USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 677 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 NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 601 ZNZN :(H bumps) USER MOD NoAdj-H: A 65 HIS HE2 : A 65 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HE2 : A 68 HIS NE2 : A 602 ZNZN :(H bumps) USER MOD Set 1.1: A 22 HIS : no HD1:sc= -0.484 K(o=-4.6,f=-5.2) USER MOD Set 1.2: A 69 MET CE :methyl -116:sc= -4.08 (180deg=-7.93!) USER MOD Single : A 1 GLU N :NH3+ -168:sc= -0.0486 (180deg=-0.174) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.412) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 145:sc= -0.0301 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.138 USER MOD Single : A 32 TYR OH : rot 90:sc= -1.16 USER MOD Single : A 33 HIS : no HE2:sc= -1.66 X(o=-1.7,f=-1.9!) USER MOD Single : A 36 THR OG1 : rot 164:sc= 0.186 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.255 X(o=-0.26,f=-0.66) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -1.42 X(o=-1.4,f=-1.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 CYS SG : rot -18:sc= 0.142 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 4.253 -28.229 2.953 1.00 0.00 N ATOM 2 CA GLU A 1 3.700 -27.868 4.284 1.00 0.00 C ATOM 3 C GLU A 1 2.621 -26.795 4.159 1.00 0.00 C ATOM 4 O GLU A 1 1.692 -26.741 4.964 1.00 0.00 O ATOM 5 CB GLU A 1 4.846 -27.367 5.168 1.00 0.00 C ATOM 6 CG GLU A 1 5.091 -28.234 6.392 1.00 0.00 C ATOM 7 CD GLU A 1 4.521 -27.627 7.659 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.285 -27.678 7.838 1.00 0.00 O ATOM 9 OE2 GLU A 1 5.309 -27.102 8.473 1.00 0.00 O ATOM 0 H1 GLU A 1 4.829 -29.091 3.038 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.472 -28.399 2.287 1.00 0.00 H new ATOM 0 H3 GLU A 1 4.845 -27.450 2.600 1.00 0.00 H new ATOM 0 HA GLU A 1 3.238 -28.748 4.732 1.00 0.00 H new ATOM 0 HB2 GLU A 1 5.759 -27.323 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 1 4.627 -26.349 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 1 4.646 -29.216 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.163 -28.386 6.517 1.00 0.00 H new ATOM 18 N SER A 2 2.751 -25.945 3.146 1.00 0.00 N ATOM 19 CA SER A 2 1.787 -24.876 2.918 1.00 0.00 C ATOM 20 C SER A 2 1.534 -24.678 1.426 1.00 0.00 C ATOM 21 O SER A 2 0.388 -24.579 0.989 1.00 0.00 O ATOM 22 CB SER A 2 2.286 -23.569 3.538 1.00 0.00 C ATOM 23 OG SER A 2 1.806 -23.417 4.863 1.00 0.00 O ATOM 0 H SER A 2 3.514 -25.976 2.470 1.00 0.00 H new ATOM 0 HA SER A 2 0.849 -25.162 3.393 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.376 -23.556 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.958 -22.726 2.930 1.00 0.00 H new ATOM 0 HG SER A 2 2.140 -22.575 5.237 1.00 0.00 H new ATOM 29 N LYS A 3 2.612 -24.624 0.649 1.00 0.00 N ATOM 30 CA LYS A 3 2.505 -24.438 -0.793 1.00 0.00 C ATOM 31 C LYS A 3 1.836 -23.107 -1.121 1.00 0.00 C ATOM 32 O LYS A 3 0.634 -22.937 -0.915 1.00 0.00 O ATOM 33 CB LYS A 3 1.715 -25.589 -1.421 1.00 0.00 C ATOM 34 CG LYS A 3 2.588 -26.737 -1.897 1.00 0.00 C ATOM 35 CD LYS A 3 1.765 -27.983 -2.183 1.00 0.00 C ATOM 36 CE LYS A 3 2.537 -29.249 -1.850 1.00 0.00 C ATOM 37 NZ LYS A 3 3.134 -29.870 -3.064 1.00 0.00 N ATOM 0 H LYS A 3 3.568 -24.706 0.994 1.00 0.00 H new ATOM 0 HA LYS A 3 3.512 -24.430 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.998 -25.967 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.140 -25.207 -2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.123 -26.439 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.339 -26.962 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.844 -27.954 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.477 -27.997 -3.234 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.327 -29.016 -1.136 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.871 -29.964 -1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.652 -30.731 -2.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.379 -30.116 -3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.789 -29.198 -3.512 1.00 0.00 H new ATOM 51 N LYS A 4 2.623 -22.166 -1.633 1.00 0.00 N ATOM 52 CA LYS A 4 2.107 -20.849 -1.990 1.00 0.00 C ATOM 53 C LYS A 4 2.075 -20.668 -3.504 1.00 0.00 C ATOM 54 O LYS A 4 2.894 -21.238 -4.225 1.00 0.00 O ATOM 55 CB LYS A 4 2.964 -19.754 -1.349 1.00 0.00 C ATOM 56 CG LYS A 4 2.151 -18.673 -0.655 1.00 0.00 C ATOM 57 CD LYS A 4 2.988 -17.433 -0.383 1.00 0.00 C ATOM 58 CE LYS A 4 2.687 -16.328 -1.381 1.00 0.00 C ATOM 59 NZ LYS A 4 1.741 -15.319 -0.827 1.00 0.00 N ATOM 0 H LYS A 4 3.620 -22.291 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 4 1.087 -20.770 -1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.639 -20.210 -0.625 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.584 -19.293 -2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.295 -18.406 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.756 -19.060 0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.792 -17.075 0.628 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.046 -17.689 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.616 -15.835 -1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.264 -16.763 -2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.178 -14.909 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.106 -15.777 -0.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.277 -14.565 -0.352 1.00 0.00 H new ATOM 73 N GLU A 5 1.122 -19.871 -3.978 1.00 0.00 N ATOM 74 CA GLU A 5 0.982 -19.613 -5.407 1.00 0.00 C ATOM 75 C GLU A 5 2.099 -18.699 -5.906 1.00 0.00 C ATOM 76 O GLU A 5 2.685 -17.941 -5.132 1.00 0.00 O ATOM 77 CB GLU A 5 -0.380 -18.980 -5.698 1.00 0.00 C ATOM 78 CG GLU A 5 -0.645 -17.713 -4.901 1.00 0.00 C ATOM 79 CD GLU A 5 -1.602 -16.771 -5.604 1.00 0.00 C ATOM 80 OE1 GLU A 5 -1.760 -16.898 -6.837 1.00 0.00 O ATOM 81 OE2 GLU A 5 -2.192 -15.907 -4.923 1.00 0.00 O ATOM 0 H GLU A 5 0.436 -19.393 -3.394 1.00 0.00 H new ATOM 0 HA GLU A 5 1.054 -20.565 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.445 -18.750 -6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.163 -19.707 -5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.054 -17.980 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 5 0.299 -17.198 -4.720 1.00 0.00 H new ATOM 88 N PRO A 6 2.410 -18.758 -7.213 1.00 0.00 N ATOM 89 CA PRO A 6 3.461 -17.930 -7.812 1.00 0.00 C ATOM 90 C PRO A 6 3.092 -16.451 -7.817 1.00 0.00 C ATOM 91 O PRO A 6 2.102 -16.049 -8.426 1.00 0.00 O ATOM 92 CB PRO A 6 3.570 -18.460 -9.243 1.00 0.00 C ATOM 93 CG PRO A 6 2.245 -19.082 -9.521 1.00 0.00 C ATOM 94 CD PRO A 6 1.761 -19.631 -8.208 1.00 0.00 C ATOM 0 HA PRO A 6 4.395 -17.992 -7.254 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.785 -17.656 -9.947 1.00 0.00 H new ATOM 0 HB3 PRO A 6 4.376 -19.188 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.545 -18.347 -9.918 1.00 0.00 H new ATOM 0 HG3 PRO A 6 2.334 -19.873 -10.266 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.675 -19.590 -8.131 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.050 -20.674 -8.077 1.00 0.00 H new ATOM 102 N GLU A 7 3.897 -15.648 -7.131 1.00 0.00 N ATOM 103 CA GLU A 7 3.659 -14.212 -7.053 1.00 0.00 C ATOM 104 C GLU A 7 4.865 -13.496 -6.453 1.00 0.00 C ATOM 105 O GLU A 7 5.291 -13.801 -5.339 1.00 0.00 O ATOM 106 CB GLU A 7 2.413 -13.926 -6.214 1.00 0.00 C ATOM 107 CG GLU A 7 2.463 -14.535 -4.823 1.00 0.00 C ATOM 108 CD GLU A 7 2.104 -13.540 -3.734 1.00 0.00 C ATOM 109 OE1 GLU A 7 0.896 -13.351 -3.477 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.030 -12.949 -3.141 1.00 0.00 O ATOM 0 H GLU A 7 4.720 -15.967 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 7 3.501 -13.838 -8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.285 -12.847 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.537 -14.309 -6.738 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.777 -15.381 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.464 -14.925 -4.637 1.00 0.00 H new ATOM 117 N PHE A 8 5.411 -12.543 -7.201 1.00 0.00 N ATOM 118 CA PHE A 8 6.567 -11.779 -6.746 1.00 0.00 C ATOM 119 C PHE A 8 6.150 -10.386 -6.277 1.00 0.00 C ATOM 120 O PHE A 8 6.076 -9.452 -7.076 1.00 0.00 O ATOM 121 CB PHE A 8 7.601 -11.664 -7.868 1.00 0.00 C ATOM 122 CG PHE A 8 8.831 -10.894 -7.476 1.00 0.00 C ATOM 123 CD1 PHE A 8 8.887 -9.519 -7.647 1.00 0.00 C ATOM 124 CD2 PHE A 8 9.928 -11.544 -6.937 1.00 0.00 C ATOM 125 CE1 PHE A 8 10.016 -8.809 -7.287 1.00 0.00 C ATOM 126 CE2 PHE A 8 11.061 -10.839 -6.576 1.00 0.00 C ATOM 127 CZ PHE A 8 11.105 -9.469 -6.751 1.00 0.00 C ATOM 0 H PHE A 8 5.071 -12.281 -8.126 1.00 0.00 H new ATOM 0 HA PHE A 8 7.012 -12.308 -5.903 1.00 0.00 H new ATOM 0 HB2 PHE A 8 7.895 -12.665 -8.184 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.139 -11.181 -8.729 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.039 -8.998 -8.066 1.00 0.00 H new ATOM 0 HD2 PHE A 8 9.898 -12.614 -6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 8 10.047 -7.738 -7.425 1.00 0.00 H new ATOM 0 HE2 PHE A 8 11.911 -11.358 -6.158 1.00 0.00 H new ATOM 0 HZ PHE A 8 11.989 -8.915 -6.469 1.00 0.00 H new ATOM 137 N PRO A 9 5.870 -10.226 -4.971 1.00 0.00 N ATOM 138 CA PRO A 9 5.461 -8.939 -4.405 1.00 0.00 C ATOM 139 C PRO A 9 6.613 -7.943 -4.336 1.00 0.00 C ATOM 140 O PRO A 9 7.761 -8.283 -4.625 1.00 0.00 O ATOM 141 CB PRO A 9 4.991 -9.305 -2.997 1.00 0.00 C ATOM 142 CG PRO A 9 5.758 -10.536 -2.654 1.00 0.00 C ATOM 143 CD PRO A 9 5.932 -11.287 -3.946 1.00 0.00 C ATOM 0 HA PRO A 9 4.698 -8.452 -5.013 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.194 -8.501 -2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.917 -9.487 -2.972 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.724 -10.285 -2.215 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.222 -11.139 -1.921 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.883 -11.819 -3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.146 -12.029 -4.088 1.00 0.00 H new ATOM 151 N VAL A 10 6.299 -6.711 -3.951 1.00 0.00 N ATOM 152 CA VAL A 10 7.307 -5.663 -3.841 1.00 0.00 C ATOM 153 C VAL A 10 7.239 -4.986 -2.478 1.00 0.00 C ATOM 154 O VAL A 10 6.564 -3.972 -2.313 1.00 0.00 O ATOM 155 CB VAL A 10 7.132 -4.593 -4.936 1.00 0.00 C ATOM 156 CG1 VAL A 10 8.292 -3.611 -4.912 1.00 0.00 C ATOM 157 CG2 VAL A 10 7.001 -5.242 -6.305 1.00 0.00 C ATOM 0 H VAL A 10 5.354 -6.413 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 10 8.278 -6.143 -3.965 1.00 0.00 H new ATOM 0 HB VAL A 10 6.214 -4.041 -4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.151 -2.863 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.332 -3.119 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.225 -4.146 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.878 -4.469 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.898 -5.822 -6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.132 -5.900 -6.314 1.00 0.00 H new ATOM 167 N GLU A 11 7.943 -5.551 -1.504 1.00 0.00 N ATOM 168 CA GLU A 11 7.962 -4.999 -0.154 1.00 0.00 C ATOM 169 C GLU A 11 8.858 -3.764 -0.083 1.00 0.00 C ATOM 170 O GLU A 11 10.082 -3.874 -0.150 1.00 0.00 O ATOM 171 CB GLU A 11 8.449 -6.052 0.843 1.00 0.00 C ATOM 172 CG GLU A 11 9.840 -6.583 0.536 1.00 0.00 C ATOM 173 CD GLU A 11 9.970 -8.070 0.808 1.00 0.00 C ATOM 174 OE1 GLU A 11 8.983 -8.801 0.585 1.00 0.00 O ATOM 175 OE2 GLU A 11 11.057 -8.500 1.246 1.00 0.00 O ATOM 0 H GLU A 11 8.508 -6.391 -1.624 1.00 0.00 H new ATOM 0 HA GLU A 11 6.945 -4.705 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.446 -5.621 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.745 -6.884 0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.077 -6.387 -0.510 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.572 -6.042 1.136 1.00 0.00 H new ATOM 182 N PRO A 12 8.262 -2.564 0.057 1.00 0.00 N ATOM 183 CA PRO A 12 9.021 -1.313 0.138 1.00 0.00 C ATOM 184 C PRO A 12 9.790 -1.185 1.448 1.00 0.00 C ATOM 185 O PRO A 12 9.717 -2.060 2.310 1.00 0.00 O ATOM 186 CB PRO A 12 7.941 -0.234 0.048 1.00 0.00 C ATOM 187 CG PRO A 12 6.710 -0.892 0.566 1.00 0.00 C ATOM 188 CD PRO A 12 6.807 -2.333 0.147 1.00 0.00 C ATOM 0 HA PRO A 12 9.777 -1.246 -0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.204 0.641 0.643 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.806 0.108 -0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.647 -0.804 1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.815 -0.425 0.155 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.339 -2.996 0.875 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.312 -2.508 -0.808 1.00 0.00 H new ATOM 196 N VAL A 13 10.529 -0.088 1.590 1.00 0.00 N ATOM 197 CA VAL A 13 11.312 0.157 2.799 1.00 0.00 C ATOM 198 C VAL A 13 12.259 -1.003 3.086 1.00 0.00 C ATOM 199 O VAL A 13 11.980 -1.848 3.938 1.00 0.00 O ATOM 200 CB VAL A 13 10.405 0.383 4.023 1.00 0.00 C ATOM 201 CG1 VAL A 13 11.218 0.897 5.201 1.00 0.00 C ATOM 202 CG2 VAL A 13 9.276 1.347 3.684 1.00 0.00 C ATOM 0 H VAL A 13 10.602 0.645 0.884 1.00 0.00 H new ATOM 0 HA VAL A 13 11.894 1.061 2.619 1.00 0.00 H new ATOM 0 HB VAL A 13 9.962 -0.572 4.304 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.561 1.051 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.986 0.167 5.459 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.691 1.841 4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.647 1.493 4.562 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.696 2.304 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.677 0.934 2.873 1.00 0.00 H new ATOM 212 N GLY A 14 13.376 -1.039 2.370 1.00 0.00 N ATOM 213 CA GLY A 14 14.347 -2.100 2.561 1.00 0.00 C ATOM 214 C GLY A 14 14.880 -2.153 3.980 1.00 0.00 C ATOM 215 O GLY A 14 15.278 -3.213 4.462 1.00 0.00 O ATOM 0 H GLY A 14 13.627 -0.352 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.888 -3.057 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 14 15.177 -1.956 1.870 1.00 0.00 H new ATOM 219 N GLU A 15 14.891 -1.004 4.649 1.00 0.00 N ATOM 220 CA GLU A 15 15.381 -0.923 6.022 1.00 0.00 C ATOM 221 C GLU A 15 14.519 -1.765 6.958 1.00 0.00 C ATOM 222 O GLU A 15 15.007 -2.697 7.596 1.00 0.00 O ATOM 223 CB GLU A 15 15.398 0.530 6.494 1.00 0.00 C ATOM 224 CG GLU A 15 16.378 1.408 5.731 1.00 0.00 C ATOM 225 CD GLU A 15 16.448 2.819 6.283 1.00 0.00 C ATOM 226 OE1 GLU A 15 15.574 3.638 5.933 1.00 0.00 O ATOM 227 OE2 GLU A 15 17.378 3.102 7.067 1.00 0.00 O ATOM 0 H GLU A 15 14.567 -0.117 4.264 1.00 0.00 H new ATOM 0 HA GLU A 15 16.398 -1.316 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.396 0.947 6.394 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.650 0.556 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.370 0.957 5.769 1.00 0.00 H new ATOM 0 HG3 GLU A 15 16.085 1.446 4.682 1.00 0.00 H new ATOM 234 N LYS A 16 13.236 -1.428 7.036 1.00 0.00 N ATOM 235 CA LYS A 16 12.305 -2.152 7.893 1.00 0.00 C ATOM 236 C LYS A 16 10.865 -1.753 7.586 1.00 0.00 C ATOM 237 O LYS A 16 10.411 -0.678 7.979 1.00 0.00 O ATOM 238 CB LYS A 16 12.622 -1.882 9.366 1.00 0.00 C ATOM 239 CG LYS A 16 12.746 -3.145 10.203 1.00 0.00 C ATOM 240 CD LYS A 16 11.436 -3.488 10.895 1.00 0.00 C ATOM 241 CE LYS A 16 11.652 -3.835 12.359 1.00 0.00 C ATOM 242 NZ LYS A 16 10.822 -4.997 12.782 1.00 0.00 N ATOM 0 H LYS A 16 12.817 -0.657 6.515 1.00 0.00 H new ATOM 0 HA LYS A 16 12.417 -3.218 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.554 -1.320 9.431 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.839 -1.252 9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.050 -3.976 9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.529 -3.012 10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.751 -2.644 10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.964 -4.329 10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.705 -4.061 12.527 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.408 -2.971 12.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.998 -5.202 13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.816 -4.773 12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.072 -5.829 12.210 1.00 0.00 H new ATOM 256 N SER A 17 10.154 -2.622 6.877 1.00 0.00 N ATOM 257 CA SER A 17 8.767 -2.357 6.513 1.00 0.00 C ATOM 258 C SER A 17 7.812 -3.268 7.280 1.00 0.00 C ATOM 259 O SER A 17 7.784 -4.479 7.062 1.00 0.00 O ATOM 260 CB SER A 17 8.569 -2.544 5.008 1.00 0.00 C ATOM 261 OG SER A 17 7.731 -1.532 4.473 1.00 0.00 O ATOM 0 H SER A 17 10.515 -3.516 6.543 1.00 0.00 H new ATOM 0 HA SER A 17 8.542 -1.324 6.779 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.536 -2.523 4.506 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.131 -3.523 4.815 1.00 0.00 H new ATOM 0 HG SER A 17 8.035 -1.299 3.571 1.00 0.00 H new ATOM 267 N ASN A 18 7.026 -2.675 8.173 1.00 0.00 N ATOM 268 CA ASN A 18 6.063 -3.428 8.967 1.00 0.00 C ATOM 269 C ASN A 18 4.878 -3.853 8.107 1.00 0.00 C ATOM 270 O ASN A 18 4.781 -3.476 6.940 1.00 0.00 O ATOM 271 CB ASN A 18 5.580 -2.588 10.154 1.00 0.00 C ATOM 272 CG ASN A 18 5.951 -3.207 11.488 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.530 -4.316 11.808 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.743 -2.486 12.273 1.00 0.00 N ATOM 0 H ASN A 18 7.038 -1.673 8.365 1.00 0.00 H new ATOM 0 HA ASN A 18 6.555 -4.323 9.348 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.010 -1.589 10.088 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.498 -2.473 10.098 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.026 -2.849 13.183 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.068 -1.570 11.966 1.00 0.00 H new ATOM 281 N TYR A 19 3.977 -4.642 8.685 1.00 0.00 N ATOM 282 CA TYR A 19 2.803 -5.111 7.956 1.00 0.00 C ATOM 283 C TYR A 19 1.538 -4.945 8.791 1.00 0.00 C ATOM 284 O TYR A 19 1.392 -5.557 9.850 1.00 0.00 O ATOM 285 CB TYR A 19 2.965 -6.578 7.539 1.00 0.00 C ATOM 286 CG TYR A 19 4.395 -7.078 7.574 1.00 0.00 C ATOM 287 CD1 TYR A 19 5.366 -6.520 6.751 1.00 0.00 C ATOM 288 CD2 TYR A 19 4.769 -8.106 8.429 1.00 0.00 C ATOM 289 CE1 TYR A 19 6.670 -6.974 6.779 1.00 0.00 C ATOM 290 CE2 TYR A 19 6.073 -8.565 8.463 1.00 0.00 C ATOM 291 CZ TYR A 19 7.019 -7.996 7.637 1.00 0.00 C ATOM 292 OH TYR A 19 8.317 -8.451 7.667 1.00 0.00 O ATOM 0 H TYR A 19 4.036 -4.968 9.650 1.00 0.00 H new ATOM 0 HA TYR A 19 2.710 -4.501 7.057 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.358 -7.200 8.196 1.00 0.00 H new ATOM 0 HB3 TYR A 19 2.573 -6.703 6.530 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.097 -5.719 6.079 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.030 -8.554 9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.413 -6.531 6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.349 -9.365 9.133 1.00 0.00 H new ATOM 0 HH TYR A 19 8.396 -9.172 8.326 1.00 0.00 H new ATOM 302 N ILE A 20 0.625 -4.114 8.303 1.00 0.00 N ATOM 303 CA ILE A 20 -0.634 -3.860 8.989 1.00 0.00 C ATOM 304 C ILE A 20 -1.598 -5.030 8.817 1.00 0.00 C ATOM 305 O ILE A 20 -2.108 -5.271 7.722 1.00 0.00 O ATOM 306 CB ILE A 20 -1.301 -2.570 8.460 1.00 0.00 C ATOM 307 CG1 ILE A 20 -0.465 -1.346 8.837 1.00 0.00 C ATOM 308 CG2 ILE A 20 -2.720 -2.433 8.998 1.00 0.00 C ATOM 309 CD1 ILE A 20 0.633 -1.037 7.842 1.00 0.00 C ATOM 0 H ILE A 20 0.735 -3.602 7.428 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.407 -3.738 10.048 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.355 -2.634 7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.121 -0.480 8.923 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.020 -1.508 9.819 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.169 -1.518 8.612 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.314 -3.290 8.681 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.694 -2.393 10.087 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.186 -0.157 8.172 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.311 -1.887 7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.193 -0.843 6.864 1.00 0.00 H new ATOM 321 N CYS A 21 -1.849 -5.747 9.906 1.00 0.00 N ATOM 322 CA CYS A 21 -2.759 -6.884 9.879 1.00 0.00 C ATOM 323 C CYS A 21 -4.206 -6.411 9.954 1.00 0.00 C ATOM 324 O CYS A 21 -4.547 -5.555 10.772 1.00 0.00 O ATOM 325 CB CYS A 21 -2.458 -7.836 11.039 1.00 0.00 C ATOM 326 SG CYS A 21 -1.390 -9.226 10.594 1.00 0.00 S ATOM 0 H CYS A 21 -1.434 -5.560 10.819 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.613 -7.417 8.940 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.987 -7.273 11.844 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.398 -8.225 11.430 1.00 0.00 H new ATOM 0 HG CYS A 21 -1.191 -9.972 11.640 1.00 0.00 H new ATOM 332 N HIS A 22 -5.054 -6.965 9.096 1.00 0.00 N ATOM 333 CA HIS A 22 -6.462 -6.589 9.069 1.00 0.00 C ATOM 334 C HIS A 22 -7.285 -7.588 8.261 1.00 0.00 C ATOM 335 O HIS A 22 -7.163 -7.657 7.039 1.00 0.00 O ATOM 336 CB HIS A 22 -6.622 -5.187 8.479 1.00 0.00 C ATOM 337 CG HIS A 22 -8.010 -4.640 8.609 1.00 0.00 C ATOM 338 ND1 HIS A 22 -8.858 -4.476 7.533 1.00 0.00 N ATOM 339 CD2 HIS A 22 -8.700 -4.219 9.696 1.00 0.00 C ATOM 340 CE1 HIS A 22 -10.008 -3.978 7.954 1.00 0.00 C ATOM 341 NE2 HIS A 22 -9.937 -3.813 9.260 1.00 0.00 N ATOM 0 H HIS A 22 -4.792 -7.674 8.411 1.00 0.00 H new ATOM 0 HA HIS A 22 -6.830 -6.594 10.095 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.925 -4.511 8.975 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.347 -5.211 7.425 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.344 -4.205 10.715 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.861 -3.746 7.333 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.681 -3.443 9.851 1.00 0.00 H new ATOM 350 N LYS A 23 -8.132 -8.345 8.956 1.00 0.00 N ATOM 351 CA LYS A 23 -9.007 -9.343 8.330 1.00 0.00 C ATOM 352 C LYS A 23 -8.402 -9.948 7.061 1.00 0.00 C ATOM 353 O LYS A 23 -8.758 -9.560 5.950 1.00 0.00 O ATOM 354 CB LYS A 23 -10.365 -8.724 8.006 1.00 0.00 C ATOM 355 CG LYS A 23 -10.285 -7.273 7.558 1.00 0.00 C ATOM 356 CD LYS A 23 -11.403 -6.922 6.594 1.00 0.00 C ATOM 357 CE LYS A 23 -12.771 -7.143 7.217 1.00 0.00 C ATOM 358 NZ LYS A 23 -13.755 -6.117 6.774 1.00 0.00 N ATOM 0 H LYS A 23 -8.233 -8.286 9.969 1.00 0.00 H new ATOM 0 HA LYS A 23 -9.127 -10.152 9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.844 -9.311 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -11.003 -8.788 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.337 -6.620 8.429 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.322 -7.092 7.080 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.306 -5.880 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.311 -7.529 5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.136 -8.135 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.684 -7.117 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.675 -6.303 7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.420 -5.172 7.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.858 -6.158 5.740 1.00 0.00 H new ATOM 372 N GLY A 24 -7.501 -10.906 7.237 1.00 0.00 N ATOM 373 CA GLY A 24 -6.878 -11.558 6.095 1.00 0.00 C ATOM 374 C GLY A 24 -6.067 -10.617 5.227 1.00 0.00 C ATOM 375 O GLY A 24 -5.676 -10.982 4.119 1.00 0.00 O ATOM 0 H GLY A 24 -7.189 -11.245 8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.230 -12.358 6.453 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.653 -12.024 5.486 1.00 0.00 H new ATOM 379 N HIS A 25 -5.805 -9.407 5.714 1.00 0.00 N ATOM 380 CA HIS A 25 -5.033 -8.440 4.946 1.00 0.00 C ATOM 381 C HIS A 25 -3.806 -7.955 5.710 1.00 0.00 C ATOM 382 O HIS A 25 -3.888 -7.608 6.887 1.00 0.00 O ATOM 383 CB HIS A 25 -5.910 -7.251 4.531 1.00 0.00 C ATOM 384 CG HIS A 25 -6.029 -7.125 3.048 1.00 0.00 C ATOM 385 ND1 HIS A 25 -6.995 -6.391 2.390 1.00 0.00 N ATOM 386 CD2 HIS A 25 -5.280 -7.702 2.088 1.00 0.00 C ATOM 387 CE1 HIS A 25 -6.800 -6.556 1.070 1.00 0.00 C ATOM 388 NE2 HIS A 25 -5.767 -7.347 0.848 1.00 0.00 N ATOM 0 H HIS A 25 -6.113 -9.077 6.628 1.00 0.00 H new ATOM 0 HA HIS A 25 -4.681 -8.948 4.048 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -6.903 -7.366 4.964 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -5.489 -6.332 4.939 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -7.724 -5.826 2.826 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.429 -8.344 2.263 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -7.405 -6.104 0.298 1.00 0.00 H new ATOM 396 N GLU A 26 -2.667 -7.931 5.022 1.00 0.00 N ATOM 397 CA GLU A 26 -1.415 -7.487 5.621 1.00 0.00 C ATOM 398 C GLU A 26 -0.830 -6.324 4.827 1.00 0.00 C ATOM 399 O GLU A 26 0.165 -6.478 4.119 1.00 0.00 O ATOM 400 CB GLU A 26 -0.413 -8.642 5.680 1.00 0.00 C ATOM 401 CG GLU A 26 -0.426 -9.392 7.002 1.00 0.00 C ATOM 402 CD GLU A 26 0.692 -10.413 7.103 1.00 0.00 C ATOM 403 OE1 GLU A 26 1.676 -10.293 6.343 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.584 -11.329 7.945 1.00 0.00 O ATOM 0 H GLU A 26 -2.587 -8.215 4.046 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.619 -7.149 6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.630 -9.342 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.589 -8.252 5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.337 -8.679 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.385 -9.896 7.121 1.00 0.00 H new ATOM 411 N PHE A 27 -1.459 -5.159 4.948 1.00 0.00 N ATOM 412 CA PHE A 27 -1.007 -3.968 4.238 1.00 0.00 C ATOM 413 C PHE A 27 0.397 -3.573 4.673 1.00 0.00 C ATOM 414 O PHE A 27 0.872 -3.989 5.727 1.00 0.00 O ATOM 415 CB PHE A 27 -1.973 -2.802 4.461 1.00 0.00 C ATOM 416 CG PHE A 27 -3.421 -3.205 4.476 1.00 0.00 C ATOM 417 CD1 PHE A 27 -4.043 -3.647 3.320 1.00 0.00 C ATOM 418 CD2 PHE A 27 -4.160 -3.141 5.646 1.00 0.00 C ATOM 419 CE1 PHE A 27 -5.373 -4.019 3.328 1.00 0.00 C ATOM 420 CE2 PHE A 27 -5.491 -3.512 5.663 1.00 0.00 C ATOM 421 CZ PHE A 27 -6.098 -3.950 4.502 1.00 0.00 C ATOM 0 H PHE A 27 -2.283 -5.015 5.531 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.985 -4.205 3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.731 -2.318 5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.820 -2.061 3.676 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.480 -3.701 2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.690 -2.797 6.556 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.845 -4.363 2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.056 -3.460 6.582 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.139 -4.238 4.512 1.00 0.00 H new ATOM 431 N ILE A 28 1.063 -2.784 3.841 1.00 0.00 N ATOM 432 CA ILE A 28 2.421 -2.344 4.125 1.00 0.00 C ATOM 433 C ILE A 28 2.547 -0.830 3.994 1.00 0.00 C ATOM 434 O ILE A 28 2.103 -0.246 3.007 1.00 0.00 O ATOM 435 CB ILE A 28 3.429 -3.014 3.178 1.00 0.00 C ATOM 436 CG1 ILE A 28 3.091 -4.501 2.999 1.00 0.00 C ATOM 437 CG2 ILE A 28 4.847 -2.833 3.700 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.550 -5.379 4.145 1.00 0.00 C ATOM 0 H ILE A 28 0.683 -2.435 2.961 1.00 0.00 H new ATOM 0 HA ILE A 28 2.644 -2.635 5.152 1.00 0.00 H new ATOM 0 HB ILE A 28 3.364 -2.535 2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.012 -4.607 2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.547 -4.858 2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.550 -3.313 3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.077 -1.770 3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.932 -3.287 4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.274 -6.414 3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 28 4.633 -5.306 4.249 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.074 -5.050 5.069 1.00 0.00 H new ATOM 450 N PRO A 29 3.161 -0.172 4.992 1.00 0.00 N ATOM 451 CA PRO A 29 3.343 1.280 4.982 1.00 0.00 C ATOM 452 C PRO A 29 4.362 1.735 3.948 1.00 0.00 C ATOM 453 O PRO A 29 5.542 1.391 4.030 1.00 0.00 O ATOM 454 CB PRO A 29 3.843 1.587 6.390 1.00 0.00 C ATOM 455 CG PRO A 29 4.491 0.328 6.849 1.00 0.00 C ATOM 456 CD PRO A 29 3.725 -0.792 6.204 1.00 0.00 C ATOM 0 HA PRO A 29 2.422 1.799 4.718 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.550 2.417 6.386 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.022 1.871 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.541 0.301 6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.460 0.247 7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.374 -1.633 5.959 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.943 -1.173 6.861 1.00 0.00 H new ATOM 464 N THR A 30 3.901 2.515 2.981 1.00 0.00 N ATOM 465 CA THR A 30 4.771 3.024 1.934 1.00 0.00 C ATOM 466 C THR A 30 4.184 4.283 1.301 1.00 0.00 C ATOM 467 O THR A 30 3.013 4.602 1.504 1.00 0.00 O ATOM 468 CB THR A 30 4.996 1.957 0.863 1.00 0.00 C ATOM 469 OG1 THR A 30 5.932 2.401 -0.101 1.00 0.00 O ATOM 470 CG2 THR A 30 3.729 1.570 0.130 1.00 0.00 C ATOM 0 H THR A 30 2.928 2.809 2.901 1.00 0.00 H new ATOM 0 HA THR A 30 5.729 3.280 2.387 1.00 0.00 H new ATOM 0 HB THR A 30 5.368 1.084 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.063 1.703 -0.776 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.958 0.809 -0.616 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.004 1.174 0.841 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.312 2.448 -0.363 1.00 0.00 H new ATOM 478 N LEU A 31 5.004 4.992 0.531 1.00 0.00 N ATOM 479 CA LEU A 31 4.563 6.212 -0.134 1.00 0.00 C ATOM 480 C LEU A 31 4.492 6.012 -1.644 1.00 0.00 C ATOM 481 O LEU A 31 5.123 5.106 -2.190 1.00 0.00 O ATOM 482 CB LEU A 31 5.514 7.364 0.197 1.00 0.00 C ATOM 483 CG LEU A 31 5.557 7.762 1.672 1.00 0.00 C ATOM 484 CD1 LEU A 31 6.534 8.907 1.889 1.00 0.00 C ATOM 485 CD2 LEU A 31 4.167 8.142 2.162 1.00 0.00 C ATOM 0 H LEU A 31 5.977 4.742 0.353 1.00 0.00 H new ATOM 0 HA LEU A 31 3.564 6.457 0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.520 7.087 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.224 8.235 -0.391 1.00 0.00 H new ATOM 0 HG LEU A 31 5.902 6.905 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.550 9.176 2.945 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.532 8.598 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.221 9.769 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.216 8.423 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.793 8.984 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.495 7.292 2.044 1.00 0.00 H new ATOM 497 N TYR A 32 3.719 6.859 -2.314 1.00 0.00 N ATOM 498 CA TYR A 32 3.564 6.772 -3.761 1.00 0.00 C ATOM 499 C TYR A 32 3.646 8.153 -4.405 1.00 0.00 C ATOM 500 O TYR A 32 2.824 9.027 -4.132 1.00 0.00 O ATOM 501 CB TYR A 32 2.230 6.111 -4.113 1.00 0.00 C ATOM 502 CG TYR A 32 2.218 4.615 -3.883 1.00 0.00 C ATOM 503 CD1 TYR A 32 2.851 3.753 -4.768 1.00 0.00 C ATOM 504 CD2 TYR A 32 1.572 4.069 -2.781 1.00 0.00 C ATOM 505 CE1 TYR A 32 2.842 2.385 -4.560 1.00 0.00 C ATOM 506 CE2 TYR A 32 1.559 2.703 -2.567 1.00 0.00 C ATOM 507 CZ TYR A 32 2.195 1.867 -3.459 1.00 0.00 C ATOM 508 OH TYR A 32 2.185 0.507 -3.250 1.00 0.00 O ATOM 0 H TYR A 32 3.190 7.614 -1.878 1.00 0.00 H new ATOM 0 HA TYR A 32 4.379 6.162 -4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.439 6.568 -3.519 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.999 6.312 -5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.358 4.156 -5.632 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.072 4.722 -2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.339 1.727 -5.257 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.053 2.293 -1.705 1.00 0.00 H new ATOM 0 HH TYR A 32 2.963 0.253 -2.710 1.00 0.00 H new ATOM 518 N HIS A 33 4.644 8.342 -5.261 1.00 0.00 N ATOM 519 CA HIS A 33 4.838 9.615 -5.945 1.00 0.00 C ATOM 520 C HIS A 33 4.013 9.680 -7.229 1.00 0.00 C ATOM 521 O HIS A 33 3.738 10.765 -7.745 1.00 0.00 O ATOM 522 CB HIS A 33 6.317 9.826 -6.268 1.00 0.00 C ATOM 523 CG HIS A 33 7.071 10.540 -5.190 1.00 0.00 C ATOM 524 ND1 HIS A 33 8.155 11.352 -5.442 1.00 0.00 N ATOM 525 CD2 HIS A 33 6.890 10.560 -3.848 1.00 0.00 C ATOM 526 CE1 HIS A 33 8.611 11.842 -4.302 1.00 0.00 C ATOM 527 NE2 HIS A 33 7.860 11.376 -3.320 1.00 0.00 N ATOM 0 H HIS A 33 5.333 7.628 -5.498 1.00 0.00 H new ATOM 0 HA HIS A 33 4.501 10.408 -5.278 1.00 0.00 H new ATOM 0 HB2 HIS A 33 6.783 8.857 -6.445 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.400 10.394 -7.195 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.545 11.545 -6.365 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.126 10.033 -3.296 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.453 12.509 -4.192 1.00 0.00 H new ATOM 536 N PHE A 34 3.622 8.517 -7.743 1.00 0.00 N ATOM 537 CA PHE A 34 2.832 8.452 -8.969 1.00 0.00 C ATOM 538 C PHE A 34 1.354 8.239 -8.652 1.00 0.00 C ATOM 539 O PHE A 34 0.987 7.974 -7.507 1.00 0.00 O ATOM 540 CB PHE A 34 3.338 7.324 -9.872 1.00 0.00 C ATOM 541 CG PHE A 34 4.834 7.173 -9.877 1.00 0.00 C ATOM 542 CD1 PHE A 34 5.652 8.278 -10.042 1.00 0.00 C ATOM 543 CD2 PHE A 34 5.417 5.928 -9.717 1.00 0.00 C ATOM 544 CE1 PHE A 34 7.028 8.142 -10.048 1.00 0.00 C ATOM 545 CE2 PHE A 34 6.792 5.786 -9.723 1.00 0.00 C ATOM 546 CZ PHE A 34 7.599 6.895 -9.888 1.00 0.00 C ATOM 0 H PHE A 34 3.838 7.609 -7.331 1.00 0.00 H new ATOM 0 HA PHE A 34 2.942 9.402 -9.492 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.889 6.385 -9.550 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.998 7.507 -10.891 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.211 9.256 -10.167 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.791 5.058 -9.586 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.656 9.011 -10.178 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.235 4.809 -9.599 1.00 0.00 H new ATOM 0 HZ PHE A 34 8.674 6.787 -9.892 1.00 0.00 H new ATOM 556 N PRO A 35 0.483 8.357 -9.668 1.00 0.00 N ATOM 557 CA PRO A 35 -0.963 8.183 -9.500 1.00 0.00 C ATOM 558 C PRO A 35 -1.338 6.752 -9.124 1.00 0.00 C ATOM 559 O PRO A 35 -1.306 5.852 -9.965 1.00 0.00 O ATOM 560 CB PRO A 35 -1.542 8.542 -10.877 1.00 0.00 C ATOM 561 CG PRO A 35 -0.443 9.250 -11.596 1.00 0.00 C ATOM 562 CD PRO A 35 0.834 8.677 -11.059 1.00 0.00 C ATOM 0 HA PRO A 35 -1.348 8.803 -8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.853 7.648 -11.418 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.422 9.178 -10.780 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.518 9.096 -12.673 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.492 10.325 -11.423 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.145 7.791 -11.613 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.654 9.392 -11.116 1.00 0.00 H new ATOM 570 N THR A 36 -1.701 6.551 -7.862 1.00 0.00 N ATOM 571 CA THR A 36 -2.092 5.233 -7.378 1.00 0.00 C ATOM 572 C THR A 36 -3.544 5.254 -6.912 1.00 0.00 C ATOM 573 O THR A 36 -3.931 6.087 -6.093 1.00 0.00 O ATOM 574 CB THR A 36 -1.159 4.788 -6.241 1.00 0.00 C ATOM 575 OG1 THR A 36 0.041 4.248 -6.764 1.00 0.00 O ATOM 576 CG2 THR A 36 -1.762 3.744 -5.321 1.00 0.00 C ATOM 0 H THR A 36 -1.732 7.286 -7.155 1.00 0.00 H new ATOM 0 HA THR A 36 -2.004 4.515 -8.193 1.00 0.00 H new ATOM 0 HB THR A 36 -0.977 5.691 -5.659 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.716 4.203 -6.055 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.042 3.483 -4.546 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.664 4.144 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.014 2.854 -5.897 1.00 0.00 H new ATOM 584 N ASN A 37 -4.346 4.339 -7.444 1.00 0.00 N ATOM 585 CA ASN A 37 -5.758 4.262 -7.086 1.00 0.00 C ATOM 586 C ASN A 37 -5.966 3.365 -5.869 1.00 0.00 C ATOM 587 O ASN A 37 -5.742 2.157 -5.930 1.00 0.00 O ATOM 588 CB ASN A 37 -6.576 3.735 -8.266 1.00 0.00 C ATOM 589 CG ASN A 37 -7.048 4.847 -9.184 1.00 0.00 C ATOM 590 OD1 ASN A 37 -8.189 5.299 -9.095 1.00 0.00 O ATOM 591 ND2 ASN A 37 -6.169 5.293 -10.072 1.00 0.00 N ATOM 0 H ASN A 37 -4.044 3.641 -8.124 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.097 5.267 -6.835 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.973 3.028 -8.836 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.440 3.187 -7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.429 6.040 -10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.233 4.889 -10.111 1.00 0.00 H new ATOM 598 N CYS A 38 -6.402 3.966 -4.765 1.00 0.00 N ATOM 599 CA CYS A 38 -6.644 3.219 -3.538 1.00 0.00 C ATOM 600 C CYS A 38 -7.723 2.159 -3.767 1.00 0.00 C ATOM 601 O CYS A 38 -8.447 2.204 -4.762 1.00 0.00 O ATOM 602 CB CYS A 38 -7.031 4.184 -2.401 1.00 0.00 C ATOM 603 SG CYS A 38 -8.600 3.799 -1.542 1.00 0.00 S ATOM 0 H CYS A 38 -6.594 4.965 -4.697 1.00 0.00 H new ATOM 0 HA CYS A 38 -5.730 2.703 -3.244 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.227 4.192 -1.665 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -7.099 5.192 -2.811 1.00 0.00 H new ATOM 608 N GLU A 39 -7.819 1.204 -2.848 1.00 0.00 N ATOM 609 CA GLU A 39 -8.804 0.131 -2.962 1.00 0.00 C ATOM 610 C GLU A 39 -10.046 0.422 -2.123 1.00 0.00 C ATOM 611 O GLU A 39 -11.163 0.100 -2.524 1.00 0.00 O ATOM 612 CB GLU A 39 -8.183 -1.201 -2.534 1.00 0.00 C ATOM 613 CG GLU A 39 -7.853 -2.120 -3.698 1.00 0.00 C ATOM 614 CD GLU A 39 -6.757 -1.564 -4.587 1.00 0.00 C ATOM 615 OE1 GLU A 39 -5.996 -0.694 -4.116 1.00 0.00 O ATOM 616 OE2 GLU A 39 -6.662 -1.999 -5.754 1.00 0.00 O ATOM 0 H GLU A 39 -7.229 1.150 -2.018 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.111 0.068 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.272 -1.003 -1.969 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.871 -1.713 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.545 -3.092 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.751 -2.283 -4.294 1.00 0.00 H new ATOM 623 N ALA A 40 -9.844 1.024 -0.957 1.00 0.00 N ATOM 624 CA ALA A 40 -10.953 1.345 -0.063 1.00 0.00 C ATOM 625 C ALA A 40 -11.989 2.235 -0.752 1.00 0.00 C ATOM 626 O ALA A 40 -12.982 1.742 -1.287 1.00 0.00 O ATOM 627 CB ALA A 40 -10.431 2.006 1.207 1.00 0.00 C ATOM 0 H ALA A 40 -8.926 1.300 -0.608 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.451 0.413 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -11.267 2.240 1.865 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.748 1.327 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.904 2.925 0.949 1.00 0.00 H new ATOM 633 N CYS A 41 -11.756 3.545 -0.732 1.00 0.00 N ATOM 634 CA CYS A 41 -12.675 4.493 -1.352 1.00 0.00 C ATOM 635 C CYS A 41 -12.420 4.607 -2.851 1.00 0.00 C ATOM 636 O CYS A 41 -11.639 3.843 -3.419 1.00 0.00 O ATOM 637 CB CYS A 41 -12.547 5.871 -0.690 1.00 0.00 C ATOM 638 SG CYS A 41 -11.012 6.769 -1.099 1.00 0.00 S ATOM 0 H CYS A 41 -10.940 3.973 -0.294 1.00 0.00 H new ATOM 0 HA CYS A 41 -13.689 4.121 -1.206 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -13.400 6.482 -0.985 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -12.603 5.747 0.391 1.00 0.00 H new ATOM 643 N MET A 42 -13.087 5.563 -3.488 1.00 0.00 N ATOM 644 CA MET A 42 -12.937 5.780 -4.922 1.00 0.00 C ATOM 645 C MET A 42 -11.882 6.843 -5.208 1.00 0.00 C ATOM 646 O MET A 42 -11.257 6.841 -6.268 1.00 0.00 O ATOM 647 CB MET A 42 -14.276 6.194 -5.538 1.00 0.00 C ATOM 648 CG MET A 42 -15.387 5.181 -5.316 1.00 0.00 C ATOM 649 SD MET A 42 -16.985 5.960 -5.012 1.00 0.00 S ATOM 650 CE MET A 42 -16.896 6.238 -3.245 1.00 0.00 C ATOM 0 H MET A 42 -13.739 6.202 -3.032 1.00 0.00 H new ATOM 0 HA MET A 42 -12.610 4.843 -5.372 1.00 0.00 H new ATOM 0 HB2 MET A 42 -14.580 7.152 -5.116 1.00 0.00 H new ATOM 0 HB3 MET A 42 -14.142 6.345 -6.609 1.00 0.00 H new ATOM 0 HG2 MET A 42 -15.463 4.533 -6.189 1.00 0.00 H new ATOM 0 HG3 MET A 42 -15.130 4.545 -4.469 1.00 0.00 H new ATOM 0 HE1 MET A 42 -17.815 6.716 -2.905 1.00 0.00 H new ATOM 0 HE2 MET A 42 -16.772 5.284 -2.732 1.00 0.00 H new ATOM 0 HE3 MET A 42 -16.047 6.884 -3.021 1.00 0.00 H new ATOM 660 N LYS A 43 -11.688 7.753 -4.256 1.00 0.00 N ATOM 661 CA LYS A 43 -10.708 8.824 -4.406 1.00 0.00 C ATOM 662 C LYS A 43 -9.328 8.257 -4.741 1.00 0.00 C ATOM 663 O LYS A 43 -9.008 7.124 -4.381 1.00 0.00 O ATOM 664 CB LYS A 43 -10.635 9.660 -3.126 1.00 0.00 C ATOM 665 CG LYS A 43 -11.251 11.042 -3.268 1.00 0.00 C ATOM 666 CD LYS A 43 -12.761 10.967 -3.421 1.00 0.00 C ATOM 667 CE LYS A 43 -13.300 12.144 -4.220 1.00 0.00 C ATOM 668 NZ LYS A 43 -14.587 12.649 -3.668 1.00 0.00 N ATOM 0 H LYS A 43 -12.197 7.769 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.027 9.463 -5.230 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.143 9.125 -2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.591 9.765 -2.829 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.003 11.644 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -10.821 11.546 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.032 10.035 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.227 10.951 -2.436 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.565 12.949 -4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.444 11.843 -5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.920 13.450 -4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.296 11.889 -3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -14.445 12.961 -2.686 1.00 0.00 H new ATOM 682 N PRO A 44 -8.491 9.043 -5.440 1.00 0.00 N ATOM 683 CA PRO A 44 -7.142 8.614 -5.824 1.00 0.00 C ATOM 684 C PRO A 44 -6.201 8.519 -4.628 1.00 0.00 C ATOM 685 O PRO A 44 -6.587 8.807 -3.495 1.00 0.00 O ATOM 686 CB PRO A 44 -6.680 9.712 -6.784 1.00 0.00 C ATOM 687 CG PRO A 44 -7.460 10.916 -6.386 1.00 0.00 C ATOM 688 CD PRO A 44 -8.793 10.407 -5.911 1.00 0.00 C ATOM 0 HA PRO A 44 -7.141 7.617 -6.264 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.608 9.888 -6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.875 9.439 -7.821 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.950 11.469 -5.597 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.580 11.599 -7.227 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.198 11.027 -5.112 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.530 10.401 -6.714 1.00 0.00 H new ATOM 696 N LEU A 45 -4.963 8.113 -4.891 1.00 0.00 N ATOM 697 CA LEU A 45 -3.962 7.978 -3.837 1.00 0.00 C ATOM 698 C LEU A 45 -2.565 8.282 -4.373 1.00 0.00 C ATOM 699 O LEU A 45 -1.955 7.448 -5.041 1.00 0.00 O ATOM 700 CB LEU A 45 -3.999 6.566 -3.249 1.00 0.00 C ATOM 701 CG LEU A 45 -3.300 6.412 -1.898 1.00 0.00 C ATOM 702 CD1 LEU A 45 -3.924 5.280 -1.099 1.00 0.00 C ATOM 703 CD2 LEU A 45 -1.812 6.167 -2.090 1.00 0.00 C ATOM 0 H LEU A 45 -4.628 7.872 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.196 8.697 -3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.040 6.261 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.539 5.880 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.428 7.340 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.413 5.186 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.979 5.494 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.828 4.347 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.332 6.060 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.665 5.255 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.370 7.010 -2.622 1.00 0.00 H new ATOM 715 N TRP A 46 -2.064 9.480 -4.077 1.00 0.00 N ATOM 716 CA TRP A 46 -0.735 9.888 -4.529 1.00 0.00 C ATOM 717 C TRP A 46 -0.431 11.322 -4.109 1.00 0.00 C ATOM 718 O TRP A 46 -1.256 11.991 -3.488 1.00 0.00 O ATOM 719 CB TRP A 46 -0.620 9.764 -6.050 1.00 0.00 C ATOM 720 CG TRP A 46 -1.614 10.604 -6.794 1.00 0.00 C ATOM 721 CD1 TRP A 46 -2.964 10.639 -6.602 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.334 11.531 -7.849 1.00 0.00 C ATOM 723 NE1 TRP A 46 -3.542 11.531 -7.473 1.00 0.00 N ATOM 724 CE2 TRP A 46 -2.561 12.091 -8.249 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.164 11.941 -8.495 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -2.650 13.040 -9.265 1.00 0.00 C ATOM 727 CZ3 TRP A 46 -0.254 12.882 -9.502 1.00 0.00 C ATOM 728 CH2 TRP A 46 -1.490 13.423 -9.879 1.00 0.00 C ATOM 0 H TRP A 46 -2.557 10.184 -3.527 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.009 9.224 -4.061 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.387 10.050 -6.355 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.754 8.720 -6.333 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -3.500 10.051 -5.872 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.538 11.742 -7.532 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.793 11.529 -8.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.602 13.458 -9.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 0.644 13.206 -10.007 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.527 14.157 -10.670 1.00 0.00 H new ATOM 739 N HIS A 47 0.766 11.788 -4.460 1.00 0.00 N ATOM 740 CA HIS A 47 1.193 13.144 -4.129 1.00 0.00 C ATOM 741 C HIS A 47 2.617 13.390 -4.616 1.00 0.00 C ATOM 742 O HIS A 47 3.486 12.528 -4.488 1.00 0.00 O ATOM 743 CB HIS A 47 1.104 13.381 -2.618 1.00 0.00 C ATOM 744 CG HIS A 47 0.302 14.592 -2.251 1.00 0.00 C ATOM 745 ND1 HIS A 47 -0.438 14.681 -1.090 1.00 0.00 N ATOM 746 CD2 HIS A 47 0.126 15.767 -2.900 1.00 0.00 C ATOM 747 CE1 HIS A 47 -1.035 15.858 -1.041 1.00 0.00 C ATOM 748 NE2 HIS A 47 -0.709 16.536 -2.126 1.00 0.00 N ATOM 0 H HIS A 47 1.458 11.244 -4.975 1.00 0.00 H new ATOM 0 HA HIS A 47 0.526 13.845 -4.632 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.661 12.504 -2.146 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.111 13.485 -2.214 1.00 0.00 H new ATOM 0 HD2 HIS A 47 0.560 16.047 -3.848 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.680 16.207 -0.248 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -1.026 17.479 -2.353 1.00 0.00 H new ATOM 757 N MET A 48 2.851 14.572 -5.178 1.00 0.00 N ATOM 758 CA MET A 48 4.173 14.926 -5.687 1.00 0.00 C ATOM 759 C MET A 48 4.985 15.669 -4.638 1.00 0.00 C ATOM 760 O MET A 48 6.171 15.397 -4.449 1.00 0.00 O ATOM 761 CB MET A 48 4.054 15.788 -6.946 1.00 0.00 C ATOM 762 CG MET A 48 3.007 16.887 -6.847 1.00 0.00 C ATOM 763 SD MET A 48 2.977 17.950 -8.302 1.00 0.00 S ATOM 764 CE MET A 48 1.805 17.076 -9.333 1.00 0.00 C ATOM 0 H MET A 48 2.145 15.299 -5.293 1.00 0.00 H new ATOM 0 HA MET A 48 4.688 13.998 -5.935 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.023 16.241 -7.156 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.812 15.145 -7.792 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.024 16.436 -6.711 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.205 17.493 -5.963 1.00 0.00 H new ATOM 0 HE1 MET A 48 1.678 17.611 -10.274 1.00 0.00 H new ATOM 0 HE2 MET A 48 2.176 16.071 -9.534 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.846 17.012 -8.820 1.00 0.00 H new ATOM 774 N PHE A 49 4.346 16.616 -3.964 1.00 0.00 N ATOM 775 CA PHE A 49 5.019 17.403 -2.943 1.00 0.00 C ATOM 776 C PHE A 49 5.264 16.576 -1.686 1.00 0.00 C ATOM 777 O PHE A 49 6.410 16.303 -1.325 1.00 0.00 O ATOM 778 CB PHE A 49 4.198 18.646 -2.600 1.00 0.00 C ATOM 779 CG PHE A 49 4.234 19.703 -3.668 1.00 0.00 C ATOM 780 CD1 PHE A 49 5.318 20.557 -3.777 1.00 0.00 C ATOM 781 CD2 PHE A 49 3.184 19.841 -4.562 1.00 0.00 C ATOM 782 CE1 PHE A 49 5.356 21.530 -4.759 1.00 0.00 C ATOM 783 CE2 PHE A 49 3.214 20.811 -5.544 1.00 0.00 C ATOM 784 CZ PHE A 49 4.303 21.657 -5.643 1.00 0.00 C ATOM 0 H PHE A 49 3.365 16.856 -4.106 1.00 0.00 H new ATOM 0 HA PHE A 49 5.984 17.714 -3.342 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.163 18.351 -2.427 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.569 19.071 -1.667 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.144 20.462 -3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.332 19.182 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.208 22.189 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 49 2.388 20.909 -6.233 1.00 0.00 H new ATOM 0 HZ PHE A 49 4.330 22.416 -6.411 1.00 0.00 H new ATOM 794 N LYS A 50 4.184 16.181 -1.022 1.00 0.00 N ATOM 795 CA LYS A 50 4.286 15.388 0.197 1.00 0.00 C ATOM 796 C LYS A 50 3.397 14.146 0.118 1.00 0.00 C ATOM 797 O LYS A 50 2.215 14.200 0.452 1.00 0.00 O ATOM 798 CB LYS A 50 3.890 16.232 1.410 1.00 0.00 C ATOM 799 CG LYS A 50 4.918 17.289 1.777 1.00 0.00 C ATOM 800 CD LYS A 50 6.083 16.690 2.549 1.00 0.00 C ATOM 801 CE LYS A 50 6.863 17.757 3.298 1.00 0.00 C ATOM 802 NZ LYS A 50 6.243 18.081 4.613 1.00 0.00 N ATOM 0 H LYS A 50 3.229 16.397 -1.307 1.00 0.00 H new ATOM 0 HA LYS A 50 5.322 15.065 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.936 16.719 1.207 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.736 15.574 2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.289 17.768 0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.444 18.066 2.377 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.710 15.948 3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.747 16.169 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.886 17.416 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.917 18.660 2.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.806 18.813 5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.275 18.431 4.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.214 17.225 5.203 1.00 0.00 H new ATOM 816 N PRO A 51 3.959 13.006 -0.322 1.00 0.00 N ATOM 817 CA PRO A 51 3.206 11.751 -0.438 1.00 0.00 C ATOM 818 C PRO A 51 2.731 11.240 0.922 1.00 0.00 C ATOM 819 O PRO A 51 3.528 11.087 1.847 1.00 0.00 O ATOM 820 CB PRO A 51 4.215 10.777 -1.055 1.00 0.00 C ATOM 821 CG PRO A 51 5.550 11.355 -0.737 1.00 0.00 C ATOM 822 CD PRO A 51 5.363 12.845 -0.741 1.00 0.00 C ATOM 0 HA PRO A 51 2.301 11.872 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.107 9.777 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.070 10.687 -2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.905 11.008 0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.293 11.052 -1.475 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.048 13.339 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.541 13.271 -1.728 1.00 0.00 H new ATOM 830 N PRO A 52 1.421 10.968 1.062 1.00 0.00 N ATOM 831 CA PRO A 52 0.850 10.476 2.316 1.00 0.00 C ATOM 832 C PRO A 52 1.184 9.009 2.570 1.00 0.00 C ATOM 833 O PRO A 52 1.451 8.254 1.635 1.00 0.00 O ATOM 834 CB PRO A 52 -0.654 10.653 2.110 1.00 0.00 C ATOM 835 CG PRO A 52 -0.845 10.547 0.637 1.00 0.00 C ATOM 836 CD PRO A 52 0.397 11.122 0.011 1.00 0.00 C ATOM 0 HA PRO A 52 1.243 11.010 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.220 9.886 2.640 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.995 11.618 2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.988 9.509 0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.731 11.096 0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.672 10.587 -0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.260 12.168 -0.264 1.00 0.00 H new ATOM 844 N PRO A 53 1.173 8.583 3.845 1.00 0.00 N ATOM 845 CA PRO A 53 1.477 7.197 4.216 1.00 0.00 C ATOM 846 C PRO A 53 0.424 6.221 3.703 1.00 0.00 C ATOM 847 O PRO A 53 -0.608 6.018 4.339 1.00 0.00 O ATOM 848 CB PRO A 53 1.477 7.225 5.747 1.00 0.00 C ATOM 849 CG PRO A 53 0.643 8.405 6.109 1.00 0.00 C ATOM 850 CD PRO A 53 0.865 9.415 5.021 1.00 0.00 C ATOM 0 HA PRO A 53 2.419 6.858 3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.061 6.306 6.159 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.489 7.321 6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.410 8.132 6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 53 0.934 8.806 7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.019 10.031 4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.685 10.092 5.261 1.00 0.00 H new ATOM 858 N ALA A 54 0.692 5.621 2.547 1.00 0.00 N ATOM 859 CA ALA A 54 -0.232 4.667 1.948 1.00 0.00 C ATOM 860 C ALA A 54 0.073 3.249 2.413 1.00 0.00 C ATOM 861 O ALA A 54 1.179 2.958 2.867 1.00 0.00 O ATOM 862 CB ALA A 54 -0.169 4.754 0.433 1.00 0.00 C ATOM 0 H ALA A 54 1.543 5.780 2.007 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.242 4.919 2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.864 4.036 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.441 5.761 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.843 4.528 0.097 1.00 0.00 H new ATOM 868 N LEU A 55 -0.915 2.367 2.298 1.00 0.00 N ATOM 869 CA LEU A 55 -0.746 0.979 2.711 1.00 0.00 C ATOM 870 C LEU A 55 -0.945 0.030 1.534 1.00 0.00 C ATOM 871 O LEU A 55 -2.054 -0.116 1.023 1.00 0.00 O ATOM 872 CB LEU A 55 -1.722 0.637 3.836 1.00 0.00 C ATOM 873 CG LEU A 55 -1.741 1.626 5.002 1.00 0.00 C ATOM 874 CD1 LEU A 55 -2.662 1.131 6.104 1.00 0.00 C ATOM 875 CD2 LEU A 55 -0.331 1.840 5.538 1.00 0.00 C ATOM 0 H LEU A 55 -1.838 2.588 1.924 1.00 0.00 H new ATOM 0 HA LEU A 55 0.273 0.857 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.726 0.573 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.475 -0.352 4.223 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.122 2.581 4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.663 1.847 6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.674 1.026 5.713 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.310 0.165 6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.360 2.546 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.075 0.890 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.303 2.237 4.745 1.00 0.00 H new ATOM 887 N GLU A 56 0.139 -0.613 1.112 1.00 0.00 N ATOM 888 CA GLU A 56 0.092 -1.549 -0.007 1.00 0.00 C ATOM 889 C GLU A 56 0.032 -2.991 0.489 1.00 0.00 C ATOM 890 O GLU A 56 0.759 -3.370 1.404 1.00 0.00 O ATOM 891 CB GLU A 56 1.316 -1.362 -0.905 1.00 0.00 C ATOM 892 CG GLU A 56 1.206 -2.082 -2.240 1.00 0.00 C ATOM 893 CD GLU A 56 2.491 -2.785 -2.631 1.00 0.00 C ATOM 894 OE1 GLU A 56 3.577 -2.214 -2.394 1.00 0.00 O ATOM 895 OE2 GLU A 56 2.413 -3.908 -3.172 1.00 0.00 O ATOM 0 H GLU A 56 1.063 -0.503 1.529 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.811 -1.342 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.464 -0.297 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.201 -1.722 -0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.398 -2.812 -2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.939 -1.364 -3.015 1.00 0.00 H new ATOM 902 N CYS A 57 -0.834 -3.793 -0.122 1.00 0.00 N ATOM 903 CA CYS A 57 -0.975 -5.190 0.260 1.00 0.00 C ATOM 904 C CYS A 57 0.160 -6.022 -0.323 1.00 0.00 C ATOM 905 O CYS A 57 0.488 -5.904 -1.503 1.00 0.00 O ATOM 906 CB CYS A 57 -2.327 -5.738 -0.208 1.00 0.00 C ATOM 907 SG CYS A 57 -2.568 -7.514 0.123 1.00 0.00 S ATOM 0 H CYS A 57 -1.447 -3.498 -0.882 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.929 -5.254 1.347 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -3.123 -5.177 0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.426 -5.563 -1.279 1.00 0.00 H new ATOM 912 N ARG A 58 0.758 -6.865 0.513 1.00 0.00 N ATOM 913 CA ARG A 58 1.857 -7.718 0.080 1.00 0.00 C ATOM 914 C ARG A 58 1.345 -9.086 -0.367 1.00 0.00 C ATOM 915 O ARG A 58 2.044 -10.092 -0.250 1.00 0.00 O ATOM 916 CB ARG A 58 2.877 -7.879 1.210 1.00 0.00 C ATOM 917 CG ARG A 58 2.337 -8.627 2.419 1.00 0.00 C ATOM 918 CD ARG A 58 3.395 -8.774 3.501 1.00 0.00 C ATOM 919 NE ARG A 58 4.024 -10.094 3.477 1.00 0.00 N ATOM 920 CZ ARG A 58 5.327 -10.301 3.289 1.00 0.00 C ATOM 921 NH1 ARG A 58 6.157 -9.281 3.104 1.00 0.00 N ATOM 922 NH2 ARG A 58 5.803 -11.538 3.286 1.00 0.00 N ATOM 0 H ARG A 58 0.499 -6.975 1.494 1.00 0.00 H new ATOM 0 HA ARG A 58 2.342 -7.242 -0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.750 -8.408 0.827 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.215 -6.892 1.526 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.475 -8.096 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.989 -9.613 2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.158 -8.007 3.369 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.940 -8.607 4.477 1.00 0.00 H new ATOM 0 HE ARG A 58 3.426 -10.909 3.613 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.799 -8.326 3.105 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.152 -9.453 2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.173 -12.327 3.427 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.800 -11.701 3.142 1.00 0.00 H new ATOM 936 N ARG A 59 0.117 -9.113 -0.880 1.00 0.00 N ATOM 937 CA ARG A 59 -0.496 -10.352 -1.347 1.00 0.00 C ATOM 938 C ARG A 59 -1.174 -10.150 -2.704 1.00 0.00 C ATOM 939 O ARG A 59 -0.649 -10.569 -3.736 1.00 0.00 O ATOM 940 CB ARG A 59 -1.510 -10.859 -0.321 1.00 0.00 C ATOM 941 CG ARG A 59 -0.926 -11.050 1.072 1.00 0.00 C ATOM 942 CD ARG A 59 -1.733 -10.312 2.130 1.00 0.00 C ATOM 943 NE ARG A 59 -2.159 -11.199 3.210 1.00 0.00 N ATOM 944 CZ ARG A 59 -1.330 -11.725 4.108 1.00 0.00 C ATOM 945 NH1 ARG A 59 -0.031 -11.459 4.059 1.00 0.00 N ATOM 946 NH2 ARG A 59 -1.802 -12.521 5.060 1.00 0.00 N ATOM 0 H ARG A 59 -0.474 -8.288 -0.983 1.00 0.00 H new ATOM 0 HA ARG A 59 0.291 -11.097 -1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.340 -10.154 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.920 -11.808 -0.667 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.899 -12.113 1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.104 -10.693 1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.134 -9.500 2.542 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.609 -9.858 1.667 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.150 -11.429 3.280 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.337 -10.848 3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.599 -11.865 4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.800 -12.729 5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.167 -12.925 5.749 1.00 0.00 H new ATOM 960 N CYS A 60 -2.342 -9.509 -2.699 1.00 0.00 N ATOM 961 CA CYS A 60 -3.087 -9.257 -3.931 1.00 0.00 C ATOM 962 C CYS A 60 -2.663 -7.939 -4.582 1.00 0.00 C ATOM 963 O CYS A 60 -3.126 -7.605 -5.673 1.00 0.00 O ATOM 964 CB CYS A 60 -4.594 -9.241 -3.653 1.00 0.00 C ATOM 965 SG CYS A 60 -5.172 -7.784 -2.723 1.00 0.00 S ATOM 0 H CYS A 60 -2.793 -9.155 -1.855 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.859 -10.067 -4.624 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.127 -9.286 -4.603 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.858 -10.140 -3.097 1.00 0.00 H new ATOM 970 N HIS A 61 -1.789 -7.191 -3.908 1.00 0.00 N ATOM 971 CA HIS A 61 -1.310 -5.911 -4.422 1.00 0.00 C ATOM 972 C HIS A 61 -2.432 -4.879 -4.471 1.00 0.00 C ATOM 973 O HIS A 61 -3.158 -4.775 -5.461 1.00 0.00 O ATOM 974 CB HIS A 61 -0.694 -6.084 -5.813 1.00 0.00 C ATOM 975 CG HIS A 61 0.670 -6.700 -5.790 1.00 0.00 C ATOM 976 ND1 HIS A 61 0.916 -7.965 -5.296 1.00 0.00 N ATOM 977 CD2 HIS A 61 1.868 -6.219 -6.202 1.00 0.00 C ATOM 978 CE1 HIS A 61 2.206 -8.234 -5.405 1.00 0.00 C ATOM 979 NE2 HIS A 61 2.804 -7.192 -5.954 1.00 0.00 N ATOM 0 H HIS A 61 -1.398 -7.452 -3.003 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.542 -5.548 -3.739 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.354 -6.705 -6.419 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.636 -5.110 -6.300 1.00 0.00 H new ATOM 0 HD1 HIS A 61 0.213 -8.594 -4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.052 -5.251 -6.643 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.689 -9.150 -5.097 1.00 0.00 H new ATOM 988 N ILE A 62 -2.560 -4.108 -3.395 1.00 0.00 N ATOM 989 CA ILE A 62 -3.580 -3.070 -3.302 1.00 0.00 C ATOM 990 C ILE A 62 -3.134 -1.973 -2.347 1.00 0.00 C ATOM 991 O ILE A 62 -2.659 -2.253 -1.247 1.00 0.00 O ATOM 992 CB ILE A 62 -4.931 -3.634 -2.823 1.00 0.00 C ATOM 993 CG1 ILE A 62 -4.778 -4.324 -1.467 1.00 0.00 C ATOM 994 CG2 ILE A 62 -5.489 -4.600 -3.850 1.00 0.00 C ATOM 995 CD1 ILE A 62 -5.936 -4.067 -0.527 1.00 0.00 C ATOM 0 H ILE A 62 -1.965 -4.184 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.712 -2.661 -4.304 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.630 -2.806 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.678 -5.398 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.856 -3.984 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.444 -4.992 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.635 -4.080 -4.797 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.789 -5.424 -3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.762 -4.586 0.415 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.023 -2.997 -0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.859 -4.433 -0.978 1.00 0.00 H new ATOM 1007 N LYS A 63 -3.271 -0.723 -2.768 1.00 0.00 N ATOM 1008 CA LYS A 63 -2.860 0.394 -1.931 1.00 0.00 C ATOM 1009 C LYS A 63 -4.051 1.076 -1.273 1.00 0.00 C ATOM 1010 O LYS A 63 -5.140 1.144 -1.843 1.00 0.00 O ATOM 1011 CB LYS A 63 -2.066 1.415 -2.743 1.00 0.00 C ATOM 1012 CG LYS A 63 -0.981 0.795 -3.609 1.00 0.00 C ATOM 1013 CD LYS A 63 -1.550 0.234 -4.901 1.00 0.00 C ATOM 1014 CE LYS A 63 -0.483 0.120 -5.976 1.00 0.00 C ATOM 1015 NZ LYS A 63 -1.059 -0.255 -7.296 1.00 0.00 N ATOM 0 H LYS A 63 -3.659 -0.459 -3.674 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.225 -0.013 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.752 1.973 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.609 2.132 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.225 1.546 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.482 -0.000 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.984 -0.748 -4.712 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.356 0.877 -5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.043 1.070 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.254 -0.625 -5.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.297 -0.322 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.539 -1.174 -7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.744 0.469 -7.594 1.00 0.00 H new ATOM 1029 N CYS A 64 -3.828 1.585 -0.067 1.00 0.00 N ATOM 1030 CA CYS A 64 -4.867 2.276 0.684 1.00 0.00 C ATOM 1031 C CYS A 64 -4.248 3.192 1.735 1.00 0.00 C ATOM 1032 O CYS A 64 -3.487 2.739 2.590 1.00 0.00 O ATOM 1033 CB CYS A 64 -5.803 1.267 1.351 1.00 0.00 C ATOM 1034 SG CYS A 64 -4.955 -0.117 2.149 1.00 0.00 S ATOM 0 H CYS A 64 -2.930 1.531 0.414 1.00 0.00 H new ATOM 0 HA CYS A 64 -5.445 2.885 -0.011 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -6.407 1.786 2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -6.489 0.874 0.601 1.00 0.00 H new ATOM 0 HG CYS A 64 -3.742 -0.205 1.690 1.00 0.00 H new ATOM 1040 N HIS A 65 -4.567 4.484 1.659 1.00 0.00 N ATOM 1041 CA HIS A 65 -4.027 5.468 2.606 1.00 0.00 C ATOM 1042 C HIS A 65 -4.053 4.934 4.025 1.00 0.00 C ATOM 1043 O HIS A 65 -5.051 4.364 4.468 1.00 0.00 O ATOM 1044 CB HIS A 65 -4.799 6.803 2.584 1.00 0.00 C ATOM 1045 CG HIS A 65 -5.808 6.933 1.490 1.00 0.00 C ATOM 1046 ND1 HIS A 65 -5.810 7.910 0.516 1.00 0.00 N ATOM 1047 CD2 HIS A 65 -6.891 6.179 1.263 1.00 0.00 C ATOM 1048 CE1 HIS A 65 -6.895 7.709 -0.257 1.00 0.00 C ATOM 1049 NE2 HIS A 65 -7.582 6.663 0.166 1.00 0.00 N ATOM 0 H HIS A 65 -5.194 4.876 0.956 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.001 5.649 2.285 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.305 6.928 3.541 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -4.081 7.619 2.494 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.117 8.649 0.402 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -7.182 5.320 1.849 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.166 8.319 -1.106 1.00 0.00 H new ATOM 1057 N LYS A 66 -2.968 5.157 4.745 1.00 0.00 N ATOM 1058 CA LYS A 66 -2.882 4.737 6.131 1.00 0.00 C ATOM 1059 C LYS A 66 -4.105 5.249 6.884 1.00 0.00 C ATOM 1060 O LYS A 66 -4.576 4.627 7.835 1.00 0.00 O ATOM 1061 CB LYS A 66 -1.596 5.263 6.771 1.00 0.00 C ATOM 1062 CG LYS A 66 -1.486 4.959 8.257 1.00 0.00 C ATOM 1063 CD LYS A 66 -0.244 4.137 8.571 1.00 0.00 C ATOM 1064 CE LYS A 66 -0.554 2.999 9.531 1.00 0.00 C ATOM 1065 NZ LYS A 66 0.540 2.788 10.520 1.00 0.00 N ATOM 0 H LYS A 66 -2.134 5.627 4.392 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.859 3.648 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.740 4.828 6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.542 6.342 6.625 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.456 5.893 8.819 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.374 4.418 8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.168 3.732 7.647 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.520 4.782 9.005 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -1.483 3.213 10.059 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.713 2.081 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.288 2.004 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.422 2.558 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.675 3.655 11.078 1.00 0.00 H new ATOM 1079 N ASP A 67 -4.612 6.400 6.436 1.00 0.00 N ATOM 1080 CA ASP A 67 -5.782 7.020 7.045 1.00 0.00 C ATOM 1081 C ASP A 67 -6.939 6.032 7.176 1.00 0.00 C ATOM 1082 O ASP A 67 -7.573 5.953 8.228 1.00 0.00 O ATOM 1083 CB ASP A 67 -6.224 8.233 6.223 1.00 0.00 C ATOM 1084 CG ASP A 67 -5.629 9.529 6.739 1.00 0.00 C ATOM 1085 OD1 ASP A 67 -4.508 9.878 6.315 1.00 0.00 O ATOM 1086 OD2 ASP A 67 -6.285 10.194 7.569 1.00 0.00 O ATOM 0 H ASP A 67 -4.225 6.921 5.649 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.501 7.343 8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.930 8.090 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.312 8.303 6.240 1.00 0.00 H new ATOM 1091 N HIS A 68 -7.222 5.279 6.109 1.00 0.00 N ATOM 1092 CA HIS A 68 -8.325 4.308 6.155 1.00 0.00 C ATOM 1093 C HIS A 68 -8.161 3.357 7.337 1.00 0.00 C ATOM 1094 O HIS A 68 -9.133 3.013 8.011 1.00 0.00 O ATOM 1095 CB HIS A 68 -8.422 3.495 4.858 1.00 0.00 C ATOM 1096 CG HIS A 68 -9.013 4.258 3.714 1.00 0.00 C ATOM 1097 ND1 HIS A 68 -10.003 5.208 3.848 1.00 0.00 N ATOM 1098 CD2 HIS A 68 -8.676 4.251 2.404 1.00 0.00 C ATOM 1099 CE1 HIS A 68 -10.226 5.743 2.637 1.00 0.00 C ATOM 1100 NE2 HIS A 68 -9.442 5.197 1.726 1.00 0.00 N ATOM 0 H HIS A 68 -6.719 5.318 5.223 1.00 0.00 H new ATOM 0 HA HIS A 68 -9.246 4.879 6.274 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.426 3.152 4.579 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.025 2.606 5.041 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -10.481 5.460 4.713 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.930 3.612 1.954 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.951 6.518 2.435 1.00 0.00 H new ATOM 1108 N MET A 69 -6.924 2.936 7.583 1.00 0.00 N ATOM 1109 CA MET A 69 -6.630 2.027 8.685 1.00 0.00 C ATOM 1110 C MET A 69 -6.784 2.731 10.028 1.00 0.00 C ATOM 1111 O MET A 69 -7.498 2.255 10.911 1.00 0.00 O ATOM 1112 CB MET A 69 -5.210 1.471 8.545 1.00 0.00 C ATOM 1113 CG MET A 69 -4.802 0.548 9.682 1.00 0.00 C ATOM 1114 SD MET A 69 -5.891 -0.882 9.839 1.00 0.00 S ATOM 1115 CE MET A 69 -5.743 -1.602 8.207 1.00 0.00 C ATOM 0 H MET A 69 -6.109 3.210 7.034 1.00 0.00 H new ATOM 0 HA MET A 69 -7.343 1.203 8.646 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.133 0.929 7.603 1.00 0.00 H new ATOM 0 HB3 MET A 69 -4.507 2.302 8.493 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.780 0.206 9.518 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.805 1.107 10.618 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.710 -1.566 7.704 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.011 -1.040 7.627 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.418 -2.639 8.295 1.00 0.00 H new ATOM 1125 N ASP A 70 -6.107 3.865 10.178 1.00 0.00 N ATOM 1126 CA ASP A 70 -6.166 4.635 11.416 1.00 0.00 C ATOM 1127 C ASP A 70 -7.599 5.055 11.732 1.00 0.00 C ATOM 1128 O ASP A 70 -7.973 5.189 12.896 1.00 0.00 O ATOM 1129 CB ASP A 70 -5.269 5.869 11.315 1.00 0.00 C ATOM 1130 CG ASP A 70 -4.466 6.106 12.579 1.00 0.00 C ATOM 1131 OD1 ASP A 70 -4.950 5.730 13.669 1.00 0.00 O ATOM 1132 OD2 ASP A 70 -3.356 6.669 12.481 1.00 0.00 O ATOM 0 H ASP A 70 -5.511 4.272 9.457 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.809 4.000 12.227 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.588 5.752 10.472 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.883 6.745 11.109 1.00 0.00 H new ATOM 1137 N LYS A 71 -8.394 5.261 10.688 1.00 0.00 N ATOM 1138 CA LYS A 71 -9.784 5.668 10.854 1.00 0.00 C ATOM 1139 C LYS A 71 -10.699 4.456 11.004 1.00 0.00 C ATOM 1140 O LYS A 71 -11.803 4.564 11.538 1.00 0.00 O ATOM 1141 CB LYS A 71 -10.235 6.516 9.663 1.00 0.00 C ATOM 1142 CG LYS A 71 -9.371 7.747 9.432 1.00 0.00 C ATOM 1143 CD LYS A 71 -10.120 9.026 9.771 1.00 0.00 C ATOM 1144 CE LYS A 71 -9.179 10.218 9.853 1.00 0.00 C ATOM 1145 NZ LYS A 71 -9.814 11.463 9.341 1.00 0.00 N ATOM 0 H LYS A 71 -8.099 5.153 9.717 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.852 6.263 11.765 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.224 5.900 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.267 6.830 9.821 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.470 7.680 10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.050 7.777 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.882 9.214 9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.638 8.904 10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.871 10.367 10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.277 10.008 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.140 12.252 9.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.085 11.330 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.661 11.678 9.905 1.00 0.00 H new ATOM 1159 N LYS A 72 -10.237 3.305 10.527 1.00 0.00 N ATOM 1160 CA LYS A 72 -11.019 2.076 10.609 1.00 0.00 C ATOM 1161 C LYS A 72 -12.322 2.215 9.824 1.00 0.00 C ATOM 1162 O LYS A 72 -13.399 2.355 10.405 1.00 0.00 O ATOM 1163 CB LYS A 72 -11.313 1.730 12.072 1.00 0.00 C ATOM 1164 CG LYS A 72 -10.787 0.366 12.490 1.00 0.00 C ATOM 1165 CD LYS A 72 -11.474 -0.754 11.724 1.00 0.00 C ATOM 1166 CE LYS A 72 -12.804 -1.129 12.359 1.00 0.00 C ATOM 1167 NZ LYS A 72 -13.488 -2.223 11.615 1.00 0.00 N ATOM 0 H LYS A 72 -9.326 3.197 10.080 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.437 1.267 10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.872 2.493 12.713 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.390 1.761 12.235 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -9.712 0.321 12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.944 0.226 13.560 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.637 -0.444 10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.824 -1.628 11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.638 -1.440 13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.451 -0.252 12.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.390 -2.448 12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.670 -1.917 10.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.882 -3.068 11.607 1.00 0.00 H new ATOM 1181 N GLU A 73 -12.212 2.180 8.501 1.00 0.00 N ATOM 1182 CA GLU A 73 -13.378 2.305 7.633 1.00 0.00 C ATOM 1183 C GLU A 73 -13.808 0.945 7.096 1.00 0.00 C ATOM 1184 O GLU A 73 -12.999 0.199 6.545 1.00 0.00 O ATOM 1185 CB GLU A 73 -13.072 3.252 6.471 1.00 0.00 C ATOM 1186 CG GLU A 73 -12.626 4.635 6.916 1.00 0.00 C ATOM 1187 CD GLU A 73 -12.935 5.706 5.888 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.131 5.969 5.646 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -11.980 6.281 5.324 1.00 0.00 O ATOM 0 H GLU A 73 -11.328 2.066 8.006 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.197 2.715 8.224 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -12.293 2.811 5.849 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.961 3.349 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.117 4.886 7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -11.554 4.622 7.110 1.00 0.00 H new ATOM 1196 N GLU A 74 -15.091 0.631 7.255 1.00 0.00 N ATOM 1197 CA GLU A 74 -15.633 -0.638 6.782 1.00 0.00 C ATOM 1198 C GLU A 74 -15.375 -0.820 5.289 1.00 0.00 C ATOM 1199 O GLU A 74 -15.359 -1.942 4.782 1.00 0.00 O ATOM 1200 CB GLU A 74 -17.136 -0.709 7.063 1.00 0.00 C ATOM 1201 CG GLU A 74 -17.951 0.304 6.277 1.00 0.00 C ATOM 1202 CD GLU A 74 -19.266 0.644 6.951 1.00 0.00 C ATOM 1203 OE1 GLU A 74 -19.993 -0.292 7.341 1.00 0.00 O ATOM 1204 OE2 GLU A 74 -19.568 1.849 7.089 1.00 0.00 O ATOM 0 H GLU A 74 -15.774 1.238 7.708 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.129 -1.442 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.494 -1.711 6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -17.306 -0.551 8.128 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.366 1.215 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.149 -0.090 5.280 1.00 0.00 H new ATOM 1211 N ILE A 75 -15.173 0.294 4.589 1.00 0.00 N ATOM 1212 CA ILE A 75 -14.914 0.270 3.153 1.00 0.00 C ATOM 1213 C ILE A 75 -13.815 -0.731 2.801 1.00 0.00 C ATOM 1214 O ILE A 75 -13.783 -1.268 1.694 1.00 0.00 O ATOM 1215 CB ILE A 75 -14.521 1.668 2.641 1.00 0.00 C ATOM 1216 CG1 ILE A 75 -13.186 2.106 3.252 1.00 0.00 C ATOM 1217 CG2 ILE A 75 -15.617 2.672 2.971 1.00 0.00 C ATOM 1218 CD1 ILE A 75 -12.817 3.544 2.946 1.00 0.00 C ATOM 0 H ILE A 75 -15.184 1.229 4.997 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.838 -0.042 2.665 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.403 1.625 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.231 1.974 4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.396 1.451 2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -15.330 3.658 2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.548 2.365 2.494 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -15.759 2.713 4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.860 3.781 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -12.739 3.678 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -13.586 4.209 3.339 1.00 0.00 H new ATOM 1230 N ILE A 76 -12.917 -0.979 3.751 1.00 0.00 N ATOM 1231 CA ILE A 76 -11.821 -1.917 3.542 1.00 0.00 C ATOM 1232 C ILE A 76 -12.296 -3.356 3.710 1.00 0.00 C ATOM 1233 O ILE A 76 -13.021 -3.674 4.651 1.00 0.00 O ATOM 1234 CB ILE A 76 -10.660 -1.651 4.523 1.00 0.00 C ATOM 1235 CG1 ILE A 76 -10.186 -0.200 4.404 1.00 0.00 C ATOM 1236 CG2 ILE A 76 -9.509 -2.616 4.269 1.00 0.00 C ATOM 1237 CD1 ILE A 76 -9.047 0.144 5.338 1.00 0.00 C ATOM 0 H ILE A 76 -12.928 -0.543 4.673 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.464 -1.770 2.522 1.00 0.00 H new ATOM 0 HB ILE A 76 -11.021 -1.815 5.538 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.872 -0.012 3.377 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.025 0.465 4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.701 -2.411 4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -9.856 -3.640 4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.145 -2.488 3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.764 1.187 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -9.363 -0.011 6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.192 -0.496 5.120 1.00 0.00 H new ATOM 1249 N ALA A 77 -11.879 -4.225 2.793 1.00 0.00 N ATOM 1250 CA ALA A 77 -12.262 -5.631 2.847 1.00 0.00 C ATOM 1251 C ALA A 77 -11.037 -6.532 2.958 1.00 0.00 C ATOM 1252 O ALA A 77 -9.911 -6.101 2.709 1.00 0.00 O ATOM 1253 CB ALA A 77 -13.080 -6.011 1.623 1.00 0.00 C ATOM 0 H ALA A 77 -11.278 -3.980 2.006 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.874 -5.774 3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.356 -7.064 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.982 -5.401 1.585 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.489 -5.841 0.723 1.00 0.00 H new ATOM 1259 N PRO A 78 -11.248 -7.802 3.332 1.00 0.00 N ATOM 1260 CA PRO A 78 -10.161 -8.775 3.474 1.00 0.00 C ATOM 1261 C PRO A 78 -9.470 -9.072 2.147 1.00 0.00 C ATOM 1262 O PRO A 78 -9.976 -8.722 1.081 1.00 0.00 O ATOM 1263 CB PRO A 78 -10.864 -10.030 3.998 1.00 0.00 C ATOM 1264 CG PRO A 78 -12.296 -9.865 3.620 1.00 0.00 C ATOM 1265 CD PRO A 78 -12.563 -8.390 3.645 1.00 0.00 C ATOM 0 HA PRO A 78 -9.374 -8.406 4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.441 -10.932 3.555 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -10.750 -10.123 5.078 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.489 -10.280 2.630 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -12.947 -10.391 4.318 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.316 -8.105 2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.928 -8.064 4.619 1.00 0.00 H new ATOM 1273 N CYS A 79 -8.314 -9.725 2.222 1.00 0.00 N ATOM 1274 CA CYS A 79 -7.555 -10.075 1.026 1.00 0.00 C ATOM 1275 C CYS A 79 -8.277 -11.151 0.222 1.00 0.00 C ATOM 1276 O CYS A 79 -8.943 -12.019 0.787 1.00 0.00 O ATOM 1277 CB CYS A 79 -6.153 -10.556 1.402 1.00 0.00 C ATOM 1278 SG CYS A 79 -4.942 -10.441 0.040 1.00 0.00 S ATOM 0 H CYS A 79 -7.883 -10.022 3.097 1.00 0.00 H new ATOM 0 HA CYS A 79 -7.467 -9.181 0.409 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -5.792 -9.969 2.246 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -6.212 -11.592 1.736 1.00 0.00 H new ATOM 1283 N LYS A 80 -8.146 -11.086 -1.099 1.00 0.00 N ATOM 1284 CA LYS A 80 -8.790 -12.054 -1.980 1.00 0.00 C ATOM 1285 C LYS A 80 -7.858 -13.221 -2.294 1.00 0.00 C ATOM 1286 O LYS A 80 -8.260 -14.383 -2.228 1.00 0.00 O ATOM 1287 CB LYS A 80 -9.232 -11.376 -3.278 1.00 0.00 C ATOM 1288 CG LYS A 80 -8.076 -10.857 -4.117 1.00 0.00 C ATOM 1289 CD LYS A 80 -8.549 -9.857 -5.158 1.00 0.00 C ATOM 1290 CE LYS A 80 -8.698 -10.505 -6.527 1.00 0.00 C ATOM 1291 NZ LYS A 80 -8.822 -9.492 -7.611 1.00 0.00 N ATOM 0 H LYS A 80 -7.600 -10.373 -1.583 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.666 -12.447 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.810 -12.085 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.896 -10.546 -3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -7.337 -10.387 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.580 -11.692 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.505 -9.433 -4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.839 -9.032 -5.220 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.836 -11.142 -6.723 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.577 -11.149 -6.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.922 -9.974 -8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.659 -8.900 -7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.972 -8.893 -7.626 1.00 0.00 H new ATOM 1305 N VAL A 81 -6.615 -12.906 -2.640 1.00 0.00 N ATOM 1306 CA VAL A 81 -5.630 -13.929 -2.968 1.00 0.00 C ATOM 1307 C VAL A 81 -5.379 -14.862 -1.785 1.00 0.00 C ATOM 1308 O VAL A 81 -4.926 -15.992 -1.960 1.00 0.00 O ATOM 1309 CB VAL A 81 -4.292 -13.305 -3.412 1.00 0.00 C ATOM 1310 CG1 VAL A 81 -4.498 -12.407 -4.622 1.00 0.00 C ATOM 1311 CG2 VAL A 81 -3.650 -12.532 -2.267 1.00 0.00 C ATOM 0 H VAL A 81 -6.266 -11.950 -2.701 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.044 -14.505 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.615 -14.111 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -3.543 -11.975 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.905 -12.994 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.194 -11.608 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.707 -12.100 -2.603 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.320 -11.735 -1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.463 -13.207 -1.432 1.00 0.00 H new ATOM 1321 N TYR A 82 -5.672 -14.378 -0.580 1.00 0.00 N ATOM 1322 CA TYR A 82 -5.474 -15.168 0.633 1.00 0.00 C ATOM 1323 C TYR A 82 -6.156 -16.530 0.520 1.00 0.00 C ATOM 1324 O TYR A 82 -5.701 -17.512 1.109 1.00 0.00 O ATOM 1325 CB TYR A 82 -6.015 -14.414 1.849 1.00 0.00 C ATOM 1326 CG TYR A 82 -5.791 -15.137 3.158 1.00 0.00 C ATOM 1327 CD1 TYR A 82 -6.583 -16.218 3.523 1.00 0.00 C ATOM 1328 CD2 TYR A 82 -4.786 -14.736 4.031 1.00 0.00 C ATOM 1329 CE1 TYR A 82 -6.381 -16.880 4.718 1.00 0.00 C ATOM 1330 CE2 TYR A 82 -4.578 -15.392 5.229 1.00 0.00 C ATOM 1331 CZ TYR A 82 -5.377 -16.464 5.568 1.00 0.00 C ATOM 1332 OH TYR A 82 -5.174 -17.120 6.760 1.00 0.00 O ATOM 0 H TYR A 82 -6.047 -13.443 -0.418 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.403 -15.330 0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -5.541 -13.434 1.899 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -7.083 -14.245 1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.370 -16.547 2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -4.158 -13.898 3.768 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.006 -17.719 4.986 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.794 -15.067 5.897 1.00 0.00 H new ATOM 0 HH TYR A 82 -4.428 -16.703 7.240 1.00 0.00 H new ATOM 1342 N TYR A 83 -7.247 -16.583 -0.235 1.00 0.00 N ATOM 1343 CA TYR A 83 -7.988 -17.824 -0.422 1.00 0.00 C ATOM 1344 C TYR A 83 -7.333 -18.691 -1.494 1.00 0.00 C ATOM 1345 O TYR A 83 -7.153 -19.895 -1.308 1.00 0.00 O ATOM 1346 CB TYR A 83 -9.441 -17.524 -0.802 1.00 0.00 C ATOM 1347 CG TYR A 83 -10.419 -17.749 0.328 1.00 0.00 C ATOM 1348 CD1 TYR A 83 -10.519 -18.987 0.951 1.00 0.00 C ATOM 1349 CD2 TYR A 83 -11.246 -16.725 0.771 1.00 0.00 C ATOM 1350 CE1 TYR A 83 -11.412 -19.198 1.984 1.00 0.00 C ATOM 1351 CE2 TYR A 83 -12.141 -16.927 1.803 1.00 0.00 C ATOM 1352 CZ TYR A 83 -12.221 -18.164 2.407 1.00 0.00 C ATOM 1353 OH TYR A 83 -13.113 -18.369 3.434 1.00 0.00 O ATOM 0 H TYR A 83 -7.638 -15.780 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 83 -7.975 -18.373 0.520 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.515 -16.489 -1.135 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.724 -18.151 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -9.887 -19.799 0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -11.188 -15.755 0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -11.476 -20.167 2.457 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -12.776 -16.119 2.136 1.00 0.00 H new ATOM 0 HH TYR A 83 -13.605 -17.540 3.610 1.00 0.00 H new ATOM 1363 N ASP A 84 -6.980 -18.071 -2.615 1.00 0.00 N ATOM 1364 CA ASP A 84 -6.347 -18.787 -3.716 1.00 0.00 C ATOM 1365 C ASP A 84 -5.023 -19.404 -3.274 1.00 0.00 C ATOM 1366 O ASP A 84 -4.765 -19.553 -2.079 1.00 0.00 O ATOM 1367 CB ASP A 84 -6.114 -17.845 -4.899 1.00 0.00 C ATOM 1368 CG ASP A 84 -6.128 -18.571 -6.228 1.00 0.00 C ATOM 1369 OD1 ASP A 84 -6.957 -19.491 -6.394 1.00 0.00 O ATOM 1370 OD2 ASP A 84 -5.310 -18.221 -7.105 1.00 0.00 O ATOM 0 H ASP A 84 -7.121 -17.075 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.016 -19.590 -4.026 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.883 -17.073 -4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -5.156 -17.340 -4.774 1.00 0.00 H new TER 1375 ASP A 84 HETATM 1376 ZN ZN A 601 -4.661 -8.213 -0.529 1.00 1.00 ZN HETATM 1377 ZN ZN A 602 -9.233 5.592 -0.247 1.00 1.00 ZN