USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 799 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 58 ASN : amide:sc= -1.42 K(o=-7.3,f=-2.6) USER MOD Set 1.2: A 76 GLN : amide:sc= -5.85! C(o=-7.3!,f=-2.6!) USER MOD Set 2.1: A 51 THR OG1 : rot 180:sc= 0.997 USER MOD Set 2.2: A 52 HIS : no HE2:sc= 0.504 K(o=1.5,f=-9.6!) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0497 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 55:sc= 0.325 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.179 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -2.67 K(o=-2.7,f=-3.9) USER MOD Single : A 16 CYS SG : rot 67:sc= 1.06 USER MOD Single : A 19 SER OG : rot 180:sc= -0.934 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-0.52) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -127:sc= -0.456 (180deg=-4.92!) USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 72:sc= 0.988 USER MOD Single : A 37 MET CE :methyl 153:sc= -0.344 (180deg=-1.1) USER MOD Single : A 38 GLN : amide:sc= -0.943 K(o=-0.94,f=-1.9) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 78:sc= 0.424 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.54) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0905 USER MOD Single : A 84 GLN : amide:sc= -1.51 K(o=-1.5,f=-7!) USER MOD Single : A 85 MET CE :methyl -112:sc= -5.24! (180deg=-7.3!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -167:sc= -0.351 (180deg=-0.755) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -56:sc= 0.859 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc=-0.00455 X(o=-0.0045,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.863 22.352 -17.007 1.00 0.00 N ATOM 2 CA GLY A 1 -15.638 22.110 -15.594 1.00 0.00 C ATOM 3 C GLY A 1 -16.280 23.166 -14.716 1.00 0.00 C ATOM 4 O GLY A 1 -16.669 24.230 -15.197 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.487 21.614 -17.391 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.309 23.283 -17.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.954 22.333 -17.512 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.035 21.130 -15.328 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.566 22.083 -15.399 1.00 0.00 H new ATOM 8 N SER A 2 -16.392 22.871 -13.424 1.00 0.00 N ATOM 9 CA SER A 2 -16.996 23.802 -12.478 1.00 0.00 C ATOM 10 C SER A 2 -15.967 24.808 -11.973 1.00 0.00 C ATOM 11 O SER A 2 -14.765 24.544 -11.989 1.00 0.00 O ATOM 12 CB SER A 2 -17.602 23.040 -11.297 1.00 0.00 C ATOM 13 OG SER A 2 -16.591 22.445 -10.502 1.00 0.00 O ATOM 0 H SER A 2 -16.073 21.996 -13.009 1.00 0.00 H new ATOM 0 HA SER A 2 -17.786 24.346 -12.996 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.195 23.721 -10.687 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.279 22.270 -11.666 1.00 0.00 H new ATOM 0 HG SER A 2 -17.003 21.966 -9.753 1.00 0.00 H new ATOM 19 N SER A 3 -16.448 25.964 -11.527 1.00 0.00 N ATOM 20 CA SER A 3 -15.571 27.013 -11.021 1.00 0.00 C ATOM 21 C SER A 3 -15.203 26.758 -9.563 1.00 0.00 C ATOM 22 O SER A 3 -15.862 27.252 -8.649 1.00 0.00 O ATOM 23 CB SER A 3 -16.245 28.380 -11.157 1.00 0.00 C ATOM 24 OG SER A 3 -17.544 28.367 -10.592 1.00 0.00 O ATOM 0 H SER A 3 -17.441 26.198 -11.506 1.00 0.00 H new ATOM 0 HA SER A 3 -14.657 27.005 -11.615 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.638 29.139 -10.663 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.306 28.656 -12.210 1.00 0.00 H new ATOM 0 HG SER A 3 -17.492 28.068 -9.660 1.00 0.00 H new ATOM 30 N GLY A 4 -14.145 25.981 -9.353 1.00 0.00 N ATOM 31 CA GLY A 4 -13.707 25.672 -8.005 1.00 0.00 C ATOM 32 C GLY A 4 -12.396 24.911 -7.981 1.00 0.00 C ATOM 33 O GLY A 4 -12.168 24.028 -8.808 1.00 0.00 O ATOM 0 H GLY A 4 -13.583 25.560 -10.093 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.596 26.598 -7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.475 25.083 -7.503 1.00 0.00 H new ATOM 37 N SER A 5 -11.532 25.253 -7.031 1.00 0.00 N ATOM 38 CA SER A 5 -10.235 24.599 -6.906 1.00 0.00 C ATOM 39 C SER A 5 -10.181 23.734 -5.650 1.00 0.00 C ATOM 40 O SER A 5 -10.620 24.149 -4.578 1.00 0.00 O ATOM 41 CB SER A 5 -9.115 25.641 -6.869 1.00 0.00 C ATOM 42 OG SER A 5 -9.178 26.415 -5.683 1.00 0.00 O ATOM 0 H SER A 5 -11.707 25.979 -6.337 1.00 0.00 H new ATOM 0 HA SER A 5 -10.095 23.957 -7.775 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.148 25.142 -6.931 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.193 26.294 -7.738 1.00 0.00 H new ATOM 0 HG SER A 5 -8.451 27.072 -5.682 1.00 0.00 H new ATOM 48 N SER A 6 -9.639 22.529 -5.793 1.00 0.00 N ATOM 49 CA SER A 6 -9.530 21.602 -4.672 1.00 0.00 C ATOM 50 C SER A 6 -8.143 21.672 -4.041 1.00 0.00 C ATOM 51 O SER A 6 -8.006 21.878 -2.836 1.00 0.00 O ATOM 52 CB SER A 6 -9.821 20.173 -5.134 1.00 0.00 C ATOM 53 OG SER A 6 -8.906 19.765 -6.136 1.00 0.00 O ATOM 0 H SER A 6 -9.269 22.172 -6.674 1.00 0.00 H new ATOM 0 HA SER A 6 -10.266 21.891 -3.922 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.761 19.493 -4.284 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.839 20.112 -5.520 1.00 0.00 H new ATOM 0 HG SER A 6 -9.112 18.848 -6.413 1.00 0.00 H new ATOM 59 N GLY A 7 -7.115 21.499 -4.867 1.00 0.00 N ATOM 60 CA GLY A 7 -5.751 21.546 -4.373 1.00 0.00 C ATOM 61 C GLY A 7 -4.742 21.100 -5.413 1.00 0.00 C ATOM 62 O GLY A 7 -5.112 20.719 -6.524 1.00 0.00 O ATOM 0 H GLY A 7 -7.203 21.327 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.517 22.563 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.665 20.910 -3.492 1.00 0.00 H new ATOM 66 N PHE A 8 -3.464 21.149 -5.055 1.00 0.00 N ATOM 67 CA PHE A 8 -2.398 20.750 -5.966 1.00 0.00 C ATOM 68 C PHE A 8 -1.558 19.628 -5.363 1.00 0.00 C ATOM 69 O PHE A 8 -0.329 19.698 -5.344 1.00 0.00 O ATOM 70 CB PHE A 8 -1.506 21.948 -6.299 1.00 0.00 C ATOM 71 CG PHE A 8 -1.963 22.719 -7.503 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.059 23.564 -7.427 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.296 22.601 -8.712 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.481 24.275 -8.535 1.00 0.00 C ATOM 75 CE2 PHE A 8 -1.714 23.309 -9.823 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.808 24.148 -9.734 1.00 0.00 C ATOM 0 H PHE A 8 -3.141 21.461 -4.139 1.00 0.00 H new ATOM 0 HA PHE A 8 -2.858 20.383 -6.883 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -1.475 22.617 -5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.488 21.597 -6.467 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.589 23.668 -6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.439 21.948 -8.787 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.337 24.930 -8.463 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.186 23.206 -10.760 1.00 0.00 H new ATOM 0 HZ PHE A 8 -3.136 24.703 -10.600 1.00 0.00 H new ATOM 86 N LYS A 9 -2.231 18.594 -4.869 1.00 0.00 N ATOM 87 CA LYS A 9 -1.549 17.456 -4.264 1.00 0.00 C ATOM 88 C LYS A 9 -2.268 16.152 -4.596 1.00 0.00 C ATOM 89 O LYS A 9 -3.479 16.138 -4.815 1.00 0.00 O ATOM 90 CB LYS A 9 -1.464 17.632 -2.747 1.00 0.00 C ATOM 91 CG LYS A 9 -0.539 16.637 -2.069 1.00 0.00 C ATOM 92 CD LYS A 9 -0.480 16.863 -0.567 1.00 0.00 C ATOM 93 CE LYS A 9 0.451 18.013 -0.213 1.00 0.00 C ATOM 94 NZ LYS A 9 0.226 18.500 1.176 1.00 0.00 N ATOM 0 H LYS A 9 -3.248 18.521 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.540 17.409 -4.674 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.121 18.643 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.463 17.534 -2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.883 15.623 -2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.462 16.724 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.481 17.074 -0.190 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.139 15.953 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.486 17.689 -0.321 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.299 18.833 -0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.879 19.283 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.755 18.833 1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.396 17.724 1.848 1.00 0.00 H new ATOM 108 N VAL A 10 -1.514 15.057 -4.630 1.00 0.00 N ATOM 109 CA VAL A 10 -2.080 13.748 -4.932 1.00 0.00 C ATOM 110 C VAL A 10 -1.711 12.729 -3.860 1.00 0.00 C ATOM 111 O VAL A 10 -0.571 12.661 -3.400 1.00 0.00 O ATOM 112 CB VAL A 10 -1.602 13.232 -6.302 1.00 0.00 C ATOM 113 CG1 VAL A 10 -0.083 13.172 -6.349 1.00 0.00 C ATOM 114 CG2 VAL A 10 -2.208 11.869 -6.598 1.00 0.00 C ATOM 0 H VAL A 10 -0.510 15.051 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.163 13.870 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.938 13.928 -7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.237 12.805 -7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.326 14.169 -6.184 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.279 12.499 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.860 11.519 -7.570 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.904 11.161 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.295 11.949 -6.609 1.00 0.00 H new ATOM 124 N PRO A 11 -2.696 11.916 -3.451 1.00 0.00 N ATOM 125 CA PRO A 11 -2.498 10.884 -2.429 1.00 0.00 C ATOM 126 C PRO A 11 -1.625 9.737 -2.925 1.00 0.00 C ATOM 127 O PRO A 11 -1.523 9.476 -4.124 1.00 0.00 O ATOM 128 CB PRO A 11 -3.919 10.390 -2.144 1.00 0.00 C ATOM 129 CG PRO A 11 -4.679 10.684 -3.391 1.00 0.00 C ATOM 130 CD PRO A 11 -4.079 11.942 -3.956 1.00 0.00 C ATOM 0 HA PRO A 11 -1.983 11.274 -1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.929 9.324 -1.916 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.352 10.904 -1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.598 9.860 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.740 10.819 -3.179 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.109 11.948 -5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.614 12.830 -3.618 1.00 0.00 H new ATOM 138 N PRO A 12 -0.980 9.034 -1.983 1.00 0.00 N ATOM 139 CA PRO A 12 -0.104 7.902 -2.301 1.00 0.00 C ATOM 140 C PRO A 12 -0.882 6.693 -2.810 1.00 0.00 C ATOM 141 O PRO A 12 -0.294 5.712 -3.268 1.00 0.00 O ATOM 142 CB PRO A 12 0.564 7.582 -0.961 1.00 0.00 C ATOM 143 CG PRO A 12 -0.392 8.080 0.067 1.00 0.00 C ATOM 144 CD PRO A 12 -1.055 9.289 -0.535 1.00 0.00 C ATOM 0 HA PRO A 12 0.601 8.143 -3.097 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.740 6.512 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.532 8.075 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.128 7.316 0.318 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.127 8.339 0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.087 9.391 -0.198 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.538 10.209 -0.262 1.00 0.00 H new ATOM 152 N PHE A 13 -2.206 6.769 -2.727 1.00 0.00 N ATOM 153 CA PHE A 13 -3.064 5.680 -3.179 1.00 0.00 C ATOM 154 C PHE A 13 -4.015 6.155 -4.273 1.00 0.00 C ATOM 155 O PHE A 13 -4.986 5.475 -4.604 1.00 0.00 O ATOM 156 CB PHE A 13 -3.863 5.111 -2.005 1.00 0.00 C ATOM 157 CG PHE A 13 -3.001 4.560 -0.905 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.851 3.846 -1.200 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.343 4.754 0.424 1.00 0.00 C ATOM 160 CE1 PHE A 13 -1.056 3.338 -0.190 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.551 4.249 1.438 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.407 3.539 1.131 1.00 0.00 C ATOM 0 H PHE A 13 -2.708 7.573 -2.351 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.428 4.896 -3.590 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.502 5.894 -1.597 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.520 4.322 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.573 3.685 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.238 5.306 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.161 2.784 -0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.827 4.410 2.470 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.788 3.142 1.922 1.00 0.00 H new ATOM 172 N GLN A 14 -3.728 7.328 -4.830 1.00 0.00 N ATOM 173 CA GLN A 14 -4.559 7.895 -5.886 1.00 0.00 C ATOM 174 C GLN A 14 -4.941 6.831 -6.909 1.00 0.00 C ATOM 175 O GLN A 14 -4.076 6.230 -7.547 1.00 0.00 O ATOM 176 CB GLN A 14 -3.826 9.045 -6.578 1.00 0.00 C ATOM 177 CG GLN A 14 -4.611 9.667 -7.721 1.00 0.00 C ATOM 178 CD GLN A 14 -3.719 10.347 -8.741 1.00 0.00 C ATOM 179 OE1 GLN A 14 -2.655 9.835 -9.092 1.00 0.00 O ATOM 180 NE2 GLN A 14 -4.147 11.508 -9.223 1.00 0.00 N ATOM 0 H GLN A 14 -2.927 7.903 -4.568 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.472 8.278 -5.429 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.600 9.816 -5.842 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.873 8.680 -6.960 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -5.198 8.894 -8.216 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.316 10.394 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.035 11.896 -8.905 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.588 12.012 -9.912 1.00 0.00 H new ATOM 189 N ASP A 15 -6.241 6.603 -7.060 1.00 0.00 N ATOM 190 CA ASP A 15 -6.738 5.611 -8.007 1.00 0.00 C ATOM 191 C ASP A 15 -6.002 4.285 -7.841 1.00 0.00 C ATOM 192 O ASP A 15 -5.678 3.617 -8.824 1.00 0.00 O ATOM 193 CB ASP A 15 -6.582 6.120 -9.440 1.00 0.00 C ATOM 194 CG ASP A 15 -7.551 7.240 -9.766 1.00 0.00 C ATOM 195 OD1 ASP A 15 -8.761 6.959 -9.891 1.00 0.00 O ATOM 196 OD2 ASP A 15 -7.099 8.397 -9.896 1.00 0.00 O ATOM 0 H ASP A 15 -6.970 7.091 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.796 5.447 -7.802 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.561 6.472 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.738 5.295 -10.135 1.00 0.00 H new ATOM 201 N CYS A 16 -5.740 3.911 -6.594 1.00 0.00 N ATOM 202 CA CYS A 16 -5.040 2.666 -6.300 1.00 0.00 C ATOM 203 C CYS A 16 -5.743 1.896 -5.187 1.00 0.00 C ATOM 204 O CYS A 16 -5.849 2.377 -4.058 1.00 0.00 O ATOM 205 CB CYS A 16 -3.591 2.953 -5.902 1.00 0.00 C ATOM 206 SG CYS A 16 -2.646 3.850 -7.155 1.00 0.00 S ATOM 0 H CYS A 16 -6.002 4.452 -5.770 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.047 2.053 -7.201 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.587 3.530 -4.977 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.089 2.009 -5.691 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.120 5.055 -7.276 1.00 0.00 H new ATOM 212 N ILE A 17 -6.223 0.701 -5.512 1.00 0.00 N ATOM 213 CA ILE A 17 -6.917 -0.134 -4.540 1.00 0.00 C ATOM 214 C ILE A 17 -5.953 -1.098 -3.857 1.00 0.00 C ATOM 215 O ILE A 17 -5.123 -1.731 -4.511 1.00 0.00 O ATOM 216 CB ILE A 17 -8.052 -0.941 -5.198 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.970 -0.013 -5.996 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.843 -1.699 -4.144 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.617 -0.682 -7.189 1.00 0.00 C ATOM 0 H ILE A 17 -6.144 0.289 -6.442 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.345 0.538 -3.796 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.613 -1.665 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.750 0.368 -5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.394 0.847 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.641 -2.264 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.181 -2.384 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.275 -0.992 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.254 0.035 -7.707 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.844 -1.039 -7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.220 -1.525 -6.851 1.00 0.00 H new ATOM 231 N LEU A 18 -6.070 -1.207 -2.538 1.00 0.00 N ATOM 232 CA LEU A 18 -5.210 -2.096 -1.765 1.00 0.00 C ATOM 233 C LEU A 18 -6.017 -3.236 -1.150 1.00 0.00 C ATOM 234 O LEU A 18 -7.169 -3.052 -0.756 1.00 0.00 O ATOM 235 CB LEU A 18 -4.492 -1.314 -0.664 1.00 0.00 C ATOM 236 CG LEU A 18 -3.510 -0.240 -1.135 1.00 0.00 C ATOM 237 CD1 LEU A 18 -2.328 -0.875 -1.852 1.00 0.00 C ATOM 238 CD2 LEU A 18 -4.210 0.762 -2.041 1.00 0.00 C ATOM 0 H LEU A 18 -6.752 -0.691 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.469 -2.523 -2.442 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.244 -0.839 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.951 -2.022 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.135 0.291 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.640 -0.096 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.811 -1.553 -1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.685 -1.432 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.496 1.519 -2.367 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.613 0.245 -2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.023 1.241 -1.495 1.00 0.00 H new ATOM 250 N SER A 19 -5.404 -4.412 -1.070 1.00 0.00 N ATOM 251 CA SER A 19 -6.066 -5.582 -0.505 1.00 0.00 C ATOM 252 C SER A 19 -5.201 -6.228 0.574 1.00 0.00 C ATOM 253 O SER A 19 -4.014 -6.480 0.365 1.00 0.00 O ATOM 254 CB SER A 19 -6.374 -6.601 -1.604 1.00 0.00 C ATOM 255 OG SER A 19 -5.421 -6.526 -2.650 1.00 0.00 O ATOM 0 H SER A 19 -4.450 -4.580 -1.389 1.00 0.00 H new ATOM 0 HA SER A 19 -7.001 -5.255 -0.050 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.377 -7.606 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.372 -6.420 -2.003 1.00 0.00 H new ATOM 0 HG SER A 19 -5.639 -7.188 -3.339 1.00 0.00 H new ATOM 261 N PHE A 20 -5.805 -6.492 1.728 1.00 0.00 N ATOM 262 CA PHE A 20 -5.091 -7.107 2.841 1.00 0.00 C ATOM 263 C PHE A 20 -5.583 -8.531 3.082 1.00 0.00 C ATOM 264 O PHE A 20 -6.784 -8.770 3.220 1.00 0.00 O ATOM 265 CB PHE A 20 -5.267 -6.272 4.111 1.00 0.00 C ATOM 266 CG PHE A 20 -5.168 -4.792 3.874 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.979 -4.223 3.445 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.264 -3.969 4.080 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.885 -2.862 3.226 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.175 -2.607 3.862 1.00 0.00 C ATOM 271 CZ PHE A 20 -4.984 -2.053 3.435 1.00 0.00 C ATOM 0 H PHE A 20 -6.787 -6.290 1.917 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.032 -7.146 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.238 -6.497 4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.510 -6.567 4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.116 -4.851 3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.198 -4.397 4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.953 -2.431 2.892 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -7.036 -1.976 4.025 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.913 -0.989 3.265 1.00 0.00 H new ATOM 281 N LEU A 21 -4.648 -9.473 3.133 1.00 0.00 N ATOM 282 CA LEU A 21 -4.986 -10.874 3.357 1.00 0.00 C ATOM 283 C LEU A 21 -4.102 -11.480 4.443 1.00 0.00 C ATOM 284 O LEU A 21 -2.910 -11.704 4.234 1.00 0.00 O ATOM 285 CB LEU A 21 -4.836 -11.670 2.059 1.00 0.00 C ATOM 286 CG LEU A 21 -4.602 -13.172 2.216 1.00 0.00 C ATOM 287 CD1 LEU A 21 -5.899 -13.881 2.573 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.007 -13.755 0.942 1.00 0.00 C ATOM 0 H LEU A 21 -3.650 -9.292 3.022 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.023 -10.923 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.735 -11.523 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.004 -11.250 1.493 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.893 -13.326 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.712 -14.949 2.681 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.284 -13.484 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.632 -13.719 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.847 -14.825 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.693 -13.589 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.055 -13.269 0.730 1.00 0.00 H new ATOM 300 N GLY A 22 -4.695 -11.745 5.603 1.00 0.00 N ATOM 301 CA GLY A 22 -3.947 -12.324 6.703 1.00 0.00 C ATOM 302 C GLY A 22 -4.245 -11.646 8.026 1.00 0.00 C ATOM 303 O GLY A 22 -4.585 -12.307 9.008 1.00 0.00 O ATOM 0 H GLY A 22 -5.680 -11.569 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.183 -13.385 6.781 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.880 -12.250 6.492 1.00 0.00 H new ATOM 307 N PHE A 23 -4.114 -10.324 8.055 1.00 0.00 N ATOM 308 CA PHE A 23 -4.368 -9.557 9.269 1.00 0.00 C ATOM 309 C PHE A 23 -5.761 -9.853 9.817 1.00 0.00 C ATOM 310 O PHE A 23 -6.663 -10.242 9.075 1.00 0.00 O ATOM 311 CB PHE A 23 -4.225 -8.059 8.990 1.00 0.00 C ATOM 312 CG PHE A 23 -3.110 -7.731 8.038 1.00 0.00 C ATOM 313 CD1 PHE A 23 -3.328 -7.725 6.670 1.00 0.00 C ATOM 314 CD2 PHE A 23 -1.844 -7.427 8.512 1.00 0.00 C ATOM 315 CE1 PHE A 23 -2.305 -7.423 5.792 1.00 0.00 C ATOM 316 CE2 PHE A 23 -0.817 -7.124 7.639 1.00 0.00 C ATOM 317 CZ PHE A 23 -1.047 -7.123 6.277 1.00 0.00 C ATOM 0 H PHE A 23 -3.833 -9.761 7.252 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.632 -9.852 10.017 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.163 -7.682 8.582 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.054 -7.537 9.931 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.310 -7.959 6.285 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.658 -7.427 9.576 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.489 -7.421 4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.165 -6.888 8.021 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.245 -6.888 5.593 1.00 0.00 H new ATOM 327 N SER A 24 -5.929 -9.666 11.122 1.00 0.00 N ATOM 328 CA SER A 24 -7.210 -9.917 11.772 1.00 0.00 C ATOM 329 C SER A 24 -8.220 -8.830 11.419 1.00 0.00 C ATOM 330 O SER A 24 -7.860 -7.665 11.246 1.00 0.00 O ATOM 331 CB SER A 24 -7.030 -9.988 13.290 1.00 0.00 C ATOM 332 OG SER A 24 -6.353 -11.174 13.668 1.00 0.00 O ATOM 0 H SER A 24 -5.194 -9.341 11.750 1.00 0.00 H new ATOM 0 HA SER A 24 -7.591 -10.873 11.413 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.468 -9.119 13.634 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.004 -9.951 13.777 1.00 0.00 H new ATOM 0 HG SER A 24 -6.249 -11.195 14.642 1.00 0.00 H new ATOM 338 N ASP A 25 -9.486 -9.219 11.314 1.00 0.00 N ATOM 339 CA ASP A 25 -10.550 -8.279 10.982 1.00 0.00 C ATOM 340 C ASP A 25 -10.300 -6.923 11.634 1.00 0.00 C ATOM 341 O ASP A 25 -10.589 -5.880 11.049 1.00 0.00 O ATOM 342 CB ASP A 25 -11.905 -8.831 11.428 1.00 0.00 C ATOM 343 CG ASP A 25 -12.360 -10.002 10.579 1.00 0.00 C ATOM 344 OD1 ASP A 25 -11.734 -11.079 10.669 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.343 -9.842 9.826 1.00 0.00 O ATOM 0 H ASP A 25 -9.800 -10.179 11.454 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.559 -8.146 9.900 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.841 -9.144 12.470 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.651 -8.038 11.378 1.00 0.00 H new ATOM 350 N GLU A 26 -9.762 -6.947 12.850 1.00 0.00 N ATOM 351 CA GLU A 26 -9.476 -5.718 13.582 1.00 0.00 C ATOM 352 C GLU A 26 -8.324 -4.955 12.933 1.00 0.00 C ATOM 353 O GLU A 26 -8.490 -3.817 12.495 1.00 0.00 O ATOM 354 CB GLU A 26 -9.135 -6.035 15.039 1.00 0.00 C ATOM 355 CG GLU A 26 -10.280 -6.674 15.807 1.00 0.00 C ATOM 356 CD GLU A 26 -11.506 -5.784 15.875 1.00 0.00 C ATOM 357 OE1 GLU A 26 -11.356 -4.556 15.707 1.00 0.00 O ATOM 358 OE2 GLU A 26 -12.614 -6.315 16.097 1.00 0.00 O ATOM 0 H GLU A 26 -9.516 -7.802 13.348 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.367 -5.091 13.553 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.274 -6.703 15.065 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.840 -5.115 15.543 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.547 -7.619 15.334 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.948 -6.907 16.819 1.00 0.00 H new ATOM 365 N GLU A 27 -7.158 -5.590 12.877 1.00 0.00 N ATOM 366 CA GLU A 27 -5.979 -4.970 12.284 1.00 0.00 C ATOM 367 C GLU A 27 -6.276 -4.478 10.870 1.00 0.00 C ATOM 368 O GLU A 27 -5.806 -3.418 10.457 1.00 0.00 O ATOM 369 CB GLU A 27 -4.813 -5.960 12.257 1.00 0.00 C ATOM 370 CG GLU A 27 -3.948 -5.917 13.506 1.00 0.00 C ATOM 371 CD GLU A 27 -3.631 -4.501 13.946 1.00 0.00 C ATOM 372 OE1 GLU A 27 -3.320 -3.663 13.074 1.00 0.00 O ATOM 373 OE2 GLU A 27 -3.694 -4.231 15.164 1.00 0.00 O ATOM 0 H GLU A 27 -7.004 -6.533 13.235 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.704 -4.113 12.898 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.207 -6.969 12.133 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.190 -5.751 11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.458 -6.440 14.315 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.017 -6.452 13.318 1.00 0.00 H new ATOM 380 N LYS A 28 -7.060 -5.257 10.132 1.00 0.00 N ATOM 381 CA LYS A 28 -7.422 -4.903 8.765 1.00 0.00 C ATOM 382 C LYS A 28 -8.275 -3.639 8.737 1.00 0.00 C ATOM 383 O LYS A 28 -7.923 -2.690 8.038 1.00 0.00 O ATOM 384 CB LYS A 28 -8.178 -6.056 8.101 1.00 0.00 C ATOM 385 CG LYS A 28 -8.197 -5.978 6.584 1.00 0.00 C ATOM 386 CD LYS A 28 -9.472 -6.574 6.011 1.00 0.00 C ATOM 387 CE LYS A 28 -9.582 -8.058 6.323 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.389 -8.781 5.301 1.00 0.00 N ATOM 0 H LYS A 28 -7.457 -6.138 10.458 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.503 -4.712 8.211 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.722 -6.999 8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.204 -6.066 8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.108 -4.938 6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.334 -6.507 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.336 -6.050 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.491 -6.426 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.584 -8.494 6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.037 -8.190 7.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.441 -9.790 5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.349 -8.382 5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.942 -8.677 4.368 1.00 0.00 H new ATOM 402 N HIS A 29 -9.365 -3.652 9.490 1.00 0.00 N ATOM 403 CA HIS A 29 -10.252 -2.503 9.543 1.00 0.00 C ATOM 404 C HIS A 29 -9.427 -1.215 9.486 1.00 0.00 C ATOM 405 O HIS A 29 -9.601 -0.367 8.611 1.00 0.00 O ATOM 406 CB HIS A 29 -11.158 -2.572 10.774 1.00 0.00 C ATOM 407 CG HIS A 29 -12.160 -1.446 10.863 1.00 0.00 C ATOM 408 ND1 HIS A 29 -13.434 -1.614 11.378 1.00 0.00 N ATOM 409 CD2 HIS A 29 -12.062 -0.135 10.499 1.00 0.00 C ATOM 410 CE1 HIS A 29 -14.065 -0.451 11.321 1.00 0.00 C ATOM 411 NE2 HIS A 29 -13.214 0.464 10.775 1.00 0.00 N ATOM 0 H HIS A 29 -9.654 -4.441 10.069 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.913 -2.509 8.676 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.694 -3.521 10.766 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.537 -2.564 11.670 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.194 0.336 10.061 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.076 -0.261 11.649 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.428 1.447 10.606 1.00 0.00 H new ATOM 419 N SER A 30 -8.518 -1.087 10.448 1.00 0.00 N ATOM 420 CA SER A 30 -7.656 0.085 10.533 1.00 0.00 C ATOM 421 C SER A 30 -6.959 0.345 9.201 1.00 0.00 C ATOM 422 O SER A 30 -6.799 1.493 8.786 1.00 0.00 O ATOM 423 CB SER A 30 -6.614 -0.101 11.638 1.00 0.00 C ATOM 424 OG SER A 30 -7.231 -0.429 12.871 1.00 0.00 O ATOM 0 H SER A 30 -8.360 -1.781 11.179 1.00 0.00 H new ATOM 0 HA SER A 30 -8.279 0.947 10.772 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.917 -0.890 11.356 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.032 0.814 11.751 1.00 0.00 H new ATOM 0 HG SER A 30 -6.544 -0.544 13.560 1.00 0.00 H new ATOM 430 N MET A 31 -6.548 -0.729 8.536 1.00 0.00 N ATOM 431 CA MET A 31 -5.869 -0.618 7.249 1.00 0.00 C ATOM 432 C MET A 31 -6.843 -0.188 6.157 1.00 0.00 C ATOM 433 O MET A 31 -6.486 0.578 5.262 1.00 0.00 O ATOM 434 CB MET A 31 -5.220 -1.952 6.874 1.00 0.00 C ATOM 435 CG MET A 31 -4.238 -2.463 7.915 1.00 0.00 C ATOM 436 SD MET A 31 -3.803 -4.196 7.667 1.00 0.00 S ATOM 437 CE MET A 31 -2.296 -4.033 6.712 1.00 0.00 C ATOM 0 H MET A 31 -6.673 -1.686 8.866 1.00 0.00 H new ATOM 0 HA MET A 31 -5.093 0.142 7.339 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.001 -2.698 6.726 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.702 -1.840 5.922 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.333 -1.857 7.883 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.670 -2.339 8.908 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.376 -4.626 5.801 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.142 -2.986 6.451 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.451 -4.387 7.302 1.00 0.00 H new ATOM 447 N GLU A 32 -8.073 -0.686 6.236 1.00 0.00 N ATOM 448 CA GLU A 32 -9.096 -0.353 5.253 1.00 0.00 C ATOM 449 C GLU A 32 -9.497 1.115 5.361 1.00 0.00 C ATOM 450 O GLU A 32 -9.441 1.858 4.381 1.00 0.00 O ATOM 451 CB GLU A 32 -10.326 -1.244 5.441 1.00 0.00 C ATOM 452 CG GLU A 32 -10.109 -2.682 5.000 1.00 0.00 C ATOM 453 CD GLU A 32 -10.215 -2.853 3.497 1.00 0.00 C ATOM 454 OE1 GLU A 32 -11.351 -2.845 2.978 1.00 0.00 O ATOM 455 OE2 GLU A 32 -9.163 -2.994 2.840 1.00 0.00 O ATOM 0 H GLU A 32 -8.385 -1.321 6.971 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.679 -0.526 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.614 -1.235 6.492 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.159 -0.822 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.126 -3.015 5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.844 -3.323 5.488 1.00 0.00 H new ATOM 462 N GLU A 33 -9.903 1.525 6.558 1.00 0.00 N ATOM 463 CA GLU A 33 -10.314 2.904 6.794 1.00 0.00 C ATOM 464 C GLU A 33 -9.232 3.880 6.342 1.00 0.00 C ATOM 465 O GLU A 33 -9.515 4.865 5.660 1.00 0.00 O ATOM 466 CB GLU A 33 -10.625 3.121 8.276 1.00 0.00 C ATOM 467 CG GLU A 33 -9.404 3.020 9.175 1.00 0.00 C ATOM 468 CD GLU A 33 -9.757 3.089 10.648 1.00 0.00 C ATOM 469 OE1 GLU A 33 -10.641 2.322 11.084 1.00 0.00 O ATOM 470 OE2 GLU A 33 -9.148 3.910 11.366 1.00 0.00 O ATOM 0 H GLU A 33 -9.956 0.922 7.379 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.215 3.092 6.210 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.079 4.104 8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.363 2.385 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.885 2.083 8.973 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.712 3.826 8.933 1.00 0.00 H new ATOM 477 N MET A 34 -7.991 3.599 6.727 1.00 0.00 N ATOM 478 CA MET A 34 -6.866 4.451 6.361 1.00 0.00 C ATOM 479 C MET A 34 -6.788 4.628 4.847 1.00 0.00 C ATOM 480 O MET A 34 -6.799 5.751 4.342 1.00 0.00 O ATOM 481 CB MET A 34 -5.557 3.857 6.885 1.00 0.00 C ATOM 482 CG MET A 34 -4.375 4.806 6.781 1.00 0.00 C ATOM 483 SD MET A 34 -4.227 5.890 8.215 1.00 0.00 S ATOM 484 CE MET A 34 -3.373 4.815 9.365 1.00 0.00 C ATOM 0 H MET A 34 -7.740 2.788 7.292 1.00 0.00 H new ATOM 0 HA MET A 34 -7.020 5.429 6.816 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.690 3.568 7.928 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.332 2.947 6.329 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.458 4.227 6.672 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.479 5.412 5.881 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.208 5.344 10.304 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.977 3.927 9.550 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.413 4.519 8.942 1.00 0.00 H new ATOM 494 N THR A 35 -6.708 3.512 4.129 1.00 0.00 N ATOM 495 CA THR A 35 -6.626 3.544 2.674 1.00 0.00 C ATOM 496 C THR A 35 -7.534 4.624 2.096 1.00 0.00 C ATOM 497 O THR A 35 -7.231 5.213 1.059 1.00 0.00 O ATOM 498 CB THR A 35 -7.009 2.185 2.060 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.138 1.161 2.553 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.931 2.236 0.541 1.00 0.00 C ATOM 0 H THR A 35 -6.698 2.575 4.532 1.00 0.00 H new ATOM 0 HA THR A 35 -5.590 3.770 2.421 1.00 0.00 H new ATOM 0 HB THR A 35 -8.035 1.958 2.348 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.347 0.978 3.493 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.206 1.265 0.130 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.617 2.996 0.167 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.914 2.484 0.237 1.00 0.00 H new ATOM 508 N GLU A 36 -8.649 4.879 2.774 1.00 0.00 N ATOM 509 CA GLU A 36 -9.601 5.889 2.327 1.00 0.00 C ATOM 510 C GLU A 36 -9.122 7.290 2.696 1.00 0.00 C ATOM 511 O GLU A 36 -8.812 8.101 1.824 1.00 0.00 O ATOM 512 CB GLU A 36 -10.978 5.631 2.940 1.00 0.00 C ATOM 513 CG GLU A 36 -11.863 4.731 2.093 1.00 0.00 C ATOM 514 CD GLU A 36 -12.468 5.457 0.907 1.00 0.00 C ATOM 515 OE1 GLU A 36 -11.818 6.387 0.385 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.592 5.095 0.501 1.00 0.00 O ATOM 0 H GLU A 36 -8.915 4.400 3.634 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.677 5.824 1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.850 5.179 3.923 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.483 6.585 3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.277 3.884 1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.663 4.326 2.713 1.00 0.00 H new ATOM 523 N MET A 37 -9.064 7.566 3.995 1.00 0.00 N ATOM 524 CA MET A 37 -8.622 8.868 4.480 1.00 0.00 C ATOM 525 C MET A 37 -7.440 9.380 3.664 1.00 0.00 C ATOM 526 O MET A 37 -7.347 10.571 3.370 1.00 0.00 O ATOM 527 CB MET A 37 -8.237 8.781 5.958 1.00 0.00 C ATOM 528 CG MET A 37 -6.799 8.345 6.187 1.00 0.00 C ATOM 529 SD MET A 37 -6.294 8.494 7.912 1.00 0.00 S ATOM 530 CE MET A 37 -7.665 7.689 8.737 1.00 0.00 C ATOM 0 H MET A 37 -9.317 6.906 4.730 1.00 0.00 H new ATOM 0 HA MET A 37 -9.449 9.569 4.368 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.391 9.755 6.423 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.905 8.080 6.458 1.00 0.00 H new ATOM 0 HG2 MET A 37 -6.682 7.310 5.866 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.137 8.948 5.565 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.325 7.273 9.685 1.00 0.00 H new ATOM 0 HE2 MET A 37 -8.456 8.416 8.922 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.050 6.888 8.106 1.00 0.00 H new ATOM 540 N GLN A 38 -6.539 8.472 3.302 1.00 0.00 N ATOM 541 CA GLN A 38 -5.362 8.834 2.520 1.00 0.00 C ATOM 542 C GLN A 38 -5.760 9.313 1.128 1.00 0.00 C ATOM 543 O GLN A 38 -5.347 10.386 0.688 1.00 0.00 O ATOM 544 CB GLN A 38 -4.411 7.641 2.409 1.00 0.00 C ATOM 545 CG GLN A 38 -3.893 7.149 3.751 1.00 0.00 C ATOM 546 CD GLN A 38 -3.192 8.237 4.540 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.704 9.215 3.973 1.00 0.00 O ATOM 548 NE2 GLN A 38 -3.138 8.073 5.857 1.00 0.00 N ATOM 0 H GLN A 38 -6.601 7.481 3.537 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.852 9.649 3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.925 6.823 1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.564 7.919 1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.726 6.760 4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.203 6.321 3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.556 7.247 6.286 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.679 8.773 6.440 1.00 0.00 H new ATOM 557 N GLY A 39 -6.565 8.511 0.438 1.00 0.00 N ATOM 558 CA GLY A 39 -7.004 8.871 -0.897 1.00 0.00 C ATOM 559 C GLY A 39 -7.084 7.673 -1.823 1.00 0.00 C ATOM 560 O GLY A 39 -6.781 7.777 -3.011 1.00 0.00 O ATOM 0 H GLY A 39 -6.921 7.618 0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.983 9.347 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.317 9.606 -1.317 1.00 0.00 H new ATOM 564 N GLY A 40 -7.493 6.531 -1.278 1.00 0.00 N ATOM 565 CA GLY A 40 -7.603 5.325 -2.078 1.00 0.00 C ATOM 566 C GLY A 40 -8.768 4.453 -1.654 1.00 0.00 C ATOM 567 O GLY A 40 -9.352 4.659 -0.590 1.00 0.00 O ATOM 0 H GLY A 40 -7.750 6.420 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.720 5.598 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.678 4.754 -1.998 1.00 0.00 H new ATOM 571 N SER A 41 -9.108 3.476 -2.488 1.00 0.00 N ATOM 572 CA SER A 41 -10.215 2.573 -2.197 1.00 0.00 C ATOM 573 C SER A 41 -9.700 1.197 -1.784 1.00 0.00 C ATOM 574 O SER A 41 -8.523 0.884 -1.964 1.00 0.00 O ATOM 575 CB SER A 41 -11.129 2.442 -3.417 1.00 0.00 C ATOM 576 OG SER A 41 -11.947 3.590 -3.567 1.00 0.00 O ATOM 0 H SER A 41 -8.633 3.289 -3.371 1.00 0.00 H new ATOM 0 HA SER A 41 -10.785 2.993 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.526 2.302 -4.314 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.756 1.556 -3.313 1.00 0.00 H new ATOM 0 HG SER A 41 -12.520 3.482 -4.354 1.00 0.00 H new ATOM 582 N TYR A 42 -10.589 0.381 -1.230 1.00 0.00 N ATOM 583 CA TYR A 42 -10.225 -0.960 -0.789 1.00 0.00 C ATOM 584 C TYR A 42 -11.274 -1.980 -1.221 1.00 0.00 C ATOM 585 O TYR A 42 -12.476 -1.754 -1.070 1.00 0.00 O ATOM 586 CB TYR A 42 -10.062 -0.993 0.732 1.00 0.00 C ATOM 587 CG TYR A 42 -11.198 -0.329 1.477 1.00 0.00 C ATOM 588 CD1 TYR A 42 -12.422 -0.968 1.631 1.00 0.00 C ATOM 589 CD2 TYR A 42 -11.047 0.938 2.028 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.463 -0.365 2.310 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.082 1.548 2.710 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.288 0.893 2.848 1.00 0.00 C ATOM 593 OH TYR A 42 -14.322 1.496 3.527 1.00 0.00 O ATOM 0 H TYR A 42 -11.567 0.625 -1.075 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.276 -1.223 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.982 -2.030 1.058 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -9.127 -0.501 1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -12.562 -1.954 1.212 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.105 1.454 1.921 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -14.408 -0.876 2.419 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.948 2.533 3.133 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.035 2.378 3.844 1.00 0.00 H new ATOM 603 N LEU A 43 -10.811 -3.102 -1.760 1.00 0.00 N ATOM 604 CA LEU A 43 -11.709 -4.159 -2.214 1.00 0.00 C ATOM 605 C LEU A 43 -11.346 -5.495 -1.573 1.00 0.00 C ATOM 606 O LEU A 43 -10.214 -5.718 -1.143 1.00 0.00 O ATOM 607 CB LEU A 43 -11.654 -4.281 -3.738 1.00 0.00 C ATOM 608 CG LEU A 43 -12.441 -3.232 -4.524 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.783 -2.968 -5.869 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.884 -3.679 -4.712 1.00 0.00 C ATOM 0 H LEU A 43 -9.820 -3.304 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.723 -3.895 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.610 -4.232 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.023 -5.268 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.441 -2.303 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.357 -2.219 -6.414 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.768 -2.604 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.752 -3.892 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.430 -2.921 -5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.905 -4.621 -5.260 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.352 -3.816 -3.737 1.00 0.00 H new ATOM 622 N PRO A 44 -12.328 -6.405 -1.507 1.00 0.00 N ATOM 623 CA PRO A 44 -12.136 -7.736 -0.922 1.00 0.00 C ATOM 624 C PRO A 44 -11.239 -8.622 -1.779 1.00 0.00 C ATOM 625 O PRO A 44 -11.391 -8.681 -2.999 1.00 0.00 O ATOM 626 CB PRO A 44 -13.555 -8.307 -0.866 1.00 0.00 C ATOM 627 CG PRO A 44 -14.296 -7.587 -1.939 1.00 0.00 C ATOM 628 CD PRO A 44 -13.702 -6.207 -1.998 1.00 0.00 C ATOM 0 HA PRO A 44 -11.643 -7.687 0.049 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.556 -9.383 -1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.011 -8.140 0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.191 -8.098 -2.896 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.362 -7.544 -1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.713 -5.808 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.254 -5.505 -1.374 1.00 0.00 H new ATOM 636 N VAL A 45 -10.303 -9.310 -1.132 1.00 0.00 N ATOM 637 CA VAL A 45 -9.382 -10.195 -1.835 1.00 0.00 C ATOM 638 C VAL A 45 -10.108 -11.012 -2.898 1.00 0.00 C ATOM 639 O VAL A 45 -11.229 -11.471 -2.684 1.00 0.00 O ATOM 640 CB VAL A 45 -8.671 -11.154 -0.862 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.688 -12.042 -1.609 1.00 0.00 C ATOM 642 CG2 VAL A 45 -7.967 -10.372 0.237 1.00 0.00 C ATOM 0 H VAL A 45 -10.163 -9.271 -0.122 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.638 -9.560 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.421 -11.794 -0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.196 -12.713 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.223 -12.629 -2.356 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.940 -11.422 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.470 -11.065 0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.227 -9.706 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.699 -9.784 0.791 1.00 0.00 H new ATOM 652 N GLY A 46 -9.460 -11.191 -4.045 1.00 0.00 N ATOM 653 CA GLY A 46 -10.059 -11.954 -5.124 1.00 0.00 C ATOM 654 C GLY A 46 -10.463 -11.082 -6.296 1.00 0.00 C ATOM 655 O GLY A 46 -10.191 -11.415 -7.450 1.00 0.00 O ATOM 0 H GLY A 46 -8.531 -10.821 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.353 -12.711 -5.465 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.936 -12.482 -4.749 1.00 0.00 H new ATOM 659 N ASP A 47 -11.114 -9.962 -6.002 1.00 0.00 N ATOM 660 CA ASP A 47 -11.557 -9.039 -7.040 1.00 0.00 C ATOM 661 C ASP A 47 -10.368 -8.489 -7.821 1.00 0.00 C ATOM 662 O ASP A 47 -9.548 -7.748 -7.280 1.00 0.00 O ATOM 663 CB ASP A 47 -12.355 -7.889 -6.424 1.00 0.00 C ATOM 664 CG ASP A 47 -13.377 -7.313 -7.384 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.985 -6.922 -8.504 1.00 0.00 O ATOM 666 OD2 ASP A 47 -14.569 -7.255 -7.017 1.00 0.00 O ATOM 0 H ASP A 47 -11.347 -9.671 -5.052 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.199 -9.587 -7.729 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.863 -8.243 -5.527 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.669 -7.101 -6.112 1.00 0.00 H new ATOM 671 N GLU A 48 -10.282 -8.858 -9.096 1.00 0.00 N ATOM 672 CA GLU A 48 -9.191 -8.402 -9.950 1.00 0.00 C ATOM 673 C GLU A 48 -9.106 -6.878 -9.957 1.00 0.00 C ATOM 674 O GLU A 48 -8.028 -6.307 -10.119 1.00 0.00 O ATOM 675 CB GLU A 48 -9.381 -8.920 -11.377 1.00 0.00 C ATOM 676 CG GLU A 48 -10.622 -8.374 -12.063 1.00 0.00 C ATOM 677 CD GLU A 48 -11.043 -9.208 -13.257 1.00 0.00 C ATOM 678 OE1 GLU A 48 -11.245 -10.429 -13.088 1.00 0.00 O ATOM 679 OE2 GLU A 48 -11.172 -8.639 -14.361 1.00 0.00 O ATOM 0 H GLU A 48 -10.954 -9.470 -9.559 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.259 -8.799 -9.548 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.504 -8.658 -11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.438 -10.008 -11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.441 -8.334 -11.345 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.433 -7.351 -12.388 1.00 0.00 H new ATOM 686 N ARG A 49 -10.252 -6.227 -9.782 1.00 0.00 N ATOM 687 CA ARG A 49 -10.308 -4.770 -9.770 1.00 0.00 C ATOM 688 C ARG A 49 -9.143 -4.188 -8.975 1.00 0.00 C ATOM 689 O ARG A 49 -8.671 -3.087 -9.263 1.00 0.00 O ATOM 690 CB ARG A 49 -11.634 -4.295 -9.174 1.00 0.00 C ATOM 691 CG ARG A 49 -12.831 -4.542 -10.078 1.00 0.00 C ATOM 692 CD ARG A 49 -14.124 -4.068 -9.432 1.00 0.00 C ATOM 693 NE ARG A 49 -15.286 -4.794 -9.937 1.00 0.00 N ATOM 694 CZ ARG A 49 -16.524 -4.314 -9.904 1.00 0.00 C ATOM 695 NH1 ARG A 49 -16.759 -3.113 -9.394 1.00 0.00 N ATOM 696 NH2 ARG A 49 -17.530 -5.035 -10.383 1.00 0.00 N ATOM 0 H ARG A 49 -11.153 -6.685 -9.647 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.234 -4.420 -10.799 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.797 -4.801 -8.223 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.565 -3.228 -8.960 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.685 -4.024 -11.026 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.904 -5.606 -10.304 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.058 -4.196 -8.352 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.253 -3.002 -9.619 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.139 -5.721 -10.337 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.988 -2.556 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.711 -2.746 -9.370 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.353 -5.959 -10.777 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.480 -4.665 -10.357 1.00 0.00 H new ATOM 710 N CYS A 50 -8.685 -4.932 -7.974 1.00 0.00 N ATOM 711 CA CYS A 50 -7.576 -4.489 -7.136 1.00 0.00 C ATOM 712 C CYS A 50 -6.296 -4.355 -7.955 1.00 0.00 C ATOM 713 O CYS A 50 -6.068 -5.111 -8.900 1.00 0.00 O ATOM 714 CB CYS A 50 -7.358 -5.469 -5.983 1.00 0.00 C ATOM 715 SG CYS A 50 -8.880 -5.984 -5.154 1.00 0.00 S ATOM 0 H CYS A 50 -9.065 -5.845 -7.723 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.829 -3.510 -6.728 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.847 -6.353 -6.364 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.695 -5.009 -5.250 1.00 0.00 H new ATOM 0 HG CYS A 50 -9.491 -6.872 -5.881 1.00 0.00 H new ATOM 721 N THR A 51 -5.464 -3.386 -7.587 1.00 0.00 N ATOM 722 CA THR A 51 -4.208 -3.151 -8.288 1.00 0.00 C ATOM 723 C THR A 51 -3.015 -3.562 -7.433 1.00 0.00 C ATOM 724 O THR A 51 -2.019 -4.037 -7.978 1.00 0.00 O ATOM 725 CB THR A 51 -4.055 -1.670 -8.684 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.058 -0.847 -7.513 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.178 -1.240 -9.616 1.00 0.00 C ATOM 0 H THR A 51 -5.637 -2.751 -6.808 1.00 0.00 H new ATOM 0 HA THR A 51 -4.231 -3.761 -9.191 1.00 0.00 H new ATOM 0 HB THR A 51 -3.106 -1.553 -9.207 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.959 0.093 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.049 -0.191 -9.882 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.154 -1.849 -10.520 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.137 -1.372 -9.115 1.00 0.00 H new ATOM 735 N HIS A 52 -3.139 -3.375 -6.127 1.00 0.00 N ATOM 736 CA HIS A 52 -2.065 -3.731 -5.215 1.00 0.00 C ATOM 737 C HIS A 52 -2.592 -4.701 -4.156 1.00 0.00 C ATOM 738 O HIS A 52 -3.628 -4.482 -3.527 1.00 0.00 O ATOM 739 CB HIS A 52 -1.430 -2.479 -4.608 1.00 0.00 C ATOM 740 CG HIS A 52 -0.825 -1.542 -5.627 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.583 -0.866 -6.567 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.471 -1.175 -5.841 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.769 -0.130 -7.309 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.504 -0.323 -6.858 1.00 0.00 N ATOM 0 H HIS A 52 -3.967 -2.982 -5.679 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.272 -4.240 -5.763 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.187 -1.940 -4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.656 -2.782 -3.903 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.596 -0.924 -6.671 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.326 -1.519 -5.278 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.062 0.511 -8.128 1.00 0.00 H new ATOM 752 N LEU A 53 -1.850 -5.787 -3.971 1.00 0.00 N ATOM 753 CA LEU A 53 -2.218 -6.808 -2.996 1.00 0.00 C ATOM 754 C LEU A 53 -1.188 -6.888 -1.875 1.00 0.00 C ATOM 755 O LEU A 53 -0.067 -7.356 -2.080 1.00 0.00 O ATOM 756 CB LEU A 53 -2.350 -8.170 -3.680 1.00 0.00 C ATOM 757 CG LEU A 53 -2.302 -9.391 -2.760 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.202 -9.185 -1.552 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.704 -10.647 -3.519 1.00 0.00 C ATOM 0 H LEU A 53 -0.990 -5.983 -4.483 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.179 -6.531 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.292 -8.189 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.552 -8.263 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.278 -9.516 -2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.155 -10.064 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.868 -8.310 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.229 -9.034 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.664 -11.506 -2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.718 -10.532 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.018 -10.804 -4.351 1.00 0.00 H new ATOM 771 N ILE A 54 -1.574 -6.429 -0.689 1.00 0.00 N ATOM 772 CA ILE A 54 -0.685 -6.451 0.465 1.00 0.00 C ATOM 773 C ILE A 54 -0.950 -7.671 1.340 1.00 0.00 C ATOM 774 O ILE A 54 -1.966 -7.744 2.032 1.00 0.00 O ATOM 775 CB ILE A 54 -0.838 -5.178 1.319 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.418 -3.946 0.515 1.00 0.00 C ATOM 777 CG2 ILE A 54 -0.015 -5.293 2.593 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.551 -3.320 -0.268 1.00 0.00 C ATOM 0 H ILE A 54 -2.497 -6.037 -0.503 1.00 0.00 H new ATOM 0 HA ILE A 54 0.333 -6.498 0.078 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.886 -5.067 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.003 -3.202 1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.378 -4.226 -0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.133 -4.386 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.357 -6.151 3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.036 -5.424 2.336 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.180 -2.452 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.952 -4.048 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.339 -3.008 0.418 1.00 0.00 H new ATOM 790 N VAL A 55 -0.029 -8.629 1.306 1.00 0.00 N ATOM 791 CA VAL A 55 -0.161 -9.846 2.099 1.00 0.00 C ATOM 792 C VAL A 55 0.839 -9.864 3.249 1.00 0.00 C ATOM 793 O VAL A 55 2.007 -9.517 3.074 1.00 0.00 O ATOM 794 CB VAL A 55 0.045 -11.104 1.234 1.00 0.00 C ATOM 795 CG1 VAL A 55 1.307 -10.975 0.395 1.00 0.00 C ATOM 796 CG2 VAL A 55 0.100 -12.347 2.108 1.00 0.00 C ATOM 0 H VAL A 55 0.817 -8.586 0.738 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.174 -9.853 2.502 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.803 -11.201 0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.436 -11.873 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.222 -10.107 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.169 -10.852 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.246 -13.227 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.929 -12.261 2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.835 -12.446 2.659 1.00 0.00 H new ATOM 806 N GLU A 56 0.373 -10.272 4.425 1.00 0.00 N ATOM 807 CA GLU A 56 1.228 -10.335 5.604 1.00 0.00 C ATOM 808 C GLU A 56 2.209 -11.500 5.504 1.00 0.00 C ATOM 809 O GLU A 56 1.906 -12.617 5.923 1.00 0.00 O ATOM 810 CB GLU A 56 0.380 -10.477 6.870 1.00 0.00 C ATOM 811 CG GLU A 56 1.199 -10.696 8.131 1.00 0.00 C ATOM 812 CD GLU A 56 0.398 -10.454 9.396 1.00 0.00 C ATOM 813 OE1 GLU A 56 -0.292 -9.416 9.471 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.462 -11.302 10.310 1.00 0.00 O ATOM 0 H GLU A 56 -0.591 -10.564 4.586 1.00 0.00 H new ATOM 0 HA GLU A 56 1.797 -9.407 5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.227 -9.580 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.308 -11.313 6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.583 -11.716 8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.062 -10.031 8.119 1.00 0.00 H new ATOM 821 N GLU A 57 3.384 -11.230 4.945 1.00 0.00 N ATOM 822 CA GLU A 57 4.408 -12.256 4.788 1.00 0.00 C ATOM 823 C GLU A 57 4.902 -12.744 6.147 1.00 0.00 C ATOM 824 O GLU A 57 5.639 -13.726 6.235 1.00 0.00 O ATOM 825 CB GLU A 57 5.583 -11.715 3.971 1.00 0.00 C ATOM 826 CG GLU A 57 6.410 -10.674 4.708 1.00 0.00 C ATOM 827 CD GLU A 57 7.859 -10.659 4.264 1.00 0.00 C ATOM 828 OE1 GLU A 57 8.108 -10.764 3.045 1.00 0.00 O ATOM 829 OE2 GLU A 57 8.745 -10.542 5.137 1.00 0.00 O ATOM 0 H GLU A 57 3.650 -10.310 4.594 1.00 0.00 H new ATOM 0 HA GLU A 57 3.963 -13.098 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.229 -12.545 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.202 -11.277 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.974 -9.688 4.546 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.364 -10.871 5.779 1.00 0.00 H new ATOM 836 N ASN A 58 4.491 -12.051 7.203 1.00 0.00 N ATOM 837 CA ASN A 58 4.892 -12.412 8.558 1.00 0.00 C ATOM 838 C ASN A 58 4.244 -13.726 8.985 1.00 0.00 C ATOM 839 O ASN A 58 4.793 -14.465 9.804 1.00 0.00 O ATOM 840 CB ASN A 58 4.511 -11.301 9.539 1.00 0.00 C ATOM 841 CG ASN A 58 5.612 -10.272 9.703 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.410 -10.344 10.638 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.661 -9.308 8.791 1.00 0.00 N ATOM 0 H ASN A 58 3.880 -11.236 7.147 1.00 0.00 H new ATOM 0 HA ASN A 58 5.974 -12.540 8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.605 -10.807 9.190 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.281 -11.740 10.510 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.381 -8.588 8.848 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.979 -9.288 8.033 1.00 0.00 H new ATOM 850 N THR A 59 3.074 -14.013 8.423 1.00 0.00 N ATOM 851 CA THR A 59 2.351 -15.237 8.745 1.00 0.00 C ATOM 852 C THR A 59 1.918 -15.968 7.480 1.00 0.00 C ATOM 853 O THR A 59 2.002 -17.194 7.399 1.00 0.00 O ATOM 854 CB THR A 59 1.108 -14.945 9.606 1.00 0.00 C ATOM 855 OG1 THR A 59 0.555 -16.171 10.099 1.00 0.00 O ATOM 856 CG2 THR A 59 0.057 -14.195 8.803 1.00 0.00 C ATOM 0 H THR A 59 2.607 -13.414 7.742 1.00 0.00 H new ATOM 0 HA THR A 59 3.036 -15.869 9.311 1.00 0.00 H new ATOM 0 HB THR A 59 1.413 -14.321 10.446 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.234 -15.977 10.647 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.811 -14.000 9.432 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.472 -13.249 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.244 -14.797 7.946 1.00 0.00 H new ATOM 864 N VAL A 60 1.455 -15.209 6.492 1.00 0.00 N ATOM 865 CA VAL A 60 1.010 -15.786 5.228 1.00 0.00 C ATOM 866 C VAL A 60 2.187 -16.340 4.433 1.00 0.00 C ATOM 867 O VAL A 60 3.171 -15.641 4.190 1.00 0.00 O ATOM 868 CB VAL A 60 0.266 -14.747 4.368 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.458 -15.427 3.217 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.705 -13.947 5.222 1.00 0.00 C ATOM 0 H VAL A 60 1.378 -14.193 6.542 1.00 0.00 H new ATOM 0 HA VAL A 60 0.327 -16.599 5.474 1.00 0.00 H new ATOM 0 HB VAL A 60 0.998 -14.057 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.978 -14.677 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.265 -15.951 2.592 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.181 -16.141 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.222 -13.218 4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.434 -14.621 5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.156 -13.428 6.008 1.00 0.00 H new ATOM 880 N LYS A 61 2.079 -17.601 4.028 1.00 0.00 N ATOM 881 CA LYS A 61 3.133 -18.250 3.258 1.00 0.00 C ATOM 882 C LYS A 61 2.688 -18.484 1.818 1.00 0.00 C ATOM 883 O LYS A 61 3.498 -18.433 0.892 1.00 0.00 O ATOM 884 CB LYS A 61 3.520 -19.581 3.906 1.00 0.00 C ATOM 885 CG LYS A 61 2.507 -20.689 3.674 1.00 0.00 C ATOM 886 CD LYS A 61 3.143 -22.063 3.802 1.00 0.00 C ATOM 887 CE LYS A 61 2.363 -23.112 3.025 1.00 0.00 C ATOM 888 NZ LYS A 61 2.831 -23.222 1.616 1.00 0.00 N ATOM 0 H LYS A 61 1.272 -18.194 4.220 1.00 0.00 H new ATOM 0 HA LYS A 61 4.001 -17.591 3.249 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.487 -19.897 3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.642 -19.431 4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.693 -20.595 4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.069 -20.581 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.169 -22.026 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.190 -22.347 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.465 -24.079 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.303 -22.858 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.085 -23.656 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.049 -22.274 1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.686 -23.813 1.579 1.00 0.00 H new ATOM 902 N ASP A 62 1.397 -18.740 1.636 1.00 0.00 N ATOM 903 CA ASP A 62 0.844 -18.980 0.308 1.00 0.00 C ATOM 904 C ASP A 62 -0.457 -18.207 0.114 1.00 0.00 C ATOM 905 O ASP A 62 -1.088 -17.780 1.081 1.00 0.00 O ATOM 906 CB ASP A 62 0.601 -20.475 0.095 1.00 0.00 C ATOM 907 CG ASP A 62 -0.715 -20.937 0.689 1.00 0.00 C ATOM 908 OD1 ASP A 62 -1.755 -20.785 0.016 1.00 0.00 O ATOM 909 OD2 ASP A 62 -0.704 -21.451 1.828 1.00 0.00 O ATOM 0 H ASP A 62 0.714 -18.787 2.392 1.00 0.00 H new ATOM 0 HA ASP A 62 1.567 -18.630 -0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.611 -20.693 -0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.418 -21.041 0.544 1.00 0.00 H new ATOM 914 N LEU A 63 -0.852 -18.030 -1.142 1.00 0.00 N ATOM 915 CA LEU A 63 -2.077 -17.308 -1.464 1.00 0.00 C ATOM 916 C LEU A 63 -3.229 -18.276 -1.718 1.00 0.00 C ATOM 917 O LEU A 63 -3.052 -19.356 -2.281 1.00 0.00 O ATOM 918 CB LEU A 63 -1.862 -16.421 -2.692 1.00 0.00 C ATOM 919 CG LEU A 63 -0.731 -15.397 -2.590 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.331 -14.905 -3.972 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.146 -14.230 -1.706 1.00 0.00 C ATOM 0 H LEU A 63 -0.341 -18.377 -1.954 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.335 -16.681 -0.611 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.667 -17.064 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.790 -15.888 -2.898 1.00 0.00 H new ATOM 0 HG LEU A 63 0.133 -15.882 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.475 -14.177 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.008 -15.748 -4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.189 -14.437 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.329 -13.511 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.024 -13.745 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.382 -14.596 -0.707 1.00 0.00 H new ATOM 933 N PRO A 64 -4.439 -17.880 -1.295 1.00 0.00 N ATOM 934 CA PRO A 64 -5.644 -18.696 -1.467 1.00 0.00 C ATOM 935 C PRO A 64 -6.077 -18.790 -2.927 1.00 0.00 C ATOM 936 O PRO A 64 -6.836 -19.684 -3.303 1.00 0.00 O ATOM 937 CB PRO A 64 -6.698 -17.952 -0.644 1.00 0.00 C ATOM 938 CG PRO A 64 -6.226 -16.539 -0.613 1.00 0.00 C ATOM 939 CD PRO A 64 -4.723 -16.605 -0.616 1.00 0.00 C ATOM 0 HA PRO A 64 -5.486 -19.727 -1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.685 -18.030 -1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.779 -18.365 0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.594 -15.985 -1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.592 -16.024 0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.285 -15.760 -1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.318 -16.590 0.396 1.00 0.00 H new ATOM 947 N PHE A 65 -5.589 -17.863 -3.744 1.00 0.00 N ATOM 948 CA PHE A 65 -5.926 -17.842 -5.163 1.00 0.00 C ATOM 949 C PHE A 65 -4.680 -17.614 -6.014 1.00 0.00 C ATOM 950 O PHE A 65 -3.583 -17.428 -5.489 1.00 0.00 O ATOM 951 CB PHE A 65 -6.958 -16.749 -5.447 1.00 0.00 C ATOM 952 CG PHE A 65 -6.379 -15.363 -5.447 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.855 -14.817 -4.287 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.361 -14.606 -6.607 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.321 -13.542 -4.283 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.828 -13.330 -6.610 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.309 -12.797 -5.447 1.00 0.00 C ATOM 0 H PHE A 65 -4.959 -17.117 -3.449 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.351 -18.811 -5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.421 -16.941 -6.415 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.749 -16.804 -4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.864 -15.394 -3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.768 -15.017 -7.519 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.914 -13.129 -3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.818 -12.751 -7.521 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.894 -11.800 -5.447 1.00 0.00 H new ATOM 967 N GLU A 66 -4.859 -17.630 -7.332 1.00 0.00 N ATOM 968 CA GLU A 66 -3.750 -17.427 -8.256 1.00 0.00 C ATOM 969 C GLU A 66 -3.924 -16.128 -9.037 1.00 0.00 C ATOM 970 O GLU A 66 -4.497 -16.102 -10.127 1.00 0.00 O ATOM 971 CB GLU A 66 -3.640 -18.607 -9.224 1.00 0.00 C ATOM 972 CG GLU A 66 -2.498 -18.476 -10.216 1.00 0.00 C ATOM 973 CD GLU A 66 -2.206 -19.773 -10.945 1.00 0.00 C ATOM 974 OE1 GLU A 66 -1.672 -20.705 -10.306 1.00 0.00 O ATOM 975 OE2 GLU A 66 -2.510 -19.858 -12.153 1.00 0.00 O ATOM 0 H GLU A 66 -5.761 -17.781 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.832 -17.360 -7.672 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.509 -19.525 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.577 -18.705 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.741 -17.702 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.601 -18.149 -9.690 1.00 0.00 H new ATOM 982 N PRO A 67 -3.418 -15.023 -8.469 1.00 0.00 N ATOM 983 CA PRO A 67 -3.505 -13.701 -9.094 1.00 0.00 C ATOM 984 C PRO A 67 -2.623 -13.586 -10.333 1.00 0.00 C ATOM 985 O PRO A 67 -1.745 -14.418 -10.561 1.00 0.00 O ATOM 986 CB PRO A 67 -3.010 -12.756 -7.996 1.00 0.00 C ATOM 987 CG PRO A 67 -2.130 -13.599 -7.139 1.00 0.00 C ATOM 988 CD PRO A 67 -2.722 -14.981 -7.172 1.00 0.00 C ATOM 0 HA PRO A 67 -4.514 -13.481 -9.442 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.462 -11.913 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.841 -12.343 -7.425 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.107 -13.603 -7.515 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.093 -13.214 -6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.952 -15.750 -7.104 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.409 -15.144 -6.342 1.00 0.00 H new ATOM 996 N SER A 68 -2.862 -12.549 -11.130 1.00 0.00 N ATOM 997 CA SER A 68 -2.090 -12.328 -12.348 1.00 0.00 C ATOM 998 C SER A 68 -0.970 -11.321 -12.105 1.00 0.00 C ATOM 999 O SER A 68 -1.016 -10.539 -11.156 1.00 0.00 O ATOM 1000 CB SER A 68 -3.003 -11.832 -13.471 1.00 0.00 C ATOM 1001 OG SER A 68 -3.553 -12.917 -14.198 1.00 0.00 O ATOM 0 H SER A 68 -3.583 -11.849 -10.955 1.00 0.00 H new ATOM 0 HA SER A 68 -1.643 -13.277 -12.644 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.807 -11.227 -13.050 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.439 -11.188 -14.145 1.00 0.00 H new ATOM 0 HG SER A 68 -4.134 -12.574 -14.909 1.00 0.00 H new ATOM 1007 N LYS A 69 0.037 -11.347 -12.972 1.00 0.00 N ATOM 1008 CA LYS A 69 1.171 -10.437 -12.855 1.00 0.00 C ATOM 1009 C LYS A 69 0.697 -8.999 -12.668 1.00 0.00 C ATOM 1010 O LYS A 69 1.226 -8.264 -11.834 1.00 0.00 O ATOM 1011 CB LYS A 69 2.059 -10.534 -14.097 1.00 0.00 C ATOM 1012 CG LYS A 69 3.398 -9.834 -13.944 1.00 0.00 C ATOM 1013 CD LYS A 69 3.288 -8.349 -14.246 1.00 0.00 C ATOM 1014 CE LYS A 69 4.652 -7.677 -14.244 1.00 0.00 C ATOM 1015 NZ LYS A 69 5.221 -7.580 -12.871 1.00 0.00 N ATOM 0 H LYS A 69 0.091 -11.988 -13.763 1.00 0.00 H new ATOM 0 HA LYS A 69 1.749 -10.728 -11.978 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.232 -11.585 -14.328 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.529 -10.104 -14.947 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.769 -9.973 -12.928 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.127 -10.290 -14.614 1.00 0.00 H new ATOM 0 HD2 LYS A 69 2.813 -8.208 -15.217 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.646 -7.873 -13.505 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.335 -8.239 -14.881 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.565 -6.679 -14.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.151 -7.116 -12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.582 -7.022 -12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.328 -8.534 -12.471 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.304 -8.604 -13.448 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.851 -7.255 -13.366 1.00 0.00 C ATOM 1031 C LYS A 70 -0.974 -6.804 -11.914 1.00 0.00 C ATOM 1032 O LYS A 70 -0.692 -5.651 -11.586 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.220 -7.197 -14.047 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.235 -8.161 -13.458 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.460 -8.294 -14.346 1.00 0.00 C ATOM 1036 CE LYS A 70 -5.669 -8.777 -13.560 1.00 0.00 C ATOM 1037 NZ LYS A 70 -6.689 -9.407 -14.443 1.00 0.00 N ATOM 0 H LYS A 70 -0.753 -9.199 -14.144 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.166 -6.580 -13.880 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.610 -6.182 -13.973 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.098 -7.415 -15.108 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.774 -9.139 -13.325 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.537 -7.814 -12.470 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.684 -7.331 -14.805 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.249 -8.992 -15.156 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.348 -9.495 -12.806 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.117 -7.937 -13.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.497 -9.723 -13.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.014 -8.714 -15.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.269 -10.225 -14.930 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.395 -7.720 -11.049 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.553 -7.417 -9.631 1.00 0.00 C ATOM 1053 C LEU A 71 -0.214 -7.490 -8.906 1.00 0.00 C ATOM 1054 O LEU A 71 0.402 -8.553 -8.821 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.547 -8.388 -8.990 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.691 -8.294 -7.470 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.540 -7.092 -7.088 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.295 -9.574 -6.912 1.00 0.00 C ATOM 0 H LEU A 71 -1.633 -8.678 -11.305 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.938 -6.401 -9.542 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.527 -8.223 -9.439 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.247 -9.405 -9.244 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.699 -8.165 -7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.632 -7.041 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.067 -6.181 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.531 -7.191 -7.531 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.390 -9.490 -5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.280 -9.733 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.648 -10.417 -7.155 1.00 0.00 H new ATOM 1070 N PHE A 72 0.232 -6.353 -8.381 1.00 0.00 N ATOM 1071 CA PHE A 72 1.499 -6.288 -7.661 1.00 0.00 C ATOM 1072 C PHE A 72 1.312 -6.673 -6.196 1.00 0.00 C ATOM 1073 O PHE A 72 0.561 -6.027 -5.464 1.00 0.00 O ATOM 1074 CB PHE A 72 2.094 -4.882 -7.759 1.00 0.00 C ATOM 1075 CG PHE A 72 2.468 -4.486 -9.159 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.653 -4.929 -9.724 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.636 -3.671 -9.909 1.00 0.00 C ATOM 1078 CE1 PHE A 72 4.000 -4.565 -11.012 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.977 -3.304 -11.197 1.00 0.00 C ATOM 1080 CZ PHE A 72 3.161 -3.753 -11.749 1.00 0.00 C ATOM 0 H PHE A 72 -0.265 -5.464 -8.441 1.00 0.00 H new ATOM 0 HA PHE A 72 2.186 -6.998 -8.120 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.374 -4.163 -7.367 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.979 -4.826 -7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.312 -5.565 -9.152 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.709 -3.318 -9.482 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.927 -4.916 -11.441 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.319 -2.668 -11.771 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.430 -3.469 -12.756 1.00 0.00 H new ATOM 1090 N VAL A 73 2.000 -7.729 -5.776 1.00 0.00 N ATOM 1091 CA VAL A 73 1.911 -8.201 -4.399 1.00 0.00 C ATOM 1092 C VAL A 73 3.087 -7.698 -3.569 1.00 0.00 C ATOM 1093 O VAL A 73 4.247 -7.890 -3.935 1.00 0.00 O ATOM 1094 CB VAL A 73 1.872 -9.739 -4.334 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.626 -10.207 -2.907 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.807 -10.285 -5.273 1.00 0.00 C ATOM 0 H VAL A 73 2.625 -8.274 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 73 0.983 -7.804 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 73 2.840 -10.124 -4.656 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.602 -11.296 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.428 -9.846 -2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.672 -9.814 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.793 -11.373 -5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.168 -9.894 -4.984 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.032 -9.980 -6.295 1.00 0.00 H new ATOM 1106 N VAL A 74 2.780 -7.052 -2.448 1.00 0.00 N ATOM 1107 CA VAL A 74 3.812 -6.522 -1.564 1.00 0.00 C ATOM 1108 C VAL A 74 3.517 -6.865 -0.108 1.00 0.00 C ATOM 1109 O VAL A 74 2.409 -7.282 0.231 1.00 0.00 O ATOM 1110 CB VAL A 74 3.940 -4.994 -1.705 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.502 -4.628 -3.070 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.594 -4.323 -1.476 1.00 0.00 C ATOM 0 H VAL A 74 1.825 -6.883 -2.131 1.00 0.00 H new ATOM 0 HA VAL A 74 4.753 -6.987 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 74 4.634 -4.634 -0.945 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.585 -3.544 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.488 -5.077 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.837 -5.000 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.703 -3.243 -1.580 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.876 -4.687 -2.211 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.237 -4.557 -0.473 1.00 0.00 H new ATOM 1122 N LYS A 75 4.515 -6.686 0.750 1.00 0.00 N ATOM 1123 CA LYS A 75 4.365 -6.974 2.171 1.00 0.00 C ATOM 1124 C LYS A 75 3.458 -5.947 2.841 1.00 0.00 C ATOM 1125 O LYS A 75 2.890 -5.081 2.176 1.00 0.00 O ATOM 1126 CB LYS A 75 5.732 -6.988 2.857 1.00 0.00 C ATOM 1127 CG LYS A 75 6.780 -7.796 2.111 1.00 0.00 C ATOM 1128 CD LYS A 75 8.183 -7.286 2.394 1.00 0.00 C ATOM 1129 CE LYS A 75 9.232 -8.101 1.653 1.00 0.00 C ATOM 1130 NZ LYS A 75 10.575 -7.983 2.285 1.00 0.00 N ATOM 0 H LYS A 75 5.438 -6.342 0.485 1.00 0.00 H new ATOM 0 HA LYS A 75 3.906 -7.958 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.085 -5.962 2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.620 -7.394 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.707 -8.844 2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.583 -7.748 1.040 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.258 -6.240 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.378 -7.329 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.931 -9.148 1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.287 -7.766 0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.261 -8.553 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.874 -6.987 2.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.529 -8.327 3.265 1.00 0.00 H new ATOM 1144 N GLN A 76 3.328 -6.050 4.160 1.00 0.00 N ATOM 1145 CA GLN A 76 2.491 -5.128 4.919 1.00 0.00 C ATOM 1146 C GLN A 76 3.188 -3.784 5.101 1.00 0.00 C ATOM 1147 O GLN A 76 2.538 -2.740 5.152 1.00 0.00 O ATOM 1148 CB GLN A 76 2.145 -5.726 6.283 1.00 0.00 C ATOM 1149 CG GLN A 76 3.354 -5.931 7.182 1.00 0.00 C ATOM 1150 CD GLN A 76 4.068 -7.240 6.912 1.00 0.00 C ATOM 1151 OE1 GLN A 76 5.277 -7.265 6.678 1.00 0.00 O ATOM 1152 NE2 GLN A 76 3.322 -8.339 6.942 1.00 0.00 N ATOM 0 H GLN A 76 3.791 -6.762 4.725 1.00 0.00 H new ATOM 0 HA GLN A 76 1.571 -4.966 4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.434 -5.072 6.788 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.646 -6.684 6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.051 -5.105 7.040 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.036 -5.904 8.224 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.324 -8.272 7.140 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.748 -9.249 6.767 1.00 0.00 H new ATOM 1161 N GLU A 77 4.513 -3.818 5.201 1.00 0.00 N ATOM 1162 CA GLU A 77 5.297 -2.602 5.379 1.00 0.00 C ATOM 1163 C GLU A 77 4.985 -1.588 4.282 1.00 0.00 C ATOM 1164 O GLU A 77 4.837 -0.395 4.548 1.00 0.00 O ATOM 1165 CB GLU A 77 6.792 -2.927 5.378 1.00 0.00 C ATOM 1166 CG GLU A 77 7.653 -1.835 5.991 1.00 0.00 C ATOM 1167 CD GLU A 77 7.756 -1.951 7.499 1.00 0.00 C ATOM 1168 OE1 GLU A 77 8.634 -2.698 7.979 1.00 0.00 O ATOM 1169 OE2 GLU A 77 6.958 -1.294 8.200 1.00 0.00 O ATOM 0 H GLU A 77 5.066 -4.674 5.162 1.00 0.00 H new ATOM 0 HA GLU A 77 5.029 -2.165 6.341 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.954 -3.856 5.925 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.117 -3.101 4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.652 -1.879 5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.237 -0.861 5.733 1.00 0.00 H new ATOM 1176 N TRP A 78 4.888 -2.071 3.048 1.00 0.00 N ATOM 1177 CA TRP A 78 4.595 -1.208 1.910 1.00 0.00 C ATOM 1178 C TRP A 78 3.440 -0.264 2.226 1.00 0.00 C ATOM 1179 O TRP A 78 3.593 0.957 2.179 1.00 0.00 O ATOM 1180 CB TRP A 78 4.259 -2.050 0.678 1.00 0.00 C ATOM 1181 CG TRP A 78 4.136 -1.242 -0.578 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.096 -1.058 -1.532 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.988 -0.507 -1.015 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.614 -0.254 -2.536 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.322 0.097 -2.243 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.709 -0.302 -0.490 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.424 0.892 -2.950 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.819 0.487 -1.193 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.179 1.076 -2.413 1.00 0.00 C ATOM 0 H TRP A 78 5.008 -3.056 2.811 1.00 0.00 H new ATOM 0 HA TRP A 78 5.482 -0.610 1.702 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.033 -2.806 0.541 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.323 -2.580 0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.089 -1.482 -1.501 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.133 0.035 -3.365 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.422 -0.752 0.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.700 1.348 -3.889 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.171 0.653 -0.796 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.460 1.687 -2.939 1.00 0.00 H new ATOM 1200 N PHE A 79 2.285 -0.836 2.549 1.00 0.00 N ATOM 1201 CA PHE A 79 1.104 -0.045 2.872 1.00 0.00 C ATOM 1202 C PHE A 79 1.411 0.966 3.974 1.00 0.00 C ATOM 1203 O PHE A 79 1.138 2.158 3.831 1.00 0.00 O ATOM 1204 CB PHE A 79 -0.044 -0.957 3.307 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.244 -0.210 3.816 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -2.084 0.458 2.939 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.533 -0.177 5.171 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -3.188 1.147 3.405 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.636 0.509 5.642 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.465 1.171 4.758 1.00 0.00 C ATOM 0 H PHE A 79 2.142 -1.845 2.594 1.00 0.00 H new ATOM 0 HA PHE A 79 0.806 0.499 1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.344 -1.578 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.313 -1.630 4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.874 0.440 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.889 -0.694 5.867 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.833 1.666 2.712 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.850 0.527 6.701 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.328 1.707 5.124 1.00 0.00 H new ATOM 1220 N TRP A 80 1.979 0.480 5.071 1.00 0.00 N ATOM 1221 CA TRP A 80 2.323 1.340 6.198 1.00 0.00 C ATOM 1222 C TRP A 80 3.239 2.476 5.757 1.00 0.00 C ATOM 1223 O TRP A 80 2.842 3.640 5.754 1.00 0.00 O ATOM 1224 CB TRP A 80 2.998 0.524 7.302 1.00 0.00 C ATOM 1225 CG TRP A 80 2.068 -0.432 7.987 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.259 -1.772 8.170 1.00 0.00 C ATOM 1227 CD2 TRP A 80 0.802 -0.120 8.578 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.187 -2.312 8.839 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.280 -1.319 9.102 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.059 1.055 8.718 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.949 -1.374 9.753 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -1.161 0.999 9.364 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -1.655 -0.208 9.875 1.00 0.00 C ATOM 0 H TRP A 80 2.211 -0.504 5.205 1.00 0.00 H new ATOM 0 HA TRP A 80 1.401 1.772 6.587 1.00 0.00 H new ATOM 0 HB2 TRP A 80 3.831 -0.034 6.874 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.418 1.205 8.042 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.125 -2.326 7.838 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.083 -3.293 9.098 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.432 1.991 8.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.332 -2.304 10.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.744 1.901 9.477 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -2.612 -0.219 10.375 1.00 0.00 H new ATOM 1244 N GLY A 81 4.467 2.129 5.382 1.00 0.00 N ATOM 1245 CA GLY A 81 5.420 3.132 4.944 1.00 0.00 C ATOM 1246 C GLY A 81 4.779 4.204 4.085 1.00 0.00 C ATOM 1247 O GLY A 81 4.744 5.374 4.464 1.00 0.00 O ATOM 0 H GLY A 81 4.818 1.171 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.881 3.597 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.219 2.649 4.381 1.00 0.00 H new ATOM 1251 N SER A 82 4.272 3.805 2.923 1.00 0.00 N ATOM 1252 CA SER A 82 3.634 4.741 2.005 1.00 0.00 C ATOM 1253 C SER A 82 2.828 5.787 2.769 1.00 0.00 C ATOM 1254 O SER A 82 2.798 6.959 2.392 1.00 0.00 O ATOM 1255 CB SER A 82 2.724 3.992 1.029 1.00 0.00 C ATOM 1256 OG SER A 82 3.479 3.364 0.008 1.00 0.00 O ATOM 0 H SER A 82 4.291 2.839 2.595 1.00 0.00 H new ATOM 0 HA SER A 82 4.417 5.250 1.443 1.00 0.00 H new ATOM 0 HB2 SER A 82 2.144 3.244 1.569 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.012 4.687 0.584 1.00 0.00 H new ATOM 0 HG SER A 82 2.875 2.891 -0.602 1.00 0.00 H new ATOM 1262 N ILE A 83 2.177 5.354 3.843 1.00 0.00 N ATOM 1263 CA ILE A 83 1.372 6.253 4.661 1.00 0.00 C ATOM 1264 C ILE A 83 2.254 7.186 5.484 1.00 0.00 C ATOM 1265 O ILE A 83 2.086 8.405 5.449 1.00 0.00 O ATOM 1266 CB ILE A 83 0.445 5.471 5.610 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.477 4.547 4.812 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.370 6.431 6.465 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -1.075 3.430 5.638 1.00 0.00 C ATOM 0 H ILE A 83 2.191 4.387 4.167 1.00 0.00 H new ATOM 0 HA ILE A 83 0.763 6.843 3.976 1.00 0.00 H new ATOM 0 HB ILE A 83 1.059 4.859 6.270 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.283 5.138 4.378 1.00 0.00 H new ATOM 0 HG13 ILE A 83 0.084 4.115 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.020 5.863 7.130 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.303 7.051 7.057 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.977 7.067 5.820 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.717 2.815 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.276 2.815 6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.664 3.854 6.451 1.00 0.00 H new ATOM 1281 N GLN A 84 3.194 6.605 6.221 1.00 0.00 N ATOM 1282 CA GLN A 84 4.104 7.385 7.052 1.00 0.00 C ATOM 1283 C GLN A 84 4.759 8.499 6.244 1.00 0.00 C ATOM 1284 O GLN A 84 4.738 9.663 6.643 1.00 0.00 O ATOM 1285 CB GLN A 84 5.177 6.480 7.659 1.00 0.00 C ATOM 1286 CG GLN A 84 5.762 7.015 8.956 1.00 0.00 C ATOM 1287 CD GLN A 84 6.896 7.995 8.725 1.00 0.00 C ATOM 1288 OE1 GLN A 84 7.131 8.434 7.599 1.00 0.00 O ATOM 1289 NE2 GLN A 84 7.605 8.343 9.792 1.00 0.00 N ATOM 0 H GLN A 84 3.346 5.597 6.260 1.00 0.00 H new ATOM 0 HA GLN A 84 3.524 7.838 7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.748 5.495 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.981 6.348 6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.975 7.504 9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.124 6.181 9.558 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.375 7.954 10.706 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.380 8.999 9.697 1.00 0.00 H new ATOM 1298 N MET A 85 5.340 8.135 5.106 1.00 0.00 N ATOM 1299 CA MET A 85 6.001 9.105 4.241 1.00 0.00 C ATOM 1300 C MET A 85 5.001 9.757 3.291 1.00 0.00 C ATOM 1301 O MET A 85 5.327 10.721 2.599 1.00 0.00 O ATOM 1302 CB MET A 85 7.116 8.430 3.440 1.00 0.00 C ATOM 1303 CG MET A 85 6.626 7.300 2.548 1.00 0.00 C ATOM 1304 SD MET A 85 7.675 7.050 1.103 1.00 0.00 S ATOM 1305 CE MET A 85 7.326 5.335 0.724 1.00 0.00 C ATOM 0 H MET A 85 5.367 7.175 4.761 1.00 0.00 H new ATOM 0 HA MET A 85 6.435 9.880 4.872 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.614 9.179 2.824 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.863 8.039 4.131 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.586 6.377 3.127 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.609 7.516 2.221 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.214 4.732 0.915 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.506 4.983 1.351 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.045 5.244 -0.325 1.00 0.00 H new ATOM 1315 N ASP A 86 3.784 9.226 3.265 1.00 0.00 N ATOM 1316 CA ASP A 86 2.736 9.757 2.401 1.00 0.00 C ATOM 1317 C ASP A 86 3.186 9.766 0.943 1.00 0.00 C ATOM 1318 O ASP A 86 2.902 10.706 0.202 1.00 0.00 O ATOM 1319 CB ASP A 86 2.354 11.172 2.839 1.00 0.00 C ATOM 1320 CG ASP A 86 1.572 11.184 4.138 1.00 0.00 C ATOM 1321 OD1 ASP A 86 2.171 10.894 5.193 1.00 0.00 O ATOM 1322 OD2 ASP A 86 0.360 11.484 4.098 1.00 0.00 O ATOM 0 H ASP A 86 3.498 8.428 3.832 1.00 0.00 H new ATOM 0 HA ASP A 86 1.864 9.110 2.489 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.258 11.769 2.957 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.760 11.644 2.056 1.00 0.00 H new ATOM 1327 N ALA A 87 3.891 8.714 0.541 1.00 0.00 N ATOM 1328 CA ALA A 87 4.380 8.601 -0.828 1.00 0.00 C ATOM 1329 C ALA A 87 4.452 7.142 -1.266 1.00 0.00 C ATOM 1330 O ALA A 87 5.037 6.306 -0.578 1.00 0.00 O ATOM 1331 CB ALA A 87 5.745 9.261 -0.958 1.00 0.00 C ATOM 0 H ALA A 87 4.136 7.928 1.143 1.00 0.00 H new ATOM 0 HA ALA A 87 3.676 9.116 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.097 9.169 -1.985 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.666 10.316 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.451 8.772 -0.287 1.00 0.00 H new ATOM 1337 N ARG A 88 3.853 6.843 -2.414 1.00 0.00 N ATOM 1338 CA ARG A 88 3.848 5.485 -2.943 1.00 0.00 C ATOM 1339 C ARG A 88 5.268 4.936 -3.045 1.00 0.00 C ATOM 1340 O ARG A 88 6.114 5.500 -3.737 1.00 0.00 O ATOM 1341 CB ARG A 88 3.177 5.452 -4.317 1.00 0.00 C ATOM 1342 CG ARG A 88 2.611 4.090 -4.687 1.00 0.00 C ATOM 1343 CD ARG A 88 2.507 3.921 -6.194 1.00 0.00 C ATOM 1344 NE ARG A 88 3.733 3.374 -6.770 1.00 0.00 N ATOM 1345 CZ ARG A 88 3.866 3.062 -8.054 1.00 0.00 C ATOM 1346 NH1 ARG A 88 2.855 3.243 -8.892 1.00 0.00 N ATOM 1347 NH2 ARG A 88 5.013 2.569 -8.503 1.00 0.00 N ATOM 0 H ARG A 88 3.365 7.524 -2.996 1.00 0.00 H new ATOM 0 HA ARG A 88 3.282 4.856 -2.255 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.373 6.188 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.902 5.752 -5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.247 3.306 -4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.625 3.970 -4.237 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.671 3.262 -6.428 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.290 4.886 -6.653 1.00 0.00 H new ATOM 0 HE ARG A 88 4.531 3.223 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 88 1.972 3.623 -8.551 1.00 0.00 H new ATOM 0 HH12 ARG A 88 2.960 3.002 -9.878 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.794 2.429 -7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.114 2.330 -9.489 1.00 0.00 H new ATOM 1361 N ALA A 89 5.521 3.832 -2.349 1.00 0.00 N ATOM 1362 CA ALA A 89 6.837 3.206 -2.363 1.00 0.00 C ATOM 1363 C ALA A 89 6.942 2.172 -3.479 1.00 0.00 C ATOM 1364 O ALA A 89 5.932 1.716 -4.013 1.00 0.00 O ATOM 1365 CB ALA A 89 7.129 2.562 -1.016 1.00 0.00 C ATOM 0 H ALA A 89 4.832 3.353 -1.769 1.00 0.00 H new ATOM 0 HA ALA A 89 7.579 3.982 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.115 2.098 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.105 3.323 -0.236 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.376 1.803 -0.805 1.00 0.00 H new ATOM 1371 N GLY A 90 8.172 1.807 -3.828 1.00 0.00 N ATOM 1372 CA GLY A 90 8.386 0.830 -4.879 1.00 0.00 C ATOM 1373 C GLY A 90 7.978 -0.569 -4.463 1.00 0.00 C ATOM 1374 O GLY A 90 8.267 -1.000 -3.348 1.00 0.00 O ATOM 0 H GLY A 90 9.024 2.171 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.820 1.122 -5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.439 0.829 -5.161 1.00 0.00 H new ATOM 1378 N GLU A 91 7.302 -1.278 -5.362 1.00 0.00 N ATOM 1379 CA GLU A 91 6.851 -2.636 -5.079 1.00 0.00 C ATOM 1380 C GLU A 91 8.038 -3.586 -4.943 1.00 0.00 C ATOM 1381 O GLU A 91 8.088 -4.410 -4.029 1.00 0.00 O ATOM 1382 CB GLU A 91 5.915 -3.127 -6.186 1.00 0.00 C ATOM 1383 CG GLU A 91 4.775 -2.169 -6.488 1.00 0.00 C ATOM 1384 CD GLU A 91 3.726 -2.147 -5.393 1.00 0.00 C ATOM 1385 OE1 GLU A 91 2.998 -3.150 -5.249 1.00 0.00 O ATOM 1386 OE2 GLU A 91 3.634 -1.125 -4.681 1.00 0.00 O ATOM 0 H GLU A 91 7.055 -0.935 -6.290 1.00 0.00 H new ATOM 0 HA GLU A 91 6.308 -2.622 -4.134 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.494 -3.287 -7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.500 -4.093 -5.898 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.176 -1.164 -6.622 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.306 -2.454 -7.430 1.00 0.00 H new ATOM 1393 N THR A 92 8.992 -3.467 -5.861 1.00 0.00 N ATOM 1394 CA THR A 92 10.178 -4.314 -5.845 1.00 0.00 C ATOM 1395 C THR A 92 10.894 -4.234 -4.502 1.00 0.00 C ATOM 1396 O THR A 92 11.713 -5.092 -4.173 1.00 0.00 O ATOM 1397 CB THR A 92 11.163 -3.923 -6.963 1.00 0.00 C ATOM 1398 OG1 THR A 92 10.581 -4.189 -8.244 1.00 0.00 O ATOM 1399 CG2 THR A 92 12.470 -4.690 -6.825 1.00 0.00 C ATOM 0 H THR A 92 8.966 -2.792 -6.625 1.00 0.00 H new ATOM 0 HA THR A 92 9.838 -5.336 -6.011 1.00 0.00 H new ATOM 0 HB THR A 92 11.374 -2.857 -6.875 1.00 0.00 H new ATOM 0 HG1 THR A 92 11.213 -3.936 -8.949 1.00 0.00 H new ATOM 0 HG21 THR A 92 13.150 -4.397 -7.625 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.925 -4.463 -5.861 1.00 0.00 H new ATOM 0 HG23 THR A 92 12.273 -5.760 -6.890 1.00 0.00 H new ATOM 1407 N MET A 93 10.579 -3.200 -3.729 1.00 0.00 N ATOM 1408 CA MET A 93 11.191 -3.010 -2.420 1.00 0.00 C ATOM 1409 C MET A 93 10.477 -3.842 -1.360 1.00 0.00 C ATOM 1410 O MET A 93 11.053 -4.169 -0.321 1.00 0.00 O ATOM 1411 CB MET A 93 11.162 -1.531 -2.029 1.00 0.00 C ATOM 1412 CG MET A 93 12.289 -0.718 -2.645 1.00 0.00 C ATOM 1413 SD MET A 93 11.872 -0.079 -4.279 1.00 0.00 S ATOM 1414 CE MET A 93 11.688 1.667 -3.923 1.00 0.00 C ATOM 0 H MET A 93 9.903 -2.481 -3.987 1.00 0.00 H new ATOM 0 HA MET A 93 12.227 -3.342 -2.480 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.207 -1.102 -2.333 1.00 0.00 H new ATOM 0 HB3 MET A 93 11.217 -1.449 -0.943 1.00 0.00 H new ATOM 0 HG2 MET A 93 12.534 0.114 -1.985 1.00 0.00 H new ATOM 0 HG3 MET A 93 13.182 -1.339 -2.719 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.210 2.162 -4.768 1.00 0.00 H new ATOM 0 HE2 MET A 93 11.072 1.794 -3.033 1.00 0.00 H new ATOM 0 HE3 MET A 93 12.670 2.109 -3.751 1.00 0.00 H new ATOM 1424 N TYR A 94 9.221 -4.182 -1.628 1.00 0.00 N ATOM 1425 CA TYR A 94 8.428 -4.974 -0.695 1.00 0.00 C ATOM 1426 C TYR A 94 7.735 -6.128 -1.413 1.00 0.00 C ATOM 1427 O TYR A 94 6.732 -6.659 -0.935 1.00 0.00 O ATOM 1428 CB TYR A 94 7.388 -4.092 -0.001 1.00 0.00 C ATOM 1429 CG TYR A 94 7.962 -2.816 0.572 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.278 -1.742 -0.252 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.189 -2.684 1.936 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.803 -0.575 0.267 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.712 -1.519 2.464 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.018 -0.468 1.625 1.00 0.00 C ATOM 1435 OH TYR A 94 9.541 0.694 2.146 1.00 0.00 O ATOM 0 H TYR A 94 8.730 -3.922 -2.483 1.00 0.00 H new ATOM 0 HA TYR A 94 9.102 -5.389 0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.604 -3.839 -0.715 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.918 -4.661 0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.110 -1.822 -1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.953 -3.506 2.595 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.044 0.250 -0.387 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.880 -1.432 3.527 1.00 0.00 H new ATOM 0 HH TYR A 94 9.629 0.606 3.118 1.00 0.00 H new ATOM 1445 N LEU A 95 8.277 -6.511 -2.563 1.00 0.00 N ATOM 1446 CA LEU A 95 7.713 -7.604 -3.349 1.00 0.00 C ATOM 1447 C LEU A 95 7.772 -8.917 -2.576 1.00 0.00 C ATOM 1448 O LEU A 95 8.851 -9.399 -2.231 1.00 0.00 O ATOM 1449 CB LEU A 95 8.463 -7.745 -4.675 1.00 0.00 C ATOM 1450 CG LEU A 95 7.897 -6.952 -5.853 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.690 -7.239 -7.119 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.425 -7.279 -6.058 1.00 0.00 C ATOM 0 H LEU A 95 9.106 -6.081 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 95 6.668 -7.371 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.497 -7.438 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.482 -8.800 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 95 7.984 -5.889 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.273 -6.666 -7.947 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.731 -6.954 -6.969 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.635 -8.303 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.039 -6.705 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.314 -8.344 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.866 -7.022 -5.158 1.00 0.00 H new ATOM 1464 N TYR A 96 6.605 -9.493 -2.308 1.00 0.00 N ATOM 1465 CA TYR A 96 6.523 -10.751 -1.576 1.00 0.00 C ATOM 1466 C TYR A 96 7.036 -11.910 -2.425 1.00 0.00 C ATOM 1467 O TYR A 96 6.353 -12.375 -3.337 1.00 0.00 O ATOM 1468 CB TYR A 96 5.081 -11.021 -1.143 1.00 0.00 C ATOM 1469 CG TYR A 96 4.900 -12.340 -0.427 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.564 -12.602 0.765 1.00 0.00 C ATOM 1471 CD2 TYR A 96 4.067 -13.325 -0.944 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.402 -13.807 1.422 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.899 -14.532 -0.293 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.569 -14.768 0.890 1.00 0.00 C ATOM 1475 OH TYR A 96 4.405 -15.969 1.540 1.00 0.00 O ATOM 0 H TYR A 96 5.703 -9.108 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 96 7.152 -10.667 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.750 -10.214 -0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.437 -11.003 -2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.217 -11.852 1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.542 -13.144 -1.870 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.925 -13.995 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 96 3.247 -15.287 -0.708 1.00 0.00 H new ATOM 0 HH TYR A 96 5.279 -16.395 1.666 1.00 0.00 H new ATOM 1485 N GLU A 97 8.244 -12.371 -2.118 1.00 0.00 N ATOM 1486 CA GLU A 97 8.850 -13.475 -2.852 1.00 0.00 C ATOM 1487 C GLU A 97 8.962 -14.717 -1.973 1.00 0.00 C ATOM 1488 O GLU A 97 9.396 -15.777 -2.427 1.00 0.00 O ATOM 1489 CB GLU A 97 10.234 -13.076 -3.369 1.00 0.00 C ATOM 1490 CG GLU A 97 10.195 -12.288 -4.667 1.00 0.00 C ATOM 1491 CD GLU A 97 11.553 -11.736 -5.055 1.00 0.00 C ATOM 1492 OE1 GLU A 97 12.070 -10.867 -4.323 1.00 0.00 O ATOM 1493 OE2 GLU A 97 12.098 -12.173 -6.090 1.00 0.00 O ATOM 0 H GLU A 97 8.822 -11.997 -1.366 1.00 0.00 H new ATOM 0 HA GLU A 97 8.207 -13.708 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.739 -12.481 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.830 -13.976 -3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.826 -12.930 -5.467 1.00 0.00 H new ATOM 0 HG3 GLU A 97 9.487 -11.465 -4.567 1.00 0.00 H new ATOM 1500 N LYS A 98 8.568 -14.579 -0.712 1.00 0.00 N ATOM 1501 CA LYS A 98 8.622 -15.688 0.233 1.00 0.00 C ATOM 1502 C LYS A 98 7.415 -16.605 0.067 1.00 0.00 C ATOM 1503 O LYS A 98 6.717 -16.910 1.033 1.00 0.00 O ATOM 1504 CB LYS A 98 8.681 -15.160 1.669 1.00 0.00 C ATOM 1505 CG LYS A 98 9.956 -14.398 1.985 1.00 0.00 C ATOM 1506 CD LYS A 98 10.072 -14.097 3.469 1.00 0.00 C ATOM 1507 CE LYS A 98 10.665 -15.273 4.231 1.00 0.00 C ATOM 1508 NZ LYS A 98 10.381 -15.188 5.691 1.00 0.00 N ATOM 0 H LYS A 98 8.207 -13.709 -0.320 1.00 0.00 H new ATOM 0 HA LYS A 98 9.524 -16.264 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.825 -14.508 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 98 8.588 -15.998 2.360 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.819 -14.981 1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.973 -13.465 1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.696 -13.215 3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.087 -13.860 3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.259 -16.204 3.836 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.743 -15.303 4.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.801 -16.007 6.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.790 -14.312 6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.352 -15.186 5.845 1.00 0.00 H new ATOM 1522 N ALA A 99 7.175 -17.042 -1.166 1.00 0.00 N ATOM 1523 CA ALA A 99 6.054 -17.927 -1.458 1.00 0.00 C ATOM 1524 C ALA A 99 6.363 -18.831 -2.646 1.00 0.00 C ATOM 1525 O ALA A 99 6.378 -18.384 -3.791 1.00 0.00 O ATOM 1526 CB ALA A 99 4.796 -17.114 -1.725 1.00 0.00 C ATOM 0 H ALA A 99 7.742 -16.797 -1.978 1.00 0.00 H new ATOM 0 HA ALA A 99 5.887 -18.560 -0.587 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.967 -17.787 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.557 -16.515 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.962 -16.457 -2.578 1.00 0.00 H new ATOM 1532 N ASN A 100 6.611 -20.106 -2.364 1.00 0.00 N ATOM 1533 CA ASN A 100 6.922 -21.074 -3.410 1.00 0.00 C ATOM 1534 C ASN A 100 5.937 -22.239 -3.383 1.00 0.00 C ATOM 1535 O ASN A 100 5.792 -22.921 -2.368 1.00 0.00 O ATOM 1536 CB ASN A 100 8.351 -21.595 -3.243 1.00 0.00 C ATOM 1537 CG ASN A 100 8.557 -22.940 -3.912 1.00 0.00 C ATOM 1538 OD1 ASN A 100 8.751 -23.019 -5.125 1.00 0.00 O ATOM 1539 ND2 ASN A 100 8.517 -24.006 -3.122 1.00 0.00 N ATOM 0 H ASN A 100 6.603 -20.493 -1.420 1.00 0.00 H new ATOM 0 HA ASN A 100 6.836 -20.571 -4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.050 -20.872 -3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.582 -21.681 -2.181 1.00 0.00 H new ATOM 0 HD21 ASN A 100 8.650 -24.938 -3.515 1.00 0.00 H new ATOM 0 HD22 ASN A 100 8.353 -23.893 -2.122 1.00 0.00 H new ATOM 1546 N THR A 101 5.263 -22.462 -4.507 1.00 0.00 N ATOM 1547 CA THR A 101 4.292 -23.544 -4.613 1.00 0.00 C ATOM 1548 C THR A 101 4.979 -24.904 -4.582 1.00 0.00 C ATOM 1549 O THR A 101 6.088 -25.079 -5.087 1.00 0.00 O ATOM 1550 CB THR A 101 3.462 -23.430 -5.906 1.00 0.00 C ATOM 1551 OG1 THR A 101 4.333 -23.316 -7.037 1.00 0.00 O ATOM 1552 CG2 THR A 101 2.536 -22.225 -5.850 1.00 0.00 C ATOM 0 H THR A 101 5.372 -21.908 -5.356 1.00 0.00 H new ATOM 0 HA THR A 101 3.627 -23.456 -3.754 1.00 0.00 H new ATOM 0 HB THR A 101 2.855 -24.330 -6.003 1.00 0.00 H new ATOM 0 HG1 THR A 101 3.799 -23.246 -7.856 1.00 0.00 H new ATOM 0 HG21 THR A 101 1.960 -22.165 -6.774 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.856 -22.328 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 101 3.127 -21.317 -5.732 1.00 0.00 H new ATOM 1560 N PRO A 102 4.306 -25.894 -3.975 1.00 0.00 N ATOM 1561 CA PRO A 102 4.833 -27.258 -3.865 1.00 0.00 C ATOM 1562 C PRO A 102 4.870 -27.975 -5.210 1.00 0.00 C ATOM 1563 O PRO A 102 5.636 -28.920 -5.398 1.00 0.00 O ATOM 1564 CB PRO A 102 3.844 -27.944 -2.919 1.00 0.00 C ATOM 1565 CG PRO A 102 2.575 -27.180 -3.078 1.00 0.00 C ATOM 1566 CD PRO A 102 2.980 -25.758 -3.350 1.00 0.00 C ATOM 0 HA PRO A 102 5.863 -27.270 -3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 102 3.709 -28.994 -3.180 1.00 0.00 H new ATOM 0 HB3 PRO A 102 4.197 -27.915 -1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.979 -27.580 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 102 1.964 -27.246 -2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.273 -25.259 -4.012 1.00 0.00 H new ATOM 0 HD3 PRO A 102 3.027 -25.171 -2.433 1.00 0.00 H new ATOM 1574 N GLU A 103 4.039 -27.519 -6.142 1.00 0.00 N ATOM 1575 CA GLU A 103 3.978 -28.119 -7.469 1.00 0.00 C ATOM 1576 C GLU A 103 5.360 -28.581 -7.922 1.00 0.00 C ATOM 1577 O GLU A 103 5.520 -29.692 -8.428 1.00 0.00 O ATOM 1578 CB GLU A 103 3.406 -27.122 -8.479 1.00 0.00 C ATOM 1579 CG GLU A 103 2.925 -27.767 -9.767 1.00 0.00 C ATOM 1580 CD GLU A 103 4.009 -28.572 -10.457 1.00 0.00 C ATOM 1581 OE1 GLU A 103 5.165 -28.101 -10.491 1.00 0.00 O ATOM 1582 OE2 GLU A 103 3.702 -29.672 -10.961 1.00 0.00 O ATOM 0 H GLU A 103 3.399 -26.737 -6.002 1.00 0.00 H new ATOM 0 HA GLU A 103 3.322 -28.988 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 103 2.575 -26.588 -8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 103 4.169 -26.381 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.078 -28.417 -9.549 1.00 0.00 H new ATOM 0 HG3 GLU A 103 2.566 -26.992 -10.445 1.00 0.00 H new ATOM 1589 N SER A 104 6.355 -27.721 -7.735 1.00 0.00 N ATOM 1590 CA SER A 104 7.724 -28.037 -8.128 1.00 0.00 C ATOM 1591 C SER A 104 8.521 -28.566 -6.939 1.00 0.00 C ATOM 1592 O SER A 104 8.991 -29.703 -6.949 1.00 0.00 O ATOM 1593 CB SER A 104 8.410 -26.799 -8.707 1.00 0.00 C ATOM 1594 OG SER A 104 9.806 -27.005 -8.839 1.00 0.00 O ATOM 0 H SER A 104 6.240 -26.799 -7.314 1.00 0.00 H new ATOM 0 HA SER A 104 7.687 -28.813 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 104 7.980 -26.563 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.225 -25.941 -8.061 1.00 0.00 H new ATOM 0 HG SER A 104 10.222 -26.200 -9.213 1.00 0.00 H new ATOM 1600 N GLY A 105 8.669 -27.731 -5.915 1.00 0.00 N ATOM 1601 CA GLY A 105 9.410 -28.130 -4.733 1.00 0.00 C ATOM 1602 C GLY A 105 10.886 -27.800 -4.835 1.00 0.00 C ATOM 1603 O GLY A 105 11.331 -27.130 -5.767 1.00 0.00 O ATOM 0 H GLY A 105 8.289 -26.785 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 105 8.989 -27.633 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.290 -29.202 -4.578 1.00 0.00 H new ATOM 1607 N PRO A 106 11.671 -28.274 -3.857 1.00 0.00 N ATOM 1608 CA PRO A 106 13.117 -28.037 -3.817 1.00 0.00 C ATOM 1609 C PRO A 106 13.860 -28.793 -4.913 1.00 0.00 C ATOM 1610 O PRO A 106 14.900 -28.345 -5.394 1.00 0.00 O ATOM 1611 CB PRO A 106 13.525 -28.560 -2.437 1.00 0.00 C ATOM 1612 CG PRO A 106 12.487 -29.571 -2.093 1.00 0.00 C ATOM 1613 CD PRO A 106 11.208 -29.080 -2.714 1.00 0.00 C ATOM 0 HA PRO A 106 13.361 -26.987 -3.980 1.00 0.00 H new ATOM 0 HB2 PRO A 106 14.519 -29.006 -2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 106 13.554 -27.756 -1.702 1.00 0.00 H new ATOM 0 HG2 PRO A 106 12.756 -30.554 -2.480 1.00 0.00 H new ATOM 0 HG3 PRO A 106 12.383 -29.671 -1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 106 10.574 -29.906 -3.036 1.00 0.00 H new ATOM 0 HD3 PRO A 106 10.624 -28.484 -2.013 1.00 0.00 H new ATOM 1621 N SER A 107 13.317 -29.942 -5.305 1.00 0.00 N ATOM 1622 CA SER A 107 13.930 -30.762 -6.343 1.00 0.00 C ATOM 1623 C SER A 107 13.946 -30.025 -7.679 1.00 0.00 C ATOM 1624 O SER A 107 12.904 -29.833 -8.306 1.00 0.00 O ATOM 1625 CB SER A 107 13.178 -32.086 -6.487 1.00 0.00 C ATOM 1626 OG SER A 107 13.380 -32.913 -5.353 1.00 0.00 O ATOM 0 H SER A 107 12.454 -30.325 -4.919 1.00 0.00 H new ATOM 0 HA SER A 107 14.959 -30.967 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.113 -31.891 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 107 13.516 -32.604 -7.384 1.00 0.00 H new ATOM 0 HG SER A 107 12.888 -33.752 -5.468 1.00 0.00 H new ATOM 1632 N SER A 108 15.135 -29.615 -8.108 1.00 0.00 N ATOM 1633 CA SER A 108 15.288 -28.896 -9.367 1.00 0.00 C ATOM 1634 C SER A 108 14.592 -29.638 -10.504 1.00 0.00 C ATOM 1635 O SER A 108 14.162 -30.780 -10.344 1.00 0.00 O ATOM 1636 CB SER A 108 16.770 -28.709 -9.696 1.00 0.00 C ATOM 1637 OG SER A 108 17.345 -29.918 -10.163 1.00 0.00 O ATOM 0 H SER A 108 16.007 -29.769 -7.602 1.00 0.00 H new ATOM 0 HA SER A 108 14.822 -27.917 -9.256 1.00 0.00 H new ATOM 0 HB2 SER A 108 16.883 -27.933 -10.453 1.00 0.00 H new ATOM 0 HB3 SER A 108 17.303 -28.368 -8.808 1.00 0.00 H new ATOM 0 HG SER A 108 18.292 -29.772 -10.368 1.00 0.00 H new ATOM 1643 N GLY A 109 14.485 -28.980 -11.654 1.00 0.00 N ATOM 1644 CA GLY A 109 13.841 -29.592 -12.802 1.00 0.00 C ATOM 1645 C GLY A 109 14.633 -29.402 -14.081 1.00 0.00 C ATOM 1646 O GLY A 109 15.849 -29.215 -14.044 1.00 0.00 O ATOM 0 H GLY A 109 14.833 -28.034 -11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 109 13.709 -30.658 -12.615 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.846 -29.164 -12.927 1.00 0.00 H new TER 1650 GLY A 109