USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 14 CYS SG : rot 22:sc= 0.523 USER MOD Set 1.2: A 17 CYS SG : rot 89:sc= 0.24 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 176:sc= 2.22 (180deg=0.925) USER MOD Set 2.2: A 44 THR OG1 : rot -140:sc= 1.08 USER MOD Single : A 7 MET CE :methyl 166:sc= 0 (180deg=-0.238) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= 1.19 (180deg=1.01) USER MOD Single : A 12 MET CE :methyl 168:sc= -0.0627 (180deg=-0.293) USER MOD Single : A 13 THR OG1 : rot -75:sc= 0.037 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -127:sc= 1.08 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 75:sc= 0.397 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 32 GLN : amide:sc= -0.63 X(o=-0.63,f=-0.82) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.4) USER MOD Single : A 47 TYR OH : rot 15:sc= -0.207 USER MOD Single : A 48 GLN : amide:sc= -0.789 K(o=-0.79,f=-7.1!) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 152:sc= -0.481 (180deg=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= 0.761 (180deg=0.686) USER MOD Single : A 60 GLN : amide:sc= -0.546 X(o=-0.55,f=-1) USER MOD Single : A 64 MET CE :methyl 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 ----------------------------------------------------------------- ATOM 10 N GLU A 2 2.012 1.084 14.307 1.00 0.00 N ATOM 11 CA GLU A 2 1.446 0.999 12.968 1.00 0.00 C ATOM 12 C GLU A 2 1.066 -0.452 12.626 1.00 0.00 C ATOM 13 O GLU A 2 1.388 -1.383 13.373 1.00 0.00 O ATOM 14 CB GLU A 2 2.443 1.552 11.931 1.00 0.00 C ATOM 15 CG GLU A 2 3.945 1.383 12.240 1.00 0.00 C ATOM 16 CD GLU A 2 4.359 0.076 12.885 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.558 -0.926 12.178 1.00 0.00 O ATOM 18 OE2 GLU A 2 4.514 0.124 14.131 1.00 0.00 O ATOM 0 HA GLU A 2 0.539 1.604 12.940 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.238 1.071 10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.242 2.615 11.802 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.500 1.495 11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.253 2.199 12.894 1.00 0.00 H new ATOM 25 N VAL A 3 0.386 -0.633 11.492 1.00 0.00 N ATOM 26 CA VAL A 3 0.057 -1.898 10.893 1.00 0.00 C ATOM 27 C VAL A 3 0.596 -1.903 9.460 1.00 0.00 C ATOM 28 O VAL A 3 0.569 -0.872 8.782 1.00 0.00 O ATOM 29 CB VAL A 3 -1.446 -2.139 10.984 1.00 0.00 C ATOM 30 CG1 VAL A 3 -1.915 -2.288 12.435 1.00 0.00 C ATOM 31 CG2 VAL A 3 -2.251 -1.108 10.212 1.00 0.00 C ATOM 0 H VAL A 3 0.036 0.155 10.947 1.00 0.00 H new ATOM 0 HA VAL A 3 0.524 -2.728 11.424 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.639 -3.094 10.495 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.991 -2.458 12.454 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.406 -3.134 12.897 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.682 -1.378 12.988 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.314 -1.328 10.311 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.047 -0.114 10.611 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.970 -1.141 9.159 1.00 0.00 H new ATOM 41 N VAL A 4 1.099 -3.058 9.024 1.00 0.00 N ATOM 42 CA VAL A 4 1.574 -3.329 7.679 1.00 0.00 C ATOM 43 C VAL A 4 0.469 -4.064 6.931 1.00 0.00 C ATOM 44 O VAL A 4 -0.080 -5.053 7.423 1.00 0.00 O ATOM 45 CB VAL A 4 2.887 -4.146 7.714 1.00 0.00 C ATOM 46 CG1 VAL A 4 2.920 -5.367 6.784 1.00 0.00 C ATOM 47 CG2 VAL A 4 4.073 -3.267 7.320 1.00 0.00 C ATOM 0 H VAL A 4 1.188 -3.869 9.637 1.00 0.00 H new ATOM 0 HA VAL A 4 1.804 -2.398 7.161 1.00 0.00 H new ATOM 0 HB VAL A 4 2.946 -4.503 8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.881 -5.873 6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.119 -6.054 7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.784 -5.042 5.752 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.989 -3.857 7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.922 -2.882 6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.156 -2.433 8.017 1.00 0.00 H new ATOM 57 N LEU A 5 0.191 -3.603 5.717 1.00 0.00 N ATOM 58 CA LEU A 5 -0.646 -4.266 4.750 1.00 0.00 C ATOM 59 C LEU A 5 0.290 -4.678 3.618 1.00 0.00 C ATOM 60 O LEU A 5 1.076 -3.845 3.162 1.00 0.00 O ATOM 61 CB LEU A 5 -1.693 -3.232 4.330 1.00 0.00 C ATOM 62 CG LEU A 5 -2.754 -3.709 3.341 1.00 0.00 C ATOM 63 CD1 LEU A 5 -2.194 -3.919 1.933 1.00 0.00 C ATOM 64 CD2 LEU A 5 -3.433 -4.957 3.909 1.00 0.00 C ATOM 0 H LEU A 5 0.564 -2.718 5.374 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.169 -5.154 5.104 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.198 -2.872 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.175 -2.379 3.892 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.506 -2.929 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.991 -4.258 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.787 -2.979 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.404 -4.670 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.193 -5.307 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.689 -5.740 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.901 -4.714 4.863 1.00 0.00 H new ATOM 76 N LYS A 6 0.249 -5.947 3.194 1.00 0.00 N ATOM 77 CA LYS A 6 1.071 -6.457 2.110 1.00 0.00 C ATOM 78 C LYS A 6 0.116 -6.918 1.014 1.00 0.00 C ATOM 79 O LYS A 6 -0.822 -7.675 1.291 1.00 0.00 O ATOM 80 CB LYS A 6 1.935 -7.616 2.621 1.00 0.00 C ATOM 81 CG LYS A 6 3.348 -7.630 2.028 1.00 0.00 C ATOM 82 CD LYS A 6 4.297 -6.832 2.933 1.00 0.00 C ATOM 83 CE LYS A 6 5.768 -7.020 2.539 1.00 0.00 C ATOM 84 NZ LYS A 6 6.060 -6.497 1.193 1.00 0.00 N ATOM 0 H LYS A 6 -0.366 -6.650 3.604 1.00 0.00 H new ATOM 0 HA LYS A 6 1.748 -5.696 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.005 -7.555 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.441 -8.559 2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.701 -8.656 1.930 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.337 -7.199 1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.041 -5.774 2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.157 -7.144 3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.404 -6.516 3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.019 -8.080 2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.078 -6.585 0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 5.525 -7.040 0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.784 -5.496 1.142 1.00 0.00 H new ATOM 98 N MET A 7 0.320 -6.438 -0.211 1.00 0.00 N ATOM 99 CA MET A 7 -0.574 -6.686 -1.312 1.00 0.00 C ATOM 100 C MET A 7 0.223 -6.949 -2.573 1.00 0.00 C ATOM 101 O MET A 7 1.110 -6.179 -2.924 1.00 0.00 O ATOM 102 CB MET A 7 -1.524 -5.501 -1.458 1.00 0.00 C ATOM 103 CG MET A 7 -0.869 -4.184 -1.811 1.00 0.00 C ATOM 104 SD MET A 7 -1.734 -2.658 -1.352 1.00 0.00 S ATOM 105 CE MET A 7 -3.158 -2.694 -2.455 1.00 0.00 C ATOM 0 H MET A 7 1.124 -5.860 -0.458 1.00 0.00 H new ATOM 0 HA MET A 7 -1.176 -7.575 -1.124 1.00 0.00 H new ATOM 0 HB2 MET A 7 -2.259 -5.739 -2.227 1.00 0.00 H new ATOM 0 HB3 MET A 7 -2.069 -5.377 -0.522 1.00 0.00 H new ATOM 0 HG2 MET A 7 0.116 -4.164 -1.344 1.00 0.00 H new ATOM 0 HG3 MET A 7 -0.710 -4.167 -2.889 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.896 -1.965 -2.120 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.840 -2.449 -3.468 1.00 0.00 H new ATOM 0 HE3 MET A 7 -3.601 -3.690 -2.444 1.00 0.00 H new ATOM 115 N LYS A 8 -0.104 -8.043 -3.248 1.00 0.00 N ATOM 116 CA LYS A 8 0.498 -8.330 -4.547 1.00 0.00 C ATOM 117 C LYS A 8 -0.124 -7.361 -5.542 1.00 0.00 C ATOM 118 O LYS A 8 -1.341 -7.207 -5.510 1.00 0.00 O ATOM 119 CB LYS A 8 0.243 -9.778 -4.982 1.00 0.00 C ATOM 120 CG LYS A 8 1.202 -10.795 -4.363 1.00 0.00 C ATOM 121 CD LYS A 8 1.084 -10.906 -2.837 1.00 0.00 C ATOM 122 CE LYS A 8 1.890 -12.120 -2.349 1.00 0.00 C ATOM 123 NZ LYS A 8 2.282 -11.987 -0.934 1.00 0.00 N ATOM 0 H LYS A 8 -0.775 -8.740 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 8 1.580 -8.208 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.779 -10.051 -4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.318 -9.838 -6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.014 -11.774 -4.805 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.225 -10.520 -4.620 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.455 -9.996 -2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.038 -11.011 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.297 -13.025 -2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.783 -12.234 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.143 -12.544 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.466 -10.987 -0.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.514 -12.337 -0.327 1.00 0.00 H new ATOM 137 N VAL A 9 0.672 -6.717 -6.394 1.00 0.00 N ATOM 138 CA VAL A 9 0.195 -5.873 -7.479 1.00 0.00 C ATOM 139 C VAL A 9 0.697 -6.491 -8.776 1.00 0.00 C ATOM 140 O VAL A 9 1.755 -7.107 -8.766 1.00 0.00 O ATOM 141 CB VAL A 9 0.720 -4.437 -7.322 1.00 0.00 C ATOM 142 CG1 VAL A 9 0.012 -3.715 -6.172 1.00 0.00 C ATOM 143 CG2 VAL A 9 2.240 -4.363 -7.123 1.00 0.00 C ATOM 0 H VAL A 9 1.689 -6.771 -6.345 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.894 -5.817 -7.474 1.00 0.00 H new ATOM 0 HB VAL A 9 0.495 -3.936 -8.263 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.403 -2.701 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.059 -3.675 -6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.187 -4.254 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.543 -3.321 -7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.516 -4.913 -6.223 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.742 -4.802 -7.985 1.00 0.00 H new ATOM 153 N GLU A 10 -0.031 -6.317 -9.880 1.00 0.00 N ATOM 154 CA GLU A 10 0.397 -6.818 -11.178 1.00 0.00 C ATOM 155 C GLU A 10 0.641 -5.667 -12.148 1.00 0.00 C ATOM 156 O GLU A 10 0.043 -4.597 -12.030 1.00 0.00 O ATOM 157 CB GLU A 10 -0.607 -7.834 -11.733 1.00 0.00 C ATOM 158 CG GLU A 10 -0.648 -9.117 -10.886 1.00 0.00 C ATOM 159 CD GLU A 10 0.652 -9.903 -11.025 1.00 0.00 C ATOM 160 OE1 GLU A 10 0.951 -10.302 -12.172 1.00 0.00 O ATOM 161 OE2 GLU A 10 1.375 -10.027 -10.011 1.00 0.00 O ATOM 0 H GLU A 10 -0.926 -5.828 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 10 1.344 -7.341 -11.050 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.600 -7.385 -11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.341 -8.085 -12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.813 -8.861 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.488 -9.737 -11.199 1.00 0.00 H new ATOM 168 N GLY A 11 1.552 -5.886 -13.098 1.00 0.00 N ATOM 169 CA GLY A 11 1.826 -4.966 -14.195 1.00 0.00 C ATOM 170 C GLY A 11 2.896 -3.930 -13.847 1.00 0.00 C ATOM 171 O GLY A 11 3.659 -3.515 -14.716 1.00 0.00 O ATOM 0 H GLY A 11 2.130 -6.726 -13.124 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.147 -5.534 -15.068 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.905 -4.452 -14.471 1.00 0.00 H new ATOM 175 N MET A 12 2.945 -3.490 -12.589 1.00 0.00 N ATOM 176 CA MET A 12 3.895 -2.488 -12.127 1.00 0.00 C ATOM 177 C MET A 12 5.335 -3.012 -12.173 1.00 0.00 C ATOM 178 O MET A 12 5.800 -3.631 -11.218 1.00 0.00 O ATOM 179 CB MET A 12 3.531 -2.075 -10.701 1.00 0.00 C ATOM 180 CG MET A 12 2.245 -1.239 -10.663 1.00 0.00 C ATOM 181 SD MET A 12 1.539 -0.983 -9.016 1.00 0.00 S ATOM 182 CE MET A 12 2.996 -0.388 -8.135 1.00 0.00 C ATOM 0 H MET A 12 2.318 -3.825 -11.858 1.00 0.00 H new ATOM 0 HA MET A 12 3.840 -1.626 -12.792 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.404 -2.966 -10.085 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.351 -1.502 -10.268 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.451 -0.265 -11.108 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.497 -1.724 -11.290 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.696 0.018 -7.169 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.691 -1.214 -7.982 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.482 0.392 -8.721 1.00 0.00 H new ATOM 192 N THR A 13 6.048 -2.730 -13.265 1.00 0.00 N ATOM 193 CA THR A 13 7.420 -3.168 -13.480 1.00 0.00 C ATOM 194 C THR A 13 8.340 -1.988 -13.811 1.00 0.00 C ATOM 195 O THR A 13 9.069 -2.015 -14.802 1.00 0.00 O ATOM 196 CB THR A 13 7.421 -4.252 -14.570 1.00 0.00 C ATOM 197 OG1 THR A 13 6.742 -3.773 -15.715 1.00 0.00 O ATOM 198 CG2 THR A 13 6.706 -5.519 -14.086 1.00 0.00 C ATOM 0 H THR A 13 5.676 -2.179 -14.038 1.00 0.00 H new ATOM 0 HA THR A 13 7.822 -3.599 -12.563 1.00 0.00 H new ATOM 0 HB THR A 13 8.458 -4.490 -14.806 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.776 -3.784 -15.551 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.721 -6.270 -14.876 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.215 -5.910 -13.205 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.673 -5.280 -13.833 1.00 0.00 H new ATOM 206 N CYS A 14 8.340 -0.954 -12.965 1.00 0.00 N ATOM 207 CA CYS A 14 9.093 0.270 -13.187 1.00 0.00 C ATOM 208 C CYS A 14 9.331 0.959 -11.845 1.00 0.00 C ATOM 209 O CYS A 14 8.691 0.627 -10.847 1.00 0.00 O ATOM 210 CB CYS A 14 8.271 1.170 -14.119 1.00 0.00 C ATOM 211 SG CYS A 14 6.629 1.515 -13.442 1.00 0.00 S ATOM 0 H CYS A 14 7.807 -0.950 -12.095 1.00 0.00 H new ATOM 0 HA CYS A 14 10.060 0.059 -13.644 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.802 2.108 -14.280 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.170 0.690 -15.092 1.00 0.00 H new ATOM 0 HG CYS A 14 6.645 1.339 -12.154 1.00 0.00 H new ATOM 216 N HIS A 15 10.222 1.956 -11.832 1.00 0.00 N ATOM 217 CA HIS A 15 10.395 2.843 -10.686 1.00 0.00 C ATOM 218 C HIS A 15 9.380 3.997 -10.709 1.00 0.00 C ATOM 219 O HIS A 15 9.353 4.806 -9.785 1.00 0.00 O ATOM 220 CB HIS A 15 11.838 3.366 -10.625 1.00 0.00 C ATOM 221 CG HIS A 15 12.118 4.566 -11.497 1.00 0.00 C ATOM 222 ND1 HIS A 15 12.352 5.844 -11.044 1.00 0.00 N ATOM 223 CD2 HIS A 15 12.158 4.597 -12.865 1.00 0.00 C ATOM 224 CE1 HIS A 15 12.539 6.627 -12.121 1.00 0.00 C ATOM 225 NE2 HIS A 15 12.427 5.913 -13.253 1.00 0.00 N ATOM 0 H HIS A 15 10.840 2.167 -12.615 1.00 0.00 H new ATOM 0 HA HIS A 15 10.204 2.267 -9.780 1.00 0.00 H new ATOM 0 HB2 HIS A 15 12.072 3.624 -9.592 1.00 0.00 H new ATOM 0 HB3 HIS A 15 12.513 2.560 -10.913 1.00 0.00 H new ATOM 0 HD2 HIS A 15 12.009 3.756 -13.526 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.750 7.685 -12.081 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.520 6.262 -14.207 1.00 0.00 H new ATOM 233 N SER A 16 8.590 4.114 -11.786 1.00 0.00 N ATOM 234 CA SER A 16 7.711 5.253 -12.000 1.00 0.00 C ATOM 235 C SER A 16 6.429 5.061 -11.188 1.00 0.00 C ATOM 236 O SER A 16 6.277 5.683 -10.143 1.00 0.00 O ATOM 237 CB SER A 16 7.479 5.487 -13.504 1.00 0.00 C ATOM 238 OG SER A 16 7.311 6.869 -13.756 1.00 0.00 O ATOM 0 H SER A 16 8.549 3.416 -12.529 1.00 0.00 H new ATOM 0 HA SER A 16 8.177 6.170 -11.638 1.00 0.00 H new ATOM 0 HB2 SER A 16 8.325 5.105 -14.075 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.597 4.938 -13.835 1.00 0.00 H new ATOM 0 HG SER A 16 7.166 7.011 -14.715 1.00 0.00 H new ATOM 244 N CYS A 17 5.533 4.174 -11.635 1.00 0.00 N ATOM 245 CA CYS A 17 4.238 3.911 -11.023 1.00 0.00 C ATOM 246 C CYS A 17 4.370 3.630 -9.525 1.00 0.00 C ATOM 247 O CYS A 17 3.618 4.169 -8.719 1.00 0.00 O ATOM 248 CB CYS A 17 3.560 2.743 -11.750 1.00 0.00 C ATOM 249 SG CYS A 17 3.342 2.987 -13.536 1.00 0.00 S ATOM 0 H CYS A 17 5.702 3.602 -12.463 1.00 0.00 H new ATOM 0 HA CYS A 17 3.617 4.801 -11.122 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.150 1.841 -11.589 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.583 2.569 -11.299 1.00 0.00 H new ATOM 0 HG CYS A 17 4.392 2.550 -14.165 1.00 0.00 H new ATOM 254 N THR A 18 5.344 2.797 -9.162 1.00 0.00 N ATOM 255 CA THR A 18 5.728 2.494 -7.795 1.00 0.00 C ATOM 256 C THR A 18 5.919 3.787 -6.991 1.00 0.00 C ATOM 257 O THR A 18 5.171 4.052 -6.051 1.00 0.00 O ATOM 258 CB THR A 18 7.010 1.652 -7.872 1.00 0.00 C ATOM 259 OG1 THR A 18 7.904 2.279 -8.769 1.00 0.00 O ATOM 260 CG2 THR A 18 6.730 0.253 -8.432 1.00 0.00 C ATOM 0 H THR A 18 5.909 2.295 -9.848 1.00 0.00 H new ATOM 0 HA THR A 18 4.953 1.933 -7.273 1.00 0.00 H new ATOM 0 HB THR A 18 7.418 1.568 -6.865 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.199 1.632 -9.443 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.659 -0.315 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.018 -0.261 -7.787 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.314 0.339 -9.436 1.00 0.00 H new ATOM 268 N SER A 19 6.899 4.605 -7.382 1.00 0.00 N ATOM 269 CA SER A 19 7.183 5.894 -6.756 1.00 0.00 C ATOM 270 C SER A 19 5.936 6.792 -6.747 1.00 0.00 C ATOM 271 O SER A 19 5.608 7.396 -5.729 1.00 0.00 O ATOM 272 CB SER A 19 8.356 6.561 -7.487 1.00 0.00 C ATOM 273 OG SER A 19 8.719 7.778 -6.865 1.00 0.00 O ATOM 0 H SER A 19 7.527 4.385 -8.155 1.00 0.00 H new ATOM 0 HA SER A 19 7.463 5.736 -5.714 1.00 0.00 H new ATOM 0 HB2 SER A 19 9.212 5.886 -7.499 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.082 6.747 -8.525 1.00 0.00 H new ATOM 0 HG SER A 19 9.469 8.182 -7.349 1.00 0.00 H new ATOM 279 N THR A 20 5.213 6.878 -7.867 1.00 0.00 N ATOM 280 CA THR A 20 3.984 7.648 -7.973 1.00 0.00 C ATOM 281 C THR A 20 2.974 7.218 -6.907 1.00 0.00 C ATOM 282 O THR A 20 2.400 8.071 -6.235 1.00 0.00 O ATOM 283 CB THR A 20 3.414 7.522 -9.393 1.00 0.00 C ATOM 284 OG1 THR A 20 4.365 7.988 -10.328 1.00 0.00 O ATOM 285 CG2 THR A 20 2.118 8.315 -9.583 1.00 0.00 C ATOM 0 H THR A 20 5.473 6.406 -8.733 1.00 0.00 H new ATOM 0 HA THR A 20 4.203 8.700 -7.790 1.00 0.00 H new ATOM 0 HB THR A 20 3.189 6.467 -9.551 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.079 7.324 -10.426 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.761 8.189 -10.605 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.363 7.950 -8.887 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.307 9.371 -9.392 1.00 0.00 H new ATOM 293 N ILE A 21 2.745 5.914 -6.744 1.00 0.00 N ATOM 294 CA ILE A 21 1.865 5.364 -5.736 1.00 0.00 C ATOM 295 C ILE A 21 2.387 5.745 -4.351 1.00 0.00 C ATOM 296 O ILE A 21 1.632 6.286 -3.543 1.00 0.00 O ATOM 297 CB ILE A 21 1.777 3.849 -5.988 1.00 0.00 C ATOM 298 CG1 ILE A 21 0.673 3.567 -7.004 1.00 0.00 C ATOM 299 CG2 ILE A 21 1.511 3.054 -4.727 1.00 0.00 C ATOM 300 CD1 ILE A 21 0.867 2.229 -7.713 1.00 0.00 C ATOM 0 H ILE A 21 3.182 5.201 -7.329 1.00 0.00 H new ATOM 0 HA ILE A 21 0.853 5.767 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 21 2.747 3.532 -6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.293 3.571 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.649 4.368 -7.743 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.460 1.993 -4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.317 3.224 -4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.565 3.372 -4.289 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.057 2.074 -8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.820 2.232 -8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.863 1.424 -6.978 1.00 0.00 H new ATOM 312 N GLU A 22 3.675 5.489 -4.104 1.00 0.00 N ATOM 313 CA GLU A 22 4.375 5.874 -2.887 1.00 0.00 C ATOM 314 C GLU A 22 4.042 7.329 -2.518 1.00 0.00 C ATOM 315 O GLU A 22 3.550 7.597 -1.423 1.00 0.00 O ATOM 316 CB GLU A 22 5.878 5.546 -3.038 1.00 0.00 C ATOM 317 CG GLU A 22 6.194 4.210 -2.339 1.00 0.00 C ATOM 318 CD GLU A 22 7.611 3.675 -2.553 1.00 0.00 C ATOM 319 OE1 GLU A 22 8.479 4.490 -2.930 1.00 0.00 O ATOM 320 OE2 GLU A 22 7.807 2.460 -2.304 1.00 0.00 O ATOM 0 H GLU A 22 4.271 4.994 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 22 4.035 5.293 -2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.142 5.486 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.479 6.345 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.028 4.332 -1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.484 3.460 -2.689 1.00 0.00 H new ATOM 327 N GLY A 23 4.221 8.258 -3.458 1.00 0.00 N ATOM 328 CA GLY A 23 3.850 9.654 -3.296 1.00 0.00 C ATOM 329 C GLY A 23 2.355 9.839 -3.013 1.00 0.00 C ATOM 330 O GLY A 23 1.976 10.441 -2.007 1.00 0.00 O ATOM 0 H GLY A 23 4.635 8.052 -4.367 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.427 10.087 -2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.116 10.204 -4.199 1.00 0.00 H new ATOM 334 N LYS A 24 1.494 9.363 -3.919 1.00 0.00 N ATOM 335 CA LYS A 24 0.060 9.628 -3.874 1.00 0.00 C ATOM 336 C LYS A 24 -0.535 9.171 -2.546 1.00 0.00 C ATOM 337 O LYS A 24 -1.287 9.904 -1.909 1.00 0.00 O ATOM 338 CB LYS A 24 -0.654 8.947 -5.054 1.00 0.00 C ATOM 339 CG LYS A 24 -1.889 9.734 -5.524 1.00 0.00 C ATOM 340 CD LYS A 24 -1.504 10.721 -6.641 1.00 0.00 C ATOM 341 CE LYS A 24 -2.743 11.307 -7.338 1.00 0.00 C ATOM 342 NZ LYS A 24 -2.416 11.867 -8.669 1.00 0.00 N ATOM 0 H LYS A 24 1.778 8.780 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.090 10.704 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.044 8.840 -5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.957 7.942 -4.761 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.651 9.044 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.323 10.277 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.907 11.530 -6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.880 10.213 -7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.499 10.530 -7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.176 12.088 -6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.278 12.252 -9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.713 12.626 -8.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.027 11.117 -9.275 1.00 0.00 H new ATOM 356 N ILE A 25 -0.201 7.945 -2.150 1.00 0.00 N ATOM 357 CA ILE A 25 -0.656 7.359 -0.901 1.00 0.00 C ATOM 358 C ILE A 25 0.039 8.056 0.272 1.00 0.00 C ATOM 359 O ILE A 25 -0.614 8.393 1.258 1.00 0.00 O ATOM 360 CB ILE A 25 -0.466 5.833 -0.926 1.00 0.00 C ATOM 361 CG1 ILE A 25 -1.204 5.145 -2.082 1.00 0.00 C ATOM 362 CG2 ILE A 25 -0.815 5.203 0.428 1.00 0.00 C ATOM 363 CD1 ILE A 25 -2.703 5.085 -1.838 1.00 0.00 C ATOM 0 H ILE A 25 0.400 7.328 -2.696 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.726 7.520 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 25 0.595 5.663 -1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.008 5.683 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.816 4.135 -2.211 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.670 4.124 0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.168 5.619 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.855 5.418 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.189 4.591 -2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.901 4.525 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.096 6.097 -1.735 1.00 0.00 H new ATOM 375 N GLY A 26 1.343 8.330 0.158 1.00 0.00 N ATOM 376 CA GLY A 26 2.080 9.129 1.130 1.00 0.00 C ATOM 377 C GLY A 26 1.374 10.448 1.457 1.00 0.00 C ATOM 378 O GLY A 26 1.416 10.910 2.593 1.00 0.00 O ATOM 0 H GLY A 26 1.916 7.999 -0.618 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.210 8.553 2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.077 9.340 0.742 1.00 0.00 H new ATOM 382 N LYS A 27 0.717 11.059 0.466 1.00 0.00 N ATOM 383 CA LYS A 27 -0.016 12.305 0.634 1.00 0.00 C ATOM 384 C LYS A 27 -1.203 12.181 1.610 1.00 0.00 C ATOM 385 O LYS A 27 -1.737 13.201 2.043 1.00 0.00 O ATOM 386 CB LYS A 27 -0.479 12.794 -0.742 1.00 0.00 C ATOM 387 CG LYS A 27 -0.690 14.313 -0.791 1.00 0.00 C ATOM 388 CD LYS A 27 -1.763 14.704 -1.818 1.00 0.00 C ATOM 389 CE LYS A 27 -3.166 14.486 -1.225 1.00 0.00 C ATOM 390 NZ LYS A 27 -4.242 14.729 -2.205 1.00 0.00 N ATOM 0 H LYS A 27 0.683 10.692 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 27 0.656 13.035 1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.260 12.510 -1.491 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.410 12.293 -1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.983 14.672 0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.250 14.803 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.639 15.748 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.646 14.108 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.244 13.465 -0.852 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.302 15.149 -0.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.165 14.568 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.188 15.711 -2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.132 14.079 -3.010 1.00 0.00 H new ATOM 404 N LEU A 28 -1.678 10.967 1.909 1.00 0.00 N ATOM 405 CA LEU A 28 -2.876 10.755 2.707 1.00 0.00 C ATOM 406 C LEU A 28 -2.591 10.774 4.208 1.00 0.00 C ATOM 407 O LEU A 28 -1.587 10.243 4.679 1.00 0.00 O ATOM 408 CB LEU A 28 -3.499 9.426 2.338 1.00 0.00 C ATOM 409 CG LEU A 28 -3.852 9.323 0.844 1.00 0.00 C ATOM 410 CD1 LEU A 28 -4.882 8.213 0.736 1.00 0.00 C ATOM 411 CD2 LEU A 28 -4.479 10.583 0.232 1.00 0.00 C ATOM 0 H LEU A 28 -1.234 10.103 1.599 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.559 11.577 2.490 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.810 8.623 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.402 9.277 2.930 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.922 9.153 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.176 8.089 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.453 7.281 1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.758 8.470 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.691 10.409 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.407 10.818 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.786 11.419 0.330 1.00 0.00 H new ATOM 423 N GLN A 29 -3.523 11.347 4.974 1.00 0.00 N ATOM 424 CA GLN A 29 -3.400 11.447 6.417 1.00 0.00 C ATOM 425 C GLN A 29 -3.658 10.095 7.095 1.00 0.00 C ATOM 426 O GLN A 29 -4.803 9.688 7.257 1.00 0.00 O ATOM 427 CB GLN A 29 -4.287 12.592 6.938 1.00 0.00 C ATOM 428 CG GLN A 29 -5.790 12.303 6.813 1.00 0.00 C ATOM 429 CD GLN A 29 -6.630 13.576 6.811 1.00 0.00 C ATOM 430 OE1 GLN A 29 -6.459 14.435 5.951 1.00 0.00 O ATOM 431 NE2 GLN A 29 -7.552 13.715 7.759 1.00 0.00 N ATOM 0 H GLN A 29 -4.382 11.753 4.604 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.374 11.702 6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.046 12.781 7.984 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.052 13.503 6.387 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -5.975 11.748 5.893 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.104 11.665 7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -7.674 12.986 8.462 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.137 14.550 7.783 1.00 0.00 H new ATOM 440 N GLY A 30 -2.601 9.388 7.502 1.00 0.00 N ATOM 441 CA GLY A 30 -2.751 8.125 8.219 1.00 0.00 C ATOM 442 C GLY A 30 -1.634 7.138 7.935 1.00 0.00 C ATOM 443 O GLY A 30 -1.410 6.214 8.718 1.00 0.00 O ATOM 0 H GLY A 30 -1.633 9.671 7.346 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.786 8.325 9.290 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.705 7.672 7.948 1.00 0.00 H new ATOM 447 N VAL A 31 -0.947 7.316 6.809 1.00 0.00 N ATOM 448 CA VAL A 31 0.151 6.457 6.424 1.00 0.00 C ATOM 449 C VAL A 31 1.433 7.008 7.038 1.00 0.00 C ATOM 450 O VAL A 31 1.675 8.210 6.945 1.00 0.00 O ATOM 451 CB VAL A 31 0.218 6.405 4.889 1.00 0.00 C ATOM 452 CG1 VAL A 31 1.323 5.454 4.419 1.00 0.00 C ATOM 453 CG2 VAL A 31 -1.125 5.936 4.318 1.00 0.00 C ATOM 0 H VAL A 31 -1.142 8.063 6.143 1.00 0.00 H new ATOM 0 HA VAL A 31 0.013 5.439 6.788 1.00 0.00 H new ATOM 0 HB VAL A 31 0.441 7.410 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.349 5.436 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.285 5.798 4.799 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.123 4.450 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.066 5.903 3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.355 4.941 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.910 6.630 4.618 1.00 0.00 H new ATOM 463 N GLN A 32 2.248 6.151 7.666 1.00 0.00 N ATOM 464 CA GLN A 32 3.535 6.560 8.206 1.00 0.00 C ATOM 465 C GLN A 32 4.683 6.118 7.304 1.00 0.00 C ATOM 466 O GLN A 32 5.735 6.755 7.280 1.00 0.00 O ATOM 467 CB GLN A 32 3.703 6.059 9.639 1.00 0.00 C ATOM 468 CG GLN A 32 3.890 4.550 9.833 1.00 0.00 C ATOM 469 CD GLN A 32 4.631 4.312 11.144 1.00 0.00 C ATOM 470 OE1 GLN A 32 4.138 4.654 12.213 1.00 0.00 O ATOM 471 NE2 GLN A 32 5.845 3.768 11.076 1.00 0.00 N ATOM 0 H GLN A 32 2.030 5.165 7.809 1.00 0.00 H new ATOM 0 HA GLN A 32 3.562 7.649 8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.564 6.566 10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.828 6.368 10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.922 4.049 9.850 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.452 4.129 9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.231 3.493 10.173 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.389 3.627 11.927 1.00 0.00 H new ATOM 480 N ARG A 33 4.508 5.008 6.584 1.00 0.00 N ATOM 481 CA ARG A 33 5.495 4.524 5.643 1.00 0.00 C ATOM 482 C ARG A 33 4.763 3.704 4.594 1.00 0.00 C ATOM 483 O ARG A 33 3.603 3.336 4.753 1.00 0.00 O ATOM 484 CB ARG A 33 6.587 3.721 6.372 1.00 0.00 C ATOM 485 CG ARG A 33 7.978 3.978 5.788 1.00 0.00 C ATOM 486 CD ARG A 33 9.004 3.127 6.548 1.00 0.00 C ATOM 487 NE ARG A 33 10.386 3.466 6.173 1.00 0.00 N ATOM 488 CZ ARG A 33 11.073 4.524 6.636 1.00 0.00 C ATOM 489 NH1 ARG A 33 10.472 5.409 7.440 1.00 0.00 N ATOM 490 NH2 ARG A 33 12.355 4.691 6.294 1.00 0.00 N ATOM 0 H ARG A 33 3.673 4.425 6.644 1.00 0.00 H new ATOM 0 HA ARG A 33 6.011 5.349 5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.584 3.984 7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.358 2.657 6.307 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.993 3.728 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.231 5.035 5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.873 3.273 7.620 1.00 0.00 H new ATOM 0 HD3 ARG A 33 8.822 2.072 6.345 1.00 0.00 H new ATOM 0 HE ARG A 33 10.859 2.851 5.511 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.494 5.280 7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.992 6.213 7.793 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.812 4.015 5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.876 5.494 6.646 1.00 0.00 H new ATOM 504 N ILE A 34 5.442 3.448 3.493 1.00 0.00 N ATOM 505 CA ILE A 34 4.929 2.752 2.355 1.00 0.00 C ATOM 506 C ILE A 34 6.176 2.235 1.649 1.00 0.00 C ATOM 507 O ILE A 34 7.231 2.868 1.740 1.00 0.00 O ATOM 508 CB ILE A 34 4.058 3.722 1.546 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.610 3.030 0.260 1.00 0.00 C ATOM 510 CG2 ILE A 34 4.735 5.079 1.285 1.00 0.00 C ATOM 511 CD1 ILE A 34 2.358 3.672 -0.339 1.00 0.00 C ATOM 0 H ILE A 34 6.412 3.739 3.374 1.00 0.00 H new ATOM 0 HA ILE A 34 4.270 1.909 2.565 1.00 0.00 H new ATOM 0 HB ILE A 34 3.180 3.972 2.141 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.419 3.066 -0.470 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.413 1.978 0.466 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.064 5.716 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.964 5.560 2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.658 4.924 0.726 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.080 3.145 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.540 3.612 0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.561 4.717 -0.572 1.00 0.00 H new ATOM 523 N LYS A 35 6.082 1.054 1.051 1.00 0.00 N ATOM 524 CA LYS A 35 7.168 0.427 0.326 1.00 0.00 C ATOM 525 C LYS A 35 6.652 -0.339 -0.891 1.00 0.00 C ATOM 526 O LYS A 35 5.701 -1.091 -0.753 1.00 0.00 O ATOM 527 CB LYS A 35 8.035 -0.433 1.264 1.00 0.00 C ATOM 528 CG LYS A 35 9.277 0.257 1.835 1.00 0.00 C ATOM 529 CD LYS A 35 10.255 0.610 0.711 1.00 0.00 C ATOM 530 CE LYS A 35 11.643 0.994 1.248 1.00 0.00 C ATOM 531 NZ LYS A 35 12.700 0.100 0.729 1.00 0.00 N ATOM 0 H LYS A 35 5.227 0.497 1.060 1.00 0.00 H new ATOM 0 HA LYS A 35 7.821 1.208 -0.064 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.415 -0.771 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.353 -1.323 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.985 1.161 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.764 -0.397 2.558 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.351 -0.240 0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.852 1.437 0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.868 2.023 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.635 0.953 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.621 0.391 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.499 -0.879 1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.725 0.158 -0.309 1.00 0.00 H new ATOM 545 N VAL A 36 7.243 -0.181 -2.077 1.00 0.00 N ATOM 546 CA VAL A 36 6.832 -0.964 -3.243 1.00 0.00 C ATOM 547 C VAL A 36 8.020 -1.697 -3.882 1.00 0.00 C ATOM 548 O VAL A 36 9.101 -1.129 -4.023 1.00 0.00 O ATOM 549 CB VAL A 36 6.043 -0.075 -4.219 1.00 0.00 C ATOM 550 CG1 VAL A 36 5.415 -0.943 -5.314 1.00 0.00 C ATOM 551 CG2 VAL A 36 4.891 0.654 -3.510 1.00 0.00 C ATOM 0 H VAL A 36 8.002 0.477 -2.255 1.00 0.00 H new ATOM 0 HA VAL A 36 6.156 -1.758 -2.926 1.00 0.00 H new ATOM 0 HB VAL A 36 6.743 0.651 -4.632 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.857 -0.311 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.201 -1.468 -5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.740 -1.669 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.355 1.273 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.207 -0.078 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.293 1.285 -2.717 1.00 0.00 H new ATOM 561 N SER A 37 7.811 -2.971 -4.247 1.00 0.00 N ATOM 562 CA SER A 37 8.800 -3.876 -4.818 1.00 0.00 C ATOM 563 C SER A 37 8.324 -4.385 -6.182 1.00 0.00 C ATOM 564 O SER A 37 7.245 -4.973 -6.275 1.00 0.00 O ATOM 565 CB SER A 37 9.012 -5.063 -3.886 1.00 0.00 C ATOM 566 OG SER A 37 9.410 -4.640 -2.594 1.00 0.00 O ATOM 0 H SER A 37 6.898 -3.413 -4.143 1.00 0.00 H new ATOM 0 HA SER A 37 9.738 -3.335 -4.943 1.00 0.00 H new ATOM 0 HB2 SER A 37 8.090 -5.640 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.771 -5.725 -4.304 1.00 0.00 H new ATOM 0 HG SER A 37 9.537 -5.423 -2.018 1.00 0.00 H new ATOM 572 N LEU A 38 9.139 -4.190 -7.223 1.00 0.00 N ATOM 573 CA LEU A 38 8.807 -4.570 -8.592 1.00 0.00 C ATOM 574 C LEU A 38 9.016 -6.070 -8.803 1.00 0.00 C ATOM 575 O LEU A 38 8.112 -6.749 -9.279 1.00 0.00 O ATOM 576 CB LEU A 38 9.550 -3.659 -9.593 1.00 0.00 C ATOM 577 CG LEU A 38 10.468 -4.322 -10.634 1.00 0.00 C ATOM 578 CD1 LEU A 38 9.705 -5.252 -11.591 1.00 0.00 C ATOM 579 CD2 LEU A 38 11.173 -3.223 -11.438 1.00 0.00 C ATOM 0 H LEU A 38 10.059 -3.758 -7.133 1.00 0.00 H new ATOM 0 HA LEU A 38 7.746 -4.406 -8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.803 -3.076 -10.131 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.152 -2.954 -9.019 1.00 0.00 H new ATOM 0 HG LEU A 38 11.189 -4.940 -10.099 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.402 -5.692 -12.304 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.221 -6.044 -11.020 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.949 -4.680 -12.129 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.828 -3.679 -12.181 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.429 -2.606 -11.941 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.764 -2.602 -10.765 1.00 0.00 H new ATOM 591 N ASP A 39 10.189 -6.598 -8.442 1.00 0.00 N ATOM 592 CA ASP A 39 10.603 -7.969 -8.727 1.00 0.00 C ATOM 593 C ASP A 39 9.542 -8.952 -8.269 1.00 0.00 C ATOM 594 O ASP A 39 9.087 -9.812 -9.018 1.00 0.00 O ATOM 595 CB ASP A 39 11.904 -8.297 -7.977 1.00 0.00 C ATOM 596 CG ASP A 39 12.981 -7.233 -8.146 1.00 0.00 C ATOM 597 OD1 ASP A 39 12.681 -6.079 -7.759 1.00 0.00 O ATOM 598 OD2 ASP A 39 14.066 -7.589 -8.650 1.00 0.00 O ATOM 0 H ASP A 39 10.893 -6.067 -7.930 1.00 0.00 H new ATOM 0 HA ASP A 39 10.752 -8.054 -9.803 1.00 0.00 H new ATOM 0 HB2 ASP A 39 11.684 -8.416 -6.916 1.00 0.00 H new ATOM 0 HB3 ASP A 39 12.289 -9.253 -8.332 1.00 0.00 H new ATOM 603 N ASN A 40 9.169 -8.807 -6.998 1.00 0.00 N ATOM 604 CA ASN A 40 8.202 -9.677 -6.355 1.00 0.00 C ATOM 605 C ASN A 40 6.763 -9.202 -6.607 1.00 0.00 C ATOM 606 O ASN A 40 5.829 -9.757 -6.035 1.00 0.00 O ATOM 607 CB ASN A 40 8.520 -9.814 -4.867 1.00 0.00 C ATOM 608 CG ASN A 40 8.550 -11.271 -4.412 1.00 0.00 C ATOM 609 OD1 ASN A 40 7.561 -11.816 -3.936 1.00 0.00 O ATOM 610 ND2 ASN A 40 9.711 -11.913 -4.538 1.00 0.00 N ATOM 0 H ASN A 40 9.535 -8.077 -6.387 1.00 0.00 H new ATOM 0 HA ASN A 40 8.277 -10.669 -6.799 1.00 0.00 H new ATOM 0 HB2 ASN A 40 9.485 -9.351 -4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.775 -9.270 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 40 9.793 -12.883 -4.235 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.518 -11.434 -4.938 1.00 0.00 H new ATOM 617 N GLN A 41 6.605 -8.148 -7.423 1.00 0.00 N ATOM 618 CA GLN A 41 5.379 -7.437 -7.749 1.00 0.00 C ATOM 619 C GLN A 41 4.471 -7.292 -6.517 1.00 0.00 C ATOM 620 O GLN A 41 3.349 -7.796 -6.466 1.00 0.00 O ATOM 621 CB GLN A 41 4.736 -8.072 -9.002 1.00 0.00 C ATOM 622 CG GLN A 41 4.510 -7.036 -10.115 1.00 0.00 C ATOM 623 CD GLN A 41 4.010 -7.647 -11.425 1.00 0.00 C ATOM 624 OE1 GLN A 41 4.205 -7.072 -12.491 1.00 0.00 O ATOM 625 NE2 GLN A 41 3.334 -8.791 -11.392 1.00 0.00 N ATOM 0 H GLN A 41 7.406 -7.744 -7.908 1.00 0.00 H new ATOM 0 HA GLN A 41 5.589 -6.403 -8.024 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.377 -8.871 -9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.784 -8.528 -8.731 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.788 -6.295 -9.770 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.444 -6.507 -10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.175 -9.264 -10.502 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.974 -9.196 -12.256 1.00 0.00 H new ATOM 634 N GLU A 42 4.979 -6.598 -5.490 1.00 0.00 N ATOM 635 CA GLU A 42 4.303 -6.493 -4.204 1.00 0.00 C ATOM 636 C GLU A 42 4.467 -5.094 -3.615 1.00 0.00 C ATOM 637 O GLU A 42 5.553 -4.520 -3.657 1.00 0.00 O ATOM 638 CB GLU A 42 4.811 -7.577 -3.238 1.00 0.00 C ATOM 639 CG GLU A 42 3.799 -7.805 -2.104 1.00 0.00 C ATOM 640 CD GLU A 42 4.314 -8.741 -1.028 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.351 -8.384 -0.428 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.622 -9.742 -0.743 1.00 0.00 O ATOM 0 H GLU A 42 5.867 -6.098 -5.533 1.00 0.00 H new ATOM 0 HA GLU A 42 3.237 -6.658 -4.359 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.974 -8.508 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.773 -7.279 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.546 -6.846 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.879 -8.213 -2.522 1.00 0.00 H new ATOM 649 N ALA A 43 3.381 -4.567 -3.048 1.00 0.00 N ATOM 650 CA ALA A 43 3.339 -3.328 -2.299 1.00 0.00 C ATOM 651 C ALA A 43 3.162 -3.624 -0.805 1.00 0.00 C ATOM 652 O ALA A 43 2.535 -4.609 -0.410 1.00 0.00 O ATOM 653 CB ALA A 43 2.231 -2.427 -2.849 1.00 0.00 C ATOM 0 H ALA A 43 2.469 -5.020 -3.106 1.00 0.00 H new ATOM 0 HA ALA A 43 4.282 -2.793 -2.413 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.204 -1.496 -2.282 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.428 -2.207 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.271 -2.935 -2.759 1.00 0.00 H new ATOM 659 N THR A 44 3.747 -2.746 0.002 1.00 0.00 N ATOM 660 CA THR A 44 3.804 -2.684 1.447 1.00 0.00 C ATOM 661 C THR A 44 3.196 -1.335 1.806 1.00 0.00 C ATOM 662 O THR A 44 3.668 -0.323 1.299 1.00 0.00 O ATOM 663 CB THR A 44 5.284 -2.664 1.874 1.00 0.00 C ATOM 664 OG1 THR A 44 5.959 -3.824 1.410 1.00 0.00 O ATOM 665 CG2 THR A 44 5.411 -2.593 3.401 1.00 0.00 C ATOM 0 H THR A 44 4.257 -1.961 -0.402 1.00 0.00 H new ATOM 0 HA THR A 44 3.293 -3.522 1.922 1.00 0.00 H new ATOM 0 HB THR A 44 5.739 -1.778 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.574 -4.144 2.103 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.465 -2.580 3.678 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.929 -1.685 3.764 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.929 -3.463 3.847 1.00 0.00 H new ATOM 673 N ILE A 45 2.182 -1.286 2.663 1.00 0.00 N ATOM 674 CA ILE A 45 1.580 -0.027 3.077 1.00 0.00 C ATOM 675 C ILE A 45 1.606 -0.021 4.602 1.00 0.00 C ATOM 676 O ILE A 45 1.068 -0.948 5.208 1.00 0.00 O ATOM 677 CB ILE A 45 0.158 0.088 2.505 1.00 0.00 C ATOM 678 CG1 ILE A 45 0.032 -0.286 1.011 1.00 0.00 C ATOM 679 CG2 ILE A 45 -0.391 1.491 2.762 1.00 0.00 C ATOM 680 CD1 ILE A 45 0.495 0.800 0.047 1.00 0.00 C ATOM 0 H ILE A 45 1.758 -2.111 3.086 1.00 0.00 H new ATOM 0 HA ILE A 45 2.124 0.838 2.699 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.441 -0.655 3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.612 -1.190 0.826 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.009 -0.525 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.399 1.567 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.418 1.680 3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.252 2.227 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.371 0.453 -0.979 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.101 1.700 0.200 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.546 1.025 0.230 1.00 0.00 H new ATOM 692 N VAL A 46 2.287 0.959 5.212 1.00 0.00 N ATOM 693 CA VAL A 46 2.521 0.995 6.653 1.00 0.00 C ATOM 694 C VAL A 46 1.730 2.156 7.254 1.00 0.00 C ATOM 695 O VAL A 46 2.172 3.311 7.220 1.00 0.00 O ATOM 696 CB VAL A 46 4.021 1.109 6.967 1.00 0.00 C ATOM 697 CG1 VAL A 46 4.280 0.731 8.426 1.00 0.00 C ATOM 698 CG2 VAL A 46 4.860 0.207 6.058 1.00 0.00 C ATOM 0 H VAL A 46 2.691 1.751 4.712 1.00 0.00 H new ATOM 0 HA VAL A 46 2.178 0.063 7.101 1.00 0.00 H new ATOM 0 HB VAL A 46 4.315 2.144 6.790 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.346 0.815 8.640 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.725 1.403 9.080 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.955 -0.295 8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.915 0.316 6.311 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.559 -0.831 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.705 0.493 5.018 1.00 0.00 H new ATOM 708 N TYR A 47 0.544 1.850 7.781 1.00 0.00 N ATOM 709 CA TYR A 47 -0.404 2.871 8.194 1.00 0.00 C ATOM 710 C TYR A 47 -0.782 2.737 9.660 1.00 0.00 C ATOM 711 O TYR A 47 -0.448 1.761 10.326 1.00 0.00 O ATOM 712 CB TYR A 47 -1.611 2.893 7.246 1.00 0.00 C ATOM 713 CG TYR A 47 -2.634 1.797 7.471 1.00 0.00 C ATOM 714 CD1 TYR A 47 -3.654 1.990 8.420 1.00 0.00 C ATOM 715 CD2 TYR A 47 -2.617 0.619 6.698 1.00 0.00 C ATOM 716 CE1 TYR A 47 -4.616 0.996 8.639 1.00 0.00 C ATOM 717 CE2 TYR A 47 -3.636 -0.338 6.860 1.00 0.00 C ATOM 718 CZ TYR A 47 -4.627 -0.154 7.840 1.00 0.00 C ATOM 719 OH TYR A 47 -5.650 -1.043 7.974 1.00 0.00 O ATOM 0 H TYR A 47 0.221 0.894 7.930 1.00 0.00 H new ATOM 0 HA TYR A 47 0.077 3.846 8.115 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.110 3.857 7.342 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.248 2.823 6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.696 2.910 8.983 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.825 0.451 5.984 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.349 1.116 9.423 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.657 -1.215 6.230 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.384 -0.625 8.471 1.00 0.00 H new ATOM 729 N GLN A 48 -1.450 3.768 10.162 1.00 0.00 N ATOM 730 CA GLN A 48 -1.828 3.916 11.549 1.00 0.00 C ATOM 731 C GLN A 48 -3.283 3.443 11.712 1.00 0.00 C ATOM 732 O GLN A 48 -4.171 4.066 11.123 1.00 0.00 O ATOM 733 CB GLN A 48 -1.632 5.401 11.862 1.00 0.00 C ATOM 734 CG GLN A 48 -1.623 5.687 13.369 1.00 0.00 C ATOM 735 CD GLN A 48 -2.993 5.485 14.012 1.00 0.00 C ATOM 736 OE1 GLN A 48 -4.008 5.927 13.480 1.00 0.00 O ATOM 737 NE2 GLN A 48 -3.033 4.786 15.143 1.00 0.00 N ATOM 0 H GLN A 48 -1.752 4.552 9.584 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.235 3.318 12.241 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.693 5.740 11.425 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.429 5.977 11.391 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.898 5.034 13.855 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.293 6.712 13.539 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.169 4.434 15.556 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.927 4.601 15.597 1.00 0.00 H new ATOM 746 N PRO A 49 -3.563 2.362 12.467 1.00 0.00 N ATOM 747 CA PRO A 49 -4.903 1.794 12.571 1.00 0.00 C ATOM 748 C PRO A 49 -5.826 2.661 13.433 1.00 0.00 C ATOM 749 O PRO A 49 -6.191 2.291 14.547 1.00 0.00 O ATOM 750 CB PRO A 49 -4.704 0.394 13.163 1.00 0.00 C ATOM 751 CG PRO A 49 -3.489 0.608 14.062 1.00 0.00 C ATOM 752 CD PRO A 49 -2.621 1.505 13.179 1.00 0.00 C ATOM 0 HA PRO A 49 -5.396 1.748 11.600 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.576 0.060 13.726 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.516 -0.353 12.392 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.753 1.089 15.004 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.992 -0.329 14.312 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.926 2.094 13.778 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.022 0.915 12.485 1.00 0.00 H new ATOM 760 N HIS A 50 -6.226 3.809 12.892 1.00 0.00 N ATOM 761 CA HIS A 50 -7.221 4.705 13.461 1.00 0.00 C ATOM 762 C HIS A 50 -7.488 5.823 12.458 1.00 0.00 C ATOM 763 O HIS A 50 -8.640 6.148 12.185 1.00 0.00 O ATOM 764 CB HIS A 50 -6.775 5.266 14.824 1.00 0.00 C ATOM 765 CG HIS A 50 -7.743 4.962 15.938 1.00 0.00 C ATOM 766 ND1 HIS A 50 -8.974 5.549 16.122 1.00 0.00 N ATOM 767 CD2 HIS A 50 -7.557 4.056 16.948 1.00 0.00 C ATOM 768 CE1 HIS A 50 -9.514 5.010 17.229 1.00 0.00 C ATOM 769 NE2 HIS A 50 -8.688 4.098 17.768 1.00 0.00 N ATOM 0 H HIS A 50 -5.848 4.152 12.009 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.141 4.151 13.649 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.799 4.853 15.077 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -6.653 6.346 14.742 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -6.693 3.423 17.086 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -10.481 5.274 17.631 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.853 3.545 18.609 1.00 0.00 H new ATOM 777 N LEU A 51 -6.418 6.407 11.908 1.00 0.00 N ATOM 778 CA LEU A 51 -6.537 7.482 10.931 1.00 0.00 C ATOM 779 C LEU A 51 -7.147 6.979 9.620 1.00 0.00 C ATOM 780 O LEU A 51 -8.061 7.608 9.095 1.00 0.00 O ATOM 781 CB LEU A 51 -5.182 8.147 10.702 1.00 0.00 C ATOM 782 CG LEU A 51 -4.715 8.931 11.948 1.00 0.00 C ATOM 783 CD1 LEU A 51 -3.189 9.062 12.011 1.00 0.00 C ATOM 784 CD2 LEU A 51 -5.313 10.342 11.958 1.00 0.00 C ATOM 0 H LEU A 51 -5.456 6.147 12.128 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.217 8.234 11.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.441 7.388 10.451 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.247 8.823 9.850 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.060 8.363 12.812 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.908 9.621 12.904 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.740 8.070 12.048 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.832 9.589 11.126 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.971 10.876 12.844 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.993 10.879 11.065 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.401 10.276 11.972 1.00 0.00 H new ATOM 796 N ILE A 52 -6.630 5.869 9.081 1.00 0.00 N ATOM 797 CA ILE A 52 -7.004 5.323 7.789 1.00 0.00 C ATOM 798 C ILE A 52 -7.108 3.791 7.894 1.00 0.00 C ATOM 799 O ILE A 52 -6.863 3.241 8.967 1.00 0.00 O ATOM 800 CB ILE A 52 -5.977 5.836 6.756 1.00 0.00 C ATOM 801 CG1 ILE A 52 -6.695 6.337 5.513 1.00 0.00 C ATOM 802 CG2 ILE A 52 -4.920 4.807 6.338 1.00 0.00 C ATOM 803 CD1 ILE A 52 -7.163 7.790 5.632 1.00 0.00 C ATOM 0 H ILE A 52 -5.917 5.314 9.555 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.988 5.653 7.456 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.442 6.641 7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.029 6.246 4.655 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.557 5.699 5.317 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.243 5.256 5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.354 4.490 7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.411 3.942 5.891 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.668 8.086 4.712 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.853 7.882 6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.302 8.437 5.798 1.00 0.00 H new ATOM 815 N SER A 53 -7.488 3.100 6.811 1.00 0.00 N ATOM 816 CA SER A 53 -7.732 1.660 6.796 1.00 0.00 C ATOM 817 C SER A 53 -7.228 1.024 5.493 1.00 0.00 C ATOM 818 O SER A 53 -7.079 1.718 4.485 1.00 0.00 O ATOM 819 CB SER A 53 -9.239 1.430 6.961 1.00 0.00 C ATOM 820 OG SER A 53 -9.935 2.051 5.896 1.00 0.00 O ATOM 0 H SER A 53 -7.636 3.541 5.903 1.00 0.00 H new ATOM 0 HA SER A 53 -7.187 1.188 7.614 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.454 0.362 6.975 1.00 0.00 H new ATOM 0 HB3 SER A 53 -9.577 1.836 7.915 1.00 0.00 H new ATOM 0 HG SER A 53 -10.898 1.901 6.003 1.00 0.00 H new ATOM 826 N VAL A 54 -7.010 -0.301 5.507 1.00 0.00 N ATOM 827 CA VAL A 54 -6.710 -1.110 4.322 1.00 0.00 C ATOM 828 C VAL A 54 -7.550 -0.685 3.118 1.00 0.00 C ATOM 829 O VAL A 54 -7.028 -0.549 2.012 1.00 0.00 O ATOM 830 CB VAL A 54 -6.943 -2.613 4.596 1.00 0.00 C ATOM 831 CG1 VAL A 54 -7.057 -3.398 3.283 1.00 0.00 C ATOM 832 CG2 VAL A 54 -5.797 -3.249 5.389 1.00 0.00 C ATOM 0 H VAL A 54 -7.039 -0.850 6.366 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.658 -0.944 4.092 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.866 -2.664 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.221 -4.453 3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.895 -3.014 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.136 -3.285 2.711 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.011 -4.305 5.554 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.868 -3.150 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.696 -2.745 6.350 1.00 0.00 H new ATOM 842 N GLU A 55 -8.866 -0.573 3.318 1.00 0.00 N ATOM 843 CA GLU A 55 -9.777 -0.348 2.211 1.00 0.00 C ATOM 844 C GLU A 55 -9.381 0.942 1.498 1.00 0.00 C ATOM 845 O GLU A 55 -9.090 0.882 0.319 1.00 0.00 O ATOM 846 CB GLU A 55 -11.230 -0.421 2.687 1.00 0.00 C ATOM 847 CG GLU A 55 -12.224 -0.833 1.591 1.00 0.00 C ATOM 848 CD GLU A 55 -12.458 0.232 0.526 1.00 0.00 C ATOM 849 OE1 GLU A 55 -12.416 1.425 0.894 1.00 0.00 O ATOM 850 OE2 GLU A 55 -12.685 -0.173 -0.636 1.00 0.00 O ATOM 0 H GLU A 55 -9.314 -0.635 4.232 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.701 -1.139 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -11.297 -1.132 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.522 0.552 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.860 -1.740 1.108 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.178 -1.081 2.056 1.00 0.00 H new ATOM 857 N GLU A 56 -9.231 2.056 2.216 1.00 0.00 N ATOM 858 CA GLU A 56 -8.750 3.333 1.718 1.00 0.00 C ATOM 859 C GLU A 56 -7.498 3.118 0.863 1.00 0.00 C ATOM 860 O GLU A 56 -7.466 3.503 -0.303 1.00 0.00 O ATOM 861 CB GLU A 56 -8.498 4.273 2.916 1.00 0.00 C ATOM 862 CG GLU A 56 -8.939 5.718 2.631 1.00 0.00 C ATOM 863 CD GLU A 56 -7.997 6.459 1.690 1.00 0.00 C ATOM 864 OE1 GLU A 56 -6.802 6.094 1.695 1.00 0.00 O ATOM 865 OE2 GLU A 56 -8.469 7.395 1.010 1.00 0.00 O ATOM 0 H GLU A 56 -9.455 2.087 3.211 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.494 3.803 1.076 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.034 3.898 3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.437 4.262 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.939 5.707 2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.005 6.263 3.573 1.00 0.00 H new ATOM 872 N MET A 57 -6.491 2.426 1.408 1.00 0.00 N ATOM 873 CA MET A 57 -5.297 2.085 0.672 1.00 0.00 C ATOM 874 C MET A 57 -5.626 1.414 -0.672 1.00 0.00 C ATOM 875 O MET A 57 -5.244 1.923 -1.722 1.00 0.00 O ATOM 876 CB MET A 57 -4.357 1.277 1.546 1.00 0.00 C ATOM 877 CG MET A 57 -4.007 1.930 2.890 1.00 0.00 C ATOM 878 SD MET A 57 -3.072 3.488 2.927 1.00 0.00 S ATOM 879 CE MET A 57 -4.342 4.742 2.680 1.00 0.00 C ATOM 0 H MET A 57 -6.494 2.093 2.372 1.00 0.00 H new ATOM 0 HA MET A 57 -4.770 3.002 0.407 1.00 0.00 H new ATOM 0 HB2 MET A 57 -4.808 0.304 1.738 1.00 0.00 H new ATOM 0 HB3 MET A 57 -3.434 1.098 0.994 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.943 2.101 3.421 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.442 1.199 3.468 1.00 0.00 H new ATOM 0 HE1 MET A 57 -4.032 5.672 3.156 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.484 4.910 1.613 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.279 4.403 3.122 1.00 0.00 H new ATOM 889 N LYS A 58 -6.347 0.289 -0.673 1.00 0.00 N ATOM 890 CA LYS A 58 -6.743 -0.370 -1.914 1.00 0.00 C ATOM 891 C LYS A 58 -7.588 0.532 -2.809 1.00 0.00 C ATOM 892 O LYS A 58 -7.223 0.775 -3.947 1.00 0.00 O ATOM 893 CB LYS A 58 -7.400 -1.719 -1.619 1.00 0.00 C ATOM 894 CG LYS A 58 -8.476 -2.128 -2.630 1.00 0.00 C ATOM 895 CD LYS A 58 -9.066 -3.505 -2.332 1.00 0.00 C ATOM 896 CE LYS A 58 -10.462 -3.564 -2.968 1.00 0.00 C ATOM 897 NZ LYS A 58 -10.960 -4.943 -3.072 1.00 0.00 N ATOM 0 H LYS A 58 -6.667 -0.182 0.173 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.841 -0.573 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.629 -2.489 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.846 -1.684 -0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.274 -1.386 -2.626 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.047 -2.129 -3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.428 -4.290 -2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.129 -3.669 -1.256 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.157 -2.971 -2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.428 -3.115 -3.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -11.905 -4.939 -3.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.311 -5.503 -3.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.017 -5.364 -2.123 1.00 0.00 H new ATOM 911 N LYS A 59 -8.736 0.977 -2.324 1.00 0.00 N ATOM 912 CA LYS A 59 -9.703 1.830 -2.988 1.00 0.00 C ATOM 913 C LYS A 59 -8.969 2.963 -3.701 1.00 0.00 C ATOM 914 O LYS A 59 -9.316 3.316 -4.830 1.00 0.00 O ATOM 915 CB LYS A 59 -10.686 2.316 -1.916 1.00 0.00 C ATOM 916 CG LYS A 59 -12.113 2.686 -2.333 1.00 0.00 C ATOM 917 CD LYS A 59 -12.174 3.943 -3.204 1.00 0.00 C ATOM 918 CE LYS A 59 -12.306 3.583 -4.690 1.00 0.00 C ATOM 919 NZ LYS A 59 -11.570 4.538 -5.536 1.00 0.00 N ATOM 0 H LYS A 59 -9.037 0.730 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.268 1.305 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.756 1.538 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.245 3.190 -1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.555 1.851 -2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.718 2.840 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.020 4.559 -2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.275 4.539 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.925 2.576 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.358 3.578 -4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -11.732 4.311 -6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.904 5.503 -5.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.553 4.475 -5.327 1.00 0.00 H new ATOM 933 N GLN A 60 -7.941 3.523 -3.065 1.00 0.00 N ATOM 934 CA GLN A 60 -7.052 4.465 -3.738 1.00 0.00 C ATOM 935 C GLN A 60 -6.123 3.794 -4.773 1.00 0.00 C ATOM 936 O GLN A 60 -6.066 4.251 -5.911 1.00 0.00 O ATOM 937 CB GLN A 60 -6.272 5.264 -2.699 1.00 0.00 C ATOM 938 CG GLN A 60 -7.096 6.276 -1.872 1.00 0.00 C ATOM 939 CD GLN A 60 -8.621 6.227 -2.037 1.00 0.00 C ATOM 940 OE1 GLN A 60 -9.330 5.465 -1.391 1.00 0.00 O ATOM 941 NE2 GLN A 60 -9.171 7.042 -2.936 1.00 0.00 N ATOM 0 H GLN A 60 -7.705 3.341 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.672 5.149 -4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.796 4.564 -2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.473 5.804 -3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.863 6.123 -0.818 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.759 7.280 -2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.583 7.678 -3.475 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -10.180 7.030 -3.085 1.00 0.00 H new ATOM 950 N ILE A 61 -5.365 2.749 -4.417 1.00 0.00 N ATOM 951 CA ILE A 61 -4.429 2.108 -5.344 1.00 0.00 C ATOM 952 C ILE A 61 -5.159 1.492 -6.536 1.00 0.00 C ATOM 953 O ILE A 61 -4.900 1.892 -7.668 1.00 0.00 O ATOM 954 CB ILE A 61 -3.510 1.108 -4.616 1.00 0.00 C ATOM 955 CG1 ILE A 61 -2.609 1.915 -3.664 1.00 0.00 C ATOM 956 CG2 ILE A 61 -2.663 0.311 -5.626 1.00 0.00 C ATOM 957 CD1 ILE A 61 -1.505 1.091 -3.010 1.00 0.00 C ATOM 0 H ILE A 61 -5.384 2.329 -3.488 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.776 2.880 -5.752 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.103 0.386 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.155 2.737 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.227 2.360 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.022 -0.389 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.321 -0.241 -6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.046 0.998 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.914 1.730 -2.354 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.950 0.285 -2.426 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.861 0.668 -3.781 1.00 0.00 H new ATOM 969 N GLU A 62 -6.066 0.537 -6.314 1.00 0.00 N ATOM 970 CA GLU A 62 -6.884 -0.048 -7.356 1.00 0.00 C ATOM 971 C GLU A 62 -7.488 1.018 -8.283 1.00 0.00 C ATOM 972 O GLU A 62 -7.555 0.792 -9.489 1.00 0.00 O ATOM 973 CB GLU A 62 -7.964 -0.915 -6.679 1.00 0.00 C ATOM 974 CG GLU A 62 -7.874 -2.399 -7.045 1.00 0.00 C ATOM 975 CD GLU A 62 -8.912 -3.222 -6.281 1.00 0.00 C ATOM 976 OE1 GLU A 62 -10.116 -2.977 -6.504 1.00 0.00 O ATOM 977 OE2 GLU A 62 -8.501 -4.047 -5.435 1.00 0.00 O ATOM 0 H GLU A 62 -6.248 0.149 -5.388 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.268 -0.672 -8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.878 -0.810 -5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.948 -0.539 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.027 -2.522 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.874 -2.771 -6.821 1.00 0.00 H new ATOM 984 N ALA A 63 -7.881 2.192 -7.764 1.00 0.00 N ATOM 985 CA ALA A 63 -8.434 3.248 -8.616 1.00 0.00 C ATOM 986 C ALA A 63 -7.488 3.682 -9.734 1.00 0.00 C ATOM 987 O ALA A 63 -7.952 4.098 -10.793 1.00 0.00 O ATOM 988 CB ALA A 63 -8.814 4.477 -7.799 1.00 0.00 C ATOM 0 H ALA A 63 -7.826 2.429 -6.773 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.321 2.809 -9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.221 5.242 -8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.564 4.203 -7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -7.930 4.866 -7.295 1.00 0.00 H new ATOM 994 N MET A 64 -6.175 3.610 -9.506 1.00 0.00 N ATOM 995 CA MET A 64 -5.194 3.864 -10.545 1.00 0.00 C ATOM 996 C MET A 64 -5.446 2.951 -11.750 1.00 0.00 C ATOM 997 O MET A 64 -5.282 3.372 -12.893 1.00 0.00 O ATOM 998 CB MET A 64 -3.795 3.609 -9.999 1.00 0.00 C ATOM 999 CG MET A 64 -3.385 4.538 -8.855 1.00 0.00 C ATOM 1000 SD MET A 64 -3.189 6.281 -9.295 1.00 0.00 S ATOM 1001 CE MET A 64 -2.386 6.878 -7.793 1.00 0.00 C ATOM 0 H MET A 64 -5.771 3.375 -8.599 1.00 0.00 H new ATOM 0 HA MET A 64 -5.280 4.903 -10.864 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.736 2.577 -9.652 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.076 3.714 -10.812 1.00 0.00 H new ATOM 0 HG2 MET A 64 -4.132 4.463 -8.065 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.444 4.179 -8.439 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.187 7.946 -7.886 1.00 0.00 H new ATOM 0 HE2 MET A 64 -3.039 6.704 -6.938 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.446 6.346 -7.647 1.00 0.00 H new ATOM 1011 N GLY A 65 -5.819 1.696 -11.478 1.00 0.00 N ATOM 1012 CA GLY A 65 -6.101 0.677 -12.479 1.00 0.00 C ATOM 1013 C GLY A 65 -5.390 -0.629 -12.138 1.00 0.00 C ATOM 1014 O GLY A 65 -5.716 -1.676 -12.694 1.00 0.00 O ATOM 0 H GLY A 65 -5.935 1.357 -10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.176 0.506 -12.538 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.779 1.026 -13.460 1.00 0.00 H new ATOM 1018 N PHE A 66 -4.404 -0.579 -11.239 1.00 0.00 N ATOM 1019 CA PHE A 66 -3.570 -1.721 -10.909 1.00 0.00 C ATOM 1020 C PHE A 66 -4.357 -2.689 -10.024 1.00 0.00 C ATOM 1021 O PHE A 66 -4.670 -2.323 -8.893 1.00 0.00 O ATOM 1022 CB PHE A 66 -2.339 -1.209 -10.158 1.00 0.00 C ATOM 1023 CG PHE A 66 -1.551 -0.160 -10.915 1.00 0.00 C ATOM 1024 CD1 PHE A 66 -1.022 -0.443 -12.187 1.00 0.00 C ATOM 1025 CD2 PHE A 66 -1.443 1.139 -10.388 1.00 0.00 C ATOM 1026 CE1 PHE A 66 -0.449 0.586 -12.955 1.00 0.00 C ATOM 1027 CE2 PHE A 66 -0.844 2.160 -11.143 1.00 0.00 C ATOM 1028 CZ PHE A 66 -0.391 1.892 -12.443 1.00 0.00 C ATOM 0 H PHE A 66 -4.166 0.266 -10.719 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.264 -2.246 -11.814 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.656 -0.792 -9.202 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.684 -2.052 -9.936 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.056 -1.451 -12.574 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.822 1.352 -9.399 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.054 0.372 -13.937 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.732 3.149 -10.724 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.003 2.692 -13.052 1.00 0.00 H new ATOM 1038 N PRO A 67 -4.675 -3.912 -10.477 1.00 0.00 N ATOM 1039 CA PRO A 67 -5.346 -4.872 -9.621 1.00 0.00 C ATOM 1040 C PRO A 67 -4.393 -5.253 -8.490 1.00 0.00 C ATOM 1041 O PRO A 67 -3.188 -5.372 -8.726 1.00 0.00 O ATOM 1042 CB PRO A 67 -5.669 -6.063 -10.526 1.00 0.00 C ATOM 1043 CG PRO A 67 -4.550 -6.021 -11.567 1.00 0.00 C ATOM 1044 CD PRO A 67 -4.276 -4.525 -11.735 1.00 0.00 C ATOM 0 HA PRO A 67 -6.258 -4.491 -9.162 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.669 -7.002 -9.972 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.652 -5.964 -10.987 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.664 -6.556 -11.226 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.858 -6.481 -12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.222 -4.340 -11.945 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.844 -4.113 -12.569 1.00 0.00 H new ATOM 1052 N ALA A 68 -4.920 -5.430 -7.271 1.00 0.00 N ATOM 1053 CA ALA A 68 -4.104 -5.796 -6.127 1.00 0.00 C ATOM 1054 C ALA A 68 -4.752 -6.884 -5.275 1.00 0.00 C ATOM 1055 O ALA A 68 -5.908 -6.769 -4.873 1.00 0.00 O ATOM 1056 CB ALA A 68 -3.788 -4.578 -5.265 1.00 0.00 C ATOM 0 H ALA A 68 -5.912 -5.323 -7.061 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.174 -6.199 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.176 -4.882 -4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.245 -3.843 -5.859 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.717 -4.137 -4.903 1.00 0.00 H new ATOM 1062 N PHE A 69 -3.970 -7.906 -4.932 1.00 0.00 N ATOM 1063 CA PHE A 69 -4.344 -8.907 -3.948 1.00 0.00 C ATOM 1064 C PHE A 69 -3.751 -8.487 -2.613 1.00 0.00 C ATOM 1065 O PHE A 69 -2.709 -8.993 -2.198 1.00 0.00 O ATOM 1066 CB PHE A 69 -3.899 -10.302 -4.367 1.00 0.00 C ATOM 1067 CG PHE A 69 -4.688 -10.906 -5.508 1.00 0.00 C ATOM 1068 CD1 PHE A 69 -5.976 -11.425 -5.268 1.00 0.00 C ATOM 1069 CD2 PHE A 69 -4.135 -10.976 -6.800 1.00 0.00 C ATOM 1070 CE1 PHE A 69 -6.696 -12.031 -6.311 1.00 0.00 C ATOM 1071 CE2 PHE A 69 -4.854 -11.590 -7.841 1.00 0.00 C ATOM 1072 CZ PHE A 69 -6.131 -12.123 -7.595 1.00 0.00 C ATOM 0 H PHE A 69 -3.047 -8.060 -5.338 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.429 -8.964 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.848 -10.262 -4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -3.970 -10.965 -3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.410 -11.357 -4.281 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -3.158 -10.558 -6.992 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -7.684 -12.426 -6.126 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.425 -11.652 -8.830 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.678 -12.603 -8.393 1.00 0.00 H new ATOM 1082 N VAL A 70 -4.446 -7.551 -1.970 1.00 0.00 N ATOM 1083 CA VAL A 70 -4.256 -7.142 -0.587 1.00 0.00 C ATOM 1084 C VAL A 70 -4.603 -8.307 0.349 1.00 0.00 C ATOM 1085 O VAL A 70 -5.777 -8.646 0.478 1.00 0.00 O ATOM 1086 CB VAL A 70 -5.041 -5.855 -0.307 1.00 0.00 C ATOM 1087 CG1 VAL A 70 -6.398 -5.780 -0.994 1.00 0.00 C ATOM 1088 CG2 VAL A 70 -5.199 -5.656 1.192 1.00 0.00 C ATOM 0 H VAL A 70 -5.196 -7.032 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.210 -6.900 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.449 -5.048 -0.738 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.883 -4.837 -0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.263 -5.840 -2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.021 -6.610 -0.660 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.758 -4.739 1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.738 -6.503 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.215 -5.583 1.655 1.00 0.00 H new ATOM 1098 N LYS A 71 -3.602 -8.943 0.979 1.00 0.00 N ATOM 1099 CA LYS A 71 -3.838 -10.067 1.872 1.00 0.00 C ATOM 1100 C LYS A 71 -2.725 -10.318 2.904 1.00 0.00 C ATOM 1101 O LYS A 71 -2.168 -11.413 2.972 1.00 0.00 O ATOM 1102 CB LYS A 71 -4.224 -11.304 1.071 1.00 0.00 C ATOM 1103 CG LYS A 71 -3.143 -11.681 0.074 1.00 0.00 C ATOM 1104 CD LYS A 71 -3.621 -12.901 -0.727 1.00 0.00 C ATOM 1105 CE LYS A 71 -2.508 -13.510 -1.588 1.00 0.00 C ATOM 1106 NZ LYS A 71 -2.982 -14.689 -2.345 1.00 0.00 N ATOM 0 H LYS A 71 -2.619 -8.689 0.879 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.686 -9.795 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.401 -12.138 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.159 -11.119 0.543 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.937 -10.846 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.212 -11.910 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.999 -13.658 -0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.453 -12.608 -1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.134 -12.758 -2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.672 -13.799 -0.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.201 -15.073 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.316 -15.417 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.763 -14.408 -2.972 1.00 0.00 H new ATOM 1120 N LYS A 72 -2.437 -9.339 3.761 1.00 0.00 N ATOM 1121 CA LYS A 72 -1.676 -9.549 4.987 1.00 0.00 C ATOM 1122 C LYS A 72 -2.061 -8.449 5.967 1.00 0.00 C ATOM 1123 O LYS A 72 -2.430 -7.361 5.536 1.00 0.00 O ATOM 1124 CB LYS A 72 -0.164 -9.461 4.745 1.00 0.00 C ATOM 1125 CG LYS A 72 0.513 -10.769 4.308 1.00 0.00 C ATOM 1126 CD LYS A 72 2.027 -10.630 4.552 1.00 0.00 C ATOM 1127 CE LYS A 72 2.858 -11.893 4.300 1.00 0.00 C ATOM 1128 NZ LYS A 72 2.764 -12.860 5.411 1.00 0.00 N ATOM 0 H LYS A 72 -2.728 -8.372 3.621 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.903 -10.544 5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.021 -8.704 3.983 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.313 -9.114 5.661 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.113 -11.611 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.314 -10.967 3.255 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.408 -9.833 3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.183 -10.314 5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.521 -12.368 3.379 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.901 -11.614 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.343 -13.696 5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.110 -12.418 6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.773 -13.148 5.537 1.00 0.00 H new ATOM 1142 N ILE A 73 -1.940 -8.739 7.264 1.00 0.00 N ATOM 1143 CA ILE A 73 -2.043 -7.773 8.344 1.00 0.00 C ATOM 1144 C ILE A 73 -0.866 -8.076 9.280 1.00 0.00 C ATOM 1145 O ILE A 73 -1.030 -8.762 10.286 1.00 0.00 O ATOM 1146 CB ILE A 73 -3.423 -7.864 9.037 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -4.596 -7.634 8.061 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -3.518 -6.794 10.137 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -5.143 -8.924 7.434 1.00 0.00 C ATOM 0 H ILE A 73 -1.762 -9.687 7.596 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.983 -6.743 7.992 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.501 -8.872 9.444 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.403 -7.128 8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.268 -6.965 7.265 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.491 -6.859 10.625 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.731 -6.958 10.873 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.400 -5.805 9.694 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.965 -8.681 6.760 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.350 -9.421 6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.503 -9.587 8.221 1.00 0.00 H new