USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 826 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 32 MET CE :methyl 180:sc= -0.641 (180deg=-0.641) USER MOD Set 1.2: A 97 ASN : amide:sc=-0.00961 K(o=-0.65,f=-1.8) USER MOD Set 2.1: A 11 CYS SG : rot 3:sc= 1.1 USER MOD Set 2.2: A 13 THR OG1 : rot -87:sc= 0.831 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0391) USER MOD Single : A 9 THR OG1 : rot 104:sc= -0.801 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 18 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -0.0308 (180deg=-0.236) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 1.21 (180deg=0.843) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.879 F(o=-3,f=-0.88) USER MOD Single : A 37 LYS NZ :NH3+ -141:sc= 1.22 (180deg=0.745) USER MOD Single : A 40 THR OG1 : rot 159:sc= 1.23 USER MOD Single : A 41 GLN : amide:sc= -1.58 K(o=-1.6,f=-3.8) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 51 THR OG1 : rot 79:sc= 1.38 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.22 K(o=1.2,f=-0.029) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0954 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0307) USER MOD Single : A 71 ASN : amide:sc= -0.459 K(o=-0.46,f=-1.6) USER MOD Single : A 72 LYS NZ :NH3+ -147:sc= 0.692 (180deg=0.124) USER MOD Single : A 78 LYS NZ :NH3+ 149:sc= 1.13 (180deg=0.453) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -140:sc= 1.08 (180deg=0.339) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -13.662 0.846 -7.328 1.00 0.00 N ATOM 21 CA LYS A 2 -12.641 1.677 -7.963 1.00 0.00 C ATOM 22 C LYS A 2 -11.949 2.550 -6.930 1.00 0.00 C ATOM 23 O LYS A 2 -11.591 3.697 -7.193 1.00 0.00 O ATOM 24 CB LYS A 2 -13.238 2.527 -9.086 1.00 0.00 C ATOM 25 CG LYS A 2 -13.669 1.705 -10.288 1.00 0.00 C ATOM 26 CD LYS A 2 -14.125 2.581 -11.441 1.00 0.00 C ATOM 27 CE LYS A 2 -15.423 3.305 -11.130 1.00 0.00 C ATOM 28 NZ LYS A 2 -15.909 4.077 -12.302 1.00 0.00 N ATOM 0 HA LYS A 2 -11.897 1.017 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.098 3.076 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.504 3.267 -9.404 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.839 1.078 -10.615 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.479 1.036 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.349 3.311 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.257 1.967 -12.332 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.181 2.582 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.272 3.978 -10.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -16.797 4.559 -12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.195 4.783 -12.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -16.076 3.430 -13.099 1.00 0.00 H new ATOM 42 N ARG A 3 -11.754 1.973 -5.752 1.00 0.00 N ATOM 43 CA ARG A 3 -11.091 2.654 -4.655 1.00 0.00 C ATOM 44 C ARG A 3 -9.658 3.019 -5.034 1.00 0.00 C ATOM 45 O ARG A 3 -8.881 2.166 -5.457 1.00 0.00 O ATOM 46 CB ARG A 3 -11.091 1.759 -3.416 1.00 0.00 C ATOM 47 CG ARG A 3 -10.558 2.440 -2.169 1.00 0.00 C ATOM 48 CD ARG A 3 -11.423 3.624 -1.773 1.00 0.00 C ATOM 49 NE ARG A 3 -12.786 3.221 -1.426 1.00 0.00 N ATOM 50 CZ ARG A 3 -13.672 4.029 -0.848 1.00 0.00 C ATOM 51 NH1 ARG A 3 -13.346 5.285 -0.572 1.00 0.00 N ATOM 52 NH2 ARG A 3 -14.884 3.583 -0.548 1.00 0.00 N ATOM 0 H ARG A 3 -12.051 1.022 -5.533 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.634 3.573 -4.437 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.109 1.418 -3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.490 0.872 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.521 1.723 -1.348 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.536 2.776 -2.344 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -10.970 4.135 -0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.455 4.339 -2.595 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.074 2.266 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.415 5.633 -0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.026 5.903 -0.129 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -15.139 2.619 -0.760 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -15.561 4.204 -0.105 1.00 0.00 H new ATOM 66 N LYS A 4 -9.324 4.292 -4.899 1.00 0.00 N ATOM 67 CA LYS A 4 -7.970 4.750 -5.155 1.00 0.00 C ATOM 68 C LYS A 4 -7.105 4.460 -3.941 1.00 0.00 C ATOM 69 O LYS A 4 -7.332 5.007 -2.862 1.00 0.00 O ATOM 70 CB LYS A 4 -7.973 6.246 -5.474 1.00 0.00 C ATOM 71 CG LYS A 4 -8.936 6.618 -6.594 1.00 0.00 C ATOM 72 CD LYS A 4 -8.621 5.871 -7.881 1.00 0.00 C ATOM 73 CE LYS A 4 -9.720 6.059 -8.918 1.00 0.00 C ATOM 74 NZ LYS A 4 -9.896 7.485 -9.293 1.00 0.00 N ATOM 0 H LYS A 4 -9.972 5.026 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.561 4.221 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.239 6.802 -4.575 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.965 6.554 -5.753 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.957 6.395 -6.285 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.886 7.692 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.673 6.225 -8.286 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.499 4.809 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.481 5.477 -9.808 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.659 5.669 -8.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.630 7.563 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.183 8.031 -8.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.999 7.861 -9.661 1.00 0.00 H new ATOM 88 N ILE A 5 -6.147 3.567 -4.103 1.00 0.00 N ATOM 89 CA ILE A 5 -5.293 3.159 -2.997 1.00 0.00 C ATOM 90 C ILE A 5 -3.823 3.356 -3.343 1.00 0.00 C ATOM 91 O ILE A 5 -3.403 3.109 -4.474 1.00 0.00 O ATOM 92 CB ILE A 5 -5.536 1.674 -2.624 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.018 1.444 -2.321 1.00 0.00 C ATOM 94 CG2 ILE A 5 -4.674 1.264 -1.434 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.357 0.011 -1.971 1.00 0.00 C ATOM 0 H ILE A 5 -5.938 3.108 -4.990 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.547 3.787 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.252 1.053 -3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.314 2.089 -1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.607 1.745 -3.187 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.862 0.218 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.621 1.394 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.922 1.886 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.425 -0.071 -1.770 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.094 -0.639 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.797 -0.290 -1.086 1.00 0.00 H new ATOM 107 N ILE A 6 -3.057 3.830 -2.377 1.00 0.00 N ATOM 108 CA ILE A 6 -1.612 3.883 -2.505 1.00 0.00 C ATOM 109 C ILE A 6 -0.987 3.044 -1.402 1.00 0.00 C ATOM 110 O ILE A 6 -1.439 3.077 -0.260 1.00 0.00 O ATOM 111 CB ILE A 6 -1.030 5.325 -2.470 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.405 6.077 -1.179 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.479 6.109 -3.696 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.843 6.560 -1.118 1.00 0.00 C ATOM 0 H ILE A 6 -3.414 4.186 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.365 3.484 -3.489 1.00 0.00 H new ATOM 0 HB ILE A 6 0.056 5.235 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.220 5.422 -0.327 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.743 6.936 -1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.063 7.116 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.128 5.607 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.567 6.166 -3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.013 7.077 -0.174 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.033 7.244 -1.946 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.517 5.706 -1.191 1.00 0.00 H new ATOM 126 N ALA A 7 0.019 2.267 -1.746 1.00 0.00 N ATOM 127 CA ALA A 7 0.622 1.356 -0.795 1.00 0.00 C ATOM 128 C ALA A 7 2.117 1.255 -1.013 1.00 0.00 C ATOM 129 O ALA A 7 2.595 1.333 -2.142 1.00 0.00 O ATOM 130 CB ALA A 7 -0.023 -0.018 -0.908 1.00 0.00 C ATOM 0 H ALA A 7 0.436 2.248 -2.677 1.00 0.00 H new ATOM 0 HA ALA A 7 0.453 1.747 0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.437 -0.696 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.090 0.063 -0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.121 -0.406 -1.916 1.00 0.00 H new ATOM 136 N VAL A 8 2.855 1.100 0.070 1.00 0.00 N ATOM 137 CA VAL A 8 4.285 0.889 -0.024 1.00 0.00 C ATOM 138 C VAL A 8 4.646 -0.460 0.572 1.00 0.00 C ATOM 139 O VAL A 8 4.356 -0.737 1.739 1.00 0.00 O ATOM 140 CB VAL A 8 5.094 1.995 0.686 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.583 1.798 0.449 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.653 3.372 0.217 1.00 0.00 C ATOM 0 H VAL A 8 2.488 1.116 1.022 1.00 0.00 H new ATOM 0 HA VAL A 8 4.545 0.919 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 8 4.903 1.926 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.140 2.586 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.889 0.828 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.790 1.839 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.237 4.136 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.810 3.458 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.596 3.511 0.442 1.00 0.00 H new ATOM 152 N THR A 9 5.247 -1.302 -0.244 1.00 0.00 N ATOM 153 CA THR A 9 5.702 -2.605 0.197 1.00 0.00 C ATOM 154 C THR A 9 7.219 -2.616 0.292 1.00 0.00 C ATOM 155 O THR A 9 7.907 -2.466 -0.717 1.00 0.00 O ATOM 156 CB THR A 9 5.236 -3.709 -0.766 1.00 0.00 C ATOM 157 OG1 THR A 9 5.514 -3.318 -2.118 1.00 0.00 O ATOM 158 CG2 THR A 9 3.749 -3.979 -0.606 1.00 0.00 C ATOM 0 H THR A 9 5.433 -1.104 -1.227 1.00 0.00 H new ATOM 0 HA THR A 9 5.271 -2.802 1.179 1.00 0.00 H new ATOM 0 HB THR A 9 5.778 -4.624 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.297 -3.807 -2.445 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.445 -4.764 -1.299 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.545 -4.298 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.189 -3.069 -0.821 1.00 0.00 H new ATOM 166 N ALA A 10 7.734 -2.777 1.499 1.00 0.00 N ATOM 167 CA ALA A 10 9.169 -2.715 1.724 1.00 0.00 C ATOM 168 C ALA A 10 9.621 -3.800 2.682 1.00 0.00 C ATOM 169 O ALA A 10 8.891 -4.175 3.597 1.00 0.00 O ATOM 170 CB ALA A 10 9.554 -1.350 2.268 1.00 0.00 C ATOM 0 H ALA A 10 7.181 -2.952 2.338 1.00 0.00 H new ATOM 0 HA ALA A 10 9.667 -2.876 0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.631 -1.315 2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.271 -0.579 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.037 -1.175 3.211 1.00 0.00 H new ATOM 176 N CYS A 11 10.825 -4.299 2.471 1.00 0.00 N ATOM 177 CA CYS A 11 11.410 -5.292 3.353 1.00 0.00 C ATOM 178 C CYS A 11 12.911 -5.360 3.115 1.00 0.00 C ATOM 179 O CYS A 11 13.364 -5.369 1.969 1.00 0.00 O ATOM 180 CB CYS A 11 10.767 -6.664 3.122 1.00 0.00 C ATOM 181 SG CYS A 11 11.266 -7.927 4.317 1.00 0.00 S ATOM 0 H CYS A 11 11.422 -4.030 1.689 1.00 0.00 H new ATOM 0 HA CYS A 11 11.224 -5.003 4.387 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.683 -6.555 3.156 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.021 -7.008 2.119 1.00 0.00 H new ATOM 0 HG CYS A 11 12.056 -7.398 5.204 1.00 0.00 H new ATOM 187 N ALA A 12 13.679 -5.378 4.194 1.00 0.00 N ATOM 188 CA ALA A 12 15.127 -5.451 4.092 1.00 0.00 C ATOM 189 C ALA A 12 15.603 -6.866 4.382 1.00 0.00 C ATOM 190 O ALA A 12 16.599 -7.327 3.824 1.00 0.00 O ATOM 191 CB ALA A 12 15.777 -4.461 5.048 1.00 0.00 C ATOM 0 H ALA A 12 13.323 -5.343 5.149 1.00 0.00 H new ATOM 0 HA ALA A 12 15.420 -5.188 3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.861 -4.528 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.454 -3.450 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.481 -4.695 6.071 1.00 0.00 H new ATOM 197 N THR A 13 14.877 -7.550 5.256 1.00 0.00 N ATOM 198 CA THR A 13 15.191 -8.923 5.608 1.00 0.00 C ATOM 199 C THR A 13 14.893 -9.880 4.455 1.00 0.00 C ATOM 200 O THR A 13 15.753 -10.662 4.047 1.00 0.00 O ATOM 201 CB THR A 13 14.406 -9.357 6.857 1.00 0.00 C ATOM 202 OG1 THR A 13 13.047 -8.903 6.763 1.00 0.00 O ATOM 203 CG2 THR A 13 15.047 -8.803 8.121 1.00 0.00 C ATOM 0 H THR A 13 14.061 -7.170 5.736 1.00 0.00 H new ATOM 0 HA THR A 13 16.259 -8.966 5.822 1.00 0.00 H new ATOM 0 HB THR A 13 14.423 -10.446 6.910 1.00 0.00 H new ATOM 0 HG1 THR A 13 12.982 -7.991 7.116 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.473 -9.124 8.991 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.069 -9.174 8.203 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.059 -7.714 8.076 1.00 0.00 H new ATOM 211 N GLY A 14 13.680 -9.805 3.923 1.00 0.00 N ATOM 212 CA GLY A 14 13.277 -10.703 2.861 1.00 0.00 C ATOM 213 C GLY A 14 12.911 -9.970 1.590 1.00 0.00 C ATOM 214 O GLY A 14 11.803 -9.449 1.468 1.00 0.00 O ATOM 0 H GLY A 14 12.966 -9.135 4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.088 -11.401 2.653 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.424 -11.294 3.194 1.00 0.00 H new ATOM 218 N VAL A 15 13.839 -9.943 0.644 1.00 0.00 N ATOM 219 CA VAL A 15 13.640 -9.250 -0.628 1.00 0.00 C ATOM 220 C VAL A 15 12.419 -9.797 -1.372 1.00 0.00 C ATOM 221 O VAL A 15 11.612 -9.034 -1.908 1.00 0.00 O ATOM 222 CB VAL A 15 14.889 -9.374 -1.529 1.00 0.00 C ATOM 223 CG1 VAL A 15 14.711 -8.579 -2.816 1.00 0.00 C ATOM 224 CG2 VAL A 15 16.135 -8.917 -0.783 1.00 0.00 C ATOM 0 H VAL A 15 14.748 -10.397 0.732 1.00 0.00 H new ATOM 0 HA VAL A 15 13.470 -8.198 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 15 15.013 -10.424 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 15 15.603 -8.682 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.847 -8.958 -3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 15 14.556 -7.527 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 15 17.004 -9.012 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 15 16.018 -7.876 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 15 16.276 -9.536 0.103 1.00 0.00 H new ATOM 234 N ALA A 16 12.285 -11.119 -1.385 1.00 0.00 N ATOM 235 CA ALA A 16 11.166 -11.778 -2.053 1.00 0.00 C ATOM 236 C ALA A 16 9.830 -11.350 -1.452 1.00 0.00 C ATOM 237 O ALA A 16 8.816 -11.287 -2.147 1.00 0.00 O ATOM 238 CB ALA A 16 11.320 -13.288 -1.975 1.00 0.00 C ATOM 0 H ALA A 16 12.941 -11.759 -0.938 1.00 0.00 H new ATOM 0 HA ALA A 16 11.175 -11.474 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.479 -13.766 -2.477 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.249 -13.585 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.343 -13.598 -0.930 1.00 0.00 H new ATOM 244 N HIS A 17 9.843 -11.035 -0.158 1.00 0.00 N ATOM 245 CA HIS A 17 8.634 -10.603 0.538 1.00 0.00 C ATOM 246 C HIS A 17 8.155 -9.277 -0.022 1.00 0.00 C ATOM 247 O HIS A 17 6.958 -9.068 -0.213 1.00 0.00 O ATOM 248 CB HIS A 17 8.879 -10.468 2.046 1.00 0.00 C ATOM 249 CG HIS A 17 9.195 -11.762 2.728 1.00 0.00 C ATOM 250 ND1 HIS A 17 9.862 -11.839 3.931 1.00 0.00 N ATOM 251 CD2 HIS A 17 8.914 -13.036 2.372 1.00 0.00 C ATOM 252 CE1 HIS A 17 9.976 -13.106 4.286 1.00 0.00 C ATOM 253 NE2 HIS A 17 9.409 -13.853 3.356 1.00 0.00 N ATOM 0 H HIS A 17 10.677 -11.071 0.428 1.00 0.00 H new ATOM 0 HA HIS A 17 7.868 -11.363 0.381 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.702 -9.772 2.209 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.995 -10.031 2.510 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.396 -13.352 1.478 1.00 0.00 H new ATOM 0 HE1 HIS A 17 10.452 -13.470 5.185 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.349 -14.871 3.368 1.00 0.00 H new ATOM 262 N THR A 18 9.109 -8.397 -0.294 1.00 0.00 N ATOM 263 CA THR A 18 8.823 -7.091 -0.862 1.00 0.00 C ATOM 264 C THR A 18 8.059 -7.220 -2.177 1.00 0.00 C ATOM 265 O THR A 18 7.088 -6.503 -2.425 1.00 0.00 O ATOM 266 CB THR A 18 10.132 -6.321 -1.114 1.00 0.00 C ATOM 267 OG1 THR A 18 10.946 -6.344 0.066 1.00 0.00 O ATOM 268 CG2 THR A 18 9.848 -4.884 -1.509 1.00 0.00 C ATOM 0 H THR A 18 10.100 -8.570 -0.127 1.00 0.00 H new ATOM 0 HA THR A 18 8.207 -6.546 -0.147 1.00 0.00 H new ATOM 0 HB THR A 18 10.662 -6.807 -1.933 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.778 -5.854 -0.101 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.789 -4.361 -1.681 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.252 -4.868 -2.421 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.299 -4.388 -0.708 1.00 0.00 H new ATOM 276 N TYR A 19 8.485 -8.163 -3.004 1.00 0.00 N ATOM 277 CA TYR A 19 7.900 -8.330 -4.324 1.00 0.00 C ATOM 278 C TYR A 19 6.572 -9.061 -4.245 1.00 0.00 C ATOM 279 O TYR A 19 5.598 -8.650 -4.874 1.00 0.00 O ATOM 280 CB TYR A 19 8.865 -9.065 -5.252 1.00 0.00 C ATOM 281 CG TYR A 19 10.056 -8.224 -5.646 1.00 0.00 C ATOM 282 CD1 TYR A 19 9.917 -7.192 -6.563 1.00 0.00 C ATOM 283 CD2 TYR A 19 11.312 -8.455 -5.102 1.00 0.00 C ATOM 284 CE1 TYR A 19 10.995 -6.410 -6.924 1.00 0.00 C ATOM 285 CE2 TYR A 19 12.396 -7.677 -5.460 1.00 0.00 C ATOM 286 CZ TYR A 19 12.230 -6.657 -6.372 1.00 0.00 C ATOM 287 OH TYR A 19 13.301 -5.873 -6.732 1.00 0.00 O ATOM 0 H TYR A 19 9.232 -8.822 -2.784 1.00 0.00 H new ATOM 0 HA TYR A 19 7.714 -7.338 -4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.214 -9.973 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.332 -9.375 -6.151 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.949 -6.998 -7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.444 -9.255 -4.388 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.869 -5.608 -7.636 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.367 -7.867 -5.028 1.00 0.00 H new ATOM 0 HH TYR A 19 14.102 -6.174 -6.254 1.00 0.00 H new ATOM 297 N MET A 20 6.527 -10.130 -3.459 1.00 0.00 N ATOM 298 CA MET A 20 5.309 -10.921 -3.322 1.00 0.00 C ATOM 299 C MET A 20 4.167 -10.075 -2.780 1.00 0.00 C ATOM 300 O MET A 20 3.039 -10.158 -3.266 1.00 0.00 O ATOM 301 CB MET A 20 5.524 -12.120 -2.405 1.00 0.00 C ATOM 302 CG MET A 20 4.323 -13.049 -2.367 1.00 0.00 C ATOM 303 SD MET A 20 4.033 -13.862 -3.950 1.00 0.00 S ATOM 304 CE MET A 20 2.576 -14.830 -3.561 1.00 0.00 C ATOM 0 H MET A 20 7.316 -10.469 -2.909 1.00 0.00 H new ATOM 0 HA MET A 20 5.049 -11.281 -4.318 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.399 -12.677 -2.740 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.738 -11.767 -1.396 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.476 -13.804 -1.596 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.436 -12.481 -2.085 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.268 -15.394 -4.441 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.804 -15.521 -2.749 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.768 -14.165 -3.256 1.00 0.00 H new ATOM 314 N ALA A 21 4.466 -9.260 -1.775 1.00 0.00 N ATOM 315 CA ALA A 21 3.465 -8.392 -1.172 1.00 0.00 C ATOM 316 C ALA A 21 2.900 -7.429 -2.209 1.00 0.00 C ATOM 317 O ALA A 21 1.687 -7.239 -2.297 1.00 0.00 O ATOM 318 CB ALA A 21 4.062 -7.628 -0.001 1.00 0.00 C ATOM 0 H ALA A 21 5.395 -9.183 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 21 2.649 -9.011 -0.799 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.301 -6.984 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.418 -8.333 0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.895 -7.019 -0.351 1.00 0.00 H new ATOM 324 N ALA A 22 3.786 -6.841 -3.005 1.00 0.00 N ATOM 325 CA ALA A 22 3.381 -5.907 -4.046 1.00 0.00 C ATOM 326 C ALA A 22 2.563 -6.609 -5.124 1.00 0.00 C ATOM 327 O ALA A 22 1.584 -6.060 -5.630 1.00 0.00 O ATOM 328 CB ALA A 22 4.600 -5.237 -4.662 1.00 0.00 C ATOM 0 H ALA A 22 4.793 -6.996 -2.948 1.00 0.00 H new ATOM 0 HA ALA A 22 2.754 -5.143 -3.587 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.280 -4.542 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.145 -4.693 -3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.250 -5.995 -5.099 1.00 0.00 H new ATOM 334 N GLN A 23 2.974 -7.821 -5.479 1.00 0.00 N ATOM 335 CA GLN A 23 2.275 -8.604 -6.492 1.00 0.00 C ATOM 336 C GLN A 23 0.882 -8.989 -6.015 1.00 0.00 C ATOM 337 O GLN A 23 -0.097 -8.834 -6.749 1.00 0.00 O ATOM 338 CB GLN A 23 3.070 -9.861 -6.846 1.00 0.00 C ATOM 339 CG GLN A 23 4.358 -9.573 -7.596 1.00 0.00 C ATOM 340 CD GLN A 23 5.161 -10.824 -7.883 1.00 0.00 C ATOM 341 OE1 GLN A 23 6.016 -11.225 -7.093 1.00 0.00 O ATOM 342 NE2 GLN A 23 4.890 -11.453 -9.014 1.00 0.00 N ATOM 0 H GLN A 23 3.790 -8.284 -5.079 1.00 0.00 H new ATOM 0 HA GLN A 23 2.179 -7.985 -7.384 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.306 -10.402 -5.930 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.445 -10.517 -7.452 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.122 -9.074 -8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.966 -8.882 -7.012 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.174 -11.088 -9.642 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.397 -12.303 -9.259 1.00 0.00 H new ATOM 351 N ALA A 24 0.801 -9.483 -4.784 1.00 0.00 N ATOM 352 CA ALA A 24 -0.470 -9.894 -4.202 1.00 0.00 C ATOM 353 C ALA A 24 -1.430 -8.715 -4.101 1.00 0.00 C ATOM 354 O ALA A 24 -2.610 -8.836 -4.434 1.00 0.00 O ATOM 355 CB ALA A 24 -0.249 -10.522 -2.833 1.00 0.00 C ATOM 0 H ALA A 24 1.605 -9.608 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.919 -10.640 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.208 -10.824 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.394 -11.396 -2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.225 -9.796 -2.172 1.00 0.00 H new ATOM 361 N LEU A 25 -0.917 -7.577 -3.650 1.00 0.00 N ATOM 362 CA LEU A 25 -1.726 -6.363 -3.547 1.00 0.00 C ATOM 363 C LEU A 25 -2.215 -5.901 -4.917 1.00 0.00 C ATOM 364 O LEU A 25 -3.379 -5.537 -5.076 1.00 0.00 O ATOM 365 CB LEU A 25 -0.940 -5.237 -2.875 1.00 0.00 C ATOM 366 CG LEU A 25 -0.764 -5.380 -1.365 1.00 0.00 C ATOM 367 CD1 LEU A 25 0.048 -4.218 -0.814 1.00 0.00 C ATOM 368 CD2 LEU A 25 -2.123 -5.449 -0.683 1.00 0.00 C ATOM 0 H LEU A 25 0.052 -7.467 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.593 -6.606 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.046 -5.178 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.444 -4.292 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.224 -6.305 -1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.165 -4.334 0.263 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.030 -4.204 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.468 -3.281 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.985 -5.551 0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.682 -4.537 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.676 -6.309 -1.061 1.00 0.00 H new ATOM 380 N LYS A 26 -1.326 -5.930 -5.904 1.00 0.00 N ATOM 381 CA LYS A 26 -1.666 -5.486 -7.252 1.00 0.00 C ATOM 382 C LYS A 26 -2.729 -6.394 -7.872 1.00 0.00 C ATOM 383 O LYS A 26 -3.554 -5.947 -8.674 1.00 0.00 O ATOM 384 CB LYS A 26 -0.409 -5.440 -8.126 1.00 0.00 C ATOM 385 CG LYS A 26 -0.649 -4.872 -9.516 1.00 0.00 C ATOM 386 CD LYS A 26 0.635 -4.827 -10.332 1.00 0.00 C ATOM 387 CE LYS A 26 1.611 -3.801 -9.779 1.00 0.00 C ATOM 388 NZ LYS A 26 2.900 -3.810 -10.517 1.00 0.00 N ATOM 0 H LYS A 26 -0.365 -6.256 -5.797 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.082 -4.480 -7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.349 -4.839 -7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.006 -6.448 -8.220 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.390 -5.480 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.063 -3.867 -9.433 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.102 -5.812 -10.332 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.400 -4.586 -11.369 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.166 -2.808 -9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.795 -4.006 -8.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.538 -3.097 -10.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.338 -4.750 -10.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.728 -3.589 -11.519 1.00 0.00 H new ATOM 402 N LYS A 27 -2.711 -7.669 -7.499 1.00 0.00 N ATOM 403 CA LYS A 27 -3.729 -8.611 -7.951 1.00 0.00 C ATOM 404 C LYS A 27 -5.028 -8.391 -7.183 1.00 0.00 C ATOM 405 O LYS A 27 -6.102 -8.309 -7.775 1.00 0.00 O ATOM 406 CB LYS A 27 -3.259 -10.057 -7.774 1.00 0.00 C ATOM 407 CG LYS A 27 -2.140 -10.462 -8.723 1.00 0.00 C ATOM 408 CD LYS A 27 -2.565 -10.350 -10.180 1.00 0.00 C ATOM 409 CE LYS A 27 -3.618 -11.385 -10.554 1.00 0.00 C ATOM 410 NZ LYS A 27 -3.095 -12.774 -10.453 1.00 0.00 N ATOM 0 H LYS A 27 -2.004 -8.074 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.904 -8.434 -9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.920 -10.195 -6.747 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.107 -10.725 -7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.269 -9.830 -8.549 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.837 -11.487 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.958 -9.351 -10.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.693 -10.474 -10.822 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.483 -11.275 -9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.962 -11.200 -11.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.747 -13.426 -10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.159 -12.826 -10.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.013 -13.042 -9.452 1.00 0.00 H new ATOM 424 N GLY A 28 -4.912 -8.298 -5.863 1.00 0.00 N ATOM 425 CA GLY A 28 -6.069 -8.067 -5.009 1.00 0.00 C ATOM 426 C GLY A 28 -6.825 -6.801 -5.367 1.00 0.00 C ATOM 427 O GLY A 28 -8.044 -6.733 -5.215 1.00 0.00 O ATOM 0 H GLY A 28 -4.027 -8.379 -5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.744 -8.920 -5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.742 -8.007 -3.971 1.00 0.00 H new ATOM 431 N ALA A 29 -6.098 -5.796 -5.832 1.00 0.00 N ATOM 432 CA ALA A 29 -6.705 -4.555 -6.296 1.00 0.00 C ATOM 433 C ALA A 29 -7.688 -4.819 -7.429 1.00 0.00 C ATOM 434 O ALA A 29 -8.840 -4.399 -7.372 1.00 0.00 O ATOM 435 CB ALA A 29 -5.633 -3.581 -6.749 1.00 0.00 C ATOM 0 H ALA A 29 -5.080 -5.815 -5.899 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.254 -4.115 -5.464 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.101 -2.659 -7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.966 -3.361 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.061 -4.023 -7.564 1.00 0.00 H new ATOM 441 N LYS A 30 -7.235 -5.532 -8.453 1.00 0.00 N ATOM 442 CA LYS A 30 -8.096 -5.875 -9.579 1.00 0.00 C ATOM 443 C LYS A 30 -9.170 -6.871 -9.152 1.00 0.00 C ATOM 444 O LYS A 30 -10.251 -6.921 -9.736 1.00 0.00 O ATOM 445 CB LYS A 30 -7.280 -6.435 -10.746 1.00 0.00 C ATOM 446 CG LYS A 30 -6.874 -5.385 -11.774 1.00 0.00 C ATOM 447 CD LYS A 30 -5.939 -4.331 -11.197 1.00 0.00 C ATOM 448 CE LYS A 30 -5.635 -3.244 -12.222 1.00 0.00 C ATOM 449 NZ LYS A 30 -4.698 -2.210 -11.700 1.00 0.00 N ATOM 0 H LYS A 30 -6.280 -5.883 -8.527 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.585 -4.961 -9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.382 -6.912 -10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.861 -7.211 -11.244 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.386 -5.876 -12.616 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.768 -4.898 -12.163 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.392 -3.884 -10.312 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.010 -4.802 -10.876 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.206 -3.701 -13.114 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.566 -2.765 -12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.525 -1.495 -12.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.116 -1.753 -10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.798 -2.659 -11.435 1.00 0.00 H new ATOM 463 N LYS A 31 -8.866 -7.646 -8.117 1.00 0.00 N ATOM 464 CA LYS A 31 -9.812 -8.596 -7.542 1.00 0.00 C ATOM 465 C LYS A 31 -11.027 -7.859 -6.981 1.00 0.00 C ATOM 466 O LYS A 31 -12.156 -8.340 -7.064 1.00 0.00 O ATOM 467 CB LYS A 31 -9.115 -9.393 -6.433 1.00 0.00 C ATOM 468 CG LYS A 31 -9.996 -10.395 -5.705 1.00 0.00 C ATOM 469 CD LYS A 31 -10.578 -11.435 -6.645 1.00 0.00 C ATOM 470 CE LYS A 31 -11.254 -12.558 -5.874 1.00 0.00 C ATOM 471 NZ LYS A 31 -12.205 -12.043 -4.853 1.00 0.00 N ATOM 0 H LYS A 31 -7.958 -7.634 -7.653 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.155 -9.280 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.269 -9.925 -6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.710 -8.692 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.413 -10.893 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.807 -9.867 -5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.299 -10.963 -7.312 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.786 -11.846 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.786 -13.206 -6.570 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.495 -13.170 -5.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.833 -12.812 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.674 -11.681 -4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.774 -11.275 -5.264 1.00 0.00 H new ATOM 485 N MET A 32 -10.784 -6.683 -6.417 1.00 0.00 N ATOM 486 CA MET A 32 -11.855 -5.873 -5.851 1.00 0.00 C ATOM 487 C MET A 32 -12.261 -4.747 -6.795 1.00 0.00 C ATOM 488 O MET A 32 -13.129 -3.934 -6.468 1.00 0.00 O ATOM 489 CB MET A 32 -11.427 -5.289 -4.506 1.00 0.00 C ATOM 490 CG MET A 32 -11.242 -6.336 -3.427 1.00 0.00 C ATOM 491 SD MET A 32 -10.961 -5.604 -1.806 1.00 0.00 S ATOM 492 CE MET A 32 -11.053 -7.056 -0.768 1.00 0.00 C ATOM 0 H MET A 32 -9.855 -6.269 -6.339 1.00 0.00 H new ATOM 0 HA MET A 32 -12.717 -6.524 -5.705 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.493 -4.743 -4.636 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.175 -4.567 -4.177 1.00 0.00 H new ATOM 0 HG2 MET A 32 -12.125 -6.974 -3.387 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.398 -6.976 -3.686 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.899 -6.770 0.272 1.00 0.00 H new ATOM 0 HE2 MET A 32 -12.034 -7.518 -0.875 1.00 0.00 H new ATOM 0 HE3 MET A 32 -10.282 -7.766 -1.067 1.00 0.00 H new ATOM 502 N GLY A 33 -11.622 -4.702 -7.957 1.00 0.00 N ATOM 503 CA GLY A 33 -11.941 -3.695 -8.953 1.00 0.00 C ATOM 504 C GLY A 33 -11.550 -2.295 -8.523 1.00 0.00 C ATOM 505 O GLY A 33 -12.318 -1.352 -8.706 1.00 0.00 O ATOM 0 H GLY A 33 -10.883 -5.350 -8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.431 -3.939 -9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.011 -3.721 -9.159 1.00 0.00 H new ATOM 509 N ASN A 34 -10.368 -2.154 -7.937 1.00 0.00 N ATOM 510 CA ASN A 34 -9.878 -0.842 -7.536 1.00 0.00 C ATOM 511 C ASN A 34 -8.536 -0.537 -8.186 1.00 0.00 C ATOM 512 O ASN A 34 -7.950 -1.385 -8.865 1.00 0.00 O ATOM 513 CB ASN A 34 -9.764 -0.722 -6.010 1.00 0.00 C ATOM 514 CG ASN A 34 -8.771 -1.685 -5.389 1.00 0.00 C ATOM 515 OD1 ASN A 34 -9.266 -2.806 -4.891 1.00 0.00 O flip ATOM 516 ND2 ASN A 34 -7.575 -1.409 -5.325 1.00 0.00 N flip ATOM 0 H ASN A 34 -9.735 -2.926 -7.730 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.608 -0.109 -7.880 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.473 0.297 -5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.746 -0.893 -5.568 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.232 -0.534 -5.721 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.926 -2.055 -4.876 1.00 0.00 H new ATOM 523 N LEU A 35 -8.058 0.680 -7.969 1.00 0.00 N ATOM 524 CA LEU A 35 -6.825 1.147 -8.589 1.00 0.00 C ATOM 525 C LEU A 35 -5.777 1.430 -7.524 1.00 0.00 C ATOM 526 O LEU A 35 -5.920 2.362 -6.728 1.00 0.00 O ATOM 527 CB LEU A 35 -7.068 2.413 -9.426 1.00 0.00 C ATOM 528 CG LEU A 35 -7.887 2.227 -10.711 1.00 0.00 C ATOM 529 CD1 LEU A 35 -9.367 2.038 -10.406 1.00 0.00 C ATOM 530 CD2 LEU A 35 -7.681 3.413 -11.640 1.00 0.00 C ATOM 0 H LEU A 35 -8.509 1.366 -7.364 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.465 0.360 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.575 3.146 -8.799 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.101 2.838 -9.694 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.535 1.323 -11.207 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.917 1.909 -11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.500 1.155 -9.781 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.745 2.915 -9.880 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.267 3.270 -12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.003 4.327 -11.141 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.625 3.494 -11.898 1.00 0.00 H new ATOM 542 N ILE A 36 -4.717 0.635 -7.519 1.00 0.00 N ATOM 543 CA ILE A 36 -3.694 0.747 -6.496 1.00 0.00 C ATOM 544 C ILE A 36 -2.371 1.231 -7.087 1.00 0.00 C ATOM 545 O ILE A 36 -2.012 0.898 -8.219 1.00 0.00 O ATOM 546 CB ILE A 36 -3.469 -0.605 -5.771 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.587 -0.406 -4.531 1.00 0.00 C ATOM 548 CG2 ILE A 36 -2.844 -1.629 -6.714 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.387 -1.666 -3.718 1.00 0.00 C ATOM 0 H ILE A 36 -4.545 -0.093 -8.212 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.049 1.480 -5.772 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.438 -0.987 -5.450 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.614 -0.029 -4.845 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.035 0.358 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.696 -2.569 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.506 -1.793 -7.564 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.883 -1.257 -7.069 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.754 -1.448 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.353 -2.033 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.910 -2.426 -4.336 1.00 0.00 H new ATOM 561 N LYS A 37 -1.675 2.042 -6.313 1.00 0.00 N ATOM 562 CA LYS A 37 -0.312 2.431 -6.619 1.00 0.00 C ATOM 563 C LYS A 37 0.600 1.891 -5.530 1.00 0.00 C ATOM 564 O LYS A 37 0.618 2.406 -4.414 1.00 0.00 O ATOM 565 CB LYS A 37 -0.179 3.957 -6.705 1.00 0.00 C ATOM 566 CG LYS A 37 -0.383 4.538 -8.099 1.00 0.00 C ATOM 567 CD LYS A 37 0.661 4.020 -9.075 1.00 0.00 C ATOM 568 CE LYS A 37 0.871 4.974 -10.243 1.00 0.00 C ATOM 569 NZ LYS A 37 -0.387 5.264 -10.978 1.00 0.00 N ATOM 0 H LYS A 37 -2.040 2.450 -5.452 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.031 2.019 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.904 4.410 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.811 4.242 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.379 4.281 -8.459 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.331 5.626 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.606 3.874 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.352 3.046 -9.453 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.295 5.908 -9.873 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.599 4.545 -10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.191 5.307 -11.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.080 4.512 -10.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.772 6.177 -10.661 1.00 0.00 H new ATOM 583 N VAL A 38 1.326 0.833 -5.844 1.00 0.00 N ATOM 584 CA VAL A 38 2.193 0.196 -4.866 1.00 0.00 C ATOM 585 C VAL A 38 3.665 0.456 -5.181 1.00 0.00 C ATOM 586 O VAL A 38 4.129 0.215 -6.296 1.00 0.00 O ATOM 587 CB VAL A 38 1.921 -1.327 -4.775 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.087 -2.007 -6.128 1.00 0.00 C ATOM 589 CG2 VAL A 38 2.820 -1.975 -3.734 1.00 0.00 C ATOM 0 H VAL A 38 1.333 0.397 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 38 1.966 0.639 -3.896 1.00 0.00 H new ATOM 0 HB VAL A 38 0.884 -1.457 -4.465 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.889 -3.074 -6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.386 -1.574 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.106 -1.860 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.611 -3.044 -3.688 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.864 -1.821 -4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.630 -1.526 -2.759 1.00 0.00 H new ATOM 599 N GLU A 39 4.385 0.979 -4.199 1.00 0.00 N ATOM 600 CA GLU A 39 5.811 1.218 -4.341 1.00 0.00 C ATOM 601 C GLU A 39 6.583 0.047 -3.757 1.00 0.00 C ATOM 602 O GLU A 39 6.563 -0.186 -2.547 1.00 0.00 O ATOM 603 CB GLU A 39 6.225 2.524 -3.645 1.00 0.00 C ATOM 604 CG GLU A 39 7.710 2.847 -3.783 1.00 0.00 C ATOM 605 CD GLU A 39 8.063 4.242 -3.302 1.00 0.00 C ATOM 606 OE1 GLU A 39 8.196 4.440 -2.077 1.00 0.00 O ATOM 607 OE2 GLU A 39 8.225 5.147 -4.154 1.00 0.00 O ATOM 0 H GLU A 39 4.002 1.246 -3.292 1.00 0.00 H new ATOM 0 HA GLU A 39 6.042 1.315 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.643 3.347 -4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.973 2.457 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.289 2.117 -3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.002 2.745 -4.828 1.00 0.00 H new ATOM 614 N THR A 40 7.227 -0.710 -4.624 1.00 0.00 N ATOM 615 CA THR A 40 8.042 -1.825 -4.193 1.00 0.00 C ATOM 616 C THR A 40 9.409 -1.316 -3.742 1.00 0.00 C ATOM 617 O THR A 40 10.278 -1.030 -4.568 1.00 0.00 O ATOM 618 CB THR A 40 8.213 -2.840 -5.336 1.00 0.00 C ATOM 619 OG1 THR A 40 6.978 -2.970 -6.056 1.00 0.00 O ATOM 620 CG2 THR A 40 8.634 -4.198 -4.798 1.00 0.00 C ATOM 0 H THR A 40 7.200 -0.571 -5.634 1.00 0.00 H new ATOM 0 HA THR A 40 7.546 -2.322 -3.359 1.00 0.00 H new ATOM 0 HB THR A 40 8.993 -2.476 -6.005 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.158 -3.323 -6.952 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.748 -4.898 -5.626 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.583 -4.102 -4.270 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.873 -4.569 -4.111 1.00 0.00 H new ATOM 628 N GLN A 41 9.580 -1.165 -2.438 1.00 0.00 N ATOM 629 CA GLN A 41 10.827 -0.658 -1.891 1.00 0.00 C ATOM 630 C GLN A 41 11.753 -1.820 -1.561 1.00 0.00 C ATOM 631 O GLN A 41 11.595 -2.495 -0.545 1.00 0.00 O ATOM 632 CB GLN A 41 10.553 0.196 -0.650 1.00 0.00 C ATOM 633 CG GLN A 41 11.705 1.109 -0.266 1.00 0.00 C ATOM 634 CD GLN A 41 12.411 0.692 1.007 1.00 0.00 C ATOM 635 OE1 GLN A 41 12.517 -0.492 1.330 1.00 0.00 O ATOM 636 NE2 GLN A 41 12.900 1.676 1.739 1.00 0.00 N ATOM 0 H GLN A 41 8.871 -1.387 -1.739 1.00 0.00 H new ATOM 0 HA GLN A 41 11.316 -0.026 -2.633 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.665 0.802 -0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.328 -0.462 0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.428 1.131 -1.082 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.328 2.125 -0.147 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.789 2.643 1.433 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.389 1.469 2.610 1.00 0.00 H new ATOM 645 N GLY A 42 12.714 -2.051 -2.440 1.00 0.00 N ATOM 646 CA GLY A 42 13.603 -3.186 -2.300 1.00 0.00 C ATOM 647 C GLY A 42 14.777 -2.872 -1.402 1.00 0.00 C ATOM 648 O GLY A 42 15.932 -3.011 -1.813 1.00 0.00 O ATOM 0 H GLY A 42 12.896 -1.467 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.050 -4.033 -1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.967 -3.486 -3.283 1.00 0.00 H new ATOM 652 N ALA A 43 14.466 -2.430 -0.184 1.00 0.00 N ATOM 653 CA ALA A 43 15.470 -2.048 0.804 1.00 0.00 C ATOM 654 C ALA A 43 16.239 -0.830 0.318 1.00 0.00 C ATOM 655 O ALA A 43 17.297 -0.950 -0.301 1.00 0.00 O ATOM 656 CB ALA A 43 16.411 -3.204 1.124 1.00 0.00 C ATOM 0 H ALA A 43 13.506 -2.327 0.145 1.00 0.00 H new ATOM 0 HA ALA A 43 14.957 -1.790 1.731 1.00 0.00 H new ATOM 0 HB1 ALA A 43 17.145 -2.882 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.837 -4.041 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.925 -3.517 0.215 1.00 0.00 H new ATOM 662 N THR A 44 15.654 0.341 0.560 1.00 0.00 N ATOM 663 CA THR A 44 16.218 1.623 0.137 1.00 0.00 C ATOM 664 C THR A 44 16.012 1.856 -1.370 1.00 0.00 C ATOM 665 O THR A 44 15.801 2.987 -1.806 1.00 0.00 O ATOM 666 CB THR A 44 17.715 1.740 0.503 1.00 0.00 C ATOM 667 OG1 THR A 44 17.903 1.410 1.890 1.00 0.00 O ATOM 668 CG2 THR A 44 18.231 3.149 0.250 1.00 0.00 C ATOM 0 H THR A 44 14.769 0.429 1.059 1.00 0.00 H new ATOM 0 HA THR A 44 15.680 2.400 0.680 1.00 0.00 H new ATOM 0 HB THR A 44 18.273 1.046 -0.125 1.00 0.00 H new ATOM 0 HG1 THR A 44 18.853 1.484 2.118 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.287 3.203 0.516 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.109 3.397 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.667 3.857 0.857 1.00 0.00 H new ATOM 676 N GLY A 45 16.051 0.784 -2.156 1.00 0.00 N ATOM 677 CA GLY A 45 15.797 0.891 -3.582 1.00 0.00 C ATOM 678 C GLY A 45 14.313 0.975 -3.881 1.00 0.00 C ATOM 679 O GLY A 45 13.493 0.549 -3.073 1.00 0.00 O ATOM 0 H GLY A 45 16.255 -0.160 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.298 1.775 -3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.223 0.028 -4.094 1.00 0.00 H new ATOM 683 N ILE A 46 13.961 1.506 -5.043 1.00 0.00 N ATOM 684 CA ILE A 46 12.561 1.729 -5.384 1.00 0.00 C ATOM 685 C ILE A 46 12.226 1.126 -6.748 1.00 0.00 C ATOM 686 O ILE A 46 12.944 1.344 -7.722 1.00 0.00 O ATOM 687 CB ILE A 46 12.226 3.243 -5.408 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.475 3.881 -4.038 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.787 3.476 -5.852 1.00 0.00 C ATOM 690 CD1 ILE A 46 11.602 3.321 -2.935 1.00 0.00 C ATOM 0 H ILE A 46 14.623 1.790 -5.765 1.00 0.00 H new ATOM 0 HA ILE A 46 11.962 1.240 -4.615 1.00 0.00 H new ATOM 0 HB ILE A 46 12.888 3.719 -6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 46 13.521 3.740 -3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 46 12.306 4.955 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.577 4.546 -5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.645 3.071 -6.854 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.108 2.979 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.836 3.822 -1.996 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.553 3.485 -3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.787 2.252 -2.832 1.00 0.00 H new ATOM 702 N GLU A 47 11.140 0.365 -6.815 1.00 0.00 N ATOM 703 CA GLU A 47 10.688 -0.216 -8.076 1.00 0.00 C ATOM 704 C GLU A 47 9.640 0.672 -8.755 1.00 0.00 C ATOM 705 O GLU A 47 9.625 0.803 -9.980 1.00 0.00 O ATOM 706 CB GLU A 47 10.103 -1.611 -7.843 1.00 0.00 C ATOM 707 CG GLU A 47 9.612 -2.285 -9.114 1.00 0.00 C ATOM 708 CD GLU A 47 8.781 -3.521 -8.845 1.00 0.00 C ATOM 709 OE1 GLU A 47 7.553 -3.386 -8.641 1.00 0.00 O ATOM 710 OE2 GLU A 47 9.339 -4.632 -8.852 1.00 0.00 O ATOM 0 H GLU A 47 10.555 0.135 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 47 11.555 -0.292 -8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.861 -2.241 -7.377 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.275 -1.536 -7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.020 -1.574 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.470 -2.557 -9.729 1.00 0.00 H new ATOM 717 N ASN A 48 8.780 1.296 -7.958 1.00 0.00 N ATOM 718 CA ASN A 48 7.644 2.041 -8.496 1.00 0.00 C ATOM 719 C ASN A 48 7.342 3.258 -7.639 1.00 0.00 C ATOM 720 O ASN A 48 6.671 3.145 -6.621 1.00 0.00 O ATOM 721 CB ASN A 48 6.397 1.150 -8.557 1.00 0.00 C ATOM 722 CG ASN A 48 5.215 1.845 -9.213 1.00 0.00 C ATOM 723 OD1 ASN A 48 5.035 1.778 -10.427 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.399 2.515 -8.412 1.00 0.00 N ATOM 0 H ASN A 48 8.846 1.302 -6.940 1.00 0.00 H new ATOM 0 HA ASN A 48 7.908 2.367 -9.502 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.631 0.240 -9.110 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.121 0.847 -7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.588 2.998 -8.798 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.582 2.547 -7.409 1.00 0.00 H new ATOM 731 N GLU A 49 7.851 4.408 -8.049 1.00 0.00 N ATOM 732 CA GLU A 49 7.605 5.656 -7.332 1.00 0.00 C ATOM 733 C GLU A 49 6.115 5.946 -7.214 1.00 0.00 C ATOM 734 O GLU A 49 5.366 5.830 -8.187 1.00 0.00 O ATOM 735 CB GLU A 49 8.262 6.838 -8.043 1.00 0.00 C ATOM 736 CG GLU A 49 9.776 6.814 -8.041 1.00 0.00 C ATOM 737 CD GLU A 49 10.354 8.074 -8.649 1.00 0.00 C ATOM 738 OE1 GLU A 49 10.553 9.061 -7.908 1.00 0.00 O ATOM 739 OE2 GLU A 49 10.585 8.091 -9.876 1.00 0.00 O ATOM 0 H GLU A 49 8.439 4.507 -8.876 1.00 0.00 H new ATOM 0 HA GLU A 49 8.035 5.532 -6.338 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.914 6.863 -9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.926 7.761 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.137 6.704 -7.019 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.127 5.946 -8.599 1.00 0.00 H new ATOM 746 N LEU A 50 5.691 6.325 -6.021 1.00 0.00 N ATOM 747 CA LEU A 50 4.331 6.789 -5.819 1.00 0.00 C ATOM 748 C LEU A 50 4.273 8.296 -6.000 1.00 0.00 C ATOM 749 O LEU A 50 4.689 9.059 -5.122 1.00 0.00 O ATOM 750 CB LEU A 50 3.812 6.390 -4.436 1.00 0.00 C ATOM 751 CG LEU A 50 3.781 4.887 -4.175 1.00 0.00 C ATOM 752 CD1 LEU A 50 3.029 4.579 -2.893 1.00 0.00 C ATOM 753 CD2 LEU A 50 3.164 4.155 -5.355 1.00 0.00 C ATOM 0 H LEU A 50 6.268 6.320 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 50 3.688 6.316 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.436 6.864 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.804 6.787 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 50 4.806 4.537 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.019 3.502 -2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.522 5.071 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.005 4.943 -2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.150 3.084 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.145 4.508 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.754 4.347 -6.251 1.00 0.00 H new ATOM 765 N THR A 51 3.774 8.715 -7.151 1.00 0.00 N ATOM 766 CA THR A 51 3.757 10.117 -7.508 1.00 0.00 C ATOM 767 C THR A 51 2.806 10.913 -6.623 1.00 0.00 C ATOM 768 O THR A 51 1.830 10.376 -6.088 1.00 0.00 O ATOM 769 CB THR A 51 3.377 10.292 -8.984 1.00 0.00 C ATOM 770 OG1 THR A 51 2.771 9.086 -9.471 1.00 0.00 O ATOM 771 CG2 THR A 51 4.599 10.619 -9.828 1.00 0.00 C ATOM 0 H THR A 51 3.373 8.096 -7.856 1.00 0.00 H new ATOM 0 HA THR A 51 4.763 10.506 -7.351 1.00 0.00 H new ATOM 0 HB THR A 51 2.673 11.120 -9.060 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.835 9.050 -9.181 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.301 10.738 -10.870 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.050 11.545 -9.472 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.324 9.809 -9.748 1.00 0.00 H new ATOM 779 N GLU A 52 3.102 12.197 -6.485 1.00 0.00 N ATOM 780 CA GLU A 52 2.376 13.085 -5.588 1.00 0.00 C ATOM 781 C GLU A 52 0.889 13.126 -5.936 1.00 0.00 C ATOM 782 O GLU A 52 0.033 13.109 -5.049 1.00 0.00 O ATOM 783 CB GLU A 52 2.988 14.482 -5.668 1.00 0.00 C ATOM 784 CG GLU A 52 2.428 15.473 -4.667 1.00 0.00 C ATOM 785 CD GLU A 52 3.127 16.811 -4.749 1.00 0.00 C ATOM 786 OE1 GLU A 52 2.694 17.665 -5.557 1.00 0.00 O ATOM 787 OE2 GLU A 52 4.120 17.012 -4.019 1.00 0.00 O ATOM 0 H GLU A 52 3.857 12.655 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 52 2.460 12.708 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.065 14.402 -5.517 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.835 14.875 -6.673 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.362 15.609 -4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.532 15.070 -3.660 1.00 0.00 H new ATOM 794 N LYS A 53 0.597 13.172 -7.229 1.00 0.00 N ATOM 795 CA LYS A 53 -0.780 13.179 -7.716 1.00 0.00 C ATOM 796 C LYS A 53 -1.546 11.944 -7.236 1.00 0.00 C ATOM 797 O LYS A 53 -2.658 12.059 -6.723 1.00 0.00 O ATOM 798 CB LYS A 53 -0.795 13.246 -9.249 1.00 0.00 C ATOM 799 CG LYS A 53 0.020 12.144 -9.907 1.00 0.00 C ATOM 800 CD LYS A 53 0.036 12.262 -11.416 1.00 0.00 C ATOM 801 CE LYS A 53 0.798 11.104 -12.035 1.00 0.00 C ATOM 802 NZ LYS A 53 0.853 11.200 -13.513 1.00 0.00 N ATOM 0 H LYS A 53 1.301 13.205 -7.967 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.277 14.061 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.826 13.184 -9.598 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.408 14.214 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.043 12.178 -9.532 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.391 11.174 -9.625 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.986 12.276 -11.796 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.498 13.205 -11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.812 11.083 -11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.324 10.165 -11.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.382 10.390 -13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.113 11.194 -13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.329 12.084 -13.786 1.00 0.00 H new ATOM 816 N ASP A 54 -0.932 10.773 -7.378 1.00 0.00 N ATOM 817 CA ASP A 54 -1.579 9.511 -7.029 1.00 0.00 C ATOM 818 C ASP A 54 -1.858 9.435 -5.541 1.00 0.00 C ATOM 819 O ASP A 54 -2.873 8.888 -5.119 1.00 0.00 O ATOM 820 CB ASP A 54 -0.723 8.320 -7.465 1.00 0.00 C ATOM 821 CG ASP A 54 -0.645 8.176 -8.971 1.00 0.00 C ATOM 822 OD1 ASP A 54 0.218 8.830 -9.588 1.00 0.00 O ATOM 823 OD2 ASP A 54 -1.441 7.399 -9.546 1.00 0.00 O ATOM 0 H ASP A 54 0.018 10.671 -7.734 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.530 9.470 -7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.283 8.435 -7.063 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.135 7.406 -7.038 1.00 0.00 H new ATOM 828 N VAL A 55 -0.956 9.993 -4.753 1.00 0.00 N ATOM 829 CA VAL A 55 -1.109 10.007 -3.309 1.00 0.00 C ATOM 830 C VAL A 55 -2.308 10.852 -2.888 1.00 0.00 C ATOM 831 O VAL A 55 -3.085 10.454 -2.022 1.00 0.00 O ATOM 832 CB VAL A 55 0.157 10.546 -2.624 1.00 0.00 C ATOM 833 CG1 VAL A 55 -0.052 10.639 -1.123 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.350 9.662 -2.950 1.00 0.00 C ATOM 0 H VAL A 55 -0.106 10.444 -5.091 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.274 8.976 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 55 0.360 11.548 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.854 11.022 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.883 11.312 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.277 9.649 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.240 10.056 -2.458 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.159 8.648 -2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.508 9.647 -4.028 1.00 0.00 H new ATOM 844 N ASN A 56 -2.453 12.015 -3.509 1.00 0.00 N ATOM 845 CA ASN A 56 -3.556 12.915 -3.187 1.00 0.00 C ATOM 846 C ASN A 56 -4.894 12.337 -3.641 1.00 0.00 C ATOM 847 O ASN A 56 -5.924 12.562 -3.007 1.00 0.00 O ATOM 848 CB ASN A 56 -3.341 14.296 -3.814 1.00 0.00 C ATOM 849 CG ASN A 56 -2.327 15.138 -3.058 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.674 15.855 -2.119 1.00 0.00 O ATOM 851 ND2 ASN A 56 -1.066 15.062 -3.454 1.00 0.00 N ATOM 0 H ASN A 56 -1.825 12.358 -4.236 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.579 13.025 -2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.008 14.173 -4.845 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.293 14.826 -3.848 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.348 15.608 -2.977 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.812 14.458 -4.236 1.00 0.00 H new ATOM 858 N ILE A 57 -4.874 11.595 -4.743 1.00 0.00 N ATOM 859 CA ILE A 57 -6.080 10.947 -5.249 1.00 0.00 C ATOM 860 C ILE A 57 -6.426 9.723 -4.401 1.00 0.00 C ATOM 861 O ILE A 57 -7.589 9.496 -4.063 1.00 0.00 O ATOM 862 CB ILE A 57 -5.915 10.525 -6.728 1.00 0.00 C ATOM 863 CG1 ILE A 57 -5.653 11.753 -7.604 1.00 0.00 C ATOM 864 CG2 ILE A 57 -7.151 9.784 -7.215 1.00 0.00 C ATOM 865 CD1 ILE A 57 -5.401 11.418 -9.059 1.00 0.00 C ATOM 0 H ILE A 57 -4.038 11.427 -5.303 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.893 11.671 -5.186 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.060 9.853 -6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.508 12.425 -7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.792 12.293 -7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.015 9.496 -8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.303 8.891 -6.608 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.022 10.433 -7.129 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.223 12.337 -9.618 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.527 10.771 -9.137 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.271 10.905 -9.470 1.00 0.00 H new ATOM 877 N GLY A 58 -5.403 8.946 -4.064 1.00 0.00 N ATOM 878 CA GLY A 58 -5.588 7.763 -3.246 1.00 0.00 C ATOM 879 C GLY A 58 -6.151 8.072 -1.872 1.00 0.00 C ATOM 880 O GLY A 58 -5.776 9.061 -1.238 1.00 0.00 O ATOM 0 H GLY A 58 -4.438 9.118 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.258 7.074 -3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.631 7.253 -3.134 1.00 0.00 H new ATOM 884 N GLU A 59 -7.045 7.212 -1.411 1.00 0.00 N ATOM 885 CA GLU A 59 -7.704 7.388 -0.129 1.00 0.00 C ATOM 886 C GLU A 59 -6.836 6.852 0.997 1.00 0.00 C ATOM 887 O GLU A 59 -6.249 7.614 1.765 1.00 0.00 O ATOM 888 CB GLU A 59 -9.047 6.655 -0.135 1.00 0.00 C ATOM 889 CG GLU A 59 -10.052 7.225 -1.119 1.00 0.00 C ATOM 890 CD GLU A 59 -10.627 8.545 -0.659 1.00 0.00 C ATOM 891 OE1 GLU A 59 -9.992 9.594 -0.887 1.00 0.00 O ATOM 892 OE2 GLU A 59 -11.725 8.535 -0.067 1.00 0.00 O ATOM 0 H GLU A 59 -7.333 6.373 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.869 8.453 0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.876 5.605 -0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.474 6.690 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.571 7.360 -2.088 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.862 6.510 -1.262 1.00 0.00 H new ATOM 899 N VAL A 60 -6.739 5.534 1.068 1.00 0.00 N ATOM 900 CA VAL A 60 -6.011 4.880 2.139 1.00 0.00 C ATOM 901 C VAL A 60 -4.612 4.486 1.690 1.00 0.00 C ATOM 902 O VAL A 60 -4.391 4.158 0.520 1.00 0.00 O ATOM 903 CB VAL A 60 -6.761 3.629 2.648 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.068 4.027 3.312 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.021 2.654 1.505 1.00 0.00 C ATOM 0 H VAL A 60 -7.158 4.895 0.392 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.933 5.597 2.956 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.133 3.131 3.387 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.584 3.134 3.665 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.862 4.684 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.698 4.549 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.550 1.780 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.627 3.142 0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.072 2.342 1.070 1.00 0.00 H new ATOM 915 N VAL A 61 -3.676 4.542 2.619 1.00 0.00 N ATOM 916 CA VAL A 61 -2.307 4.149 2.351 1.00 0.00 C ATOM 917 C VAL A 61 -1.984 2.871 3.106 1.00 0.00 C ATOM 918 O VAL A 61 -2.091 2.822 4.328 1.00 0.00 O ATOM 919 CB VAL A 61 -1.305 5.240 2.774 1.00 0.00 C ATOM 920 CG1 VAL A 61 0.090 4.908 2.268 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.750 6.614 2.294 1.00 0.00 C ATOM 0 H VAL A 61 -3.842 4.859 3.574 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.215 3.994 1.276 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.275 5.268 3.863 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.784 5.690 2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.410 3.953 2.684 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.077 4.843 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.022 7.362 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.823 6.613 1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.723 6.852 2.723 1.00 0.00 H new ATOM 931 N ILE A 62 -1.603 1.834 2.395 1.00 0.00 N ATOM 932 CA ILE A 62 -1.257 0.582 3.042 1.00 0.00 C ATOM 933 C ILE A 62 0.253 0.444 3.147 1.00 0.00 C ATOM 934 O ILE A 62 0.961 0.450 2.142 1.00 0.00 O ATOM 935 CB ILE A 62 -1.838 -0.635 2.289 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.363 -0.519 2.187 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.448 -1.929 2.989 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.012 -1.649 1.413 1.00 0.00 C ATOM 0 H ILE A 62 -1.524 1.828 1.378 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.695 0.600 4.040 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.423 -0.650 1.281 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.784 -0.491 3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.615 0.428 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.865 -2.777 2.446 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.362 -2.015 3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.837 -1.923 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.091 -1.497 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.620 -1.665 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.792 -2.598 1.902 1.00 0.00 H new ATOM 950 N PHE A 63 0.742 0.345 4.368 1.00 0.00 N ATOM 951 CA PHE A 63 2.155 0.157 4.604 1.00 0.00 C ATOM 952 C PHE A 63 2.441 -1.269 5.021 1.00 0.00 C ATOM 953 O PHE A 63 2.138 -1.672 6.140 1.00 0.00 O ATOM 954 CB PHE A 63 2.665 1.119 5.677 1.00 0.00 C ATOM 955 CG PHE A 63 2.875 2.511 5.176 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.930 2.795 4.331 1.00 0.00 C ATOM 957 CD2 PHE A 63 2.027 3.536 5.554 1.00 0.00 C ATOM 958 CE1 PHE A 63 4.136 4.075 3.866 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.227 4.821 5.092 1.00 0.00 C ATOM 960 CZ PHE A 63 3.283 5.090 4.247 1.00 0.00 C ATOM 0 H PHE A 63 0.175 0.392 5.215 1.00 0.00 H new ATOM 0 HA PHE A 63 2.677 0.367 3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.953 1.141 6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.605 0.739 6.077 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.601 2.004 4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.200 3.329 6.217 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.964 4.284 3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.558 5.614 5.392 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.442 6.095 3.884 1.00 0.00 H new ATOM 970 N ALA A 64 2.983 -2.038 4.098 1.00 0.00 N ATOM 971 CA ALA A 64 3.515 -3.340 4.425 1.00 0.00 C ATOM 972 C ALA A 64 5.025 -3.256 4.336 1.00 0.00 C ATOM 973 O ALA A 64 5.617 -3.483 3.281 1.00 0.00 O ATOM 974 CB ALA A 64 2.967 -4.396 3.482 1.00 0.00 C ATOM 0 H ALA A 64 3.065 -1.781 3.114 1.00 0.00 H new ATOM 0 HA ALA A 64 3.218 -3.631 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.381 -5.369 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.881 -4.429 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.246 -4.149 2.458 1.00 0.00 H new ATOM 980 N VAL A 65 5.646 -2.906 5.446 1.00 0.00 N ATOM 981 CA VAL A 65 7.050 -2.545 5.430 1.00 0.00 C ATOM 982 C VAL A 65 7.827 -3.197 6.561 1.00 0.00 C ATOM 983 O VAL A 65 7.335 -3.345 7.680 1.00 0.00 O ATOM 984 CB VAL A 65 7.242 -1.011 5.497 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.767 -0.349 4.212 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.512 -0.424 6.696 1.00 0.00 C ATOM 0 H VAL A 65 5.204 -2.864 6.364 1.00 0.00 H new ATOM 0 HA VAL A 65 7.444 -2.916 4.484 1.00 0.00 H new ATOM 0 HB VAL A 65 8.308 -0.813 5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.912 0.729 4.283 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.339 -0.737 3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.709 -0.564 4.062 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.662 0.655 6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.447 -0.640 6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.903 -0.866 7.612 1.00 0.00 H new ATOM 996 N ASP A 66 9.035 -3.610 6.227 1.00 0.00 N ATOM 997 CA ASP A 66 9.991 -4.137 7.188 1.00 0.00 C ATOM 998 C ASP A 66 11.066 -3.084 7.452 1.00 0.00 C ATOM 999 O ASP A 66 12.000 -3.285 8.223 1.00 0.00 O ATOM 1000 CB ASP A 66 10.590 -5.432 6.626 1.00 0.00 C ATOM 1001 CG ASP A 66 11.725 -6.003 7.449 1.00 0.00 C ATOM 1002 OD1 ASP A 66 11.544 -6.209 8.666 1.00 0.00 O ATOM 1003 OD2 ASP A 66 12.794 -6.284 6.857 1.00 0.00 O ATOM 0 H ASP A 66 9.386 -3.590 5.270 1.00 0.00 H new ATOM 0 HA ASP A 66 9.506 -4.367 8.137 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.801 -6.180 6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.950 -5.243 5.615 1.00 0.00 H new ATOM 1008 N THR A 67 10.902 -1.938 6.807 1.00 0.00 N ATOM 1009 CA THR A 67 11.821 -0.823 6.950 1.00 0.00 C ATOM 1010 C THR A 67 11.075 0.477 6.665 1.00 0.00 C ATOM 1011 O THR A 67 9.914 0.441 6.250 1.00 0.00 O ATOM 1012 CB THR A 67 13.037 -0.975 6.001 1.00 0.00 C ATOM 1013 OG1 THR A 67 13.993 0.070 6.231 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.603 -0.958 4.540 1.00 0.00 C ATOM 0 H THR A 67 10.127 -1.757 6.170 1.00 0.00 H new ATOM 0 HA THR A 67 12.204 -0.807 7.970 1.00 0.00 H new ATOM 0 HB THR A 67 13.500 -1.938 6.215 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.754 -0.044 5.624 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.478 -1.066 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.914 -1.782 4.356 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.106 -0.013 4.319 1.00 0.00 H new ATOM 1022 N LYS A 68 11.714 1.617 6.904 1.00 0.00 N ATOM 1023 CA LYS A 68 11.068 2.904 6.674 1.00 0.00 C ATOM 1024 C LYS A 68 10.975 3.196 5.176 1.00 0.00 C ATOM 1025 O LYS A 68 11.502 2.448 4.351 1.00 0.00 O ATOM 1026 CB LYS A 68 11.821 4.033 7.379 1.00 0.00 C ATOM 1027 CG LYS A 68 13.178 4.326 6.772 1.00 0.00 C ATOM 1028 CD LYS A 68 13.780 5.595 7.340 1.00 0.00 C ATOM 1029 CE LYS A 68 15.056 5.963 6.611 1.00 0.00 C ATOM 1030 NZ LYS A 68 16.140 4.972 6.856 1.00 0.00 N ATOM 0 H LYS A 68 12.670 1.677 7.254 1.00 0.00 H new ATOM 0 HA LYS A 68 10.062 2.850 7.089 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.215 4.938 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.950 3.772 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.850 3.488 6.959 1.00 0.00 H new ATOM 0 HG3 LYS A 68 13.081 4.421 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.062 6.411 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.989 5.459 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.857 6.027 5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.387 6.950 6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.024 5.310 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.277 4.854 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.877 4.058 6.434 1.00 0.00 H new ATOM 1044 N VAL A 69 10.325 4.300 4.827 1.00 0.00 N ATOM 1045 CA VAL A 69 10.067 4.620 3.429 1.00 0.00 C ATOM 1046 C VAL A 69 10.426 6.069 3.113 1.00 0.00 C ATOM 1047 O VAL A 69 10.774 6.844 4.003 1.00 0.00 O ATOM 1048 CB VAL A 69 8.588 4.375 3.058 1.00 0.00 C ATOM 1049 CG1 VAL A 69 8.204 2.920 3.279 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.679 5.294 3.854 1.00 0.00 C ATOM 0 H VAL A 69 9.968 4.987 5.491 1.00 0.00 H new ATOM 0 HA VAL A 69 10.698 3.958 2.836 1.00 0.00 H new ATOM 0 HB VAL A 69 8.464 4.599 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.158 2.775 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.830 2.280 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.348 2.661 4.328 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.641 5.107 3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.812 5.104 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.930 6.332 3.636 1.00 0.00 H new ATOM 1060 N ARG A 70 10.329 6.422 1.839 1.00 0.00 N ATOM 1061 CA ARG A 70 10.652 7.767 1.376 1.00 0.00 C ATOM 1062 C ARG A 70 9.404 8.646 1.335 1.00 0.00 C ATOM 1063 O ARG A 70 9.396 9.763 1.844 1.00 0.00 O ATOM 1064 CB ARG A 70 11.292 7.698 -0.019 1.00 0.00 C ATOM 1065 CG ARG A 70 10.491 6.862 -1.013 1.00 0.00 C ATOM 1066 CD ARG A 70 11.098 6.873 -2.406 1.00 0.00 C ATOM 1067 NE ARG A 70 10.973 8.172 -3.067 1.00 0.00 N ATOM 1068 CZ ARG A 70 10.370 8.344 -4.243 1.00 0.00 C ATOM 1069 NH1 ARG A 70 9.687 7.349 -4.798 1.00 0.00 N ATOM 1070 NH2 ARG A 70 10.403 9.528 -4.845 1.00 0.00 N ATOM 0 H ARG A 70 10.026 5.789 1.099 1.00 0.00 H new ATOM 0 HA ARG A 70 11.358 8.211 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.401 8.709 -0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 70 12.295 7.281 0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.432 5.834 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.470 7.241 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 70 12.152 6.603 -2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.612 6.112 -3.016 1.00 0.00 H new ATOM 0 HE ARG A 70 11.368 8.990 -2.603 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.622 6.448 -4.324 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.227 7.486 -5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.891 10.309 -4.407 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.940 9.656 -5.745 1.00 0.00 H new ATOM 1084 N ASN A 71 8.338 8.100 0.765 1.00 0.00 N ATOM 1085 CA ASN A 71 7.133 8.862 0.445 1.00 0.00 C ATOM 1086 C ASN A 71 6.277 9.156 1.667 1.00 0.00 C ATOM 1087 O ASN A 71 5.257 9.838 1.554 1.00 0.00 O ATOM 1088 CB ASN A 71 6.310 8.141 -0.619 1.00 0.00 C ATOM 1089 CG ASN A 71 7.016 8.113 -1.955 1.00 0.00 C ATOM 1090 OD1 ASN A 71 7.740 9.045 -2.309 1.00 0.00 O ATOM 1091 ND2 ASN A 71 6.825 7.040 -2.695 1.00 0.00 N ATOM 0 H ASN A 71 8.282 7.114 0.510 1.00 0.00 H new ATOM 0 HA ASN A 71 7.466 9.823 0.054 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.110 7.120 -0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.345 8.636 -0.729 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.286 6.957 -3.601 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.217 6.292 -2.362 1.00 0.00 H new ATOM 1098 N LYS A 72 6.675 8.621 2.824 1.00 0.00 N ATOM 1099 CA LYS A 72 5.979 8.880 4.094 1.00 0.00 C ATOM 1100 C LYS A 72 5.699 10.372 4.279 1.00 0.00 C ATOM 1101 O LYS A 72 4.756 10.753 4.970 1.00 0.00 O ATOM 1102 CB LYS A 72 6.815 8.365 5.268 1.00 0.00 C ATOM 1103 CG LYS A 72 6.155 8.548 6.627 1.00 0.00 C ATOM 1104 CD LYS A 72 7.040 8.035 7.751 1.00 0.00 C ATOM 1105 CE LYS A 72 6.402 8.247 9.114 1.00 0.00 C ATOM 1106 NZ LYS A 72 6.276 9.693 9.461 1.00 0.00 N ATOM 0 H LYS A 72 7.481 8.001 2.911 1.00 0.00 H new ATOM 0 HA LYS A 72 5.026 8.352 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.022 7.306 5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.776 8.880 5.270 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.937 9.604 6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.202 8.020 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.236 6.973 7.603 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.003 8.545 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.415 7.785 9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.999 7.744 9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.385 9.814 10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.015 10.234 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.340 10.040 9.169 1.00 0.00 H new ATOM 1120 N GLU A 73 6.528 11.195 3.644 1.00 0.00 N ATOM 1121 CA GLU A 73 6.364 12.648 3.643 1.00 0.00 C ATOM 1122 C GLU A 73 4.916 13.041 3.357 1.00 0.00 C ATOM 1123 O GLU A 73 4.296 13.785 4.114 1.00 0.00 O ATOM 1124 CB GLU A 73 7.241 13.269 2.554 1.00 0.00 C ATOM 1125 CG GLU A 73 8.698 12.844 2.589 1.00 0.00 C ATOM 1126 CD GLU A 73 9.361 12.991 1.236 1.00 0.00 C ATOM 1127 OE1 GLU A 73 8.819 12.449 0.244 1.00 0.00 O ATOM 1128 OE2 GLU A 73 10.432 13.627 1.159 1.00 0.00 O ATOM 0 H GLU A 73 7.337 10.873 3.113 1.00 0.00 H new ATOM 0 HA GLU A 73 6.652 13.011 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.825 13.009 1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.192 14.354 2.643 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.234 13.445 3.323 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.766 11.806 2.916 1.00 0.00 H new ATOM 1135 N ARG A 74 4.387 12.519 2.256 1.00 0.00 N ATOM 1136 CA ARG A 74 3.074 12.917 1.765 1.00 0.00 C ATOM 1137 C ARG A 74 1.953 12.083 2.384 1.00 0.00 C ATOM 1138 O ARG A 74 0.813 12.537 2.465 1.00 0.00 O ATOM 1139 CB ARG A 74 3.053 12.801 0.241 1.00 0.00 C ATOM 1140 CG ARG A 74 3.290 11.389 -0.269 1.00 0.00 C ATOM 1141 CD ARG A 74 4.065 11.394 -1.575 1.00 0.00 C ATOM 1142 NE ARG A 74 5.450 11.844 -1.401 1.00 0.00 N ATOM 1143 CZ ARG A 74 6.334 11.942 -2.398 1.00 0.00 C ATOM 1144 NH1 ARG A 74 5.994 11.594 -3.635 1.00 0.00 N ATOM 1145 NH2 ARG A 74 7.571 12.369 -2.158 1.00 0.00 N ATOM 0 H ARG A 74 4.852 11.814 1.683 1.00 0.00 H new ATOM 0 HA ARG A 74 2.896 13.951 2.060 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.090 13.154 -0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.815 13.460 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.839 10.818 0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.333 10.888 -0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.063 10.390 -2.000 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.562 12.044 -2.291 1.00 0.00 H new ATOM 0 HE ARG A 74 5.757 12.098 -0.462 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.053 11.250 -3.828 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.674 11.671 -4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.848 12.623 -1.210 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.243 12.442 -2.922 1.00 0.00 H new ATOM 1159 N PHE A 75 2.269 10.863 2.805 1.00 0.00 N ATOM 1160 CA PHE A 75 1.285 10.003 3.446 1.00 0.00 C ATOM 1161 C PHE A 75 1.005 10.463 4.871 1.00 0.00 C ATOM 1162 O PHE A 75 -0.017 10.108 5.460 1.00 0.00 O ATOM 1163 CB PHE A 75 1.773 8.559 3.471 1.00 0.00 C ATOM 1164 CG PHE A 75 2.085 7.996 2.116 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.182 8.120 1.075 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.275 7.331 1.886 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.463 7.594 -0.169 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.561 6.805 0.644 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.653 6.935 -0.384 1.00 0.00 C ATOM 0 H PHE A 75 3.197 10.450 2.714 1.00 0.00 H new ATOM 0 HA PHE A 75 0.364 10.065 2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.667 8.499 4.092 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.013 7.938 3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.247 8.634 1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.989 7.222 2.689 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.750 7.699 -0.974 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.496 6.291 0.477 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.874 6.521 -1.357 1.00 0.00 H new ATOM 1179 N ASP A 76 1.926 11.244 5.422 1.00 0.00 N ATOM 1180 CA ASP A 76 1.793 11.734 6.788 1.00 0.00 C ATOM 1181 C ASP A 76 0.631 12.715 6.876 1.00 0.00 C ATOM 1182 O ASP A 76 0.648 13.776 6.245 1.00 0.00 O ATOM 1183 CB ASP A 76 3.085 12.414 7.245 1.00 0.00 C ATOM 1184 CG ASP A 76 3.295 12.319 8.743 1.00 0.00 C ATOM 1185 OD1 ASP A 76 2.489 12.890 9.508 1.00 0.00 O ATOM 1186 OD2 ASP A 76 4.275 11.664 9.165 1.00 0.00 O ATOM 0 H ASP A 76 2.773 11.552 4.944 1.00 0.00 H new ATOM 0 HA ASP A 76 1.598 10.885 7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.932 11.957 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.063 13.463 6.951 1.00 0.00 H new ATOM 1191 N GLY A 77 -0.384 12.348 7.643 1.00 0.00 N ATOM 1192 CA GLY A 77 -1.579 13.160 7.739 1.00 0.00 C ATOM 1193 C GLY A 77 -2.755 12.499 7.055 1.00 0.00 C ATOM 1194 O GLY A 77 -3.906 12.898 7.247 1.00 0.00 O ATOM 0 H GLY A 77 -0.401 11.496 8.204 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.818 13.335 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.395 14.135 7.287 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.465 11.480 6.260 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.496 10.725 5.569 1.00 0.00 C ATOM 1200 C LYS A 78 -3.828 9.455 6.340 1.00 0.00 C ATOM 1201 O LYS A 78 -3.224 9.171 7.376 1.00 0.00 O ATOM 1202 CB LYS A 78 -3.041 10.379 4.149 1.00 0.00 C ATOM 1203 CG LYS A 78 -3.003 11.576 3.211 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.433 11.214 1.845 1.00 0.00 C ATOM 1205 CE LYS A 78 -3.175 10.052 1.202 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.629 10.326 1.035 1.00 0.00 N ATOM 0 H LYS A 78 -1.515 11.156 6.077 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.394 11.340 5.507 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.048 9.932 4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.711 9.626 3.735 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.011 11.973 3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.400 12.367 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.485 12.083 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.379 10.956 1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.735 9.838 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.045 9.159 1.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.982 9.827 0.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.144 9.995 1.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.778 11.349 0.919 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.774 8.689 5.821 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.219 7.470 6.482 1.00 0.00 C ATOM 1222 C VAL A 79 -4.394 6.285 6.005 1.00 0.00 C ATOM 1223 O VAL A 79 -4.524 5.853 4.860 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.713 7.193 6.213 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -7.155 5.913 6.902 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -7.568 8.367 6.663 1.00 0.00 C ATOM 0 H VAL A 79 -5.250 8.889 4.942 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.082 7.609 7.554 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.847 7.066 5.139 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.211 5.737 6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.568 5.075 6.525 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.003 6.007 7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.618 8.150 6.464 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.428 8.531 7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.273 9.263 6.117 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.528 5.776 6.869 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.671 4.664 6.494 1.00 0.00 C ATOM 1238 C VAL A 80 -2.865 3.474 7.432 1.00 0.00 C ATOM 1239 O VAL A 80 -3.287 3.630 8.581 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.169 5.065 6.475 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -0.985 6.487 5.964 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.527 4.902 7.842 1.00 0.00 C ATOM 0 H VAL A 80 -3.401 6.111 7.824 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.964 4.377 5.484 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.665 4.386 5.787 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.076 6.739 5.962 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.378 6.563 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.521 7.179 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.522 5.192 7.788 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.042 5.536 8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.600 3.861 8.156 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.575 2.289 6.921 1.00 0.00 N ATOM 1253 CA LEU A 81 -2.566 1.075 7.722 1.00 0.00 C ATOM 1254 C LEU A 81 -1.163 0.497 7.741 1.00 0.00 C ATOM 1255 O LEU A 81 -0.606 0.189 6.690 1.00 0.00 O ATOM 1256 CB LEU A 81 -3.529 0.038 7.155 1.00 0.00 C ATOM 1257 CG LEU A 81 -3.554 -1.286 7.921 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -4.346 -1.152 9.215 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.112 -2.389 7.046 1.00 0.00 C ATOM 0 H LEU A 81 -2.339 2.141 5.940 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.885 1.327 8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.534 0.459 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.260 -0.161 6.118 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.531 -1.550 8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.349 -2.107 9.741 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.886 -0.392 9.846 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.371 -0.861 8.986 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.124 -3.325 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.128 -2.134 6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.487 -2.502 6.160 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.594 0.351 8.925 1.00 0.00 N ATOM 1272 CA GLU A 82 0.775 -0.123 9.051 1.00 0.00 C ATOM 1273 C GLU A 82 0.804 -1.571 9.531 1.00 0.00 C ATOM 1274 O GLU A 82 0.625 -1.852 10.719 1.00 0.00 O ATOM 1275 CB GLU A 82 1.551 0.784 10.010 1.00 0.00 C ATOM 1276 CG GLU A 82 3.037 0.481 10.091 1.00 0.00 C ATOM 1277 CD GLU A 82 3.769 1.482 10.957 1.00 0.00 C ATOM 1278 OE1 GLU A 82 3.787 1.308 12.193 1.00 0.00 O ATOM 1279 OE2 GLU A 82 4.300 2.471 10.415 1.00 0.00 O ATOM 0 H GLU A 82 -1.057 0.553 9.811 1.00 0.00 H new ATOM 0 HA GLU A 82 1.252 -0.088 8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.420 1.820 9.698 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.119 0.694 11.007 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.182 -0.522 10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.464 0.487 9.088 1.00 0.00 H new ATOM 1286 N VAL A 83 0.997 -2.486 8.592 1.00 0.00 N ATOM 1287 CA VAL A 83 1.066 -3.910 8.895 1.00 0.00 C ATOM 1288 C VAL A 83 2.382 -4.509 8.391 1.00 0.00 C ATOM 1289 O VAL A 83 3.089 -3.889 7.596 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.117 -4.677 8.262 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.430 -4.276 8.917 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.169 -4.441 6.756 1.00 0.00 C ATOM 0 H VAL A 83 1.110 -2.265 7.603 1.00 0.00 H new ATOM 0 HA VAL A 83 1.013 -4.013 9.979 1.00 0.00 H new ATOM 0 HB VAL A 83 0.037 -5.742 8.433 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.250 -4.828 8.457 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.391 -4.506 9.982 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.592 -3.206 8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.009 -4.990 6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.294 -3.376 6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.759 -4.788 6.301 1.00 0.00 H new ATOM 1302 N PRO A 84 2.741 -5.712 8.864 1.00 0.00 N ATOM 1303 CA PRO A 84 3.944 -6.410 8.405 1.00 0.00 C ATOM 1304 C PRO A 84 3.868 -6.768 6.922 1.00 0.00 C ATOM 1305 O PRO A 84 2.783 -6.959 6.373 1.00 0.00 O ATOM 1306 CB PRO A 84 3.982 -7.682 9.259 1.00 0.00 C ATOM 1307 CG PRO A 84 3.080 -7.407 10.411 1.00 0.00 C ATOM 1308 CD PRO A 84 2.023 -6.481 9.891 1.00 0.00 C ATOM 0 HA PRO A 84 4.835 -5.791 8.511 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.642 -8.548 8.691 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.995 -7.900 9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.640 -8.329 10.791 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.627 -6.951 11.236 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.178 -7.027 9.471 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.628 -5.837 10.676 1.00 0.00 H new ATOM 1316 N VAL A 85 5.025 -6.880 6.285 1.00 0.00 N ATOM 1317 CA VAL A 85 5.097 -7.167 4.854 1.00 0.00 C ATOM 1318 C VAL A 85 4.500 -8.540 4.523 1.00 0.00 C ATOM 1319 O VAL A 85 4.052 -8.786 3.403 1.00 0.00 O ATOM 1320 CB VAL A 85 6.561 -7.082 4.350 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.434 -8.140 5.009 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.627 -7.190 2.834 1.00 0.00 C ATOM 0 H VAL A 85 5.933 -6.776 6.737 1.00 0.00 H new ATOM 0 HA VAL A 85 4.504 -6.411 4.340 1.00 0.00 H new ATOM 0 HB VAL A 85 6.950 -6.104 4.634 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.454 -8.054 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.430 -7.994 6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.044 -9.131 4.776 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.666 -7.127 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.205 -8.144 2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.057 -6.376 2.386 1.00 0.00 H new ATOM 1332 N SER A 86 4.475 -9.421 5.513 1.00 0.00 N ATOM 1333 CA SER A 86 3.940 -10.765 5.341 1.00 0.00 C ATOM 1334 C SER A 86 2.407 -10.760 5.263 1.00 0.00 C ATOM 1335 O SER A 86 1.798 -11.711 4.768 1.00 0.00 O ATOM 1336 CB SER A 86 4.411 -11.645 6.498 1.00 0.00 C ATOM 1337 OG SER A 86 5.806 -11.480 6.720 1.00 0.00 O ATOM 0 H SER A 86 4.822 -9.227 6.452 1.00 0.00 H new ATOM 0 HA SER A 86 4.310 -11.166 4.397 1.00 0.00 H new ATOM 0 HB2 SER A 86 3.861 -11.389 7.403 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.194 -12.690 6.278 1.00 0.00 H new ATOM 0 HG SER A 86 6.088 -12.050 7.465 1.00 0.00 H new ATOM 1343 N ALA A 87 1.790 -9.684 5.748 1.00 0.00 N ATOM 1344 CA ALA A 87 0.331 -9.603 5.832 1.00 0.00 C ATOM 1345 C ALA A 87 -0.341 -9.632 4.453 1.00 0.00 C ATOM 1346 O ALA A 87 -1.154 -10.518 4.192 1.00 0.00 O ATOM 1347 CB ALA A 87 -0.095 -8.367 6.614 1.00 0.00 C ATOM 0 H ALA A 87 2.277 -8.855 6.089 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.006 -10.492 6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.183 -8.326 6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.314 -8.416 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.279 -7.473 6.114 1.00 0.00 H new ATOM 1353 N PRO A 88 -0.013 -8.689 3.536 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.687 -8.595 2.232 1.00 0.00 C ATOM 1355 C PRO A 88 -0.433 -9.808 1.343 1.00 0.00 C ATOM 1356 O PRO A 88 -1.165 -10.050 0.387 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.086 -7.338 1.600 1.00 0.00 C ATOM 1358 CG PRO A 88 1.224 -7.163 2.274 1.00 0.00 C ATOM 1359 CD PRO A 88 1.029 -7.653 3.678 1.00 0.00 C ATOM 0 HA PRO A 88 -1.770 -8.555 2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.036 -7.456 0.523 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.729 -6.472 1.755 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.004 -7.731 1.766 1.00 0.00 H new ATOM 0 HG3 PRO A 88 1.533 -6.118 2.264 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.950 -8.063 4.092 1.00 0.00 H new ATOM 0 HD3 PRO A 88 0.710 -6.851 4.343 1.00 0.00 H new ATOM 1367 N ILE A 89 0.605 -10.568 1.661 1.00 0.00 N ATOM 1368 CA ILE A 89 0.927 -11.773 0.911 1.00 0.00 C ATOM 1369 C ILE A 89 -0.170 -12.820 1.092 1.00 0.00 C ATOM 1370 O ILE A 89 -0.592 -13.480 0.137 1.00 0.00 O ATOM 1371 CB ILE A 89 2.282 -12.361 1.365 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.407 -11.355 1.100 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.564 -13.685 0.666 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.776 -11.832 1.535 1.00 0.00 C ATOM 0 H ILE A 89 1.240 -10.371 2.435 1.00 0.00 H new ATOM 0 HA ILE A 89 0.998 -11.503 -0.143 1.00 0.00 H new ATOM 0 HB ILE A 89 2.233 -12.555 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.434 -11.129 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.177 -10.424 1.618 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.523 -14.077 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.776 -14.398 0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.595 -13.528 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.517 -11.064 1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.769 -12.030 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.030 -12.746 0.999 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.635 -12.953 2.323 1.00 0.00 N ATOM 1387 CA LYS A 90 -1.663 -13.928 2.652 1.00 0.00 C ATOM 1388 C LYS A 90 -3.046 -13.287 2.650 1.00 0.00 C ATOM 1389 O LYS A 90 -3.994 -13.829 2.083 1.00 0.00 O ATOM 1390 CB LYS A 90 -1.383 -14.543 4.025 1.00 0.00 C ATOM 1391 CG LYS A 90 -0.078 -15.315 4.091 1.00 0.00 C ATOM 1392 CD LYS A 90 -0.076 -16.476 3.111 1.00 0.00 C ATOM 1393 CE LYS A 90 1.167 -17.331 3.257 1.00 0.00 C ATOM 1394 NZ LYS A 90 1.131 -18.519 2.364 1.00 0.00 N ATOM 0 H LYS A 90 -0.315 -12.395 3.115 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.643 -14.709 1.892 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.364 -13.750 4.772 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.204 -15.210 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.754 -14.647 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.075 -15.690 5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.961 -17.091 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.136 -16.093 2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.049 -16.732 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.263 -17.658 4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.999 -19.077 2.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 0.304 -19.104 2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.065 -18.207 1.374 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.143 -12.120 3.262 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.430 -11.491 3.523 1.00 0.00 C ATOM 1410 C ASP A 91 -4.614 -10.214 2.712 1.00 0.00 C ATOM 1411 O ASP A 91 -5.112 -9.223 3.235 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.565 -11.174 5.016 1.00 0.00 C ATOM 1413 CG ASP A 91 -4.614 -12.419 5.880 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -5.695 -13.039 5.977 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -3.578 -12.774 6.477 1.00 0.00 O ATOM 0 H ASP A 91 -2.340 -11.584 3.591 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.205 -12.195 3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.725 -10.554 5.328 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.471 -10.589 5.178 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.225 -10.237 1.442 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.331 -9.053 0.578 1.00 0.00 C ATOM 1422 C ALA A 92 -5.746 -8.472 0.568 1.00 0.00 C ATOM 1423 O ALA A 92 -5.925 -7.266 0.659 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.902 -9.386 -0.845 1.00 0.00 C ATOM 0 H ALA A 92 -3.833 -11.059 0.982 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.662 -8.298 0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.988 -8.496 -1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.867 -9.729 -0.842 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.543 -10.172 -1.244 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.754 -9.324 0.465 1.00 0.00 N ATOM 1431 CA GLU A 93 -8.132 -8.845 0.469 1.00 0.00 C ATOM 1432 C GLU A 93 -8.514 -8.314 1.850 1.00 0.00 C ATOM 1433 O GLU A 93 -9.307 -7.384 1.973 1.00 0.00 O ATOM 1434 CB GLU A 93 -9.098 -9.952 0.040 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.906 -10.401 -1.400 1.00 0.00 C ATOM 1436 CD GLU A 93 -9.940 -11.420 -1.835 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -9.816 -12.597 -1.445 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -10.885 -11.047 -2.568 1.00 0.00 O ATOM 0 H GLU A 93 -6.650 -10.335 0.379 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.205 -8.029 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.970 -10.810 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.122 -9.600 0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.958 -9.533 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.910 -10.828 -1.514 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.920 -8.891 2.886 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.206 -8.475 4.252 1.00 0.00 C ATOM 1447 C LYS A 94 -7.551 -7.134 4.539 1.00 0.00 C ATOM 1448 O LYS A 94 -8.154 -6.252 5.136 1.00 0.00 O ATOM 1449 CB LYS A 94 -7.717 -9.506 5.276 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.526 -10.795 5.325 1.00 0.00 C ATOM 1451 CD LYS A 94 -8.218 -11.714 4.155 1.00 0.00 C ATOM 1452 CE LYS A 94 -8.793 -13.102 4.382 1.00 0.00 C ATOM 1453 NZ LYS A 94 -8.286 -13.709 5.642 1.00 0.00 N ATOM 0 H LYS A 94 -7.239 -9.646 2.807 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.289 -8.388 4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.679 -9.754 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.730 -9.048 6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.317 -11.317 6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.589 -10.554 5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.631 -11.292 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.139 -11.782 4.017 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.881 -13.044 4.418 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.536 -13.744 3.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.092 -14.719 5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.410 -13.229 5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.001 -13.604 6.390 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.310 -6.997 4.093 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.525 -5.795 4.325 1.00 0.00 C ATOM 1469 C VAL A 95 -6.178 -4.595 3.646 1.00 0.00 C ATOM 1470 O VAL A 95 -6.189 -3.486 4.184 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.076 -5.992 3.814 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.965 -5.858 2.309 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.113 -5.053 4.513 1.00 0.00 C ATOM 0 H VAL A 95 -5.820 -7.716 3.561 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.488 -5.603 5.397 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.798 -7.016 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.928 -6.005 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.593 -6.609 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.293 -4.863 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.105 -5.216 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.410 -4.021 4.325 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.131 -5.246 5.586 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.735 -4.844 2.472 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.473 -3.825 1.736 1.00 0.00 C ATOM 1485 C ILE A 96 -8.731 -3.420 2.501 1.00 0.00 C ATOM 1486 O ILE A 96 -8.961 -2.234 2.748 1.00 0.00 O ATOM 1487 CB ILE A 96 -7.853 -4.304 0.315 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.589 -4.518 -0.525 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -8.777 -3.295 -0.357 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -6.862 -5.050 -1.916 1.00 0.00 C ATOM 0 H ILE A 96 -6.690 -5.749 2.004 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.818 -2.960 1.634 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.383 -5.253 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.054 -3.572 -0.607 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.931 -5.213 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.035 -3.647 -1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.686 -3.184 0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.272 -2.332 -0.431 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.920 -5.175 -2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.369 -6.012 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.494 -4.346 -2.457 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.526 -4.409 2.896 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.733 -4.155 3.681 1.00 0.00 C ATOM 1504 C ASN A 97 -10.395 -3.459 4.991 1.00 0.00 C ATOM 1505 O ASN A 97 -11.094 -2.542 5.419 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.472 -5.457 3.990 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.210 -6.028 2.794 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -12.648 -5.297 1.908 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -12.367 -7.344 2.773 1.00 0.00 N ATOM 0 H ASN A 97 -9.358 -5.393 2.687 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.375 -3.509 3.082 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.757 -6.195 4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -12.184 -5.280 4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.867 -7.786 2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.988 -7.915 3.528 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.315 -3.904 5.618 1.00 0.00 N ATOM 1517 CA ALA A 98 -8.872 -3.349 6.886 1.00 0.00 C ATOM 1518 C ALA A 98 -8.531 -1.870 6.747 1.00 0.00 C ATOM 1519 O ALA A 98 -8.824 -1.072 7.639 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.672 -4.121 7.412 1.00 0.00 C ATOM 0 H ALA A 98 -8.725 -4.656 5.263 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.690 -3.442 7.600 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.352 -3.693 8.362 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.947 -5.165 7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.855 -4.058 6.693 1.00 0.00 H new ATOM 1526 N ALA A 99 -7.910 -1.514 5.627 1.00 0.00 N ATOM 1527 CA ALA A 99 -7.592 -0.125 5.340 1.00 0.00 C ATOM 1528 C ALA A 99 -8.872 0.680 5.119 1.00 0.00 C ATOM 1529 O ALA A 99 -8.983 1.824 5.556 1.00 0.00 O ATOM 1530 CB ALA A 99 -6.685 -0.023 4.123 1.00 0.00 C ATOM 0 H ALA A 99 -7.618 -2.171 4.904 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.064 0.290 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.459 1.025 3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.758 -0.565 4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.187 -0.456 3.258 1.00 0.00 H new ATOM 1536 N LEU A 100 -9.845 0.061 4.458 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.129 0.705 4.205 1.00 0.00 C ATOM 1538 C LEU A 100 -11.892 0.914 5.509 1.00 0.00 C ATOM 1539 O LEU A 100 -12.637 1.877 5.650 1.00 0.00 O ATOM 1540 CB LEU A 100 -11.972 -0.128 3.234 1.00 0.00 C ATOM 1541 CG LEU A 100 -11.308 -0.425 1.886 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.170 -1.368 1.059 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -11.052 0.867 1.125 1.00 0.00 C ATOM 0 H LEU A 100 -9.769 -0.886 4.088 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.934 1.677 3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.222 -1.074 3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.911 0.395 3.052 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.351 -0.912 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.681 -1.566 0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.305 -2.305 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.142 -0.909 0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.580 0.639 0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.998 1.379 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.395 1.510 1.710 1.00 0.00 H new ATOM 1555 N ALA A 101 -11.697 0.013 6.460 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.335 0.126 7.766 1.00 0.00 C ATOM 1557 C ALA A 101 -11.805 1.330 8.536 1.00 0.00 C ATOM 1558 O ALA A 101 -12.484 1.864 9.413 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.127 -1.146 8.564 1.00 0.00 C ATOM 0 H ALA A 101 -11.100 -0.807 6.353 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.404 0.273 7.609 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.608 -1.048 9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.563 -1.988 8.027 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -11.060 -1.318 8.703 1.00 0.00 H new ATOM 1565 N LEU A 102 -10.600 1.766 8.188 1.00 0.00 N ATOM 1566 CA LEU A 102 -9.993 2.927 8.827 1.00 0.00 C ATOM 1567 C LEU A 102 -10.732 4.201 8.436 1.00 0.00 C ATOM 1568 O LEU A 102 -10.761 5.167 9.195 1.00 0.00 O ATOM 1569 CB LEU A 102 -8.517 3.034 8.448 1.00 0.00 C ATOM 1570 CG LEU A 102 -7.658 1.828 8.829 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -6.226 2.037 8.377 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -7.711 1.581 10.328 1.00 0.00 C ATOM 0 H LEU A 102 -10.024 1.333 7.466 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.067 2.801 9.907 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.445 3.185 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.100 3.922 8.923 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.058 0.949 8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.626 1.170 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.201 2.163 7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.820 2.928 8.856 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.093 0.718 10.577 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.338 2.459 10.855 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.741 1.388 10.629 1.00 0.00 H new ATOM 1584 N ILE A 103 -11.318 4.200 7.244 1.00 0.00 N ATOM 1585 CA ILE A 103 -12.180 5.298 6.819 1.00 0.00 C ATOM 1586 C ILE A 103 -13.639 4.891 6.975 1.00 0.00 C ATOM 1587 O ILE A 103 -14.551 5.611 6.568 1.00 0.00 O ATOM 1588 CB ILE A 103 -11.913 5.729 5.355 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -12.091 4.547 4.396 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -10.519 6.326 5.224 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.923 4.912 2.936 1.00 0.00 C ATOM 0 H ILE A 103 -11.213 3.454 6.556 1.00 0.00 H new ATOM 0 HA ILE A 103 -11.955 6.154 7.455 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.642 6.493 5.084 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.369 3.772 4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.083 4.119 4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.346 6.624 4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.434 7.198 5.872 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.776 5.584 5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.064 4.024 2.320 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.662 5.664 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -10.922 5.311 2.774 1.00 0.00 H new ATOM 1603 N ASP A 104 -13.833 3.714 7.573 1.00 0.00 N ATOM 1604 CA ASP A 104 -15.160 3.164 7.852 1.00 0.00 C ATOM 1605 C ASP A 104 -15.958 2.982 6.563 1.00 0.00 C ATOM 1606 O ASP A 104 -17.163 3.234 6.520 1.00 0.00 O ATOM 1607 CB ASP A 104 -15.904 4.069 8.836 1.00 0.00 C ATOM 1608 CG ASP A 104 -17.078 3.372 9.490 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -16.868 2.294 10.085 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -18.210 3.898 9.424 1.00 0.00 O ATOM 0 H ASP A 104 -13.069 3.112 7.879 1.00 0.00 H new ATOM 0 HA ASP A 104 -15.042 2.180 8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.212 4.409 9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -16.258 4.957 8.312 1.00 0.00 H new