 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.901 16.336 -15.889 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.831 15.019 -15.195 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.891 16.404 -15.364 1.00 0.00 H new ATOM 29 N PHE A 3 -3.322 17.332 -13.441 1.00 0.00 N ATOM 30 CA PHE A 3 -1.962 17.839 -13.221 1.00 0.00 C ATOM 31 C PHE A 3 -1.960 19.099 -12.354 1.00 0.00 C ATOM 32 O PHE A 3 -1.125 19.988 -12.531 1.00 0.00 O ATOM 33 CB PHE A 3 -1.259 18.114 -14.557 1.00 0.00 C ATOM 34 CG PHE A 3 -1.060 16.888 -15.404 1.00 0.00 C ATOM 35 CD1 PHE A 3 -1.972 16.556 -16.395 1.00 0.00 C ATOM 36 CD2 PHE A 3 0.037 16.064 -15.207 1.00 0.00 C ATOM 37 CE1 PHE A 3 -1.793 15.429 -17.174 1.00 0.00 C ATOM 38 CE2 PHE A 3 0.222 14.935 -15.983 1.00 0.00 C ATOM 39 CZ PHE A 3 -0.694 14.617 -16.968 1.00 0.00 C ATOM 0 H PHE A 3 -3.463 16.375 -13.117 1.00 0.00 H new ATOM 0 HA PHE A 3 -1.412 17.064 -12.687 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -1.843 18.842 -15.120 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -0.288 18.568 -14.359 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -2.833 17.187 -16.560 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.756 16.307 -14.438 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -2.511 15.183 -17.943 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.082 14.302 -15.820 1.00 0.00 H new ATOM 0 HZ PHE A 3 -0.551 13.736 -17.576 1.00 0.00 H new ATOM 49 N GLY A 4 -2.903 19.172 -11.418 1.00 0.00 N ATOM 50 CA GLY A 4 -2.990 20.320 -10.534 1.00 0.00 C ATOM 51 C GLY A 4 -2.096 20.181 -9.316 1.00 0.00 C ATOM 52 O GLY A 4 -1.373 19.194 -9.176 1.00 0.00 O ATOM 0 H GLY A 4 -3.610 18.454 -11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.714 21.220 -11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.023 20.449 -10.210 1.00 0.00 H new ATOM 56 N SER A 5 -2.145 21.166 -8.428 1.00 0.00 N ATOM 57 CA SER A 5 -1.330 21.141 -7.220 1.00 0.00 C ATOM 58 C SER A 5 -2.211 21.113 -5.976 1.00 0.00 C ATOM 59 O SER A 5 -3.231 21.799 -5.912 1.00 0.00 O ATOM 60 CB SER A 5 -0.405 22.358 -7.179 1.00 0.00 C ATOM 61 OG SER A 5 0.477 22.364 -8.290 1.00 0.00 O ATOM 0 H SER A 5 -2.739 21.990 -8.521 1.00 0.00 H new ATOM 0 HA SER A 5 -0.724 20.235 -7.236 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.000 23.271 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.170 22.351 -6.253 1.00 0.00 H new ATOM 0 HG SER A 5 1.057 23.152 -8.243 1.00 0.00 H new ATOM 67 N MET A 6 -1.807 20.319 -4.989 1.00 0.00 N ATOM 68 CA MET A 6 -2.553 20.189 -3.743 1.00 0.00 C ATOM 69 C MET A 6 -1.638 19.699 -2.622 1.00 0.00 C ATOM 70 O MET A 6 -0.541 19.202 -2.884 1.00 0.00 O ATOM 71 CB MET A 6 -3.743 19.239 -3.934 1.00 0.00 C ATOM 72 CG MET A 6 -3.351 17.835 -4.371 1.00 0.00 C ATOM 73 SD MET A 6 -4.778 16.829 -4.825 1.00 0.00 S ATOM 74 CE MET A 6 -5.214 17.547 -6.406 1.00 0.00 C ATOM 0 H MET A 6 -0.960 19.752 -5.030 1.00 0.00 H new ATOM 0 HA MET A 6 -2.939 21.168 -3.461 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.298 19.175 -2.998 1.00 0.00 H new ATOM 0 HB3 MET A 6 -4.418 19.664 -4.676 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.671 17.899 -5.220 1.00 0.00 H new ATOM 0 HG3 MET A 6 -2.807 17.345 -3.563 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.895 16.879 -6.934 1.00 0.00 H new ATOM 0 HE2 MET A 6 -5.701 18.509 -6.247 1.00 0.00 H new ATOM 0 HE3 MET A 6 -4.312 17.691 -7.001 1.00 0.00 H new ATOM 84 N ALA A 7 -2.084 19.845 -1.378 1.00 0.00 N ATOM 85 CA ALA A 7 -1.289 19.424 -0.229 1.00 0.00 C ATOM 86 C ALA A 7 -2.086 18.517 0.703 1.00 0.00 C ATOM 87 O ALA A 7 -3.293 18.695 0.878 1.00 0.00 O ATOM 88 CB ALA A 7 -0.775 20.640 0.530 1.00 0.00 C ATOM 0 H ALA A 7 -2.989 20.251 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.440 18.851 -0.603 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -0.183 20.312 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.154 21.245 -0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.619 21.234 0.880 1.00 0.00 H new ATOM 94 N GLY A 8 -1.400 17.547 1.300 1.00 0.00 N ATOM 95 CA GLY A 8 -2.045 16.617 2.210 1.00 0.00 C ATOM 96 C GLY A 8 -1.344 15.275 2.242 1.00 0.00 C ATOM 97 O GLY A 8 -1.963 14.236 2.021 1.00 0.00 O ATOM 0 H GLY A 8 -0.401 17.388 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.059 17.043 3.213 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.083 16.476 1.909 1.00 0.00 H new ATOM 101 N ASN A 9 -0.045 15.302 2.521 1.00 0.00 N ATOM 102 CA ASN A 9 0.760 14.085 2.570 1.00 0.00 C ATOM 103 C ASN A 9 0.983 13.622 4.009 1.00 0.00 C ATOM 104 O ASN A 9 1.639 14.307 4.791 1.00 0.00 O ATOM 105 CB ASN A 9 2.106 14.315 1.883 1.00 0.00 C ATOM 106 CG ASN A 9 2.897 13.035 1.712 1.00 0.00 C ATOM 107 OD1 ASN A 9 2.328 11.956 1.561 1.00 0.00 O ATOM 108 ND2 ASN A 9 4.219 13.146 1.735 1.00 0.00 N ATOM 0 H ASN A 9 0.475 16.157 2.718 1.00 0.00 H new ATOM 0 HA ASN A 9 0.214 13.303 2.043 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.939 14.768 0.906 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.692 15.025 2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.802 12.317 1.625 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.652 14.061 1.863 1.00 0.00 H new ATOM 115 N CYS A 10 0.435 12.458 4.349 1.00 0.00 N ATOM 116 CA CYS A 10 0.580 11.904 5.691 1.00 0.00 C ATOM 117 C CYS A 10 0.567 10.377 5.649 1.00 0.00 C ATOM 118 O CYS A 10 0.128 9.782 4.666 1.00 0.00 O ATOM 119 CB CYS A 10 -0.542 12.413 6.599 1.00 0.00 C ATOM 120 SG CYS A 10 -2.200 11.907 6.085 1.00 0.00 S ATOM 0 H CYS A 10 -0.114 11.880 3.712 1.00 0.00 H new ATOM 0 HA CYS A 10 1.538 12.231 6.094 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.364 12.056 7.613 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.501 13.502 6.633 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.077 12.385 6.917 1.00 0.00 H new ATOM 126 N GLY A 11 1.047 9.755 6.721 1.00 0.00 N ATOM 127 CA GLY A 11 1.085 8.304 6.793 1.00 0.00 C ATOM 128 C GLY A 11 1.726 7.821 8.078 1.00 0.00 C ATOM 129 O GLY A 11 2.143 8.634 8.902 1.00 0.00 O ATOM 0 H GLY A 11 1.412 10.232 7.545 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.071 7.910 6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.640 7.912 5.940 1.00 0.00 H new ATOM 133 N ALA A 12 1.812 6.503 8.252 1.00 0.00 N ATOM 134 CA ALA A 12 2.412 5.935 9.454 1.00 0.00 C ATOM 135 C ALA A 12 3.103 4.606 9.157 1.00 0.00 C ATOM 136 O ALA A 12 2.648 3.834 8.314 1.00 0.00 O ATOM 137 CB ALA A 12 1.353 5.743 10.532 1.00 0.00 C ATOM 0 H ALA A 12 1.476 5.814 7.579 1.00 0.00 H new ATOM 0 HA ALA A 12 3.167 6.635 9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.814 5.318 11.424 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.906 6.706 10.778 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.580 5.067 10.166 1.00 0.00 H new ATOM 143 N ARG A 13 4.206 4.356 9.860 1.00 0.00 N ATOM 144 CA ARG A 13 4.974 3.125 9.698 1.00 0.00 C ATOM 145 C ARG A 13 5.828 2.896 10.945 1.00 0.00 C ATOM 146 O ARG A 13 6.281 3.857 11.567 1.00 0.00 O ATOM 147 CB ARG A 13 5.874 3.209 8.459 1.00 0.00 C ATOM 148 CG ARG A 13 6.448 1.868 8.020 1.00 0.00 C ATOM 149 CD ARG A 13 7.672 2.056 7.137 1.00 0.00 C ATOM 150 NE ARG A 13 8.799 2.605 7.890 1.00 0.00 N ATOM 151 CZ ARG A 13 9.892 3.113 7.325 1.00 0.00 C ATOM 152 NH1 ARG A 13 10.865 3.602 8.082 1.00 0.00 N ATOM 153 NH2 ARG A 13 10.011 3.133 6.003 1.00 0.00 N ATOM 0 H ARG A 13 4.590 4.997 10.554 1.00 0.00 H new ATOM 0 HA ARG A 13 4.284 2.292 9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.302 3.635 7.635 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.696 3.895 8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.716 1.280 8.897 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.689 1.304 7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.957 1.099 6.700 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.426 2.723 6.311 1.00 0.00 H new ATOM 0 HE ARG A 13 8.744 2.598 8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.776 3.589 9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.702 3.991 7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.264 2.759 5.418 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.849 3.523 5.572 1.00 0.00 H new ATOM 167 N GLY A 14 6.041 1.639 11.314 1.00 0.00 N ATOM 168 CA GLY A 14 6.842 1.348 12.492 1.00 0.00 C ATOM 169 C GLY A 14 7.074 -0.136 12.690 1.00 0.00 C ATOM 170 O GLY A 14 6.679 -0.946 11.851 1.00 0.00 O ATOM 0 H GLY A 14 5.678 0.821 10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.804 1.854 12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.346 1.755 13.373 1.00 0.00 H new ATOM 174 N ALA A 15 7.730 -0.485 13.800 1.00 0.00 N ATOM 175 CA ALA A 15 8.019 -1.881 14.127 1.00 0.00 C ATOM 176 C ALA A 15 6.733 -2.682 14.301 1.00 0.00 C ATOM 177 O ALA A 15 6.642 -3.836 13.880 1.00 0.00 O ATOM 178 CB ALA A 15 8.872 -1.965 15.385 1.00 0.00 C ATOM 0 H ALA A 15 8.072 0.185 14.489 1.00 0.00 H new ATOM 0 HA ALA A 15 8.576 -2.314 13.296 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.079 -3.010 15.615 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.811 -1.436 15.224 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.338 -1.509 16.218 1.00 0.00 H new ATOM 184 N LEU A 16 5.743 -2.063 14.934 1.00 0.00 N ATOM 185 CA LEU A 16 4.456 -2.707 15.151 1.00 0.00 C ATOM 186 C LEU A 16 3.513 -2.354 14.008 1.00 0.00 C ATOM 187 O LEU A 16 3.495 -1.216 13.538 1.00 0.00 O ATOM 188 CB LEU A 16 3.853 -2.272 16.493 1.00 0.00 C ATOM 189 CG LEU A 16 3.854 -0.764 16.757 1.00 0.00 C ATOM 190 CD1 LEU A 16 2.437 -0.260 16.986 1.00 0.00 C ATOM 191 CD2 LEU A 16 4.739 -0.428 17.947 1.00 0.00 C ATOM 0 H LEU A 16 5.809 -1.115 15.306 1.00 0.00 H new ATOM 0 HA LEU A 16 4.600 -3.787 15.179 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.825 -2.632 16.543 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.403 -2.764 17.295 1.00 0.00 H new ATOM 0 HG LEU A 16 4.259 -0.264 15.877 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.458 0.814 17.172 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.831 -0.463 16.103 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.005 -0.769 17.848 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.726 0.648 18.118 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.366 -0.941 18.834 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.760 -0.751 17.744 1.00 0.00 H new ATOM 203 N SER A 17 2.734 -3.326 13.557 1.00 0.00 N ATOM 204 CA SER A 17 1.814 -3.094 12.458 1.00 0.00 C ATOM 205 C SER A 17 0.495 -2.499 12.949 1.00 0.00 C ATOM 206 O SER A 17 -0.315 -3.178 13.583 1.00 0.00 O ATOM 207 CB SER A 17 1.569 -4.415 11.727 1.00 0.00 C ATOM 208 OG SER A 17 1.421 -5.485 12.648 1.00 0.00 O ATOM 0 H SER A 17 2.721 -4.274 13.932 1.00 0.00 H new ATOM 0 HA SER A 17 2.258 -2.371 11.774 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.673 -4.334 11.111 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.401 -4.622 11.054 1.00 0.00 H new ATOM 0 HG SER A 17 0.485 -5.773 12.667 1.00 0.00 H new ATOM 214 N ALA A 18 0.283 -1.222 12.632 1.00 0.00 N ATOM 215 CA ALA A 18 -0.940 -0.519 13.016 1.00 0.00 C ATOM 216 C ALA A 18 -2.000 -0.647 11.928 1.00 0.00 C ATOM 217 O ALA A 18 -3.153 -0.261 12.113 1.00 0.00 O ATOM 218 CB ALA A 18 -0.641 0.946 13.297 1.00 0.00 C ATOM 0 H ALA A 18 0.946 -0.651 12.108 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.328 -0.977 13.926 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.561 1.457 13.582 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.082 1.020 14.109 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.230 1.412 12.401 1.00 0.00 H new ATOM 224 N HIS A 19 -1.589 -1.205 10.797 1.00 0.00 N ATOM 225 CA HIS A 19 -2.470 -1.384 9.651 1.00 0.00 C ATOM 226 C HIS A 19 -2.919 -2.836 9.521 1.00 0.00 C ATOM 227 O HIS A 19 -3.285 -3.271 8.442 1.00 0.00 O ATOM 228 CB HIS A 19 -1.770 -0.946 8.358 1.00 0.00 C ATOM 229 CG HIS A 19 -1.469 0.519 8.290 1.00 0.00 C ATOM 230 ND1 HIS A 19 -0.357 1.102 8.858 1.00 0.00 N ATOM 231 CD2 HIS A 19 -2.159 1.528 7.700 1.00 0.00 C ATOM 232 CE1 HIS A 19 -0.405 2.415 8.599 1.00 0.00 C ATOM 233 NE2 HIS A 19 -1.479 2.725 7.899 1.00 0.00 N ATOM 0 H HIS A 19 -0.639 -1.545 10.648 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.349 -0.761 9.813 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -0.838 -1.502 8.256 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.397 -1.217 7.509 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -3.089 1.419 7.161 1.00 0.00 H new ATOM 0 HE1 HIS A 19 0.339 3.128 8.922 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.754 3.651 7.571 1.00 0.00 H new ATOM 240 N THR A 20 -2.861 -3.593 10.611 1.00 0.00 N ATOM 241 CA THR A 20 -3.245 -5.003 10.570 1.00 0.00 C ATOM 242 C THR A 20 -4.766 -5.194 10.503 1.00 0.00 C ATOM 243 O THR A 20 -5.480 -4.893 11.462 1.00 0.00 O ATOM 244 CB THR A 20 -2.711 -5.753 11.808 1.00 0.00 C ATOM 245 OG1 THR A 20 -1.322 -5.469 11.991 1.00 0.00 O ATOM 246 CG2 THR A 20 -2.900 -7.258 11.663 1.00 0.00 C ATOM 0 H THR A 20 -2.555 -3.261 11.526 1.00 0.00 H new ATOM 0 HA THR A 20 -2.803 -5.412 9.661 1.00 0.00 H new ATOM 0 HB THR A 20 -3.276 -5.412 12.675 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.222 -4.660 12.535 1.00 0.00 H new ATOM 0 HG21 THR A 20 -2.514 -7.760 12.550 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.961 -7.482 11.551 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.360 -7.609 10.784 1.00 0.00 H new ATOM 254 N LEU A 21 -5.235 -5.723 9.369 1.00 0.00 N ATOM 255 CA LEU A 21 -6.655 -6.014 9.143 1.00 0.00 C ATOM 256 C LEU A 21 -6.797 -7.037 8.014 1.00 0.00 C ATOM 257 O LEU A 21 -5.858 -7.253 7.253 1.00 0.00 O ATOM 258 CB LEU A 21 -7.459 -4.746 8.832 1.00 0.00 C ATOM 259 CG LEU A 21 -7.907 -3.942 10.061 1.00 0.00 C ATOM 260 CD1 LEU A 21 -8.455 -2.584 9.654 1.00 0.00 C ATOM 261 CD2 LEU A 21 -8.950 -4.718 10.854 1.00 0.00 C ATOM 0 H LEU A 21 -4.638 -5.963 8.578 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.065 -6.431 10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.856 -4.100 8.194 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.343 -5.026 8.258 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.035 -3.780 10.694 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.765 -2.035 10.543 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.681 -2.021 9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.312 -2.720 8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.256 -4.134 11.722 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -9.817 -4.912 10.223 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.524 -5.665 11.186 1.00 0.00 H new ATOM 273 N LEU A 22 -7.962 -7.680 7.925 1.00 0.00 N ATOM 274 CA LEU A 22 -8.204 -8.710 6.904 1.00 0.00 C ATOM 275 C LEU A 22 -8.159 -8.169 5.465 1.00 0.00 C ATOM 276 O LEU A 22 -7.474 -8.734 4.613 1.00 0.00 O ATOM 277 CB LEU A 22 -9.560 -9.381 7.160 1.00 0.00 C ATOM 278 CG LEU A 22 -9.943 -10.487 6.172 1.00 0.00 C ATOM 279 CD1 LEU A 22 -8.958 -11.644 6.247 1.00 0.00 C ATOM 280 CD2 LEU A 22 -11.360 -10.973 6.438 1.00 0.00 C ATOM 0 H LEU A 22 -8.754 -7.509 8.545 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.393 -9.433 6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.554 -9.802 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.335 -8.615 7.140 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.904 -10.072 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.250 -12.417 5.537 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.958 -11.287 6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.959 -12.058 7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.615 -11.759 5.727 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.425 -11.367 7.452 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.057 -10.142 6.326 1.00 0.00 H new ATOM 292 N PHE A 23 -8.884 -7.084 5.192 1.00 0.00 N ATOM 293 CA PHE A 23 -8.918 -6.511 3.837 1.00 0.00 C ATOM 294 C PHE A 23 -7.706 -5.626 3.566 1.00 0.00 C ATOM 295 O PHE A 23 -7.188 -5.574 2.448 1.00 0.00 O ATOM 296 CB PHE A 23 -10.206 -5.707 3.628 1.00 0.00 C ATOM 297 CG PHE A 23 -11.449 -6.554 3.613 1.00 0.00 C ATOM 298 CD1 PHE A 23 -12.213 -6.714 4.759 1.00 0.00 C ATOM 299 CD2 PHE A 23 -11.851 -7.194 2.450 1.00 0.00 C ATOM 300 CE1 PHE A 23 -13.353 -7.493 4.744 1.00 0.00 C ATOM 301 CE2 PHE A 23 -12.991 -7.973 2.430 1.00 0.00 C ATOM 302 CZ PHE A 23 -13.743 -8.123 3.579 1.00 0.00 C ATOM 0 H PHE A 23 -9.451 -6.586 5.878 1.00 0.00 H new ATOM 0 HA PHE A 23 -8.892 -7.342 3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.293 -4.963 4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -10.136 -5.163 2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.913 -6.224 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.266 -7.082 1.549 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.939 -7.609 5.643 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.294 -8.464 1.517 1.00 0.00 H new ATOM 0 HZ PHE A 23 -14.635 -8.732 3.566 1.00 0.00 H new ATOM 312 N ASP A 24 -7.272 -4.925 4.598 1.00 0.00 N ATOM 313 CA ASP A 24 -6.120 -4.039 4.515 1.00 0.00 C ATOM 314 C ASP A 24 -4.988 -4.593 5.358 1.00 0.00 C ATOM 315 O ASP A 24 -4.715 -4.084 6.434 1.00 0.00 O ATOM 316 CB ASP A 24 -6.443 -2.591 4.924 1.00 0.00 C ATOM 317 CG ASP A 24 -7.270 -2.473 6.189 1.00 0.00 C ATOM 318 OD1 ASP A 24 -8.370 -3.071 6.247 1.00 0.00 O ATOM 319 OD2 ASP A 24 -6.823 -1.775 7.119 1.00 0.00 O ATOM 0 H ASP A 24 -7.708 -4.953 5.520 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.817 -4.000 3.469 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.509 -2.047 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.977 -2.105 4.107 1.00 0.00 H new ATOM 324 N LEU A 25 -4.399 -5.691 4.881 1.00 0.00 N ATOM 325 CA LEU A 25 -3.293 -6.377 5.561 1.00 0.00 C ATOM 326 C LEU A 25 -2.233 -5.389 6.075 1.00 0.00 C ATOM 327 O LEU A 25 -2.126 -4.270 5.569 1.00 0.00 O ATOM 328 CB LEU A 25 -2.646 -7.377 4.596 1.00 0.00 C ATOM 329 CG LEU A 25 -3.558 -8.517 4.139 1.00 0.00 C ATOM 330 CD1 LEU A 25 -2.877 -9.358 3.070 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.970 -9.383 5.320 1.00 0.00 C ATOM 0 H LEU A 25 -4.676 -6.134 4.005 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.702 -6.899 6.426 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.297 -6.836 3.716 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.767 -7.806 5.077 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.457 -8.079 3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.544 -10.162 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.640 -8.731 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.958 -9.784 3.473 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.618 -10.188 4.973 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.082 -9.809 5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.506 -8.774 6.048 1.00 0.00 H new ATOM 343 N PRO A 26 -1.445 -5.812 7.102 1.00 0.00 N ATOM 344 CA PRO A 26 -0.387 -5.006 7.750 1.00 0.00 C ATOM 345 C PRO A 26 0.440 -4.135 6.791 1.00 0.00 C ATOM 346 O PRO A 26 0.431 -4.344 5.575 1.00 0.00 O ATOM 347 CB PRO A 26 0.516 -6.071 8.410 1.00 0.00 C ATOM 348 CG PRO A 26 -0.102 -7.400 8.105 1.00 0.00 C ATOM 349 CD PRO A 26 -1.529 -7.133 7.733 1.00 0.00 C ATOM 0 HA PRO A 26 -0.828 -4.284 8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 26 1.531 -6.016 8.017 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.581 -5.911 9.486 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.425 -7.894 7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.044 -8.062 8.969 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.919 -7.887 7.049 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.182 -7.126 8.605 1.00 0.00 H new ATOM 357 N PRO A 27 1.213 -3.162 7.349 1.00 0.00 N ATOM 358 CA PRO A 27 2.043 -2.224 6.576 1.00 0.00 C ATOM 359 C PRO A 27 2.950 -2.875 5.537 1.00 0.00 C ATOM 360 O PRO A 27 3.560 -2.181 4.742 1.00 0.00 O ATOM 361 CB PRO A 27 2.895 -1.524 7.631 1.00 0.00 C ATOM 362 CG PRO A 27 2.076 -1.583 8.861 1.00 0.00 C ATOM 363 CD PRO A 27 1.316 -2.883 8.794 1.00 0.00 C ATOM 0 HA PRO A 27 1.401 -1.564 5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.853 -2.027 7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.113 -0.494 7.347 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.705 -1.544 9.750 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.394 -0.735 8.916 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.843 -3.681 9.318 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.332 -2.794 9.255 1.00 0.00 H new ATOM 371 N ALA A 28 3.048 -4.196 5.547 1.00 0.00 N ATOM 372 CA ALA A 28 3.877 -4.904 4.587 1.00 0.00 C ATOM 373 C ALA A 28 3.475 -4.543 3.157 1.00 0.00 C ATOM 374 O ALA A 28 4.330 -4.451 2.276 1.00 0.00 O ATOM 375 CB ALA A 28 3.767 -6.407 4.803 1.00 0.00 C ATOM 0 H ALA A 28 2.562 -4.799 6.211 1.00 0.00 H new ATOM 0 HA ALA A 28 4.913 -4.602 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.393 -6.926 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.099 -6.655 5.811 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.730 -6.718 4.676 1.00 0.00 H new ATOM 381 N LEU A 29 2.176 -4.341 2.918 1.00 0.00 N ATOM 382 CA LEU A 29 1.723 -3.978 1.579 1.00 0.00 C ATOM 383 C LEU A 29 1.278 -2.512 1.486 1.00 0.00 C ATOM 384 O LEU A 29 2.034 -1.668 1.021 1.00 0.00 O ATOM 385 CB LEU A 29 0.588 -4.895 1.122 1.00 0.00 C ATOM 386 CG LEU A 29 0.674 -5.317 -0.345 1.00 0.00 C ATOM 387 CD1 LEU A 29 2.020 -5.966 -0.625 1.00 0.00 C ATOM 388 CD2 LEU A 29 -0.458 -6.266 -0.698 1.00 0.00 C ATOM 0 H LEU A 29 1.438 -4.421 3.617 1.00 0.00 H new ATOM 0 HA LEU A 29 2.580 -4.105 0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.585 -5.789 1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.363 -4.388 1.287 1.00 0.00 H new ATOM 0 HG LEU A 29 0.578 -4.427 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.070 -6.263 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.818 -5.255 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.138 -6.846 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.378 -6.554 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.396 -7.156 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.414 -5.770 -0.530 1.00 0.00 H new ATOM 400 N LEU A 30 0.066 -2.206 1.957 1.00 0.00 N ATOM 401 CA LEU A 30 -0.468 -0.841 1.881 1.00 0.00 C ATOM 402 C LEU A 30 0.362 0.180 2.660 1.00 0.00 C ATOM 403 O LEU A 30 0.714 1.222 2.116 1.00 0.00 O ATOM 404 CB LEU A 30 -1.922 -0.796 2.378 1.00 0.00 C ATOM 405 CG LEU A 30 -2.936 -0.192 1.396 1.00 0.00 C ATOM 406 CD1 LEU A 30 -4.320 -0.150 2.026 1.00 0.00 C ATOM 407 CD2 LEU A 30 -2.511 1.205 0.966 1.00 0.00 C ATOM 0 H LEU A 30 -0.562 -2.881 2.393 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.421 -0.564 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.237 -1.811 2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.954 -0.223 3.305 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.970 -0.826 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.029 0.281 1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.633 -1.162 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.291 0.461 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.246 1.611 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.445 1.851 1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.538 1.155 0.477 1.00 0.00 H new ATOM 419 N GLY A 31 0.691 -0.120 3.915 1.00 0.00 N ATOM 420 CA GLY A 31 1.437 0.834 4.732 1.00 0.00 C ATOM 421 C GLY A 31 2.798 1.224 4.166 1.00 0.00 C ATOM 422 O GLY A 31 3.098 2.409 4.024 1.00 0.00 O ATOM 0 H GLY A 31 0.459 -0.997 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.837 1.736 4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.579 0.409 5.725 1.00 0.00 H new ATOM 426 N GLU A 32 3.613 0.234 3.828 1.00 0.00 N ATOM 427 CA GLU A 32 4.950 0.483 3.296 1.00 0.00 C ATOM 428 C GLU A 32 4.933 1.012 1.864 1.00 0.00 C ATOM 429 O GLU A 32 5.665 1.946 1.544 1.00 0.00 O ATOM 430 CB GLU A 32 5.790 -0.793 3.384 1.00 0.00 C ATOM 431 CG GLU A 32 7.272 -0.582 3.093 1.00 0.00 C ATOM 432 CD GLU A 32 7.622 -0.760 1.630 1.00 0.00 C ATOM 433 OE1 GLU A 32 6.874 -1.465 0.921 1.00 0.00 O ATOM 434 OE2 GLU A 32 8.648 -0.200 1.192 1.00 0.00 O ATOM 0 H GLU A 32 3.372 -0.754 3.912 1.00 0.00 H new ATOM 0 HA GLU A 32 5.399 1.265 3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.683 -1.218 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.393 -1.526 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 32 7.559 0.421 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.856 -1.284 3.688 1.00 0.00 H new ATOM 441 N LEU A 33 4.104 0.427 1.002 1.00 0.00 N ATOM 442 CA LEU A 33 4.061 0.852 -0.395 1.00 0.00 C ATOM 443 C LEU A 33 3.528 2.277 -0.552 1.00 0.00 C ATOM 444 O LEU A 33 4.027 3.031 -1.383 1.00 0.00 O ATOM 445 CB LEU A 33 3.255 -0.130 -1.259 1.00 0.00 C ATOM 446 CG LEU A 33 3.879 -1.524 -1.404 1.00 0.00 C ATOM 447 CD1 LEU A 33 2.941 -2.455 -2.159 1.00 0.00 C ATOM 448 CD2 LEU A 33 5.228 -1.443 -2.102 1.00 0.00 C ATOM 0 H LEU A 33 3.463 -0.330 1.240 1.00 0.00 H new ATOM 0 HA LEU A 33 5.091 0.850 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.259 -0.237 -0.829 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.129 0.301 -2.252 1.00 0.00 H new ATOM 0 HG LEU A 33 4.037 -1.931 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.401 -3.439 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.001 -2.544 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.748 -2.050 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.651 -2.443 -2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.099 -1.012 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.902 -0.816 -1.519 1.00 0.00 H new ATOM 460 N CYS A 34 2.522 2.658 0.230 1.00 0.00 N ATOM 461 CA CYS A 34 1.975 4.010 0.117 1.00 0.00 C ATOM 462 C CYS A 34 2.897 5.058 0.750 1.00 0.00 C ATOM 463 O CYS A 34 2.959 6.195 0.287 1.00 0.00 O ATOM 464 CB CYS A 34 0.576 4.101 0.742 1.00 0.00 C ATOM 465 SG CYS A 34 0.556 4.066 2.550 1.00 0.00 S ATOM 0 H CYS A 34 2.077 2.068 0.933 1.00 0.00 H new ATOM 0 HA CYS A 34 1.899 4.225 -0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.101 5.022 0.404 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.029 3.275 0.369 1.00 0.00 H new ATOM 0 HG CYS A 34 0.616 2.834 2.961 1.00 0.00 H new ATOM 471 N ALA A 35 3.619 4.674 1.803 1.00 0.00 N ATOM 472 CA ALA A 35 4.510 5.608 2.497 1.00 0.00 C ATOM 473 C ALA A 35 5.899 5.713 1.858 1.00 0.00 C ATOM 474 O ALA A 35 6.340 6.805 1.500 1.00 0.00 O ATOM 475 CB ALA A 35 4.640 5.219 3.962 1.00 0.00 C ATOM 0 H ALA A 35 3.606 3.731 2.193 1.00 0.00 H new ATOM 0 HA ALA A 35 4.051 6.593 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.304 5.920 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.658 5.245 4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.051 4.212 4.036 1.00 0.00 H new ATOM 481 N VAL A 36 6.580 4.578 1.721 1.00 0.00 N ATOM 482 CA VAL A 36 7.935 4.550 1.165 1.00 0.00 C ATOM 483 C VAL A 36 7.984 4.994 -0.299 1.00 0.00 C ATOM 484 O VAL A 36 8.839 5.800 -0.677 1.00 0.00 O ATOM 485 CB VAL A 36 8.570 3.145 1.311 1.00 0.00 C ATOM 486 CG1 VAL A 36 9.887 3.048 0.549 1.00 0.00 C ATOM 487 CG2 VAL A 36 8.782 2.814 2.779 1.00 0.00 C ATOM 0 H VAL A 36 6.217 3.663 1.987 1.00 0.00 H new ATOM 0 HA VAL A 36 8.515 5.268 1.745 1.00 0.00 H new ATOM 0 HB VAL A 36 7.881 2.419 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.306 2.049 0.672 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.710 3.239 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.588 3.786 0.939 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.229 1.824 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.446 3.553 3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.823 2.827 3.297 1.00 0.00 H new ATOM 497 N LEU A 37 7.062 4.495 -1.117 1.00 0.00 N ATOM 498 CA LEU A 37 7.050 4.847 -2.537 1.00 0.00 C ATOM 499 C LEU A 37 6.590 6.288 -2.741 1.00 0.00 C ATOM 500 O LEU A 37 6.805 6.870 -3.797 1.00 0.00 O ATOM 501 CB LEU A 37 6.169 3.896 -3.348 1.00 0.00 C ATOM 502 CG LEU A 37 6.550 2.416 -3.276 1.00 0.00 C ATOM 503 CD1 LEU A 37 5.628 1.594 -4.155 1.00 0.00 C ATOM 504 CD2 LEU A 37 8.003 2.209 -3.681 1.00 0.00 C ATOM 0 H LEU A 37 6.322 3.854 -0.829 1.00 0.00 H new ATOM 0 HA LEU A 37 8.074 4.751 -2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.139 4.004 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.194 4.208 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 37 6.438 2.082 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.910 0.543 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.599 1.714 -3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 37 5.711 1.933 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.250 1.149 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.149 2.559 -4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.652 2.771 -3.009 1.00 0.00 H new ATOM 516 N ASP A 38 5.930 6.855 -1.735 1.00 0.00 N ATOM 517 CA ASP A 38 5.461 8.238 -1.808 1.00 0.00 C ATOM 518 C ASP A 38 6.632 9.197 -2.009 1.00 0.00 C ATOM 519 O ASP A 38 6.528 10.179 -2.744 1.00 0.00 O ATOM 520 CB ASP A 38 4.686 8.613 -0.541 1.00 0.00 C ATOM 521 CG ASP A 38 4.234 10.059 -0.541 1.00 0.00 C ATOM 522 OD1 ASP A 38 3.140 10.338 -1.067 1.00 0.00 O ATOM 523 OD2 ASP A 38 4.984 10.914 -0.020 1.00 0.00 O ATOM 0 H ASP A 38 5.707 6.380 -0.860 1.00 0.00 H new ATOM 0 HA ASP A 38 4.792 8.322 -2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.815 7.964 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.314 8.433 0.331 1.00 0.00 H new ATOM 528 N SER A 39 7.747 8.898 -1.352 1.00 0.00 N ATOM 529 CA SER A 39 8.948 9.727 -1.444 1.00 0.00 C ATOM 530 C SER A 39 9.773 9.381 -2.686 1.00 0.00 C ATOM 531 O SER A 39 10.854 9.933 -2.898 1.00 0.00 O ATOM 532 CB SER A 39 9.801 9.566 -0.180 1.00 0.00 C ATOM 533 OG SER A 39 10.271 8.234 -0.034 1.00 0.00 O ATOM 0 H SER A 39 7.846 8.083 -0.746 1.00 0.00 H new ATOM 0 HA SER A 39 8.631 10.766 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 39 10.649 10.249 -0.223 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.213 9.843 0.695 1.00 0.00 H new ATOM 0 HG SER A 39 9.631 7.615 -0.444 1.00 0.00 H new ATOM 539 N CYS A 40 9.258 8.459 -3.495 1.00 0.00 N ATOM 540 CA CYS A 40 9.934 8.021 -4.713 1.00 0.00 C ATOM 541 C CYS A 40 10.107 9.157 -5.716 1.00 0.00 C ATOM 542 O CYS A 40 9.224 9.995 -5.894 1.00 0.00 O ATOM 543 CB CYS A 40 9.168 6.879 -5.368 1.00 0.00 C ATOM 544 SG CYS A 40 9.911 6.281 -6.894 1.00 0.00 S ATOM 0 H CYS A 40 8.365 7.996 -3.326 1.00 0.00 H new ATOM 0 HA CYS A 40 10.926 7.678 -4.418 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.096 6.051 -4.662 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.151 7.210 -5.576 1.00 0.00 H new ATOM 0 HG CYS A 40 9.083 6.463 -7.880 1.00 0.00 H new ATOM 550 N ASP A 41 11.255 9.157 -6.375 1.00 0.00 N ATOM 551 CA ASP A 41 11.582 10.171 -7.370 1.00 0.00 C ATOM 552 C ASP A 41 12.140 9.501 -8.620 1.00 0.00 C ATOM 553 O ASP A 41 13.165 9.912 -9.162 1.00 0.00 O ATOM 554 CB ASP A 41 12.597 11.170 -6.804 1.00 0.00 C ATOM 555 CG ASP A 41 12.591 12.488 -7.553 1.00 0.00 C ATOM 556 OD1 ASP A 41 11.595 12.769 -8.255 1.00 0.00 O ATOM 557 OD2 ASP A 41 13.579 13.242 -7.434 1.00 0.00 O ATOM 0 H ASP A 41 11.985 8.458 -6.237 1.00 0.00 H new ATOM 0 HA ASP A 41 10.675 10.716 -7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.376 11.352 -5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.595 10.734 -6.849 1.00 0.00 H new ATOM 562 N GLY A 42 11.457 8.447 -9.057 1.00 0.00 N ATOM 563 CA GLY A 42 11.876 7.712 -10.240 1.00 0.00 C ATOM 564 C GLY A 42 12.742 6.506 -9.919 1.00 0.00 C ATOM 565 O GLY A 42 12.977 5.667 -10.787 1.00 0.00 O ATOM 0 H GLY A 42 10.614 8.086 -8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.993 7.382 -10.787 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.427 8.382 -10.900 1.00 0.00 H new ATOM 569 N ALA A 43 13.223 6.420 -8.678 1.00 0.00 N ATOM 570 CA ALA A 43 14.063 5.295 -8.252 1.00 0.00 C ATOM 571 C ALA A 43 13.299 3.971 -8.307 1.00 0.00 C ATOM 572 O ALA A 43 13.831 2.953 -8.745 1.00 0.00 O ATOM 573 CB ALA A 43 14.598 5.539 -6.848 1.00 0.00 C ATOM 0 H ALA A 43 13.047 7.113 -7.950 1.00 0.00 H new ATOM 0 HA ALA A 43 14.901 5.223 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 43 15.220 4.697 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.194 6.452 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.764 5.644 -6.154 1.00 0.00 H new ATOM 579 N LEU A 44 12.053 4.001 -7.849 1.00 0.00 N ATOM 580 CA LEU A 44 11.199 2.813 -7.857 1.00 0.00 C ATOM 581 C LEU A 44 10.012 3.025 -8.790 1.00 0.00 C ATOM 582 O LEU A 44 9.443 2.074 -9.322 1.00 0.00 O ATOM 583 CB LEU A 44 10.685 2.492 -6.442 1.00 0.00 C ATOM 584 CG LEU A 44 11.711 2.655 -5.312 1.00 0.00 C ATOM 585 CD1 LEU A 44 11.458 3.937 -4.531 1.00 0.00 C ATOM 586 CD2 LEU A 44 11.672 1.453 -4.380 1.00 0.00 C ATOM 0 H LEU A 44 11.608 4.835 -7.466 1.00 0.00 H new ATOM 0 HA LEU A 44 11.797 1.973 -8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.832 3.136 -6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.320 1.465 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 44 12.702 2.717 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.198 4.030 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 44 11.536 4.793 -5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.459 3.907 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.406 1.585 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.677 1.363 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.905 0.549 -4.942 1.00 0.00 H new ATOM 598 N GLY A 45 9.661 4.291 -8.989 1.00 0.00 N ATOM 599 CA GLY A 45 8.535 4.638 -9.829 1.00 0.00 C ATOM 600 C GLY A 45 7.213 4.481 -9.101 1.00 0.00 C ATOM 601 O GLY A 45 6.784 3.359 -8.845 1.00 0.00 O ATOM 0 H GLY A 45 10.144 5.089 -8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.641 5.668 -10.170 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.537 4.006 -10.717 1.00 0.00 H new ATOM 605 N TRP A 46 6.572 5.600 -8.748 1.00 0.00 N ATOM 606 CA TRP A 46 5.274 5.546 -8.059 1.00 0.00 C ATOM 607 C TRP A 46 4.274 4.684 -8.835 1.00 0.00 C ATOM 608 O TRP A 46 3.578 3.851 -8.255 1.00 0.00 O ATOM 609 CB TRP A 46 4.704 6.959 -7.845 1.00 0.00 C ATOM 610 CG TRP A 46 4.868 7.884 -9.018 1.00 0.00 C ATOM 611 CD1 TRP A 46 4.018 8.032 -10.075 1.00 0.00 C ATOM 612 CD2 TRP A 46 5.944 8.804 -9.237 1.00 0.00 C ATOM 613 NE1 TRP A 46 4.505 8.976 -10.944 1.00 0.00 N ATOM 614 CE2 TRP A 46 5.685 9.467 -10.451 1.00 0.00 C ATOM 615 CE3 TRP A 46 7.102 9.130 -8.527 1.00 0.00 C ATOM 616 CZ2 TRP A 46 6.541 10.435 -10.970 1.00 0.00 C ATOM 617 CZ3 TRP A 46 7.952 10.091 -9.041 1.00 0.00 C ATOM 618 CH2 TRP A 46 7.668 10.734 -10.253 1.00 0.00 C ATOM 0 H TRP A 46 6.922 6.542 -8.924 1.00 0.00 H new ATOM 0 HA TRP A 46 5.438 5.088 -7.083 1.00 0.00 H new ATOM 0 HB2 TRP A 46 3.643 6.877 -7.610 1.00 0.00 H new ATOM 0 HB3 TRP A 46 5.190 7.405 -6.977 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.096 7.486 -10.208 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.061 9.265 -11.815 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.329 8.639 -7.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 6.324 10.932 -11.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 8.850 10.351 -8.500 1.00 0.00 H new ATOM 0 HH2 TRP A 46 8.352 11.480 -10.629 1.00 0.00 H new ATOM 629 N ARG A 47 4.204 4.897 -10.147 1.00 0.00 N ATOM 630 CA ARG A 47 3.324 4.119 -11.015 1.00 0.00 C ATOM 631 C ARG A 47 3.954 2.796 -11.421 1.00 0.00 C ATOM 632 O ARG A 47 3.357 2.056 -12.172 1.00 0.00 O ATOM 633 CB ARG A 47 2.930 4.887 -12.284 1.00 0.00 C ATOM 634 CG ARG A 47 4.109 5.299 -13.151 1.00 0.00 C ATOM 635 CD ARG A 47 3.652 6.077 -14.374 1.00 0.00 C ATOM 636 NE ARG A 47 4.776 6.481 -15.215 1.00 0.00 N ATOM 637 CZ ARG A 47 4.646 7.185 -16.337 1.00 0.00 C ATOM 638 NH1 ARG A 47 5.718 7.510 -17.046 1.00 0.00 N ATOM 639 NH2 ARG A 47 3.441 7.561 -16.748 1.00 0.00 N ATOM 0 H ARG A 47 4.750 5.607 -10.635 1.00 0.00 H new ATOM 0 HA ARG A 47 2.427 3.927 -10.426 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.256 4.268 -12.876 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.374 5.780 -11.998 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.797 5.909 -12.566 1.00 0.00 H new ATOM 0 HG3 ARG A 47 4.658 4.412 -13.466 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.964 5.465 -14.957 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.100 6.962 -14.056 1.00 0.00 H new ATOM 0 HE ARG A 47 5.715 6.208 -14.926 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.644 7.220 -16.732 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.617 8.050 -17.906 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.615 7.310 -16.204 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.341 8.101 -17.608 1.00 0.00 H new ATOM 653 N GLY A 48 5.154 2.500 -10.936 1.00 0.00 N ATOM 654 CA GLY A 48 5.824 1.269 -11.338 1.00 0.00 C ATOM 655 C GLY A 48 5.013 0.021 -11.046 1.00 0.00 C ATOM 656 O GLY A 48 4.921 -0.867 -11.893 1.00 0.00 O ATOM 0 H GLY A 48 5.674 3.081 -10.278 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.039 1.313 -12.406 1.00 0.00 H new ATOM 0 HA3 GLY A 48 6.782 1.200 -10.823 1.00 0.00 H new ATOM 660 N LEU A 49 4.419 -0.052 -9.864 1.00 0.00 N ATOM 661 CA LEU A 49 3.610 -1.211 -9.503 1.00 0.00 C ATOM 662 C LEU A 49 2.267 -1.205 -10.248 1.00 0.00 C ATOM 663 O LEU A 49 1.823 -2.237 -10.762 1.00 0.00 O ATOM 664 CB LEU A 49 3.384 -1.237 -7.990 1.00 0.00 C ATOM 665 CG LEU A 49 4.663 -1.309 -7.147 1.00 0.00 C ATOM 666 CD1 LEU A 49 4.322 -1.328 -5.668 1.00 0.00 C ATOM 667 CD2 LEU A 49 5.489 -2.532 -7.516 1.00 0.00 C ATOM 0 H LEU A 49 4.479 0.668 -9.144 1.00 0.00 H new ATOM 0 HA LEU A 49 4.149 -2.111 -9.798 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.828 -0.344 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.757 -2.094 -7.746 1.00 0.00 H new ATOM 0 HG LEU A 49 5.258 -0.421 -7.357 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.241 -1.379 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.777 -0.420 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.703 -2.198 -5.448 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.391 -2.560 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.903 -3.434 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.766 -2.480 -8.569 1.00 0.00 H new ATOM 679 N ALA A 50 1.630 -0.031 -10.307 1.00 0.00 N ATOM 680 CA ALA A 50 0.340 0.126 -10.992 1.00 0.00 C ATOM 681 C ALA A 50 0.445 -0.121 -12.494 1.00 0.00 C ATOM 682 O ALA A 50 -0.444 -0.723 -13.101 1.00 0.00 O ATOM 683 CB ALA A 50 -0.224 1.514 -10.742 1.00 0.00 C ATOM 0 H ALA A 50 1.987 0.828 -9.888 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.332 -0.627 -10.579 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.180 1.616 -11.256 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.370 1.660 -9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.472 2.263 -11.119 1.00 0.00 H new ATOM 689 N GLU A 51 1.538 0.357 -13.079 1.00 0.00 N ATOM 690 CA GLU A 51 1.784 0.240 -14.508 1.00 0.00 C ATOM 691 C GLU A 51 1.842 -1.227 -14.930 1.00 0.00 C ATOM 692 O GLU A 51 1.292 -1.606 -15.963 1.00 0.00 O ATOM 693 CB GLU A 51 3.101 0.933 -14.880 1.00 0.00 C ATOM 694 CG GLU A 51 3.407 0.923 -16.372 1.00 0.00 C ATOM 695 CD GLU A 51 4.712 1.618 -16.707 1.00 0.00 C ATOM 696 OE1 GLU A 51 5.395 2.094 -15.774 1.00 0.00 O ATOM 697 OE2 GLU A 51 5.057 1.680 -17.905 1.00 0.00 O ATOM 0 H GLU A 51 2.280 0.838 -12.571 1.00 0.00 H new ATOM 0 HA GLU A 51 0.961 0.725 -15.033 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.066 1.966 -14.534 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.919 0.446 -14.349 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.449 -0.108 -16.723 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.593 1.410 -16.909 1.00 0.00 H new ATOM 704 N ARG A 52 2.517 -2.042 -14.119 1.00 0.00 N ATOM 705 CA ARG A 52 2.654 -3.470 -14.398 1.00 0.00 C ATOM 706 C ARG A 52 1.299 -4.170 -14.405 1.00 0.00 C ATOM 707 O ARG A 52 1.041 -5.014 -15.264 1.00 0.00 O ATOM 708 CB ARG A 52 3.578 -4.138 -13.372 1.00 0.00 C ATOM 709 CG ARG A 52 4.952 -4.495 -13.921 1.00 0.00 C ATOM 710 CD ARG A 52 5.850 -3.275 -14.026 1.00 0.00 C ATOM 711 NE ARG A 52 6.027 -2.841 -15.412 1.00 0.00 N ATOM 712 CZ ARG A 52 6.546 -1.667 -15.758 1.00 0.00 C ATOM 713 NH1 ARG A 52 6.691 -1.355 -17.038 1.00 0.00 N ATOM 714 NH2 ARG A 52 6.918 -0.803 -14.820 1.00 0.00 N ATOM 0 H ARG A 52 2.978 -1.736 -13.262 1.00 0.00 H new ATOM 0 HA ARG A 52 3.095 -3.566 -15.390 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.700 -3.471 -12.519 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.099 -5.044 -13.002 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.421 -5.237 -13.274 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.843 -4.952 -14.904 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.423 -2.459 -13.443 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.823 -3.503 -13.591 1.00 0.00 H new ATOM 0 HE ARG A 52 5.735 -3.476 -16.155 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.404 -2.016 -17.760 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.089 -0.454 -17.301 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.805 -1.040 -13.834 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.316 0.098 -15.085 1.00 0.00 H new ATOM 728 N LEU A 53 0.441 -3.835 -13.442 1.00 0.00 N ATOM 729 CA LEU A 53 -0.883 -4.452 -13.377 1.00 0.00 C ATOM 730 C LEU A 53 -1.751 -3.998 -14.555 1.00 0.00 C ATOM 731 O LEU A 53 -2.493 -4.797 -15.130 1.00 0.00 O ATOM 732 CB LEU A 53 -1.580 -4.161 -12.040 1.00 0.00 C ATOM 733 CG LEU A 53 -2.947 -4.839 -11.871 1.00 0.00 C ATOM 734 CD1 LEU A 53 -2.808 -6.351 -11.964 1.00 0.00 C ATOM 735 CD2 LEU A 53 -3.580 -4.456 -10.544 1.00 0.00 C ATOM 0 H LEU A 53 0.633 -3.153 -12.709 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.746 -5.531 -13.445 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.927 -4.481 -11.228 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.709 -3.083 -11.939 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.595 -4.495 -12.677 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.787 -6.815 -11.842 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.398 -6.620 -12.938 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.139 -6.704 -11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.548 -4.948 -10.447 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.930 -4.769 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.717 -3.375 -10.505 1.00 0.00 H new ATOM 747 N SER A 54 -1.648 -2.707 -14.903 1.00 0.00 N ATOM 748 CA SER A 54 -2.405 -2.125 -16.020 1.00 0.00 C ATOM 749 C SER A 54 -3.917 -2.261 -15.825 1.00 0.00 C ATOM 750 O SER A 54 -4.620 -2.752 -16.709 1.00 0.00 O ATOM 751 CB SER A 54 -1.994 -2.770 -17.349 1.00 0.00 C ATOM 752 OG SER A 54 -0.640 -2.495 -17.665 1.00 0.00 O ATOM 0 H SER A 54 -1.042 -2.042 -14.422 1.00 0.00 H new ATOM 0 HA SER A 54 -2.165 -1.062 -16.044 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.143 -3.848 -17.292 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.637 -2.401 -18.148 1.00 0.00 H new ATOM 0 HG SER A 54 -0.180 -2.157 -16.868 1.00 0.00 H new ATOM 758 N SER A 55 -4.408 -1.825 -14.668 1.00 0.00 N ATOM 759 CA SER A 55 -5.836 -1.900 -14.363 1.00 0.00 C ATOM 760 C SER A 55 -6.667 -1.032 -15.313 1.00 0.00 C ATOM 761 O SER A 55 -7.766 -1.415 -15.712 1.00 0.00 O ATOM 762 CB SER A 55 -6.084 -1.482 -12.910 1.00 0.00 C ATOM 763 OG SER A 55 -5.655 -0.150 -12.678 1.00 0.00 O ATOM 0 H SER A 55 -3.840 -1.416 -13.926 1.00 0.00 H new ATOM 0 HA SER A 55 -6.152 -2.934 -14.502 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.146 -1.570 -12.680 1.00 0.00 H new ATOM 0 HB3 SER A 55 -5.555 -2.159 -12.239 1.00 0.00 H new ATOM 0 HG SER A 55 -5.827 0.091 -11.744 1.00 0.00 H new ATOM 769 N SER A 56 -6.138 0.138 -15.668 1.00 0.00 N ATOM 770 CA SER A 56 -6.830 1.049 -16.576 1.00 0.00 C ATOM 771 C SER A 56 -5.836 1.981 -17.264 1.00 0.00 C ATOM 772 O SER A 56 -4.822 2.360 -16.680 1.00 0.00 O ATOM 773 CB SER A 56 -7.883 1.865 -15.819 1.00 0.00 C ATOM 774 OG SER A 56 -8.566 2.758 -16.686 1.00 0.00 O ATOM 0 H SER A 56 -5.233 0.476 -15.341 1.00 0.00 H new ATOM 0 HA SER A 56 -7.332 0.453 -17.339 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.600 1.191 -15.350 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.403 2.428 -15.018 1.00 0.00 H new ATOM 0 HG SER A 56 -9.233 3.264 -16.176 1.00 0.00 H new ATOM 780 N TRP A 57 -6.133 2.343 -18.511 1.00 0.00 N ATOM 781 CA TRP A 57 -5.273 3.234 -19.288 1.00 0.00 C ATOM 782 C TRP A 57 -5.320 4.666 -18.750 1.00 0.00 C ATOM 783 O TRP A 57 -4.336 5.401 -18.832 1.00 0.00 O ATOM 784 CB TRP A 57 -5.684 3.223 -20.762 1.00 0.00 C ATOM 785 CG TRP A 57 -5.380 1.935 -21.471 1.00 0.00 C ATOM 786 CD1 TRP A 57 -4.615 0.899 -21.011 1.00 0.00 C ATOM 787 CD2 TRP A 57 -5.838 1.547 -22.773 1.00 0.00 C ATOM 788 NE1 TRP A 57 -4.571 -0.107 -21.947 1.00 0.00 N ATOM 789 CE2 TRP A 57 -5.313 0.267 -23.035 1.00 0.00 C ATOM 790 CE3 TRP A 57 -6.642 2.158 -23.739 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -5.567 -0.411 -24.226 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -6.893 1.482 -24.919 1.00 0.00 C ATOM 793 CH2 TRP A 57 -6.357 0.210 -25.154 1.00 0.00 C ATOM 0 H TRP A 57 -6.968 2.031 -19.007 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.251 2.867 -19.196 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -6.754 3.421 -20.832 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.175 4.038 -21.277 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -4.118 0.875 -20.052 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.068 -0.988 -21.847 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -7.059 3.139 -23.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -5.155 -1.392 -24.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -7.514 1.943 -25.673 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -6.572 -0.291 -26.087 1.00 0.00 H new ATOM 804 N LEU A 58 -6.466 5.053 -18.197 1.00 0.00 N ATOM 805 CA LEU A 58 -6.645 6.402 -17.663 1.00 0.00 C ATOM 806 C LEU A 58 -6.222 6.486 -16.197 1.00 0.00 C ATOM 807 O LEU A 58 -6.307 7.548 -15.578 1.00 0.00 O ATOM 808 CB LEU A 58 -8.105 6.842 -17.809 1.00 0.00 C ATOM 809 CG LEU A 58 -8.628 6.906 -19.248 1.00 0.00 C ATOM 810 CD1 LEU A 58 -10.105 7.266 -19.264 1.00 0.00 C ATOM 811 CD2 LEU A 58 -7.826 7.911 -20.064 1.00 0.00 C ATOM 0 H LEU A 58 -7.285 4.452 -18.106 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.006 7.072 -18.238 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.733 6.155 -17.242 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -8.218 7.826 -17.355 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.509 5.921 -19.700 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.458 7.307 -20.294 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.669 6.511 -18.716 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.248 8.239 -18.793 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.212 7.943 -21.083 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.913 8.899 -19.612 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.778 7.612 -20.082 1.00 0.00 H new ATOM 823 N ASP A 59 -5.762 5.362 -15.653 1.00 0.00 N ATOM 824 CA ASP A 59 -5.322 5.293 -14.258 1.00 0.00 C ATOM 825 C ASP A 59 -4.147 6.230 -13.991 1.00 0.00 C ATOM 826 O ASP A 59 -4.076 6.858 -12.935 1.00 0.00 O ATOM 827 CB ASP A 59 -4.930 3.856 -13.895 1.00 0.00 C ATOM 828 CG ASP A 59 -4.588 3.696 -12.427 1.00 0.00 C ATOM 829 OD1 ASP A 59 -5.496 3.862 -11.585 1.00 0.00 O ATOM 830 OD2 ASP A 59 -3.416 3.394 -12.120 1.00 0.00 O ATOM 0 H ASP A 59 -5.683 4.480 -16.159 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.158 5.611 -13.635 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.751 3.185 -14.148 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.074 3.554 -14.498 1.00 0.00 H new ATOM 835 N VAL A 60 -3.232 6.324 -14.956 1.00 0.00 N ATOM 836 CA VAL A 60 -2.042 7.167 -14.819 1.00 0.00 C ATOM 837 C VAL A 60 -2.383 8.648 -14.619 1.00 0.00 C ATOM 838 O VAL A 60 -1.604 9.385 -14.012 1.00 0.00 O ATOM 839 CB VAL A 60 -1.097 7.018 -16.030 1.00 0.00 C ATOM 840 CG1 VAL A 60 -0.516 5.612 -16.084 1.00 0.00 C ATOM 841 CG2 VAL A 60 -1.816 7.348 -17.334 1.00 0.00 C ATOM 0 H VAL A 60 -3.292 5.826 -15.844 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.535 6.814 -13.921 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.280 7.729 -15.907 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.148 5.525 -16.944 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.046 5.415 -15.171 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.325 4.887 -16.176 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.125 7.234 -18.169 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.660 6.670 -17.466 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.178 8.376 -17.300 1.00 0.00 H new ATOM 851 N ASP A 61 -3.534 9.081 -15.130 1.00 0.00 N ATOM 852 CA ASP A 61 -3.958 10.474 -14.982 1.00 0.00 C ATOM 853 C ASP A 61 -4.175 10.819 -13.509 1.00 0.00 C ATOM 854 O ASP A 61 -3.730 11.861 -13.028 1.00 0.00 O ATOM 855 CB ASP A 61 -5.245 10.732 -15.772 1.00 0.00 C ATOM 856 CG ASP A 61 -5.684 12.182 -15.710 1.00 0.00 C ATOM 857 OD1 ASP A 61 -4.961 13.045 -16.248 1.00 0.00 O ATOM 858 OD2 ASP A 61 -6.755 12.453 -15.124 1.00 0.00 O ATOM 0 H ASP A 61 -4.187 8.492 -15.647 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.167 11.111 -15.378 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.092 10.446 -16.813 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.041 10.098 -15.381 1.00 0.00 H new ATOM 863 N HIS A 62 -4.860 9.923 -12.802 1.00 0.00 N ATOM 864 CA HIS A 62 -5.145 10.106 -11.386 1.00 0.00 C ATOM 865 C HIS A 62 -3.910 9.827 -10.524 1.00 0.00 C ATOM 866 O HIS A 62 -3.823 10.305 -9.393 1.00 0.00 O ATOM 867 CB HIS A 62 -6.310 9.211 -10.960 1.00 0.00 C ATOM 868 CG HIS A 62 -7.115 9.767 -9.825 1.00 0.00 C ATOM 869 ND1 HIS A 62 -8.009 10.809 -9.955 1.00 0.00 N ATOM 870 CD2 HIS A 62 -7.148 9.409 -8.516 1.00 0.00 C ATOM 871 CE1 HIS A 62 -8.544 11.045 -8.750 1.00 0.00 C ATOM 872 NE2 HIS A 62 -8.056 10.222 -7.843 1.00 0.00 N ATOM 0 H HIS A 62 -5.230 9.057 -13.193 1.00 0.00 H new ATOM 0 HA HIS A 62 -5.426 11.148 -11.233 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -6.966 9.053 -11.816 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.920 8.235 -10.673 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.563 8.619 -8.068 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -9.279 11.810 -8.548 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -8.295 10.188 -6.852 1.00 0.00 H new ATOM 879 N ILE A 63 -2.951 9.065 -11.067 1.00 0.00 N ATOM 880 CA ILE A 63 -1.724 8.733 -10.338 1.00 0.00 C ATOM 881 C ILE A 63 -0.963 10.006 -9.954 1.00 0.00 C ATOM 882 O ILE A 63 -0.436 10.123 -8.845 1.00 0.00 O ATOM 883 CB ILE A 63 -0.796 7.786 -11.147 1.00 0.00 C ATOM 884 CG1 ILE A 63 -1.413 6.387 -11.243 1.00 0.00 C ATOM 885 CG2 ILE A 63 0.591 7.706 -10.522 1.00 0.00 C ATOM 886 CD1 ILE A 63 -0.676 5.455 -12.182 1.00 0.00 C ATOM 0 H ILE A 63 -3.003 8.669 -12.006 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.027 8.205 -9.433 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.692 8.198 -12.151 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.436 5.942 -10.248 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.447 6.479 -11.575 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.217 7.036 -11.111 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.040 8.699 -10.504 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.510 7.326 -9.504 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.173 4.485 -12.196 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.675 5.877 -13.187 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.351 5.331 -11.840 1.00 0.00 H new ATOM 898 N GLU A 64 -0.892 10.949 -10.877 1.00 0.00 N ATOM 899 CA GLU A 64 -0.222 12.217 -10.623 1.00 0.00 C ATOM 900 C GLU A 64 -0.976 13.034 -9.561 1.00 0.00 C ATOM 901 O GLU A 64 -0.372 13.748 -8.768 1.00 0.00 O ATOM 902 CB GLU A 64 -0.111 13.025 -11.919 1.00 0.00 C ATOM 903 CG GLU A 64 0.867 12.439 -12.930 1.00 0.00 C ATOM 904 CD GLU A 64 2.311 12.529 -12.476 1.00 0.00 C ATOM 905 OE1 GLU A 64 2.958 13.560 -12.758 1.00 0.00 O ATOM 906 OE2 GLU A 64 2.795 11.569 -11.842 1.00 0.00 O ATOM 0 H GLU A 64 -1.290 10.862 -11.812 1.00 0.00 H new ATOM 0 HA GLU A 64 0.778 12.002 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.097 13.093 -12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.198 14.042 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.613 11.395 -13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.757 12.962 -13.880 1.00 0.00 H new ATOM 913 N LYS A 65 -2.303 12.925 -9.582 1.00 0.00 N ATOM 914 CA LYS A 65 -3.175 13.677 -8.671 1.00 0.00 C ATOM 915 C LYS A 65 -2.991 13.353 -7.173 1.00 0.00 C ATOM 916 O LYS A 65 -2.850 14.269 -6.364 1.00 0.00 O ATOM 917 CB LYS A 65 -4.630 13.416 -9.070 1.00 0.00 C ATOM 918 CG LYS A 65 -5.012 14.020 -10.415 1.00 0.00 C ATOM 919 CD LYS A 65 -6.441 13.669 -10.797 1.00 0.00 C ATOM 920 CE LYS A 65 -6.829 14.279 -12.133 1.00 0.00 C ATOM 921 NZ LYS A 65 -8.215 13.908 -12.528 1.00 0.00 N ATOM 0 H LYS A 65 -2.806 12.316 -10.227 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.896 14.726 -8.776 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.801 12.340 -9.103 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.287 13.820 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.901 15.104 -10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.329 13.659 -11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.549 12.586 -10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.122 14.023 -10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.746 15.364 -12.075 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.131 13.946 -12.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.443 14.343 -13.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.288 12.874 -12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.884 14.248 -11.808 1.00 0.00 H new ATOM 935 N GLU A 66 -2.992 12.069 -6.791 1.00 0.00 N ATOM 936 CA GLU A 66 -2.858 11.717 -5.364 1.00 0.00 C ATOM 937 C GLU A 66 -1.410 11.534 -4.912 1.00 0.00 C ATOM 938 O GLU A 66 -1.175 11.258 -3.739 1.00 0.00 O ATOM 939 CB GLU A 66 -3.682 10.481 -4.971 1.00 0.00 C ATOM 940 CG GLU A 66 -5.032 10.387 -5.671 1.00 0.00 C ATOM 941 CD GLU A 66 -5.931 9.331 -5.059 1.00 0.00 C ATOM 942 OE1 GLU A 66 -6.683 9.662 -4.120 1.00 0.00 O ATOM 943 OE2 GLU A 66 -5.881 8.169 -5.518 1.00 0.00 O ATOM 0 H GLU A 66 -3.081 11.275 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.263 12.583 -4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.104 9.585 -5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.843 10.493 -3.893 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.530 11.355 -5.624 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.876 10.160 -6.726 1.00 0.00 H new ATOM 950 N VAL A 67 -0.442 11.643 -5.823 1.00 0.00 N ATOM 951 CA VAL A 67 0.967 11.471 -5.450 1.00 0.00 C ATOM 952 C VAL A 67 1.362 12.410 -4.296 1.00 0.00 C ATOM 953 O VAL A 67 2.191 12.060 -3.459 1.00 0.00 O ATOM 954 CB VAL A 67 1.919 11.671 -6.662 1.00 0.00 C ATOM 955 CG1 VAL A 67 2.076 13.142 -7.024 1.00 0.00 C ATOM 956 CG2 VAL A 67 3.275 11.036 -6.389 1.00 0.00 C ATOM 0 H VAL A 67 -0.601 11.846 -6.810 1.00 0.00 H new ATOM 0 HA VAL A 67 1.076 10.442 -5.108 1.00 0.00 H new ATOM 0 HB VAL A 67 1.466 11.172 -7.519 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.749 13.237 -7.876 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.103 13.559 -7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.489 13.684 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.927 11.187 -7.249 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.723 11.498 -5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.148 9.968 -6.213 1.00 0.00 H new ATOM 966 N ASP A 68 0.750 13.595 -4.250 1.00 0.00 N ATOM 967 CA ASP A 68 1.019 14.566 -3.188 1.00 0.00 C ATOM 968 C ASP A 68 0.088 14.345 -1.994 1.00 0.00 C ATOM 969 O ASP A 68 0.219 15.004 -0.962 1.00 0.00 O ATOM 970 CB ASP A 68 0.858 16.000 -3.704 1.00 0.00 C ATOM 971 CG ASP A 68 1.966 16.415 -4.655 1.00 0.00 C ATOM 972 OD1 ASP A 68 3.005 15.722 -4.697 1.00 0.00 O ATOM 973 OD2 ASP A 68 1.793 17.431 -5.357 1.00 0.00 O ATOM 0 H ASP A 68 0.063 13.906 -4.937 1.00 0.00 H new ATOM 0 HA ASP A 68 2.049 14.419 -2.864 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.102 16.092 -4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.838 16.685 -2.857 1.00 0.00 H new ATOM 978 N GLN A 69 -0.847 13.410 -2.145 1.00 0.00 N ATOM 979 CA GLN A 69 -1.832 13.109 -1.107 1.00 0.00 C ATOM 980 C GLN A 69 -1.541 11.782 -0.405 1.00 0.00 C ATOM 981 O GLN A 69 -2.441 11.175 0.177 1.00 0.00 O ATOM 982 CB GLN A 69 -3.242 13.072 -1.703 1.00 0.00 C ATOM 983 CG GLN A 69 -3.665 14.375 -2.366 1.00 0.00 C ATOM 984 CD GLN A 69 -3.629 15.555 -1.415 1.00 0.00 C ATOM 985 OE1 GLN A 69 -2.830 16.472 -1.581 1.00 0.00 O ATOM 986 NE2 GLN A 69 -4.499 15.539 -0.413 1.00 0.00 N ATOM 0 H GLN A 69 -0.944 12.841 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.766 13.905 -0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.295 12.268 -2.437 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.953 12.830 -0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.009 14.576 -3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -4.674 14.265 -2.763 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -5.146 14.757 -0.312 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.521 16.309 0.256 1.00 0.00 H new ATOM 995 N GLY A 70 -0.294 11.331 -0.456 1.00 0.00 N ATOM 996 CA GLY A 70 0.055 10.077 0.192 1.00 0.00 C ATOM 997 C GLY A 70 0.233 8.910 -0.767 1.00 0.00 C ATOM 998 O GLY A 70 0.137 7.760 -0.337 1.00 0.00 O ATOM 0 H GLY A 70 0.476 11.804 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.979 10.216 0.754 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.722 9.825 0.914 1.00 0.00 H new ATOM 1002 N LYS A 71 0.449 9.227 -2.061 1.00 0.00 N ATOM 1003 CA LYS A 71 0.696 8.237 -3.133 1.00 0.00 C ATOM 1004 C LYS A 71 -0.578 7.901 -3.900 1.00 0.00 C ATOM 1005 O LYS A 71 -1.670 7.842 -3.343 1.00 0.00 O ATOM 1006 CB LYS A 71 1.342 6.939 -2.604 1.00 0.00 C ATOM 1007 CG LYS A 71 1.430 5.797 -3.620 1.00 0.00 C ATOM 1008 CD LYS A 71 2.311 6.153 -4.813 1.00 0.00 C ATOM 1009 CE LYS A 71 3.740 6.403 -4.396 1.00 0.00 C ATOM 1010 NZ LYS A 71 4.202 7.767 -4.774 1.00 0.00 N ATOM 0 H LYS A 71 0.457 10.190 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 71 1.402 8.711 -3.815 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.347 7.169 -2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.773 6.594 -1.741 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.826 4.907 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.429 5.548 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.281 5.343 -5.542 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.915 7.041 -5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.830 6.276 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.388 5.659 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.237 7.819 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.924 7.968 -5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.768 8.469 -4.141 1.00 0.00 H new ATOM 1024 N SER A 72 -0.417 7.715 -5.202 1.00 0.00 N ATOM 1025 CA SER A 72 -1.518 7.349 -6.075 1.00 0.00 C ATOM 1026 C SER A 72 -1.130 6.169 -6.950 1.00 0.00 C ATOM 1027 O SER A 72 -1.983 5.420 -7.399 1.00 0.00 O ATOM 1028 CB SER A 72 -1.906 8.521 -6.950 1.00 0.00 C ATOM 1029 OG SER A 72 -3.253 8.411 -7.377 1.00 0.00 O ATOM 0 H SER A 72 0.479 7.814 -5.680 1.00 0.00 H new ATOM 0 HA SER A 72 -2.369 7.068 -5.454 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.770 9.452 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.248 8.565 -7.818 1.00 0.00 H new ATOM 0 HG SER A 72 -3.435 9.087 -8.063 1.00 0.00 H new ATOM 1035 N GLY A 73 0.162 6.016 -7.208 1.00 0.00 N ATOM 1036 CA GLY A 73 0.613 4.909 -8.024 1.00 0.00 C ATOM 1037 C GLY A 73 0.171 3.575 -7.460 1.00 0.00 C ATOM 1038 O GLY A 73 -0.617 2.862 -8.075 1.00 0.00 O ATOM 0 H GLY A 73 0.900 6.634 -6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.224 5.022 -9.036 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.700 4.930 -8.096 1.00 0.00 H new ATOM 1042 N THR A 74 0.670 3.239 -6.281 1.00 0.00 N ATOM 1043 CA THR A 74 0.303 1.994 -5.641 1.00 0.00 C ATOM 1044 C THR A 74 -0.952 2.150 -4.777 1.00 0.00 C ATOM 1045 O THR A 74 -1.804 1.260 -4.739 1.00 0.00 O ATOM 1046 CB THR A 74 1.455 1.450 -4.780 1.00 0.00 C ATOM 1047 OG1 THR A 74 2.663 1.449 -5.546 1.00 0.00 O ATOM 1048 CG2 THR A 74 1.156 0.035 -4.306 1.00 0.00 C ATOM 0 H THR A 74 1.328 3.812 -5.752 1.00 0.00 H new ATOM 0 HA THR A 74 0.089 1.282 -6.438 1.00 0.00 H new ATOM 0 HB THR A 74 1.568 2.092 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.124 2.306 -5.430 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.985 -0.328 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.243 0.036 -3.710 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.025 -0.618 -5.169 1.00 0.00 H new ATOM 1056 N ARG A 75 -1.063 3.294 -4.091 1.00 0.00 N ATOM 1057 CA ARG A 75 -2.187 3.546 -3.186 1.00 0.00 C ATOM 1058 C ARG A 75 -3.528 3.511 -3.912 1.00 0.00 C ATOM 1059 O ARG A 75 -4.459 2.857 -3.454 1.00 0.00 O ATOM 1060 CB ARG A 75 -2.029 4.897 -2.482 1.00 0.00 C ATOM 1061 CG ARG A 75 -3.062 5.123 -1.389 1.00 0.00 C ATOM 1062 CD ARG A 75 -2.850 6.445 -0.671 1.00 0.00 C ATOM 1063 NE ARG A 75 -3.829 6.649 0.396 1.00 0.00 N ATOM 1064 CZ ARG A 75 -5.047 7.148 0.200 1.00 0.00 C ATOM 1065 NH1 ARG A 75 -5.883 7.284 1.223 1.00 0.00 N ATOM 1066 NH2 ARG A 75 -5.429 7.515 -1.020 1.00 0.00 N ATOM 0 H ARG A 75 -0.389 4.057 -4.146 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.177 2.745 -2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.031 4.960 -2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.108 5.696 -3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.061 5.103 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.012 4.307 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.844 6.473 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.919 7.263 -1.388 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.562 6.394 1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.592 7.006 2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.816 7.667 1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.788 7.414 -1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.363 7.897 -1.169 1.00 0.00 H new ATOM 1080 N GLU A 76 -3.616 4.204 -5.046 1.00 0.00 N ATOM 1081 CA GLU A 76 -4.852 4.240 -5.822 1.00 0.00 C ATOM 1082 C GLU A 76 -5.213 2.851 -6.332 1.00 0.00 C ATOM 1083 O GLU A 76 -6.378 2.467 -6.335 1.00 0.00 O ATOM 1084 CB GLU A 76 -4.725 5.207 -7.000 1.00 0.00 C ATOM 1085 CG GLU A 76 -5.976 5.296 -7.858 1.00 0.00 C ATOM 1086 CD GLU A 76 -5.790 6.172 -9.076 1.00 0.00 C ATOM 1087 OE1 GLU A 76 -4.685 6.730 -9.248 1.00 0.00 O ATOM 1088 OE2 GLU A 76 -6.750 6.295 -9.865 1.00 0.00 O ATOM 0 H GLU A 76 -2.849 4.745 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.647 4.589 -5.164 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.486 6.200 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.888 4.895 -7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.264 4.294 -8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.796 5.687 -7.257 1.00 0.00 H new ATOM 1095 N LEU A 77 -4.199 2.111 -6.769 1.00 0.00 N ATOM 1096 CA LEU A 77 -4.399 0.764 -7.288 1.00 0.00 C ATOM 1097 C LEU A 77 -4.997 -0.145 -6.213 1.00 0.00 C ATOM 1098 O LEU A 77 -5.950 -0.883 -6.468 1.00 0.00 O ATOM 1099 CB LEU A 77 -3.063 0.193 -7.774 1.00 0.00 C ATOM 1100 CG LEU A 77 -3.135 -1.205 -8.386 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -3.990 -1.184 -9.643 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -1.739 -1.728 -8.688 1.00 0.00 C ATOM 0 H LEU A 77 -3.228 2.423 -6.774 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.096 0.812 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.643 0.874 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.370 0.168 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.599 -1.879 -7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.034 -2.186 -10.070 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.998 -0.852 -9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.553 -0.499 -10.369 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.810 -2.725 -9.123 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.244 -1.059 -9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.161 -1.776 -7.765 1.00 0.00 H new ATOM 1114 N LEU A 78 -4.430 -0.083 -5.011 1.00 0.00 N ATOM 1115 CA LEU A 78 -4.910 -0.887 -3.889 1.00 0.00 C ATOM 1116 C LEU A 78 -6.278 -0.382 -3.402 1.00 0.00 C ATOM 1117 O LEU A 78 -7.164 -1.168 -3.069 1.00 0.00 O ATOM 1118 CB LEU A 78 -3.878 -0.860 -2.745 1.00 0.00 C ATOM 1119 CG LEU A 78 -2.507 -1.449 -3.096 1.00 0.00 C ATOM 1120 CD1 LEU A 78 -1.555 -1.329 -1.916 1.00 0.00 C ATOM 1121 CD2 LEU A 78 -2.639 -2.902 -3.529 1.00 0.00 C ATOM 0 H LEU A 78 -3.636 0.517 -4.788 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.035 -1.917 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.742 0.172 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.285 -1.408 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.096 -0.880 -3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.587 -1.753 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.431 -0.278 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.963 -1.870 -1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.654 -3.300 -3.773 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.075 -3.485 -2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.283 -2.963 -4.406 1.00 0.00 H new ATOM 1133 N TRP A 79 -6.439 0.940 -3.398 1.00 0.00 N ATOM 1134 CA TRP A 79 -7.670 1.600 -2.947 1.00 0.00 C ATOM 1135 C TRP A 79 -8.810 1.497 -3.976 1.00 0.00 C ATOM 1136 O TRP A 79 -9.936 1.904 -3.694 1.00 0.00 O ATOM 1137 CB TRP A 79 -7.381 3.076 -2.645 1.00 0.00 C ATOM 1138 CG TRP A 79 -8.308 3.689 -1.636 1.00 0.00 C ATOM 1139 CD1 TRP A 79 -9.384 4.488 -1.895 1.00 0.00 C ATOM 1140 CD2 TRP A 79 -8.229 3.567 -0.212 1.00 0.00 C ATOM 1141 NE1 TRP A 79 -9.987 4.863 -0.716 1.00 0.00 N ATOM 1142 CE2 TRP A 79 -9.295 4.310 0.331 1.00 0.00 C ATOM 1143 CE3 TRP A 79 -7.363 2.899 0.660 1.00 0.00 C ATOM 1144 CZ2 TRP A 79 -9.517 4.404 1.703 1.00 0.00 C ATOM 1145 CZ3 TRP A 79 -7.584 2.993 2.021 1.00 0.00 C ATOM 1146 CH2 TRP A 79 -8.653 3.738 2.530 1.00 0.00 C ATOM 0 H TRP A 79 -5.717 1.590 -3.709 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.001 1.084 -2.046 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -6.357 3.168 -2.284 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -7.444 3.645 -3.573 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -9.714 4.783 -2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -10.813 5.455 -0.634 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -6.536 2.320 0.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -10.340 4.981 2.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -6.920 2.483 2.703 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -8.800 3.789 3.599 1.00 0.00 H new ATOM 1157 N SER A 80 -8.515 0.969 -5.162 1.00 0.00 N ATOM 1158 CA SER A 80 -9.516 0.861 -6.230 1.00 0.00 C ATOM 1159 C SER A 80 -10.738 0.038 -5.820 1.00 0.00 C ATOM 1160 O SER A 80 -11.863 0.385 -6.176 1.00 0.00 O ATOM 1161 CB SER A 80 -8.888 0.255 -7.489 1.00 0.00 C ATOM 1162 OG SER A 80 -7.931 1.131 -8.059 1.00 0.00 O ATOM 0 H SER A 80 -7.594 0.609 -5.411 1.00 0.00 H new ATOM 0 HA SER A 80 -9.861 1.874 -6.435 1.00 0.00 H new ATOM 0 HB2 SER A 80 -8.413 -0.694 -7.240 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.668 0.040 -8.220 1.00 0.00 H new ATOM 0 HG SER A 80 -7.271 1.382 -7.379 1.00 0.00 H new ATOM 1168 N TRP A 81 -10.529 -1.057 -5.095 1.00 0.00 N ATOM 1169 CA TRP A 81 -11.652 -1.888 -4.665 1.00 0.00 C ATOM 1170 C TRP A 81 -12.242 -1.367 -3.349 1.00 0.00 C ATOM 1171 O TRP A 81 -13.162 -0.551 -3.352 1.00 0.00 O ATOM 1172 CB TRP A 81 -11.205 -3.344 -4.515 1.00 0.00 C ATOM 1173 CG TRP A 81 -11.119 -4.076 -5.820 1.00 0.00 C ATOM 1174 CD1 TRP A 81 -9.984 -4.374 -6.518 1.00 0.00 C ATOM 1175 CD2 TRP A 81 -12.212 -4.601 -6.582 1.00 0.00 C ATOM 1176 NE1 TRP A 81 -10.305 -5.055 -7.669 1.00 0.00 N ATOM 1177 CE2 TRP A 81 -11.665 -5.206 -7.732 1.00 0.00 C ATOM 1178 CE3 TRP A 81 -13.598 -4.620 -6.405 1.00 0.00 C ATOM 1179 CZ2 TRP A 81 -12.458 -5.823 -8.695 1.00 0.00 C ATOM 1180 CZ3 TRP A 81 -14.383 -5.233 -7.364 1.00 0.00 C ATOM 1181 CH2 TRP A 81 -13.812 -5.827 -8.495 1.00 0.00 C ATOM 0 H TRP A 81 -9.611 -1.386 -4.797 1.00 0.00 H new ATOM 0 HA TRP A 81 -12.430 -1.838 -5.427 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -10.230 -3.369 -4.028 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -11.903 -3.865 -3.859 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -8.982 -4.113 -6.211 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -9.638 -5.393 -8.363 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -14.048 -4.164 -5.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.021 -6.282 -9.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -15.455 -5.254 -7.238 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -14.453 -6.298 -9.225 1.00 0.00 H new ATOM 1192 N ALA A 82 -11.717 -1.853 -2.229 1.00 0.00 N ATOM 1193 CA ALA A 82 -12.167 -1.407 -0.915 1.00 0.00 C ATOM 1194 C ALA A 82 -11.091 -0.530 -0.287 1.00 0.00 C ATOM 1195 O ALA A 82 -11.121 0.694 -0.401 1.00 0.00 O ATOM 1196 CB ALA A 82 -12.491 -2.600 -0.023 1.00 0.00 C ATOM 0 H ALA A 82 -10.979 -2.556 -2.205 1.00 0.00 H new ATOM 0 HA ALA A 82 -13.081 -0.823 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -12.825 -2.245 0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -13.281 -3.194 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.599 -3.215 0.100 1.00 0.00 H new ATOM 1202 N GLN A 83 -10.144 -1.173 0.384 1.00 0.00 N ATOM 1203 CA GLN A 83 -9.018 -0.477 0.985 1.00 0.00 C ATOM 1204 C GLN A 83 -7.754 -0.918 0.262 1.00 0.00 C ATOM 1205 O GLN A 83 -6.982 -0.097 -0.229 1.00 0.00 O ATOM 1206 CB GLN A 83 -8.926 -0.757 2.486 1.00 0.00 C ATOM 1207 CG GLN A 83 -10.124 -0.237 3.268 1.00 0.00 C ATOM 1208 CD GLN A 83 -9.967 -0.414 4.765 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -8.968 0.004 5.346 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -10.953 -1.035 5.398 1.00 0.00 N ATOM 0 H GLN A 83 -10.136 -2.183 0.525 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.150 0.600 0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.836 -1.832 2.644 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.018 -0.300 2.879 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -10.268 0.820 3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.023 -0.758 2.937 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.765 -1.366 4.877 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.900 -1.181 6.406 1.00 0.00 H new ATOM 1219 N LYS A 84 -7.541 -2.232 0.223 1.00 0.00 N ATOM 1220 CA LYS A 84 -6.418 -2.801 -0.511 1.00 0.00 C ATOM 1221 C LYS A 84 -6.909 -3.969 -1.367 1.00 0.00 C ATOM 1222 O LYS A 84 -6.551 -4.082 -2.541 1.00 0.00 O ATOM 1223 CB LYS A 84 -5.300 -3.252 0.447 1.00 0.00 C ATOM 1224 CG LYS A 84 -4.266 -4.158 -0.206 1.00 0.00 C ATOM 1225 CD LYS A 84 -3.001 -4.293 0.628 1.00 0.00 C ATOM 1226 CE LYS A 84 -3.277 -4.941 1.974 1.00 0.00 C ATOM 1227 NZ LYS A 84 -4.069 -6.194 1.835 1.00 0.00 N ATOM 0 H LYS A 84 -8.131 -2.920 0.691 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.997 -2.035 -1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.798 -2.371 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -5.747 -3.775 1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.700 -5.145 -0.364 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -4.009 -3.762 -1.188 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -2.268 -4.887 0.082 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.561 -3.308 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.332 -5.162 2.471 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.816 -4.240 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -3.696 -6.915 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.065 -6.002 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.000 -6.542 0.857 1.00 0.00 H new ATOM 1241 N ASN A 85 -7.755 -4.819 -0.761 1.00 0.00 N ATOM 1242 CA ASN A 85 -8.355 -5.989 -1.425 1.00 0.00 C ATOM 1243 C ASN A 85 -7.310 -6.812 -2.180 1.00 0.00 C ATOM 1244 O ASN A 85 -7.584 -7.369 -3.244 1.00 0.00 O ATOM 1245 CB ASN A 85 -9.476 -5.562 -2.378 1.00 0.00 C ATOM 1246 CG ASN A 85 -10.448 -6.694 -2.660 1.00 0.00 C ATOM 1247 OD1 ASN A 85 -10.805 -7.455 -1.761 1.00 0.00 O ATOM 1248 ND2 ASN A 85 -10.878 -6.814 -3.909 1.00 0.00 N ATOM 0 H ASN A 85 -8.044 -4.713 0.211 1.00 0.00 H new ATOM 0 HA ASN A 85 -8.778 -6.619 -0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.017 -4.720 -1.947 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -9.042 -5.216 -3.316 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.530 -7.559 -4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -10.557 -6.161 -4.624 1.00 0.00 H new ATOM 1255 N LYS A 86 -6.116 -6.888 -1.619 1.00 0.00 N ATOM 1256 CA LYS A 86 -5.020 -7.621 -2.232 1.00 0.00 C ATOM 1257 C LYS A 86 -4.251 -8.383 -1.171 1.00 0.00 C ATOM 1258 O LYS A 86 -4.481 -8.194 0.021 1.00 0.00 O ATOM 1259 CB LYS A 86 -4.078 -6.654 -2.962 1.00 0.00 C ATOM 1260 CG LYS A 86 -4.052 -6.830 -4.474 1.00 0.00 C ATOM 1261 CD LYS A 86 -5.263 -6.192 -5.137 1.00 0.00 C ATOM 1262 CE LYS A 86 -5.604 -6.877 -6.451 1.00 0.00 C ATOM 1263 NZ LYS A 86 -4.445 -6.898 -7.387 1.00 0.00 N ATOM 0 H LYS A 86 -5.879 -6.446 -0.731 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.431 -8.327 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.376 -5.631 -2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.068 -6.787 -2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.141 -6.386 -4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.023 -7.892 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.119 -6.247 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.066 -5.135 -5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.929 -7.899 -6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.441 -6.362 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.768 -7.185 -8.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.023 -5.949 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.734 -7.575 -7.044 1.00 0.00 H new ATOM 1277 N THR A 87 -3.339 -9.239 -1.595 1.00 0.00 N ATOM 1278 CA THR A 87 -2.538 -9.995 -0.654 1.00 0.00 C ATOM 1279 C THR A 87 -1.062 -9.703 -0.878 1.00 0.00 C ATOM 1280 O THR A 87 -0.664 -9.269 -1.965 1.00 0.00 O ATOM 1281 CB THR A 87 -2.785 -11.513 -0.756 1.00 0.00 C ATOM 1282 OG1 THR A 87 -2.406 -11.989 -2.055 1.00 0.00 O ATOM 1283 CG2 THR A 87 -4.250 -11.845 -0.500 1.00 0.00 C ATOM 0 H THR A 87 -3.137 -9.426 -2.577 1.00 0.00 H new ATOM 0 HA THR A 87 -2.836 -9.681 0.346 1.00 0.00 H new ATOM 0 HB THR A 87 -2.178 -12.005 0.004 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.565 -12.954 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.398 -12.922 -0.578 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.529 -11.512 0.499 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.872 -11.339 -1.238 1.00 0.00 H new ATOM 1291 N ILE A 88 -0.256 -9.942 0.149 1.00 0.00 N ATOM 1292 CA ILE A 88 1.179 -9.697 0.079 1.00 0.00 C ATOM 1293 C ILE A 88 1.826 -10.526 -1.032 1.00 0.00 C ATOM 1294 O ILE A 88 2.702 -10.037 -1.742 1.00 0.00 O ATOM 1295 CB ILE A 88 1.841 -9.965 1.460 1.00 0.00 C ATOM 1296 CG1 ILE A 88 1.911 -8.656 2.261 1.00 0.00 C ATOM 1297 CG2 ILE A 88 3.228 -10.581 1.320 1.00 0.00 C ATOM 1298 CD1 ILE A 88 0.569 -8.179 2.771 1.00 0.00 C ATOM 0 H ILE A 88 -0.575 -10.308 1.046 1.00 0.00 H new ATOM 0 HA ILE A 88 1.340 -8.648 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 88 1.224 -10.687 1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.583 -8.795 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.347 -7.879 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.652 -10.751 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.153 -11.530 0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.872 -9.903 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.700 -7.250 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.100 -8.006 1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.139 -8.936 3.427 1.00 0.00 H new ATOM 1310 N GLY A 89 1.375 -11.768 -1.192 1.00 0.00 N ATOM 1311 CA GLY A 89 1.911 -12.634 -2.233 1.00 0.00 C ATOM 1312 C GLY A 89 1.658 -12.096 -3.636 1.00 0.00 C ATOM 1313 O GLY A 89 2.521 -12.197 -4.509 1.00 0.00 O ATOM 0 H GLY A 89 0.646 -12.192 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.984 -12.754 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.464 -13.624 -2.142 1.00 0.00 H new ATOM 1317 N ASP A 90 0.466 -11.537 -3.849 1.00 0.00 N ATOM 1318 CA ASP A 90 0.088 -10.984 -5.155 1.00 0.00 C ATOM 1319 C ASP A 90 0.977 -9.805 -5.556 1.00 0.00 C ATOM 1320 O ASP A 90 1.443 -9.732 -6.692 1.00 0.00 O ATOM 1321 CB ASP A 90 -1.379 -10.540 -5.136 1.00 0.00 C ATOM 1322 CG ASP A 90 -1.860 -10.064 -6.493 1.00 0.00 C ATOM 1323 OD1 ASP A 90 -1.892 -10.887 -7.432 1.00 0.00 O ATOM 1324 OD2 ASP A 90 -2.212 -8.872 -6.614 1.00 0.00 O ATOM 0 H ASP A 90 -0.257 -11.454 -3.134 1.00 0.00 H new ATOM 0 HA ASP A 90 0.225 -11.773 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.002 -11.370 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.503 -9.738 -4.408 1.00 0.00 H new ATOM 1329 N LEU A 91 1.213 -8.890 -4.618 1.00 0.00 N ATOM 1330 CA LEU A 91 2.045 -7.715 -4.889 1.00 0.00 C ATOM 1331 C LEU A 91 3.530 -8.064 -4.852 1.00 0.00 C ATOM 1332 O LEU A 91 4.343 -7.386 -5.473 1.00 0.00 O ATOM 1333 CB LEU A 91 1.751 -6.589 -3.889 1.00 0.00 C ATOM 1334 CG LEU A 91 1.157 -5.302 -4.483 1.00 0.00 C ATOM 1335 CD1 LEU A 91 1.986 -4.814 -5.662 1.00 0.00 C ATOM 1336 CD2 LEU A 91 -0.288 -5.528 -4.909 1.00 0.00 C ATOM 0 H LEU A 91 0.843 -8.937 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 91 1.796 -7.369 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.062 -6.970 -3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.678 -6.335 -3.375 1.00 0.00 H new ATOM 0 HG LEU A 91 1.177 -4.533 -3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.545 -3.902 -6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.004 -4.609 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.004 -5.581 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.692 -4.606 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.327 -6.316 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.880 -5.824 -4.043 1.00 0.00 H new ATOM 1348 N LEU A 92 3.875 -9.136 -4.137 1.00 0.00 N ATOM 1349 CA LEU A 92 5.268 -9.572 -4.016 1.00 0.00 C ATOM 1350 C LEU A 92 5.857 -9.886 -5.389 1.00 0.00 C ATOM 1351 O LEU A 92 7.011 -9.557 -5.668 1.00 0.00 O ATOM 1352 CB LEU A 92 5.360 -10.805 -3.110 1.00 0.00 C ATOM 1353 CG LEU A 92 6.772 -11.351 -2.878 1.00 0.00 C ATOM 1354 CD1 LEU A 92 7.639 -10.312 -2.183 1.00 0.00 C ATOM 1355 CD2 LEU A 92 6.719 -12.633 -2.062 1.00 0.00 C ATOM 0 H LEU A 92 3.208 -9.719 -3.632 1.00 0.00 H new ATOM 0 HA LEU A 92 5.844 -8.760 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.922 -10.557 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.750 -11.598 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 92 7.217 -11.577 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.638 -10.718 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.703 -9.418 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.197 -10.055 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.731 -13.007 -1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.254 -12.431 -1.097 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.134 -13.381 -2.597 1.00 0.00 H new ATOM 1367 N GLN A 93 5.058 -10.526 -6.237 1.00 0.00 N ATOM 1368 CA GLN A 93 5.488 -10.875 -7.588 1.00 0.00 C ATOM 1369 C GLN A 93 5.802 -9.609 -8.389 1.00 0.00 C ATOM 1370 O GLN A 93 6.784 -9.556 -9.130 1.00 0.00 O ATOM 1371 CB GLN A 93 4.391 -11.681 -8.281 1.00 0.00 C ATOM 1372 CG GLN A 93 4.188 -13.066 -7.688 1.00 0.00 C ATOM 1373 CD GLN A 93 2.966 -13.764 -8.245 1.00 0.00 C ATOM 1374 OE1 GLN A 93 3.004 -14.337 -9.332 1.00 0.00 O ATOM 1375 NE2 GLN A 93 1.868 -13.711 -7.502 1.00 0.00 N ATOM 0 H GLN A 93 4.106 -10.815 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 93 6.394 -11.479 -7.530 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.453 -11.128 -8.222 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.637 -11.780 -9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 93 5.071 -13.674 -7.885 1.00 0.00 H new ATOM 0 HG3 GLN A 93 4.093 -12.983 -6.605 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.882 -13.224 -6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 93 1.010 -14.157 -7.827 1.00 0.00 H new ATOM 1384 N VAL A 94 4.953 -8.596 -8.229 1.00 0.00 N ATOM 1385 CA VAL A 94 5.131 -7.316 -8.909 1.00 0.00 C ATOM 1386 C VAL A 94 6.347 -6.580 -8.332 1.00 0.00 C ATOM 1387 O VAL A 94 7.135 -5.981 -9.069 1.00 0.00 O ATOM 1388 CB VAL A 94 3.866 -6.436 -8.777 1.00 0.00 C ATOM 1389 CG1 VAL A 94 4.078 -5.070 -9.413 1.00 0.00 C ATOM 1390 CG2 VAL A 94 2.662 -7.136 -9.393 1.00 0.00 C ATOM 0 H VAL A 94 4.129 -8.639 -7.629 1.00 0.00 H new ATOM 0 HA VAL A 94 5.299 -7.513 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 94 3.671 -6.283 -7.716 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.172 -4.474 -9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.907 -4.563 -8.919 1.00 0.00 H new ATOM 0 HG13 VAL A 94 4.307 -5.193 -10.472 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.781 -6.502 -9.291 1.00 0.00 H new ATOM 0 HG22 VAL A 94 2.852 -7.325 -10.449 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.490 -8.082 -8.880 1.00 0.00 H new ATOM 1400 N LEU A 95 6.483 -6.641 -7.005 1.00 0.00 N ATOM 1401 CA LEU A 95 7.596 -6.004 -6.293 1.00 0.00 C ATOM 1402 C LEU A 95 8.934 -6.562 -6.768 1.00 0.00 C ATOM 1403 O LEU A 95 9.903 -5.818 -6.935 1.00 0.00 O ATOM 1404 CB LEU A 95 7.464 -6.240 -4.780 1.00 0.00 C ATOM 1405 CG LEU A 95 6.781 -5.129 -3.968 1.00 0.00 C ATOM 1406 CD1 LEU A 95 5.532 -4.623 -4.666 1.00 0.00 C ATOM 1407 CD2 LEU A 95 6.435 -5.637 -2.578 1.00 0.00 C ATOM 0 H LEU A 95 5.828 -7.131 -6.395 1.00 0.00 H new ATOM 0 HA LEU A 95 7.560 -4.935 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.908 -7.165 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.462 -6.396 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 95 7.479 -4.296 -3.883 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.072 -3.838 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.799 -4.223 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.826 -5.445 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.951 -4.842 -2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.759 -6.488 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.346 -5.946 -2.066 1.00 0.00 H new ATOM 1419 N GLN A 96 8.978 -7.878 -6.970 1.00 0.00 N ATOM 1420 CA GLN A 96 10.187 -8.551 -7.431 1.00 0.00 C ATOM 1421 C GLN A 96 10.582 -8.075 -8.829 1.00 0.00 C ATOM 1422 O GLN A 96 11.765 -7.886 -9.114 1.00 0.00 O ATOM 1423 CB GLN A 96 9.977 -10.072 -7.432 1.00 0.00 C ATOM 1424 CG GLN A 96 11.241 -10.868 -7.723 1.00 0.00 C ATOM 1425 CD GLN A 96 12.320 -10.659 -6.679 1.00 0.00 C ATOM 1426 OE1 GLN A 96 12.101 -10.883 -5.489 1.00 0.00 O ATOM 1427 NE2 GLN A 96 13.493 -10.221 -7.117 1.00 0.00 N ATOM 0 H GLN A 96 8.184 -8.501 -6.820 1.00 0.00 H new ATOM 0 HA GLN A 96 10.997 -8.302 -6.745 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.583 -10.375 -6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.221 -10.324 -8.176 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.993 -11.928 -7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.628 -10.582 -8.701 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.633 -10.048 -8.112 1.00 0.00 H new ATOM 0 HE22 GLN A 96 14.255 -10.058 -6.458 1.00 0.00 H new ATOM 1436 N GLU A 97 9.585 -7.894 -9.700 1.00 0.00 N ATOM 1437 CA GLU A 97 9.832 -7.436 -11.066 1.00 0.00 C ATOM 1438 C GLU A 97 10.450 -6.036 -11.067 1.00 0.00 C ATOM 1439 O GLU A 97 11.414 -5.774 -11.787 1.00 0.00 O ATOM 1440 CB GLU A 97 8.524 -7.432 -11.870 1.00 0.00 C ATOM 1441 CG GLU A 97 8.684 -6.991 -13.322 1.00 0.00 C ATOM 1442 CD GLU A 97 9.533 -7.944 -14.143 1.00 0.00 C ATOM 1443 OE1 GLU A 97 9.690 -9.113 -13.729 1.00 0.00 O ATOM 1444 OE2 GLU A 97 10.039 -7.522 -15.204 1.00 0.00 O ATOM 0 H GLU A 97 8.602 -8.058 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 97 10.536 -8.125 -11.534 1.00 0.00 H new ATOM 0 HB2 GLU A 97 8.096 -8.434 -11.851 1.00 0.00 H new ATOM 0 HB3 GLU A 97 7.810 -6.771 -11.378 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.699 -6.905 -13.780 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.135 -5.999 -13.347 1.00 0.00 H new ATOM 1451 N MET A 98 9.876 -5.140 -10.266 1.00 0.00 N ATOM 1452 CA MET A 98 10.373 -3.770 -10.163 1.00 0.00 C ATOM 1453 C MET A 98 11.722 -3.709 -9.451 1.00 0.00 C ATOM 1454 O MET A 98 12.586 -2.909 -9.813 1.00 0.00 O ATOM 1455 CB MET A 98 9.357 -2.877 -9.447 1.00 0.00 C ATOM 1456 CG MET A 98 8.101 -2.609 -10.261 1.00 0.00 C ATOM 1457 SD MET A 98 8.463 -1.914 -11.886 1.00 0.00 S ATOM 1458 CE MET A 98 9.268 -0.380 -11.434 1.00 0.00 C ATOM 0 H MET A 98 9.066 -5.339 -9.679 1.00 0.00 H new ATOM 0 HA MET A 98 10.515 -3.400 -11.179 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.075 -3.345 -8.504 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.831 -1.926 -9.202 1.00 0.00 H new ATOM 0 HG2 MET A 98 7.546 -3.539 -10.383 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.456 -1.923 -9.712 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.938 0.415 -12.103 1.00 0.00 H new ATOM 0 HE2 MET A 98 9.008 -0.122 -10.407 1.00 0.00 H new ATOM 0 HE3 MET A 98 10.348 -0.498 -11.516 1.00 0.00 H new ATOM 1468 N GLY A 99 11.898 -4.550 -8.436 1.00 0.00 N ATOM 1469 CA GLY A 99 13.143 -4.561 -7.692 1.00 0.00 C ATOM 1470 C GLY A 99 13.090 -3.671 -6.463 1.00 0.00 C ATOM 1471 O GLY A 99 14.067 -3.001 -6.131 1.00 0.00 O ATOM 0 H GLY A 99 11.201 -5.223 -8.117 1.00 0.00 H new ATOM 0 HA2 GLY A 99 13.373 -5.582 -7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.954 -4.232 -8.341 1.00 0.00 H new ATOM 1475 N HIS A 100 11.943 -3.666 -5.790 1.00 0.00 N ATOM 1476 CA HIS A 100 11.761 -2.843 -4.593 1.00 0.00 C ATOM 1477 C HIS A 100 12.392 -3.517 -3.375 1.00 0.00 C ATOM 1478 O HIS A 100 11.747 -4.306 -2.683 1.00 0.00 O ATOM 1479 CB HIS A 100 10.274 -2.591 -4.339 1.00 0.00 C ATOM 1480 CG HIS A 100 9.632 -1.675 -5.335 1.00 0.00 C ATOM 1481 ND1 HIS A 100 8.332 -1.232 -5.243 1.00 0.00 N ATOM 1482 CD2 HIS A 100 10.137 -1.117 -6.466 1.00 0.00 C ATOM 1483 CE1 HIS A 100 8.093 -0.439 -6.296 1.00 0.00 C ATOM 1484 NE2 HIS A 100 9.155 -0.338 -7.067 1.00 0.00 N ATOM 0 H HIS A 100 11.127 -4.220 -6.050 1.00 0.00 H new ATOM 0 HA HIS A 100 12.257 -1.887 -4.759 1.00 0.00 H new ATOM 0 HB2 HIS A 100 9.748 -3.546 -4.347 1.00 0.00 H new ATOM 0 HB3 HIS A 100 10.153 -2.169 -3.342 1.00 0.00 H new ATOM 0 HD2 HIS A 100 11.141 -1.256 -6.839 1.00 0.00 H new ATOM 0 HE1 HIS A 100 7.151 0.054 -6.487 1.00 0.00 H new ATOM 0 HE2 HIS A 100 9.240 0.201 -7.929 1.00 0.00 H new ATOM 1491 N ARG A 101 13.656 -3.186 -3.120 1.00 0.00 N ATOM 1492 CA ARG A 101 14.408 -3.758 -2.006 1.00 0.00 C ATOM 1493 C ARG A 101 13.810 -3.411 -0.640 1.00 0.00 C ATOM 1494 O ARG A 101 13.734 -4.268 0.242 1.00 0.00 O ATOM 1495 CB ARG A 101 15.853 -3.266 -2.064 1.00 0.00 C ATOM 1496 CG ARG A 101 16.646 -3.837 -3.229 1.00 0.00 C ATOM 1497 CD ARG A 101 18.031 -3.216 -3.322 1.00 0.00 C ATOM 1498 NE ARG A 101 18.850 -3.523 -2.149 1.00 0.00 N ATOM 1499 CZ ARG A 101 20.047 -2.989 -1.925 1.00 0.00 C ATOM 1500 NH1 ARG A 101 20.726 -3.318 -0.834 1.00 0.00 N ATOM 1501 NH2 ARG A 101 20.564 -2.127 -2.790 1.00 0.00 N ATOM 0 H ARG A 101 14.186 -2.516 -3.678 1.00 0.00 H new ATOM 0 HA ARG A 101 14.361 -4.842 -2.112 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.855 -2.178 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.354 -3.527 -1.132 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.738 -4.917 -3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.105 -3.662 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 101 18.532 -3.580 -4.219 1.00 0.00 H new ATOM 0 HD3 ARG A 101 17.937 -2.135 -3.426 1.00 0.00 H new ATOM 0 HE ARG A 101 18.482 -4.184 -1.465 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.330 -3.980 -0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.644 -2.909 -0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.043 -1.872 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.482 -1.719 -2.616 1.00 0.00 H new ATOM 1515 N ARG A 102 13.386 -2.159 -0.465 1.00 0.00 N ATOM 1516 CA ARG A 102 12.805 -1.723 0.806 1.00 0.00 C ATOM 1517 C ARG A 102 11.493 -2.456 1.078 1.00 0.00 C ATOM 1518 O ARG A 102 11.196 -2.826 2.216 1.00 0.00 O ATOM 1519 CB ARG A 102 12.554 -0.215 0.814 1.00 0.00 C ATOM 1520 CG ARG A 102 12.226 0.327 2.197 1.00 0.00 C ATOM 1521 CD ARG A 102 13.461 0.371 3.085 1.00 0.00 C ATOM 1522 NE ARG A 102 13.155 0.848 4.433 1.00 0.00 N ATOM 1523 CZ ARG A 102 12.710 0.064 5.412 1.00 0.00 C ATOM 1524 NH1 ARG A 102 12.464 0.573 6.614 1.00 0.00 N ATOM 1525 NH2 ARG A 102 12.514 -1.228 5.191 1.00 0.00 N ATOM 0 H ARG A 102 13.433 -1.434 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 102 13.523 -1.962 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 102 13.436 0.296 0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 102 11.732 0.014 0.136 1.00 0.00 H new ATOM 0 HG2 ARG A 102 11.806 1.329 2.106 1.00 0.00 H new ATOM 0 HG3 ARG A 102 11.464 -0.298 2.663 1.00 0.00 H new ATOM 0 HD2 ARG A 102 13.899 -0.625 3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 102 14.209 1.022 2.632 1.00 0.00 H new ATOM 0 HE ARG A 102 13.290 1.839 4.635 1.00 0.00 H new ATOM 0 HH11 ARG A 102 12.616 1.566 6.788 1.00 0.00 H new ATOM 0 HH12 ARG A 102 12.123 -0.030 7.363 1.00 0.00 H new ATOM 0 HH21 ARG A 102 12.704 -1.622 4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.173 -1.828 5.942 1.00 0.00 H new ATOM 1539 N ALA A 103 10.710 -2.645 0.018 1.00 0.00 N ATOM 1540 CA ALA A 103 9.424 -3.331 0.116 1.00 0.00 C ATOM 1541 C ALA A 103 9.612 -4.762 0.602 1.00 0.00 C ATOM 1542 O ALA A 103 8.815 -5.270 1.387 1.00 0.00 O ATOM 1543 CB ALA A 103 8.714 -3.314 -1.226 1.00 0.00 C ATOM 0 H ALA A 103 10.946 -2.331 -0.923 1.00 0.00 H new ATOM 0 HA ALA A 103 8.807 -2.803 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.757 -3.829 -1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 103 8.544 -2.283 -1.535 1.00 0.00 H new ATOM 0 HB3 ALA A 103 9.330 -3.819 -1.970 1.00 0.00 H new ATOM 1549 N ILE A 104 10.675 -5.407 0.122 1.00 0.00 N ATOM 1550 CA ILE A 104 11.000 -6.776 0.515 1.00 0.00 C ATOM 1551 C ILE A 104 11.295 -6.830 2.015 1.00 0.00 C ATOM 1552 O ILE A 104 10.910 -7.774 2.709 1.00 0.00 O ATOM 1553 CB ILE A 104 12.218 -7.313 -0.277 1.00 0.00 C ATOM 1554 CG1 ILE A 104 11.902 -7.372 -1.777 1.00 0.00 C ATOM 1555 CG2 ILE A 104 12.636 -8.691 0.230 1.00 0.00 C ATOM 1556 CD1 ILE A 104 10.734 -8.274 -2.123 1.00 0.00 C ATOM 0 H ILE A 104 11.330 -4.998 -0.545 1.00 0.00 H new ATOM 0 HA ILE A 104 10.140 -7.407 0.288 1.00 0.00 H new ATOM 0 HB ILE A 104 13.049 -6.625 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.688 -6.364 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.787 -7.718 -2.311 1.00 0.00 H new ATOM 0 HG21 ILE A 104 13.493 -9.045 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 104 12.907 -8.624 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 104 11.807 -9.389 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 104 10.573 -8.263 -3.201 1.00 0.00 H new ATOM 0 HD12 ILE A 104 10.952 -9.292 -1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 104 9.836 -7.917 -1.618 1.00 0.00 H new ATOM 1568 N HIS A 105 11.989 -5.808 2.502 1.00 0.00 N ATOM 1569 CA HIS A 105 12.347 -5.705 3.913 1.00 0.00 C ATOM 1570 C HIS A 105 11.097 -5.670 4.802 1.00 0.00 C ATOM 1571 O HIS A 105 10.997 -6.409 5.784 1.00 0.00 O ATOM 1572 CB HIS A 105 13.164 -4.425 4.128 1.00 0.00 C ATOM 1573 CG HIS A 105 13.794 -4.302 5.482 1.00 0.00 C ATOM 1574 ND1 HIS A 105 13.106 -3.961 6.627 1.00 0.00 N ATOM 1575 CD2 HIS A 105 15.087 -4.453 5.852 1.00 0.00 C ATOM 1576 CE1 HIS A 105 13.987 -3.918 7.636 1.00 0.00 C ATOM 1577 NE2 HIS A 105 15.204 -4.210 7.218 1.00 0.00 N ATOM 0 H HIS A 105 12.319 -5.029 1.932 1.00 0.00 H new ATOM 0 HA HIS A 105 12.934 -6.581 4.188 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.948 -4.380 3.372 1.00 0.00 H new ATOM 0 HB3 HIS A 105 12.515 -3.565 3.965 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.899 -4.720 5.192 1.00 0.00 H new ATOM 0 HE1 HIS A 105 13.734 -3.676 8.658 1.00 0.00 H new ATOM 0 HE2 HIS A 105 16.055 -4.250 7.779 1.00 0.00 H new ATOM 1584 N LEU A 106 10.135 -4.824 4.434 1.00 0.00 N ATOM 1585 CA LEU A 106 8.899 -4.673 5.207 1.00 0.00 C ATOM 1586 C LEU A 106 7.870 -5.772 4.918 1.00 0.00 C ATOM 1587 O LEU A 106 6.986 -6.017 5.738 1.00 0.00 O ATOM 1588 CB LEU A 106 8.282 -3.299 4.950 1.00 0.00 C ATOM 1589 CG LEU A 106 8.123 -2.403 6.186 1.00 0.00 C ATOM 1590 CD1 LEU A 106 7.305 -3.102 7.262 1.00 0.00 C ATOM 1591 CD2 LEU A 106 9.483 -1.996 6.732 1.00 0.00 C ATOM 0 H LEU A 106 10.186 -4.232 3.605 1.00 0.00 H new ATOM 0 HA LEU A 106 9.174 -4.767 6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.898 -2.774 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.301 -3.440 4.497 1.00 0.00 H new ATOM 0 HG LEU A 106 7.589 -1.503 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.207 -2.447 8.127 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.315 -3.338 6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.806 -4.023 7.559 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.348 -1.361 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.044 -2.887 7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.033 -1.447 5.967 1.00 0.00 H new ATOM 1603 N ILE A 107 7.974 -6.424 3.761 1.00 0.00 N ATOM 1604 CA ILE A 107 7.029 -7.485 3.390 1.00 0.00 C ATOM 1605 C ILE A 107 7.064 -8.644 4.396 1.00 0.00 C ATOM 1606 O ILE A 107 6.110 -9.418 4.503 1.00 0.00 O ATOM 1607 CB ILE A 107 7.288 -8.011 1.948 1.00 0.00 C ATOM 1608 CG1 ILE A 107 5.986 -8.496 1.314 1.00 0.00 C ATOM 1609 CG2 ILE A 107 8.325 -9.127 1.930 1.00 0.00 C ATOM 1610 CD1 ILE A 107 5.124 -7.375 0.776 1.00 0.00 C ATOM 0 H ILE A 107 8.697 -6.240 3.066 1.00 0.00 H new ATOM 0 HA ILE A 107 6.033 -7.042 3.412 1.00 0.00 H new ATOM 0 HB ILE A 107 7.683 -7.179 1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 107 6.221 -9.185 0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 107 5.417 -9.058 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.477 -9.466 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.267 -8.755 2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.974 -9.960 2.540 1.00 0.00 H new ATOM 0 HD11 ILE A 107 4.216 -7.791 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 107 4.859 -6.698 1.588 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.675 -6.827 0.012 1.00 0.00 H new ATOM 1622 N THR A 108 8.163 -8.740 5.146 1.00 0.00 N ATOM 1623 CA THR A 108 8.336 -9.788 6.146 1.00 0.00 C ATOM 1624 C THR A 108 7.436 -9.558 7.367 1.00 0.00 C ATOM 1625 O THR A 108 7.273 -10.448 8.201 1.00 0.00 O ATOM 1626 CB THR A 108 9.802 -9.875 6.617 1.00 0.00 C ATOM 1627 OG1 THR A 108 10.201 -8.637 7.223 1.00 0.00 O ATOM 1628 CG2 THR A 108 10.728 -10.197 5.454 1.00 0.00 C ATOM 0 H THR A 108 8.952 -8.097 5.076 1.00 0.00 H new ATOM 0 HA THR A 108 8.053 -10.725 5.666 1.00 0.00 H new ATOM 0 HB THR A 108 9.874 -10.677 7.351 1.00 0.00 H new ATOM 0 HG1 THR A 108 10.441 -7.993 6.524 1.00 0.00 H new ATOM 0 HG21 THR A 108 11.756 -10.253 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 108 10.444 -11.154 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 108 10.649 -9.415 4.699 1.00 0.00 H new ATOM 1636 N ASN A 109 6.850 -8.361 7.457 1.00 0.00 N ATOM 1637 CA ASN A 109 5.966 -8.011 8.573 1.00 0.00 C ATOM 1638 C ASN A 109 4.656 -8.799 8.509 1.00 0.00 C ATOM 1639 O ASN A 109 4.021 -9.043 9.535 1.00 0.00 O ATOM 1640 CB ASN A 109 5.686 -6.503 8.561 1.00 0.00 C ATOM 1641 CG ASN A 109 4.834 -6.045 9.733 1.00 0.00 C ATOM 1642 OD1 ASN A 109 3.641 -5.787 9.585 1.00 0.00 O ATOM 1643 ND2 ASN A 109 5.447 -5.938 10.905 1.00 0.00 N ATOM 0 H ASN A 109 6.972 -7.617 6.770 1.00 0.00 H new ATOM 0 HA ASN A 109 6.467 -8.275 9.505 1.00 0.00 H new ATOM 0 HB2 ASN A 109 6.633 -5.964 8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 109 5.184 -6.240 7.630 1.00 0.00 H new ATOM 0 HD21 ASN A 109 4.926 -5.632 11.727 1.00 0.00 H new ATOM 0 HD22 ASN A 109 6.439 -6.162 10.984 1.00 0.00 H new ATOM 1650 N TYR A 110 4.262 -9.191 7.297 1.00 0.00 N ATOM 1651 CA TYR A 110 3.034 -9.960 7.085 1.00 0.00 C ATOM 1652 C TYR A 110 3.088 -11.294 7.837 1.00 0.00 C ATOM 1653 O TYR A 110 2.139 -11.668 8.526 1.00 0.00 O ATOM 1654 CB TYR A 110 2.816 -10.188 5.582 1.00 0.00 C ATOM 1655 CG TYR A 110 1.624 -11.057 5.239 1.00 0.00 C ATOM 1656 CD1 TYR A 110 0.322 -10.595 5.401 1.00 0.00 C ATOM 1657 CD2 TYR A 110 1.803 -12.339 4.733 1.00 0.00 C ATOM 1658 CE1 TYR A 110 -0.762 -11.386 5.073 1.00 0.00 C ATOM 1659 CE2 TYR A 110 0.724 -13.136 4.405 1.00 0.00 C ATOM 1660 CZ TYR A 110 -0.555 -12.654 4.576 1.00 0.00 C ATOM 1661 OH TYR A 110 -1.634 -13.442 4.245 1.00 0.00 O ATOM 0 H TYR A 110 4.779 -8.987 6.442 1.00 0.00 H new ATOM 0 HA TYR A 110 2.192 -9.392 7.480 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.694 -9.220 5.096 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.713 -10.644 5.164 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.156 -9.601 5.790 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.804 -12.719 4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.767 -11.012 5.206 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.882 -14.131 4.017 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.333 -14.195 3.695 1.00 0.00 H new ATOM 1671 N GLY A 111 4.203 -12.005 7.695 1.00 0.00 N ATOM 1672 CA GLY A 111 4.364 -13.279 8.372 1.00 0.00 C ATOM 1673 C GLY A 111 4.159 -14.468 7.451 1.00 0.00 C ATOM 1674 O GLY A 111 3.474 -14.369 6.436 1.00 0.00 O ATOM 0 H GLY A 111 4.998 -11.721 7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.362 -13.330 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 111 3.654 -13.338 9.197 1.00 0.00 H new ATOM 1678 N ALA A 112 4.765 -15.598 7.808 1.00 0.00 N ATOM 1679 CA ALA A 112 4.648 -16.813 7.009 1.00 0.00 C ATOM 1680 C ALA A 112 3.824 -17.880 7.729 1.00 0.00 C ATOM 1681 O ALA A 112 3.724 -19.015 7.265 1.00 0.00 O ATOM 1682 CB ALA A 112 6.031 -17.355 6.672 1.00 0.00 C ATOM 0 H ALA A 112 5.341 -15.697 8.644 1.00 0.00 H new ATOM 0 HA ALA A 112 4.128 -16.557 6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.931 -18.262 6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.587 -16.608 6.106 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.566 -17.584 7.593 1.00 0.00 H new ATOM 1688 N VAL A 113 3.235 -17.509 8.861 1.00 0.00 N ATOM 1689 CA VAL A 113 2.433 -18.444 9.642 1.00 0.00 C ATOM 1690 C VAL A 113 1.164 -17.765 10.168 1.00 0.00 C ATOM 1691 O VAL A 113 1.187 -16.583 10.515 1.00 0.00 O ATOM 1692 CB VAL A 113 3.258 -19.035 10.814 1.00 0.00 C ATOM 1693 CG1 VAL A 113 3.665 -17.952 11.806 1.00 0.00 C ATOM 1694 CG2 VAL A 113 2.495 -20.151 11.515 1.00 0.00 C ATOM 0 H VAL A 113 3.297 -16.571 9.257 1.00 0.00 H new ATOM 0 HA VAL A 113 2.137 -19.262 8.986 1.00 0.00 H new ATOM 0 HB VAL A 113 4.168 -19.461 10.392 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.242 -18.399 12.616 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.272 -17.203 11.298 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.772 -17.479 12.215 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.098 -20.546 12.332 1.00 0.00 H new ATOM 0 HG22 VAL A 113 1.559 -19.758 11.912 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.281 -20.948 10.803 1.00 0.00 H new ATOM 1704 N LEU A 114 0.059 -18.523 10.192 1.00 0.00 N ATOM 1705 CA LEU A 114 -1.241 -18.028 10.672 1.00 0.00 C ATOM 1706 C LEU A 114 -1.753 -16.866 9.820 1.00 0.00 C ATOM 1707 O LEU A 114 -2.479 -15.998 10.306 1.00 0.00 O ATOM 1708 CB LEU A 114 -1.156 -17.601 12.143 1.00 0.00 C ATOM 1709 CG LEU A 114 -1.724 -18.602 13.154 1.00 0.00 C ATOM 1710 CD1 LEU A 114 -0.866 -19.857 13.218 1.00 0.00 C ATOM 1711 CD2 LEU A 114 -1.833 -17.961 14.529 1.00 0.00 C ATOM 0 H LEU A 114 0.040 -19.494 9.880 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.950 -18.851 10.583 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.111 -17.416 12.390 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.684 -16.654 12.260 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.722 -18.891 12.823 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.291 -20.551 13.943 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.838 -20.329 12.236 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.147 -19.590 13.521 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.238 -18.684 15.237 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.845 -17.642 14.861 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.494 -17.096 14.476 1.00 0.00 H new ATOM 1723 N SER A 115 -1.374 -16.858 8.547 1.00 0.00 N ATOM 1724 CA SER A 115 -1.795 -15.808 7.628 1.00 0.00 C ATOM 1725 C SER A 115 -3.204 -16.075 7.091 1.00 0.00 C ATOM 1726 O SER A 115 -3.617 -17.230 6.970 1.00 0.00 O ATOM 1727 CB SER A 115 -0.797 -15.710 6.474 1.00 0.00 C ATOM 1728 OG SER A 115 -0.715 -16.938 5.767 1.00 0.00 O ATOM 0 H SER A 115 -0.775 -17.569 8.128 1.00 0.00 H new ATOM 0 HA SER A 115 -1.820 -14.862 8.169 1.00 0.00 H new ATOM 0 HB2 SER A 115 -1.099 -14.914 5.794 1.00 0.00 H new ATOM 0 HB3 SER A 115 0.186 -15.442 6.861 1.00 0.00 H new ATOM 0 HG SER A 115 -0.072 -16.850 5.033 1.00 0.00 H new ATOM 1734 N PRO A 116 -3.956 -15.011 6.745 1.00 0.00 N ATOM 1735 CA PRO A 116 -5.315 -15.140 6.207 1.00 0.00 C ATOM 1736 C PRO A 116 -5.327 -15.515 4.721 1.00 0.00 C ATOM 1737 O PRO A 116 -5.821 -14.762 3.881 1.00 0.00 O ATOM 1738 CB PRO A 116 -5.898 -13.741 6.407 1.00 0.00 C ATOM 1739 CG PRO A 116 -4.722 -12.830 6.323 1.00 0.00 C ATOM 1740 CD PRO A 116 -3.553 -13.595 6.887 1.00 0.00 C ATOM 0 HA PRO A 116 -5.877 -15.933 6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.637 -13.506 5.641 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.399 -13.654 7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.532 -12.535 5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.898 -11.915 6.889 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.635 -13.384 6.339 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.369 -13.334 7.929 1.00 0.00 H new ATOM 1748 N SER A 117 -4.787 -16.685 4.404 1.00 0.00 N ATOM 1749 CA SER A 117 -4.737 -17.152 3.026 1.00 0.00 C ATOM 1750 C SER A 117 -5.328 -18.552 2.904 1.00 0.00 C ATOM 1751 O SER A 117 -5.220 -19.363 3.823 1.00 0.00 O ATOM 1752 CB SER A 117 -3.293 -17.144 2.518 1.00 0.00 C ATOM 1753 OG SER A 117 -2.748 -15.836 2.550 1.00 0.00 O ATOM 0 H SER A 117 -4.378 -17.327 5.083 1.00 0.00 H new ATOM 0 HA SER A 117 -5.333 -16.475 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.685 -17.810 3.131 1.00 0.00 H new ATOM 0 HB3 SER A 117 -3.261 -17.530 1.499 1.00 0.00 H new ATOM 0 HG SER A 117 -1.825 -15.858 2.222 1.00 0.00 H new ATOM 1759 N GLU A 118 -5.956 -18.831 1.765 1.00 0.00 N ATOM 1760 CA GLU A 118 -6.565 -20.134 1.526 1.00 0.00 C ATOM 1761 C GLU A 118 -6.069 -20.721 0.209 1.00 0.00 C ATOM 1762 O GLU A 118 -5.809 -19.987 -0.745 1.00 0.00 O ATOM 1763 CB GLU A 118 -8.094 -20.016 1.503 1.00 0.00 C ATOM 1764 CG GLU A 118 -8.698 -19.615 2.841 1.00 0.00 C ATOM 1765 CD GLU A 118 -10.207 -19.466 2.785 1.00 0.00 C ATOM 1766 OE1 GLU A 118 -10.773 -19.554 1.675 1.00 0.00 O ATOM 1767 OE2 GLU A 118 -10.821 -19.261 3.851 1.00 0.00 O ATOM 0 H GLU A 118 -6.056 -18.171 0.993 1.00 0.00 H new ATOM 0 HA GLU A 118 -6.276 -20.800 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -8.381 -19.282 0.750 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -8.518 -20.971 1.195 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -8.439 -20.363 3.590 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -8.256 -18.673 3.166 1.00 0.00 H new ATOM 1774 N LYS A 119 -5.938 -22.047 0.165 1.00 0.00 N ATOM 1775 CA LYS A 119 -5.468 -22.742 -1.035 1.00 0.00 C ATOM 1776 C LYS A 119 -6.429 -22.550 -2.206 1.00 0.00 C ATOM 1777 O LYS A 119 -5.996 -22.375 -3.345 1.00 0.00 O ATOM 1778 CB LYS A 119 -5.294 -24.236 -0.747 1.00 0.00 C ATOM 1779 CG LYS A 119 -4.117 -24.552 0.163 1.00 0.00 C ATOM 1780 CD LYS A 119 -4.071 -26.028 0.535 1.00 0.00 C ATOM 1781 CE LYS A 119 -3.721 -26.899 -0.663 1.00 0.00 C ATOM 1782 NZ LYS A 119 -2.339 -26.646 -1.149 1.00 0.00 N ATOM 0 H LYS A 119 -6.151 -22.664 0.949 1.00 0.00 H new ATOM 0 HA LYS A 119 -4.506 -22.311 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.207 -24.617 -0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.164 -24.766 -1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.188 -24.273 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -4.186 -23.951 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.335 -26.182 1.324 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -5.037 -26.333 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.823 -27.949 -0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -4.430 -26.709 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.048 -27.416 -1.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.312 -25.743 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.689 -26.602 -0.339 1.00 0.00 H new ATOM 1796 N SER A 120 -7.731 -22.586 -1.912 1.00 0.00 N ATOM 1797 CA SER A 120 -8.780 -22.419 -2.925 1.00 0.00 C ATOM 1798 C SER A 120 -8.721 -23.519 -3.992 1.00 0.00 C ATOM 1799 O SER A 120 -8.998 -23.274 -5.165 1.00 0.00 O ATOM 1800 CB SER A 120 -8.674 -21.040 -3.582 1.00 0.00 C ATOM 1801 OG SER A 120 -8.763 -20.008 -2.616 1.00 0.00 O ATOM 0 H SER A 120 -8.089 -22.731 -0.968 1.00 0.00 H new ATOM 0 HA SER A 120 -9.741 -22.500 -2.417 1.00 0.00 H new ATOM 0 HB2 SER A 120 -7.728 -20.961 -4.118 1.00 0.00 H new ATOM 0 HB3 SER A 120 -9.469 -20.922 -4.319 1.00 0.00 H new ATOM 0 HG SER A 120 -8.691 -19.137 -3.060 1.00 0.00 H new ATOM 1807 N TYR A 121 -8.370 -24.732 -3.570 1.00 0.00 N ATOM 1808 CA TYR A 121 -8.287 -25.872 -4.482 1.00 0.00 C ATOM 1809 C TYR A 121 -9.389 -26.887 -4.194 1.00 0.00 C ATOM 1810 O TYR A 121 -9.233 -28.082 -4.455 1.00 0.00 O ATOM 1811 CB TYR A 121 -6.917 -26.550 -4.393 1.00 0.00 C ATOM 1812 CG TYR A 121 -5.870 -25.948 -5.306 1.00 0.00 C ATOM 1813 CD1 TYR A 121 -5.163 -24.811 -4.941 1.00 0.00 C ATOM 1814 CD2 TYR A 121 -5.592 -26.525 -6.540 1.00 0.00 C ATOM 1815 CE1 TYR A 121 -4.208 -24.266 -5.780 1.00 0.00 C ATOM 1816 CE2 TYR A 121 -4.639 -25.986 -7.383 1.00 0.00 C ATOM 1817 CZ TYR A 121 -3.950 -24.855 -6.998 1.00 0.00 C ATOM 1818 OH TYR A 121 -3.000 -24.317 -7.832 1.00 0.00 O ATOM 0 H TYR A 121 -8.138 -24.951 -2.601 1.00 0.00 H new ATOM 0 HA TYR A 121 -8.421 -25.490 -5.494 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -6.562 -26.494 -3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -7.030 -27.607 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -5.362 -24.345 -3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -6.130 -27.410 -6.845 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -3.666 -23.381 -5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -4.435 -26.448 -8.338 1.00 0.00 H new ATOM 0 HH TYR A 121 -2.941 -24.854 -8.650 1.00 0.00 H new ATOM 1828 N GLN A 122 -10.502 -26.410 -3.652 1.00 0.00 N ATOM 1829 CA GLN A 122 -11.626 -27.280 -3.325 1.00 0.00 C ATOM 1830 C GLN A 122 -12.850 -26.913 -4.155 1.00 0.00 C ATOM 1831 O GLN A 122 -13.107 -25.738 -4.413 1.00 0.00 O ATOM 1832 CB GLN A 122 -11.958 -27.184 -1.832 1.00 0.00 C ATOM 1833 CG GLN A 122 -10.893 -27.787 -0.928 1.00 0.00 C ATOM 1834 CD GLN A 122 -11.139 -27.494 0.538 1.00 0.00 C ATOM 1835 OE1 GLN A 122 -11.713 -26.463 0.890 1.00 0.00 O ATOM 1836 NE2 GLN A 122 -10.704 -28.397 1.405 1.00 0.00 N ATOM 0 H GLN A 122 -10.651 -25.426 -3.429 1.00 0.00 H new ATOM 0 HA GLN A 122 -11.342 -28.306 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -12.096 -26.136 -1.566 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -12.907 -27.688 -1.647 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.862 -28.866 -1.079 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.916 -27.397 -1.214 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -10.233 -29.238 1.072 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -10.840 -28.251 2.405 1.00 0.00 H new ATOM 1845 N GLU A 123 -13.603 -27.925 -4.572 1.00 0.00 N ATOM 1846 CA GLU A 123 -14.801 -27.710 -5.375 1.00 0.00 C ATOM 1847 C GLU A 123 -16.009 -28.373 -4.723 1.00 0.00 C ATOM 1848 O GLU A 123 -15.884 -29.419 -4.086 1.00 0.00 O ATOM 1849 CB GLU A 123 -14.604 -28.262 -6.790 1.00 0.00 C ATOM 1850 CG GLU A 123 -13.551 -27.519 -7.601 1.00 0.00 C ATOM 1851 CD GLU A 123 -13.327 -28.128 -8.973 1.00 0.00 C ATOM 1852 OE1 GLU A 123 -13.877 -29.218 -9.237 1.00 0.00 O ATOM 1853 OE2 GLU A 123 -12.603 -27.512 -9.781 1.00 0.00 O ATOM 0 H GLU A 123 -13.404 -28.904 -4.367 1.00 0.00 H new ATOM 0 HA GLU A 123 -14.981 -26.637 -5.437 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -14.323 -29.313 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -15.555 -28.220 -7.322 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -13.855 -26.478 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -12.610 -27.518 -7.051 1.00 0.00 H new ATOM 1860 N GLY A 124 -17.176 -27.765 -4.886 1.00 0.00 N ATOM 1861 CA GLY A 124 -18.388 -28.314 -4.306 1.00 0.00 C ATOM 1862 C GLY A 124 -19.636 -27.653 -4.854 1.00 0.00 C ATOM 1863 O GLY A 124 -19.497 -26.684 -5.630 1.00 0.00 O ATOM 1864 OXT GLY A 124 -20.748 -28.105 -4.511 1.00 0.00 O ATOM 0 H GLY A 124 -17.306 -26.900 -5.410 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -18.430 -29.385 -4.503 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -18.359 -28.190 -3.223 1.00 0.00 H new TER 1868 GLY A 124