USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 629 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 Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -109:sc=-0.00432 (180deg=-0.179) USER MOD Single : A 9 THR OG1 : rot 143:sc= 1.21 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0771 USER MOD Single : A 20 THR OG1 : rot 75:sc= 0.466 USER MOD Single : A 24 GLN : amide:sc= -0.169 K(o=-0.17,f=-1.7!) USER MOD Single : A 25 THR OG1 : rot 76:sc= 0.293 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -116:sc= 0.00176 (180deg=0) USER MOD Single : A 29 TYR OH : rot 150:sc= -3.13! USER MOD Single : A 34 ASN : amide:sc= -0.157 K(o=-0.16,f=-2.8!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.2!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0532 USER MOD Single : A 43 ASN : amide:sc= 0.0437 K(o=0.044,f=-4.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -37:sc= 0.7 USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= -0.181 (180deg=-1.03) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 64 SER OG : rot 49:sc= 0.0742 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= -4.31 K(o=-4.3,f=-14!) USER MOD Single : A 80 THR OG1 : rot -170:sc= -0.132 USER MOD Single : A 81 MET CE :methyl -157:sc= -0.174 (180deg=-0.977) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= 0.0181 (180deg=-0.141) USER MOD Single : A 83 SER OG : rot 170:sc= -0.336 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.403 -9.306 -10.262 1.00 0.00 N ATOM 2 CA ALA A 2 -6.567 -9.106 -8.794 1.00 0.00 C ATOM 3 C ALA A 2 -5.816 -7.844 -8.355 1.00 0.00 C ATOM 4 O ALA A 2 -6.163 -7.222 -7.370 1.00 0.00 O ATOM 5 CB ALA A 2 -6.010 -10.321 -8.049 1.00 0.00 C ATOM 0 HA ALA A 2 -7.626 -8.991 -8.562 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.129 -10.176 -6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.551 -11.216 -8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.952 -10.438 -8.284 1.00 0.00 H new ATOM 13 N GLN A 3 -4.793 -7.461 -9.080 1.00 0.00 N ATOM 14 CA GLN A 3 -4.020 -6.237 -8.706 1.00 0.00 C ATOM 15 C GLN A 3 -4.940 -5.015 -8.737 1.00 0.00 C ATOM 16 O GLN A 3 -5.924 -4.988 -9.451 1.00 0.00 O ATOM 17 CB GLN A 3 -2.871 -6.029 -9.697 1.00 0.00 C ATOM 18 CG GLN A 3 -3.409 -6.074 -11.130 1.00 0.00 C ATOM 19 CD GLN A 3 -2.376 -5.468 -12.083 1.00 0.00 C ATOM 20 OE1 GLN A 3 -1.199 -5.752 -11.981 1.00 0.00 O ATOM 21 NE2 GLN A 3 -2.770 -4.639 -13.012 1.00 0.00 N ATOM 0 H GLN A 3 -4.460 -7.944 -9.915 1.00 0.00 H new ATOM 0 HA GLN A 3 -3.617 -6.364 -7.701 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.386 -5.071 -9.510 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.114 -6.801 -9.558 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.624 -7.103 -11.417 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.347 -5.522 -11.195 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.758 -4.401 -13.097 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.090 -4.230 -13.652 1.00 0.00 H new ATOM 30 N LYS A 4 -4.622 -4.004 -7.968 1.00 0.00 N ATOM 31 CA LYS A 4 -5.471 -2.776 -7.948 1.00 0.00 C ATOM 32 C LYS A 4 -4.574 -1.538 -7.929 1.00 0.00 C ATOM 33 O LYS A 4 -3.391 -1.627 -7.664 1.00 0.00 O ATOM 34 CB LYS A 4 -6.356 -2.786 -6.699 1.00 0.00 C ATOM 35 CG LYS A 4 -7.434 -1.707 -6.828 1.00 0.00 C ATOM 36 CD LYS A 4 -8.547 -1.973 -5.813 1.00 0.00 C ATOM 37 CE LYS A 4 -9.622 -0.890 -5.937 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.792 -1.253 -5.090 1.00 0.00 N ATOM 0 H LYS A 4 -3.809 -3.977 -7.352 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.101 -2.755 -8.837 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.819 -3.765 -6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.751 -2.606 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.000 -0.722 -6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.842 -1.705 -7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.985 -2.956 -5.987 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.138 -1.980 -4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.220 0.074 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.931 -0.786 -6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.523 -0.518 -5.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.180 -2.164 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.491 -1.331 -4.097 1.00 0.00 H new ATOM 52 N THR A 5 -5.129 -0.386 -8.211 1.00 0.00 N ATOM 53 CA THR A 5 -4.312 0.862 -8.213 1.00 0.00 C ATOM 54 C THR A 5 -4.810 1.801 -7.113 1.00 0.00 C ATOM 55 O THR A 5 -6.000 1.956 -6.910 1.00 0.00 O ATOM 56 CB THR A 5 -4.444 1.555 -9.571 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.165 0.622 -10.605 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.456 2.719 -9.650 1.00 0.00 C ATOM 0 H THR A 5 -6.115 -0.258 -8.440 1.00 0.00 H new ATOM 0 HA THR A 5 -3.267 0.611 -8.031 1.00 0.00 H new ATOM 0 HB THR A 5 -5.459 1.935 -9.689 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.251 1.063 -11.476 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.551 3.212 -10.618 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.672 3.434 -8.856 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.440 2.342 -9.533 1.00 0.00 H new ATOM 66 N PHE A 6 -3.906 2.428 -6.402 1.00 0.00 N ATOM 67 CA PHE A 6 -4.317 3.359 -5.313 1.00 0.00 C ATOM 68 C PHE A 6 -3.675 4.729 -5.547 1.00 0.00 C ATOM 69 O PHE A 6 -2.562 4.828 -6.025 1.00 0.00 O ATOM 70 CB PHE A 6 -3.857 2.802 -3.964 1.00 0.00 C ATOM 71 CG PHE A 6 -4.713 1.615 -3.592 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.386 0.338 -4.063 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.837 1.793 -2.776 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.182 -0.762 -3.717 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.632 0.694 -2.431 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.305 -0.583 -2.900 1.00 0.00 C ATOM 0 H PHE A 6 -2.899 2.333 -6.531 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.402 3.461 -5.311 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.809 2.506 -4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.931 3.572 -3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.520 0.201 -4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.090 2.778 -2.413 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.930 -1.747 -4.080 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.499 0.832 -1.802 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.919 -1.430 -2.632 1.00 0.00 H new ATOM 86 N LYS A 7 -4.374 5.783 -5.212 1.00 0.00 N ATOM 87 CA LYS A 7 -3.816 7.154 -5.409 1.00 0.00 C ATOM 88 C LYS A 7 -3.423 7.742 -4.055 1.00 0.00 C ATOM 89 O LYS A 7 -4.197 7.732 -3.115 1.00 0.00 O ATOM 90 CB LYS A 7 -4.872 8.045 -6.064 1.00 0.00 C ATOM 91 CG LYS A 7 -4.184 9.093 -6.942 1.00 0.00 C ATOM 92 CD LYS A 7 -3.580 8.416 -8.176 1.00 0.00 C ATOM 93 CE LYS A 7 -4.536 8.558 -9.364 1.00 0.00 C ATOM 94 NZ LYS A 7 -5.341 7.313 -9.506 1.00 0.00 N ATOM 0 H LYS A 7 -5.311 5.753 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.937 7.100 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.551 7.440 -6.666 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.475 8.535 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.902 9.854 -7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.404 9.601 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.617 8.868 -8.416 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.395 7.362 -7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.194 9.414 -9.214 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.972 8.745 -10.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.033 6.795 -10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.206 6.715 -8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.347 7.559 -9.598 1.00 0.00 H new ATOM 108 N VAL A 8 -2.225 8.253 -3.950 1.00 0.00 N ATOM 109 CA VAL A 8 -1.766 8.846 -2.658 1.00 0.00 C ATOM 110 C VAL A 8 -2.111 10.336 -2.631 1.00 0.00 C ATOM 111 O VAL A 8 -1.566 11.120 -3.385 1.00 0.00 O ATOM 112 CB VAL A 8 -0.251 8.674 -2.518 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.175 9.057 -1.101 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.128 7.213 -2.781 1.00 0.00 C ATOM 0 H VAL A 8 -1.541 8.286 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.265 8.338 -1.832 1.00 0.00 H new ATOM 0 HB VAL A 8 0.253 9.316 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.253 8.935 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.092 10.096 -0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.332 8.413 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.207 7.093 -2.681 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.377 6.571 -2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.176 6.934 -3.790 1.00 0.00 H new ATOM 124 N THR A 9 -3.012 10.727 -1.767 1.00 0.00 N ATOM 125 CA THR A 9 -3.402 12.165 -1.679 1.00 0.00 C ATOM 126 C THR A 9 -3.035 12.733 -0.300 1.00 0.00 C ATOM 127 O THR A 9 -3.031 13.934 -0.106 1.00 0.00 O ATOM 128 CB THR A 9 -4.912 12.297 -1.894 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.297 11.521 -3.019 1.00 0.00 O ATOM 130 CG2 THR A 9 -5.267 13.764 -2.136 1.00 0.00 C ATOM 0 H THR A 9 -3.496 10.109 -1.116 1.00 0.00 H new ATOM 0 HA THR A 9 -2.867 12.723 -2.447 1.00 0.00 H new ATOM 0 HB THR A 9 -5.439 11.940 -1.009 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.172 11.113 -2.851 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.342 13.858 -2.289 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.970 14.358 -1.271 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.742 14.124 -3.021 1.00 0.00 H new ATOM 138 N ALA A 10 -2.732 11.887 0.660 1.00 0.00 N ATOM 139 CA ALA A 10 -2.373 12.388 2.022 1.00 0.00 C ATOM 140 C ALA A 10 -1.139 13.292 1.936 1.00 0.00 C ATOM 141 O ALA A 10 -0.211 13.020 1.198 1.00 0.00 O ATOM 142 CB ALA A 10 -2.070 11.200 2.937 1.00 0.00 C ATOM 0 H ALA A 10 -2.719 10.872 0.556 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.209 12.959 2.426 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.808 11.564 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.949 10.560 3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -1.236 10.629 2.528 1.00 0.00 H new ATOM 148 N ASP A 11 -1.128 14.364 2.687 1.00 0.00 N ATOM 149 CA ASP A 11 0.038 15.294 2.659 1.00 0.00 C ATOM 150 C ASP A 11 1.255 14.607 3.281 1.00 0.00 C ATOM 151 O ASP A 11 2.379 14.821 2.864 1.00 0.00 O ATOM 152 CB ASP A 11 -0.299 16.555 3.459 1.00 0.00 C ATOM 153 CG ASP A 11 -0.759 16.164 4.865 1.00 0.00 C ATOM 154 OD1 ASP A 11 0.092 15.827 5.672 1.00 0.00 O ATOM 155 OD2 ASP A 11 -1.953 16.206 5.109 1.00 0.00 O ATOM 0 H ASP A 11 -1.880 14.635 3.320 1.00 0.00 H new ATOM 0 HA ASP A 11 0.262 15.565 1.627 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.575 17.204 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.082 17.120 2.953 1.00 0.00 H new ATOM 160 N SER A 12 1.039 13.786 4.276 1.00 0.00 N ATOM 161 CA SER A 12 2.177 13.080 4.937 1.00 0.00 C ATOM 162 C SER A 12 2.838 12.121 3.944 1.00 0.00 C ATOM 163 O SER A 12 4.017 11.838 4.037 1.00 0.00 O ATOM 164 CB SER A 12 1.656 12.287 6.136 1.00 0.00 C ATOM 165 OG SER A 12 0.371 11.761 5.830 1.00 0.00 O ATOM 0 H SER A 12 0.119 13.573 4.661 1.00 0.00 H new ATOM 0 HA SER A 12 2.909 13.814 5.272 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.345 11.477 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.599 12.930 7.014 1.00 0.00 H new ATOM 0 HG SER A 12 0.035 11.251 6.596 1.00 0.00 H new ATOM 171 N GLY A 13 2.085 11.618 2.997 1.00 0.00 N ATOM 172 CA GLY A 13 2.664 10.672 1.998 1.00 0.00 C ATOM 173 C GLY A 13 2.703 9.266 2.597 1.00 0.00 C ATOM 174 O GLY A 13 1.961 8.953 3.508 1.00 0.00 O ATOM 0 H GLY A 13 1.093 11.823 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.065 10.675 1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.669 10.989 1.720 1.00 0.00 H new ATOM 178 N ILE A 14 3.563 8.418 2.092 1.00 0.00 N ATOM 179 CA ILE A 14 3.652 7.026 2.631 1.00 0.00 C ATOM 180 C ILE A 14 4.981 6.858 3.371 1.00 0.00 C ATOM 181 O ILE A 14 5.979 6.470 2.793 1.00 0.00 O ATOM 182 CB ILE A 14 3.567 6.000 1.487 1.00 0.00 C ATOM 183 CG1 ILE A 14 2.519 6.431 0.442 1.00 0.00 C ATOM 184 CG2 ILE A 14 3.173 4.637 2.058 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.155 6.633 1.107 1.00 0.00 C ATOM 0 H ILE A 14 4.207 8.629 1.330 1.00 0.00 H new ATOM 0 HA ILE A 14 2.821 6.856 3.315 1.00 0.00 H new ATOM 0 HB ILE A 14 4.541 5.939 1.002 1.00 0.00 H new ATOM 0 HG12 ILE A 14 2.836 7.356 -0.041 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.442 5.674 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.112 3.908 1.250 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.922 4.315 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.204 4.715 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.426 6.937 0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.833 5.699 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.234 7.407 1.871 1.00 0.00 H new ATOM 218 N ALA A 16 7.021 5.658 7.314 1.00 0.00 N ATOM 219 CA ALA A 16 7.046 4.436 8.183 1.00 0.00 C ATOM 220 C ALA A 16 5.701 4.173 8.887 1.00 0.00 C ATOM 221 O ALA A 16 5.246 3.048 8.925 1.00 0.00 O ATOM 222 CB ALA A 16 8.141 4.594 9.239 1.00 0.00 C ATOM 0 HA ALA A 16 7.244 3.583 7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.164 3.709 9.874 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.106 4.713 8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.934 5.473 9.849 1.00 0.00 H new ATOM 228 N ARG A 17 5.080 5.170 9.479 1.00 0.00 N ATOM 229 CA ARG A 17 3.786 4.924 10.212 1.00 0.00 C ATOM 230 C ARG A 17 2.755 4.198 9.317 1.00 0.00 C ATOM 231 O ARG A 17 2.263 3.152 9.702 1.00 0.00 O ATOM 232 CB ARG A 17 3.200 6.248 10.719 1.00 0.00 C ATOM 233 CG ARG A 17 2.624 6.057 12.132 1.00 0.00 C ATOM 234 CD ARG A 17 3.402 6.913 13.138 1.00 0.00 C ATOM 235 NE ARG A 17 4.356 6.052 13.889 1.00 0.00 N ATOM 236 CZ ARG A 17 4.023 5.574 15.057 1.00 0.00 C ATOM 237 NH1 ARG A 17 2.854 5.018 15.225 1.00 0.00 N ATOM 238 NH2 ARG A 17 4.859 5.650 16.056 1.00 0.00 N ATOM 0 H ARG A 17 5.407 6.136 9.488 1.00 0.00 H new ATOM 0 HA ARG A 17 4.006 4.279 11.063 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.973 7.017 10.732 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.419 6.593 10.042 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.570 6.335 12.144 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.680 5.006 12.417 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.942 7.704 12.618 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.712 7.398 13.829 1.00 0.00 H new ATOM 0 HE ARG A 17 5.270 5.836 13.491 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.201 4.957 14.444 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.593 4.644 16.138 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.773 6.083 15.924 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.598 5.276 16.969 1.00 0.00 H new ATOM 252 N PRO A 18 2.444 4.736 8.149 1.00 0.00 N ATOM 253 CA PRO A 18 1.472 4.088 7.247 1.00 0.00 C ATOM 254 C PRO A 18 2.066 2.803 6.661 1.00 0.00 C ATOM 255 O PRO A 18 1.346 1.906 6.263 1.00 0.00 O ATOM 256 CB PRO A 18 1.208 5.139 6.166 1.00 0.00 C ATOM 257 CG PRO A 18 2.420 6.095 6.190 1.00 0.00 C ATOM 258 CD PRO A 18 3.018 5.993 7.604 1.00 0.00 C ATOM 0 HA PRO A 18 0.553 3.786 7.749 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.100 4.672 5.187 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.282 5.679 6.366 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.154 5.812 5.435 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.114 7.118 5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.107 5.954 7.575 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.746 6.854 8.215 1.00 0.00 H new ATOM 266 N ALA A 19 3.372 2.700 6.625 1.00 0.00 N ATOM 267 CA ALA A 19 4.014 1.466 6.089 1.00 0.00 C ATOM 268 C ALA A 19 3.837 0.326 7.102 1.00 0.00 C ATOM 269 O ALA A 19 3.861 -0.837 6.747 1.00 0.00 O ATOM 270 CB ALA A 19 5.506 1.726 5.863 1.00 0.00 C ATOM 0 H ALA A 19 4.020 3.420 6.945 1.00 0.00 H new ATOM 0 HA ALA A 19 3.549 1.189 5.143 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.977 0.825 5.471 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.629 2.540 5.149 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.975 1.999 6.808 1.00 0.00 H new ATOM 276 N THR A 20 3.650 0.655 8.359 1.00 0.00 N ATOM 277 CA THR A 20 3.460 -0.398 9.397 1.00 0.00 C ATOM 278 C THR A 20 1.998 -0.849 9.393 1.00 0.00 C ATOM 279 O THR A 20 1.685 -1.979 9.721 1.00 0.00 O ATOM 280 CB THR A 20 3.815 0.170 10.774 1.00 0.00 C ATOM 281 OG1 THR A 20 4.836 1.147 10.634 1.00 0.00 O ATOM 282 CG2 THR A 20 4.306 -0.957 11.684 1.00 0.00 C ATOM 0 H THR A 20 3.621 1.613 8.708 1.00 0.00 H new ATOM 0 HA THR A 20 4.107 -1.248 9.179 1.00 0.00 H new ATOM 0 HB THR A 20 2.930 0.629 11.215 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.454 1.968 10.259 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.558 -0.550 12.663 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.521 -1.705 11.793 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.190 -1.420 11.245 1.00 0.00 H new ATOM 290 N VAL A 21 1.103 0.030 9.017 1.00 0.00 N ATOM 291 CA VAL A 21 -0.343 -0.335 8.978 1.00 0.00 C ATOM 292 C VAL A 21 -0.573 -1.314 7.833 1.00 0.00 C ATOM 293 O VAL A 21 -1.364 -2.232 7.928 1.00 0.00 O ATOM 294 CB VAL A 21 -1.182 0.915 8.725 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.663 0.582 8.910 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.783 2.021 9.707 1.00 0.00 C ATOM 0 H VAL A 21 1.314 0.987 8.735 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.630 -0.784 9.929 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.008 1.261 7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.262 1.475 8.729 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.952 -0.197 8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.833 0.231 9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.386 2.909 9.519 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.949 1.678 10.728 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.271 2.264 9.573 1.00 0.00 H new ATOM 306 N LEU A 22 0.111 -1.100 6.747 1.00 0.00 N ATOM 307 CA LEU A 22 -0.049 -1.979 5.560 1.00 0.00 C ATOM 308 C LEU A 22 0.650 -3.322 5.788 1.00 0.00 C ATOM 309 O LEU A 22 0.065 -4.368 5.594 1.00 0.00 O ATOM 310 CB LEU A 22 0.569 -1.273 4.358 1.00 0.00 C ATOM 311 CG LEU A 22 -0.252 -0.026 4.030 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.454 0.772 2.934 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.639 -0.445 3.535 1.00 0.00 C ATOM 0 H LEU A 22 0.784 -0.342 6.630 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.107 -2.173 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.601 -0.997 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.592 -1.944 3.499 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.353 0.589 4.925 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.130 1.662 2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.444 1.069 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.552 0.155 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.225 0.443 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.536 -1.058 2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.144 -1.019 4.312 1.00 0.00 H new ATOM 325 N VAL A 23 1.898 -3.305 6.194 1.00 0.00 N ATOM 326 CA VAL A 23 2.638 -4.589 6.424 1.00 0.00 C ATOM 327 C VAL A 23 1.842 -5.497 7.379 1.00 0.00 C ATOM 328 O VAL A 23 1.936 -6.708 7.316 1.00 0.00 O ATOM 329 CB VAL A 23 4.021 -4.277 7.020 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.860 -3.558 8.360 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.804 -5.579 7.232 1.00 0.00 C ATOM 0 H VAL A 23 2.437 -2.458 6.376 1.00 0.00 H new ATOM 0 HA VAL A 23 2.762 -5.110 5.475 1.00 0.00 H new ATOM 0 HB VAL A 23 4.566 -3.635 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.843 -3.340 8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.315 -2.626 8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.307 -4.195 9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.783 -5.350 7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.255 -6.226 7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.931 -6.087 6.276 1.00 0.00 H new ATOM 341 N GLN A 24 1.065 -4.916 8.259 1.00 0.00 N ATOM 342 CA GLN A 24 0.267 -5.737 9.219 1.00 0.00 C ATOM 343 C GLN A 24 -0.948 -6.342 8.508 1.00 0.00 C ATOM 344 O GLN A 24 -1.328 -7.468 8.769 1.00 0.00 O ATOM 345 CB GLN A 24 -0.209 -4.849 10.373 1.00 0.00 C ATOM 346 CG GLN A 24 0.959 -4.560 11.329 1.00 0.00 C ATOM 347 CD GLN A 24 0.641 -5.107 12.725 1.00 0.00 C ATOM 348 OE1 GLN A 24 -0.508 -5.186 13.111 1.00 0.00 O ATOM 349 NE2 GLN A 24 1.618 -5.489 13.501 1.00 0.00 N ATOM 0 H GLN A 24 0.949 -3.907 8.354 1.00 0.00 H new ATOM 0 HA GLN A 24 0.891 -6.542 9.606 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.610 -3.914 9.982 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.018 -5.342 10.912 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.872 -5.018 10.949 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.139 -3.486 11.382 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.583 -5.423 13.177 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.417 -5.854 14.432 1.00 0.00 H new ATOM 358 N THR A 25 -1.561 -5.604 7.617 1.00 0.00 N ATOM 359 CA THR A 25 -2.758 -6.132 6.892 1.00 0.00 C ATOM 360 C THR A 25 -2.324 -7.205 5.886 1.00 0.00 C ATOM 361 O THR A 25 -2.668 -8.363 6.015 1.00 0.00 O ATOM 362 CB THR A 25 -3.453 -4.983 6.151 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.772 -3.952 7.075 1.00 0.00 O ATOM 364 CG2 THR A 25 -4.738 -5.493 5.495 1.00 0.00 C ATOM 0 H THR A 25 -1.284 -4.657 7.360 1.00 0.00 H new ATOM 0 HA THR A 25 -3.449 -6.573 7.610 1.00 0.00 H new ATOM 0 HB THR A 25 -2.786 -4.594 5.382 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.960 -3.451 7.300 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.228 -4.673 4.970 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.495 -6.285 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.407 -5.885 6.261 1.00 0.00 H new ATOM 372 N ALA A 26 -1.578 -6.821 4.878 1.00 0.00 N ATOM 373 CA ALA A 26 -1.117 -7.800 3.844 1.00 0.00 C ATOM 374 C ALA A 26 -0.437 -9.006 4.505 1.00 0.00 C ATOM 375 O ALA A 26 -0.432 -10.096 3.962 1.00 0.00 O ATOM 376 CB ALA A 26 -0.122 -7.111 2.909 1.00 0.00 C ATOM 0 H ALA A 26 -1.266 -5.862 4.726 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.982 -8.151 3.282 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.218 -7.819 2.153 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.607 -6.265 2.422 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.733 -6.757 3.485 1.00 0.00 H new ATOM 382 N SER A 27 0.136 -8.821 5.669 1.00 0.00 N ATOM 383 CA SER A 27 0.814 -9.958 6.364 1.00 0.00 C ATOM 384 C SER A 27 -0.212 -11.054 6.666 1.00 0.00 C ATOM 385 O SER A 27 0.027 -12.223 6.429 1.00 0.00 O ATOM 386 CB SER A 27 1.433 -9.463 7.673 1.00 0.00 C ATOM 387 OG SER A 27 1.764 -10.579 8.491 1.00 0.00 O ATOM 0 H SER A 27 0.163 -7.932 6.168 1.00 0.00 H new ATOM 0 HA SER A 27 1.598 -10.360 5.723 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.326 -8.873 7.466 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.733 -8.810 8.195 1.00 0.00 H new ATOM 0 HG SER A 27 2.162 -10.264 9.329 1.00 0.00 H new ATOM 393 N LYS A 28 -1.353 -10.679 7.185 1.00 0.00 N ATOM 394 CA LYS A 28 -2.405 -11.686 7.508 1.00 0.00 C ATOM 395 C LYS A 28 -2.881 -12.379 6.223 1.00 0.00 C ATOM 396 O LYS A 28 -3.423 -13.468 6.268 1.00 0.00 O ATOM 397 CB LYS A 28 -3.590 -10.987 8.178 1.00 0.00 C ATOM 398 CG LYS A 28 -3.378 -10.959 9.694 1.00 0.00 C ATOM 399 CD LYS A 28 -2.571 -9.717 10.075 1.00 0.00 C ATOM 400 CE LYS A 28 -2.502 -9.599 11.599 1.00 0.00 C ATOM 401 NZ LYS A 28 -1.708 -8.394 11.970 1.00 0.00 N ATOM 0 H LYS A 28 -1.601 -9.713 7.400 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.989 -12.433 8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.690 -9.971 7.796 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.516 -11.510 7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.340 -10.951 10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.853 -11.859 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.566 -9.782 9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.034 -8.826 9.651 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.507 -9.527 12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.045 -10.493 12.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.849 -8.687 12.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.442 -7.875 11.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.278 -7.778 12.583 1.00 0.00 H new ATOM 415 N TYR A 29 -2.690 -11.758 5.081 1.00 0.00 N ATOM 416 CA TYR A 29 -3.138 -12.387 3.803 1.00 0.00 C ATOM 417 C TYR A 29 -2.017 -13.255 3.231 1.00 0.00 C ATOM 418 O TYR A 29 -0.899 -12.809 3.058 1.00 0.00 O ATOM 419 CB TYR A 29 -3.511 -11.296 2.794 1.00 0.00 C ATOM 420 CG TYR A 29 -4.776 -10.613 3.253 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.018 -11.205 3.000 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.707 -9.394 3.939 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.193 -10.579 3.430 1.00 0.00 C ATOM 424 CE2 TYR A 29 -5.882 -8.769 4.372 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.126 -9.361 4.117 1.00 0.00 C ATOM 426 OH TYR A 29 -8.285 -8.747 4.544 1.00 0.00 O ATOM 0 H TYR A 29 -2.244 -10.846 4.982 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.010 -13.011 3.998 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.702 -10.571 2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.656 -11.731 1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.070 -12.146 2.472 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.748 -8.937 4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.152 -11.035 3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.830 -7.830 4.903 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.102 -8.232 5.357 1.00 0.00 H new ATOM 436 N ASP A 30 -2.315 -14.495 2.937 1.00 0.00 N ATOM 437 CA ASP A 30 -1.282 -15.412 2.376 1.00 0.00 C ATOM 438 C ASP A 30 -0.847 -14.918 0.995 1.00 0.00 C ATOM 439 O ASP A 30 0.267 -15.154 0.567 1.00 0.00 O ATOM 440 CB ASP A 30 -1.867 -16.820 2.249 1.00 0.00 C ATOM 441 CG ASP A 30 -1.663 -17.578 3.561 1.00 0.00 C ATOM 442 OD1 ASP A 30 -1.893 -16.991 4.604 1.00 0.00 O ATOM 443 OD2 ASP A 30 -1.279 -18.736 3.499 1.00 0.00 O ATOM 0 H ASP A 30 -3.237 -14.913 3.063 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.419 -15.431 3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.929 -16.764 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.384 -17.353 1.430 1.00 0.00 H new ATOM 448 N ALA A 31 -1.719 -14.237 0.294 1.00 0.00 N ATOM 449 CA ALA A 31 -1.364 -13.728 -1.065 1.00 0.00 C ATOM 450 C ALA A 31 -0.171 -12.774 -0.965 1.00 0.00 C ATOM 451 O ALA A 31 -0.047 -12.019 -0.019 1.00 0.00 O ATOM 452 CB ALA A 31 -2.561 -12.983 -1.660 1.00 0.00 C ATOM 0 H ALA A 31 -2.664 -14.011 0.606 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.101 -14.569 -1.706 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.302 -12.612 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.410 -13.662 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.824 -12.144 -1.016 1.00 0.00 H new ATOM 458 N ASP A 32 0.704 -12.806 -1.937 1.00 0.00 N ATOM 459 CA ASP A 32 1.893 -11.907 -1.912 1.00 0.00 C ATOM 460 C ASP A 32 1.547 -10.592 -2.609 1.00 0.00 C ATOM 461 O ASP A 32 1.650 -10.474 -3.816 1.00 0.00 O ATOM 462 CB ASP A 32 3.058 -12.581 -2.640 1.00 0.00 C ATOM 463 CG ASP A 32 3.462 -13.852 -1.890 1.00 0.00 C ATOM 464 OD1 ASP A 32 3.636 -13.775 -0.685 1.00 0.00 O ATOM 465 OD2 ASP A 32 3.589 -14.881 -2.535 1.00 0.00 O ATOM 0 H ASP A 32 0.644 -13.419 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 32 2.179 -11.708 -0.879 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.769 -12.826 -3.662 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.905 -11.898 -2.703 1.00 0.00 H new ATOM 470 N VAL A 33 1.138 -9.605 -1.856 1.00 0.00 N ATOM 471 CA VAL A 33 0.782 -8.290 -2.464 1.00 0.00 C ATOM 472 C VAL A 33 2.030 -7.401 -2.512 1.00 0.00 C ATOM 473 O VAL A 33 2.781 -7.322 -1.558 1.00 0.00 O ATOM 474 CB VAL A 33 -0.321 -7.622 -1.626 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.554 -8.541 -1.565 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.190 -7.356 -0.203 1.00 0.00 C ATOM 0 H VAL A 33 1.035 -9.654 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 33 0.412 -8.436 -3.479 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.596 -6.675 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.334 -8.065 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.925 -8.719 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.278 -9.491 -1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.597 -6.883 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.474 -8.299 0.264 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.057 -6.697 -0.245 1.00 0.00 H new ATOM 486 N ASN A 34 2.262 -6.744 -3.621 1.00 0.00 N ATOM 487 CA ASN A 34 3.467 -5.871 -3.741 1.00 0.00 C ATOM 488 C ASN A 34 3.075 -4.506 -4.310 1.00 0.00 C ATOM 489 O ASN A 34 2.289 -4.408 -5.233 1.00 0.00 O ATOM 490 CB ASN A 34 4.479 -6.538 -4.676 1.00 0.00 C ATOM 491 CG ASN A 34 4.791 -7.948 -4.170 1.00 0.00 C ATOM 492 OD1 ASN A 34 5.637 -8.127 -3.317 1.00 0.00 O ATOM 493 ND2 ASN A 34 4.138 -8.965 -4.665 1.00 0.00 N ATOM 0 H ASN A 34 1.667 -6.775 -4.449 1.00 0.00 H new ATOM 0 HA ASN A 34 3.907 -5.731 -2.754 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.079 -6.584 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.393 -5.946 -4.721 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.339 -9.909 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.427 -8.815 -5.381 1.00 0.00 H new ATOM 500 N LEU A 35 3.632 -3.455 -3.767 1.00 0.00 N ATOM 501 CA LEU A 35 3.320 -2.084 -4.266 1.00 0.00 C ATOM 502 C LEU A 35 4.300 -1.736 -5.390 1.00 0.00 C ATOM 503 O LEU A 35 5.382 -2.291 -5.466 1.00 0.00 O ATOM 504 CB LEU A 35 3.475 -1.082 -3.117 1.00 0.00 C ATOM 505 CG LEU A 35 2.715 0.214 -3.441 1.00 0.00 C ATOM 506 CD1 LEU A 35 1.841 0.614 -2.247 1.00 0.00 C ATOM 507 CD2 LEU A 35 3.715 1.338 -3.736 1.00 0.00 C ATOM 0 H LEU A 35 4.295 -3.489 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 35 2.298 -2.043 -4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.093 -1.515 -2.192 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.530 -0.863 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 35 2.084 0.049 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.304 1.533 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.125 -0.181 -2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.471 0.775 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.174 2.256 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.349 1.499 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.334 1.059 -4.589 1.00 0.00 H new ATOM 519 N GLU A 36 3.934 -0.834 -6.268 1.00 0.00 N ATOM 520 CA GLU A 36 4.848 -0.469 -7.392 1.00 0.00 C ATOM 521 C GLU A 36 4.911 1.052 -7.554 1.00 0.00 C ATOM 522 O GLU A 36 3.899 1.719 -7.640 1.00 0.00 O ATOM 523 CB GLU A 36 4.332 -1.096 -8.690 1.00 0.00 C ATOM 524 CG GLU A 36 5.416 -1.020 -9.777 1.00 0.00 C ATOM 525 CD GLU A 36 4.904 -0.211 -10.972 1.00 0.00 C ATOM 526 OE1 GLU A 36 3.712 -0.271 -11.235 1.00 0.00 O ATOM 527 OE2 GLU A 36 5.710 0.454 -11.603 1.00 0.00 O ATOM 0 H GLU A 36 3.044 -0.336 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 36 5.848 -0.843 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.052 -2.135 -8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.434 -0.576 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.316 -0.557 -9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.691 -2.024 -10.099 1.00 0.00 H new ATOM 534 N TYR A 37 6.100 1.597 -7.610 1.00 0.00 N ATOM 535 CA TYR A 37 6.249 3.071 -7.785 1.00 0.00 C ATOM 536 C TYR A 37 6.740 3.358 -9.209 1.00 0.00 C ATOM 537 O TYR A 37 7.775 3.967 -9.413 1.00 0.00 O ATOM 538 CB TYR A 37 7.268 3.615 -6.769 1.00 0.00 C ATOM 539 CG TYR A 37 6.980 5.072 -6.420 1.00 0.00 C ATOM 540 CD1 TYR A 37 6.354 5.935 -7.341 1.00 0.00 C ATOM 541 CD2 TYR A 37 7.360 5.562 -5.163 1.00 0.00 C ATOM 542 CE1 TYR A 37 6.112 7.270 -7.000 1.00 0.00 C ATOM 543 CE2 TYR A 37 7.115 6.899 -4.826 1.00 0.00 C ATOM 544 CZ TYR A 37 6.492 7.752 -5.743 1.00 0.00 C ATOM 545 OH TYR A 37 6.254 9.069 -5.408 1.00 0.00 O ATOM 0 H TYR A 37 6.977 1.081 -7.542 1.00 0.00 H new ATOM 0 HA TYR A 37 5.288 3.558 -7.621 1.00 0.00 H new ATOM 0 HB2 TYR A 37 7.240 3.010 -5.863 1.00 0.00 H new ATOM 0 HB3 TYR A 37 8.274 3.529 -7.179 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.060 5.565 -8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.843 4.907 -4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 37 5.631 7.929 -7.708 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.408 7.272 -3.856 1.00 0.00 H new ATOM 0 HH TYR A 37 6.578 9.239 -4.499 1.00 0.00 H new ATOM 555 N ASN A 38 6.000 2.921 -10.197 1.00 0.00 N ATOM 556 CA ASN A 38 6.404 3.162 -11.618 1.00 0.00 C ATOM 557 C ASN A 38 7.818 2.619 -11.873 1.00 0.00 C ATOM 558 O ASN A 38 8.493 3.046 -12.790 1.00 0.00 O ATOM 559 CB ASN A 38 6.382 4.665 -11.901 1.00 0.00 C ATOM 560 CG ASN A 38 4.950 5.105 -12.209 1.00 0.00 C ATOM 561 OD1 ASN A 38 4.154 4.327 -12.694 1.00 0.00 O ATOM 562 ND2 ASN A 38 4.587 6.331 -11.947 1.00 0.00 N ATOM 0 H ASN A 38 5.128 2.405 -10.080 1.00 0.00 H new ATOM 0 HA ASN A 38 5.704 2.647 -12.276 1.00 0.00 H new ATOM 0 HB2 ASN A 38 6.765 5.214 -11.041 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.034 4.897 -12.743 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.635 6.635 -12.150 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.256 6.985 -11.540 1.00 0.00 H new ATOM 569 N GLY A 39 8.267 1.683 -11.072 1.00 0.00 N ATOM 570 CA GLY A 39 9.632 1.117 -11.270 1.00 0.00 C ATOM 571 C GLY A 39 10.156 0.561 -9.945 1.00 0.00 C ATOM 572 O GLY A 39 10.763 -0.492 -9.904 1.00 0.00 O ATOM 0 H GLY A 39 7.744 1.288 -10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.604 0.328 -12.021 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.305 1.888 -11.644 1.00 0.00 H new ATOM 576 N LYS A 40 9.926 1.261 -8.863 1.00 0.00 N ATOM 577 CA LYS A 40 10.411 0.778 -7.535 1.00 0.00 C ATOM 578 C LYS A 40 9.335 -0.097 -6.888 1.00 0.00 C ATOM 579 O LYS A 40 8.506 0.382 -6.136 1.00 0.00 O ATOM 580 CB LYS A 40 10.706 1.978 -6.632 1.00 0.00 C ATOM 581 CG LYS A 40 11.685 2.918 -7.337 1.00 0.00 C ATOM 582 CD LYS A 40 13.085 2.302 -7.323 1.00 0.00 C ATOM 583 CE LYS A 40 13.875 2.799 -8.535 1.00 0.00 C ATOM 584 NZ LYS A 40 14.574 4.068 -8.185 1.00 0.00 N ATOM 0 H LYS A 40 9.422 2.148 -8.842 1.00 0.00 H new ATOM 0 HA LYS A 40 11.321 0.194 -7.670 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.782 2.507 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.128 1.640 -5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.363 3.092 -8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.698 3.887 -6.839 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.603 2.572 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.015 1.214 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.599 2.046 -8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.204 2.961 -9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.111 4.407 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.873 4.786 -7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.226 3.898 -7.392 1.00 0.00 H new ATOM 598 N THR A 41 9.342 -1.374 -7.177 1.00 0.00 N ATOM 599 CA THR A 41 8.319 -2.284 -6.584 1.00 0.00 C ATOM 600 C THR A 41 8.847 -2.884 -5.281 1.00 0.00 C ATOM 601 O THR A 41 9.771 -3.675 -5.279 1.00 0.00 O ATOM 602 CB THR A 41 8.001 -3.413 -7.566 1.00 0.00 C ATOM 603 OG1 THR A 41 7.687 -2.860 -8.837 1.00 0.00 O ATOM 604 CG2 THR A 41 6.807 -4.219 -7.048 1.00 0.00 C ATOM 0 H THR A 41 10.013 -1.825 -7.799 1.00 0.00 H new ATOM 0 HA THR A 41 7.414 -1.712 -6.379 1.00 0.00 H new ATOM 0 HB THR A 41 8.867 -4.069 -7.660 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.485 -3.583 -9.467 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.580 -5.024 -7.748 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.049 -4.643 -6.074 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.940 -3.565 -6.954 1.00 0.00 H new ATOM 612 N VAL A 42 8.253 -2.518 -4.175 1.00 0.00 N ATOM 613 CA VAL A 42 8.696 -3.070 -2.859 1.00 0.00 C ATOM 614 C VAL A 42 7.595 -3.968 -2.306 1.00 0.00 C ATOM 615 O VAL A 42 6.424 -3.734 -2.531 1.00 0.00 O ATOM 616 CB VAL A 42 8.968 -1.941 -1.848 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.378 -1.388 -2.052 1.00 0.00 C ATOM 618 CG2 VAL A 42 7.944 -0.808 -2.015 1.00 0.00 C ATOM 0 H VAL A 42 7.477 -1.858 -4.126 1.00 0.00 H new ATOM 0 HA VAL A 42 9.617 -3.632 -3.011 1.00 0.00 H new ATOM 0 HB VAL A 42 8.879 -2.351 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.563 -0.590 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.106 -2.185 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.471 -0.994 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.153 -0.020 -1.292 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.012 -0.402 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.940 -1.198 -1.847 1.00 0.00 H new ATOM 628 N ASN A 43 7.960 -4.990 -1.576 1.00 0.00 N ATOM 629 CA ASN A 43 6.932 -5.902 -0.998 1.00 0.00 C ATOM 630 C ASN A 43 6.089 -5.122 0.011 1.00 0.00 C ATOM 631 O ASN A 43 6.604 -4.332 0.780 1.00 0.00 O ATOM 632 CB ASN A 43 7.625 -7.069 -0.291 1.00 0.00 C ATOM 633 CG ASN A 43 6.670 -8.261 -0.216 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.563 -8.138 0.269 1.00 0.00 O ATOM 635 ND2 ASN A 43 7.055 -9.420 -0.677 1.00 0.00 N ATOM 0 H ASN A 43 8.926 -5.231 -1.356 1.00 0.00 H new ATOM 0 HA ASN A 43 6.293 -6.290 -1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.530 -7.348 -0.830 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.930 -6.771 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.426 -10.222 -0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.984 -9.524 -1.084 1.00 0.00 H new ATOM 642 N LEU A 44 4.794 -5.336 0.019 1.00 0.00 N ATOM 643 CA LEU A 44 3.906 -4.607 0.982 1.00 0.00 C ATOM 644 C LEU A 44 4.423 -4.824 2.411 1.00 0.00 C ATOM 645 O LEU A 44 4.278 -3.975 3.271 1.00 0.00 O ATOM 646 CB LEU A 44 2.469 -5.145 0.840 1.00 0.00 C ATOM 647 CG LEU A 44 1.430 -4.182 1.456 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.574 -4.159 2.977 1.00 0.00 C ATOM 649 CD2 LEU A 44 1.604 -2.760 0.900 1.00 0.00 C ATOM 0 H LEU A 44 4.312 -5.986 -0.602 1.00 0.00 H new ATOM 0 HA LEU A 44 3.910 -3.538 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.241 -5.298 -0.215 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.396 -6.118 1.327 1.00 0.00 H new ATOM 0 HG LEU A 44 0.435 -4.540 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.837 -3.477 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.412 -5.161 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.576 -3.822 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.861 -2.100 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.603 -2.396 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.471 -2.773 -0.182 1.00 0.00 H new ATOM 661 N LYS A 45 5.048 -5.949 2.657 1.00 0.00 N ATOM 662 CA LYS A 45 5.600 -6.222 4.013 1.00 0.00 C ATOM 663 C LYS A 45 7.046 -5.717 4.070 1.00 0.00 C ATOM 664 O LYS A 45 7.978 -6.474 4.272 1.00 0.00 O ATOM 665 CB LYS A 45 5.561 -7.730 4.286 1.00 0.00 C ATOM 666 CG LYS A 45 4.123 -8.240 4.141 1.00 0.00 C ATOM 667 CD LYS A 45 4.134 -9.634 3.509 1.00 0.00 C ATOM 668 CE LYS A 45 2.910 -9.795 2.604 1.00 0.00 C ATOM 669 NZ LYS A 45 2.489 -11.225 2.587 1.00 0.00 N ATOM 0 H LYS A 45 5.198 -6.690 1.973 1.00 0.00 H new ATOM 0 HA LYS A 45 5.005 -5.710 4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.216 -8.253 3.589 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.932 -7.938 5.289 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.639 -8.276 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.544 -7.554 3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.047 -9.776 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.127 -10.397 4.287 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.094 -9.169 2.964 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.146 -9.462 1.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.657 -11.335 1.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.267 -11.812 2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.248 -11.527 3.552 1.00 0.00 H new ATOM 683 N SER A 46 7.234 -4.433 3.888 1.00 0.00 N ATOM 684 CA SER A 46 8.608 -3.853 3.925 1.00 0.00 C ATOM 685 C SER A 46 8.521 -2.411 4.424 1.00 0.00 C ATOM 686 O SER A 46 8.403 -1.483 3.647 1.00 0.00 O ATOM 687 CB SER A 46 9.214 -3.873 2.518 1.00 0.00 C ATOM 688 OG SER A 46 10.626 -4.007 2.620 1.00 0.00 O ATOM 0 H SER A 46 6.488 -3.759 3.714 1.00 0.00 H new ATOM 0 HA SER A 46 9.239 -4.440 4.593 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.799 -4.700 1.942 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.961 -2.955 1.987 1.00 0.00 H new ATOM 0 HG SER A 46 11.019 -4.022 1.722 1.00 0.00 H new ATOM 694 N ILE A 47 8.568 -2.222 5.717 1.00 0.00 N ATOM 695 CA ILE A 47 8.478 -0.843 6.280 1.00 0.00 C ATOM 696 C ILE A 47 9.760 -0.071 5.960 1.00 0.00 C ATOM 697 O ILE A 47 9.723 1.102 5.639 1.00 0.00 O ATOM 698 CB ILE A 47 8.285 -0.921 7.795 1.00 0.00 C ATOM 699 CG1 ILE A 47 7.077 -1.823 8.097 1.00 0.00 C ATOM 700 CG2 ILE A 47 8.037 0.492 8.339 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.815 -1.866 9.606 1.00 0.00 C ATOM 0 H ILE A 47 8.665 -2.965 6.409 1.00 0.00 H new ATOM 0 HA ILE A 47 7.628 -0.325 5.835 1.00 0.00 H new ATOM 0 HB ILE A 47 9.173 -1.338 8.270 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.195 -1.448 7.578 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.263 -2.830 7.724 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.898 0.447 9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.894 1.126 8.109 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.143 0.909 7.875 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.957 -2.508 9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.693 -2.262 10.117 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.608 -0.859 9.968 1.00 0.00 H new ATOM 713 N MET A 48 10.892 -0.722 6.045 1.00 0.00 N ATOM 714 CA MET A 48 12.183 -0.038 5.746 1.00 0.00 C ATOM 715 C MET A 48 12.316 0.170 4.233 1.00 0.00 C ATOM 716 O MET A 48 12.959 1.099 3.782 1.00 0.00 O ATOM 717 CB MET A 48 13.340 -0.904 6.247 1.00 0.00 C ATOM 718 CG MET A 48 14.659 -0.152 6.073 1.00 0.00 C ATOM 719 SD MET A 48 14.805 1.121 7.352 1.00 0.00 S ATOM 720 CE MET A 48 16.602 1.041 7.553 1.00 0.00 C ATOM 0 H MET A 48 10.976 -1.703 6.310 1.00 0.00 H new ATOM 0 HA MET A 48 12.208 0.930 6.246 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.190 -1.157 7.297 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.370 -1.843 5.694 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.497 -0.846 6.139 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.701 0.305 5.084 1.00 0.00 H new ATOM 0 HE1 MET A 48 16.916 1.759 8.311 1.00 0.00 H new ATOM 0 HE2 MET A 48 16.889 0.037 7.864 1.00 0.00 H new ATOM 0 HE3 MET A 48 17.085 1.279 6.605 1.00 0.00 H new ATOM 730 N GLY A 49 11.713 -0.689 3.450 1.00 0.00 N ATOM 731 CA GLY A 49 11.803 -0.552 1.966 1.00 0.00 C ATOM 732 C GLY A 49 10.913 0.601 1.495 1.00 0.00 C ATOM 733 O GLY A 49 11.217 1.271 0.525 1.00 0.00 O ATOM 0 H GLY A 49 11.161 -1.482 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.836 -0.370 1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.494 -1.481 1.487 1.00 0.00 H new ATOM 737 N VAL A 50 9.818 0.836 2.172 1.00 0.00 N ATOM 738 CA VAL A 50 8.903 1.944 1.765 1.00 0.00 C ATOM 739 C VAL A 50 9.491 3.281 2.223 1.00 0.00 C ATOM 740 O VAL A 50 9.339 4.294 1.566 1.00 0.00 O ATOM 741 CB VAL A 50 7.528 1.739 2.409 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.556 2.807 1.898 1.00 0.00 C ATOM 743 CG2 VAL A 50 6.992 0.351 2.043 1.00 0.00 C ATOM 0 H VAL A 50 9.518 0.307 2.991 1.00 0.00 H new ATOM 0 HA VAL A 50 8.794 1.946 0.680 1.00 0.00 H new ATOM 0 HB VAL A 50 7.623 1.821 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.579 2.659 2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.933 3.796 2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.464 2.727 0.815 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.014 0.206 2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.900 0.270 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.680 -0.412 2.407 1.00 0.00 H new ATOM 753 N VAL A 51 10.165 3.288 3.346 1.00 0.00 N ATOM 754 CA VAL A 51 10.768 4.554 3.855 1.00 0.00 C ATOM 755 C VAL A 51 11.926 4.963 2.941 1.00 0.00 C ATOM 756 O VAL A 51 12.170 6.134 2.722 1.00 0.00 O ATOM 757 CB VAL A 51 11.292 4.338 5.279 1.00 0.00 C ATOM 758 CG1 VAL A 51 11.800 5.666 5.845 1.00 0.00 C ATOM 759 CG2 VAL A 51 10.161 3.805 6.167 1.00 0.00 C ATOM 0 H VAL A 51 10.323 2.468 3.932 1.00 0.00 H new ATOM 0 HA VAL A 51 10.013 5.340 3.865 1.00 0.00 H new ATOM 0 HB VAL A 51 12.108 3.616 5.257 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.172 5.511 6.858 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.606 6.045 5.216 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.984 6.389 5.865 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.535 3.652 7.179 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.344 4.526 6.187 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.800 2.858 5.766 1.00 0.00 H new ATOM 769 N SER A 52 12.637 4.002 2.406 1.00 0.00 N ATOM 770 CA SER A 52 13.780 4.323 1.503 1.00 0.00 C ATOM 771 C SER A 52 13.260 5.047 0.260 1.00 0.00 C ATOM 772 O SER A 52 13.915 5.918 -0.282 1.00 0.00 O ATOM 773 CB SER A 52 14.476 3.028 1.081 1.00 0.00 C ATOM 774 OG SER A 52 13.543 2.191 0.412 1.00 0.00 O ATOM 0 H SER A 52 12.473 3.007 2.557 1.00 0.00 H new ATOM 0 HA SER A 52 14.488 4.963 2.029 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.318 3.251 0.425 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.879 2.517 1.955 1.00 0.00 H new ATOM 0 HG SER A 52 12.664 2.276 0.837 1.00 0.00 H new ATOM 780 N LEU A 53 12.085 4.690 -0.192 1.00 0.00 N ATOM 781 CA LEU A 53 11.508 5.349 -1.400 1.00 0.00 C ATOM 782 C LEU A 53 11.060 6.766 -1.041 1.00 0.00 C ATOM 783 O LEU A 53 11.219 7.692 -1.815 1.00 0.00 O ATOM 784 CB LEU A 53 10.304 4.543 -1.894 1.00 0.00 C ATOM 785 CG LEU A 53 10.724 3.094 -2.147 1.00 0.00 C ATOM 786 CD1 LEU A 53 9.499 2.183 -2.057 1.00 0.00 C ATOM 787 CD2 LEU A 53 11.339 2.980 -3.545 1.00 0.00 C ATOM 0 H LEU A 53 11.499 3.967 0.226 1.00 0.00 H new ATOM 0 HA LEU A 53 12.262 5.394 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.504 4.576 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.910 4.983 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 53 11.457 2.793 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.799 1.151 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.057 2.264 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.766 2.484 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.639 1.948 -3.727 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.604 3.282 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.212 3.629 -3.612 1.00 0.00 H new ATOM 799 N GLY A 54 10.499 6.941 0.129 1.00 0.00 N ATOM 800 CA GLY A 54 10.035 8.296 0.551 1.00 0.00 C ATOM 801 C GLY A 54 8.904 8.759 -0.370 1.00 0.00 C ATOM 802 O GLY A 54 9.090 9.625 -1.204 1.00 0.00 O ATOM 0 H GLY A 54 10.342 6.200 0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.688 8.268 1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.863 9.004 0.512 1.00 0.00 H new ATOM 806 N ILE A 55 7.734 8.189 -0.223 1.00 0.00 N ATOM 807 CA ILE A 55 6.585 8.595 -1.088 1.00 0.00 C ATOM 808 C ILE A 55 5.954 9.866 -0.520 1.00 0.00 C ATOM 809 O ILE A 55 6.004 10.114 0.670 1.00 0.00 O ATOM 810 CB ILE A 55 5.536 7.474 -1.134 1.00 0.00 C ATOM 811 CG1 ILE A 55 6.229 6.129 -1.406 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.535 7.763 -2.254 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.207 4.989 -1.359 1.00 0.00 C ATOM 0 H ILE A 55 7.525 7.460 0.459 1.00 0.00 H new ATOM 0 HA ILE A 55 6.944 8.782 -2.100 1.00 0.00 H new ATOM 0 HB ILE A 55 5.015 7.426 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.714 6.152 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.010 5.958 -0.665 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.789 6.969 -2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.042 8.716 -2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.060 7.810 -3.208 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.710 4.041 -1.553 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.742 4.958 -0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.441 5.155 -2.117 1.00 0.00 H new ATOM 825 N ALA A 56 5.371 10.676 -1.366 1.00 0.00 N ATOM 826 CA ALA A 56 4.746 11.941 -0.886 1.00 0.00 C ATOM 827 C ALA A 56 3.385 12.136 -1.559 1.00 0.00 C ATOM 828 O ALA A 56 3.015 11.401 -2.454 1.00 0.00 O ATOM 829 CB ALA A 56 5.667 13.112 -1.236 1.00 0.00 C ATOM 0 H ALA A 56 5.302 10.514 -2.371 1.00 0.00 H new ATOM 0 HA ALA A 56 4.602 11.893 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.219 14.043 -0.889 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.634 12.972 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.805 13.156 -2.316 1.00 0.00 H new ATOM 835 N LYS A 57 2.635 13.121 -1.127 1.00 0.00 N ATOM 836 CA LYS A 57 1.285 13.376 -1.726 1.00 0.00 C ATOM 837 C LYS A 57 1.395 13.509 -3.255 1.00 0.00 C ATOM 838 O LYS A 57 2.455 13.780 -3.787 1.00 0.00 O ATOM 839 CB LYS A 57 0.673 14.655 -1.107 1.00 0.00 C ATOM 840 CG LYS A 57 1.341 15.934 -1.650 1.00 0.00 C ATOM 841 CD LYS A 57 2.793 16.011 -1.176 1.00 0.00 C ATOM 842 CE LYS A 57 3.353 17.405 -1.470 1.00 0.00 C ATOM 843 NZ LYS A 57 2.576 18.423 -0.709 1.00 0.00 N ATOM 0 H LYS A 57 2.901 13.764 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 57 0.630 12.533 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.396 14.685 -1.320 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.781 14.621 -0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.305 15.938 -2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.792 16.812 -1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.849 15.803 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.392 15.253 -1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.406 17.452 -1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.297 17.613 -2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.177 19.252 -0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.746 18.713 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.262 18.016 0.195 1.00 0.00 H new ATOM 857 N GLY A 58 0.305 13.318 -3.955 1.00 0.00 N ATOM 858 CA GLY A 58 0.336 13.430 -5.443 1.00 0.00 C ATOM 859 C GLY A 58 1.251 12.347 -6.016 1.00 0.00 C ATOM 860 O GLY A 58 2.009 12.587 -6.936 1.00 0.00 O ATOM 0 H GLY A 58 -0.606 13.089 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.670 13.323 -5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.694 14.417 -5.737 1.00 0.00 H new ATOM 864 N ALA A 59 1.184 11.157 -5.473 1.00 0.00 N ATOM 865 CA ALA A 59 2.047 10.050 -5.978 1.00 0.00 C ATOM 866 C ALA A 59 1.169 8.868 -6.393 1.00 0.00 C ATOM 867 O ALA A 59 0.428 8.328 -5.596 1.00 0.00 O ATOM 868 CB ALA A 59 3.009 9.610 -4.872 1.00 0.00 C ATOM 0 H ALA A 59 0.567 10.906 -4.700 1.00 0.00 H new ATOM 0 HA ALA A 59 2.618 10.397 -6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.640 8.801 -5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.634 10.453 -4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.439 9.262 -4.011 1.00 0.00 H new ATOM 874 N GLU A 60 1.251 8.465 -7.635 1.00 0.00 N ATOM 875 CA GLU A 60 0.424 7.317 -8.112 1.00 0.00 C ATOM 876 C GLU A 60 1.143 6.006 -7.790 1.00 0.00 C ATOM 877 O GLU A 60 2.323 5.857 -8.042 1.00 0.00 O ATOM 878 CB GLU A 60 0.222 7.429 -9.625 1.00 0.00 C ATOM 879 CG GLU A 60 -0.455 8.761 -9.955 1.00 0.00 C ATOM 880 CD GLU A 60 0.093 9.301 -11.279 1.00 0.00 C ATOM 881 OE1 GLU A 60 1.300 9.273 -11.451 1.00 0.00 O ATOM 882 OE2 GLU A 60 -0.705 9.732 -12.095 1.00 0.00 O ATOM 0 H GLU A 60 1.857 8.883 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.545 7.333 -7.614 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.182 7.361 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.389 6.600 -9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.534 8.625 -10.025 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.276 9.480 -9.155 1.00 0.00 H new ATOM 889 N ILE A 61 0.437 5.055 -7.231 1.00 0.00 N ATOM 890 CA ILE A 61 1.069 3.746 -6.886 1.00 0.00 C ATOM 891 C ILE A 61 0.246 2.609 -7.494 1.00 0.00 C ATOM 892 O ILE A 61 -0.892 2.796 -7.881 1.00 0.00 O ATOM 893 CB ILE A 61 1.125 3.588 -5.363 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.265 3.854 -4.767 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.134 4.589 -4.790 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.230 3.664 -3.248 1.00 0.00 C ATOM 0 H ILE A 61 -0.553 5.130 -6.998 1.00 0.00 H new ATOM 0 HA ILE A 61 2.082 3.713 -7.287 1.00 0.00 H new ATOM 0 HB ILE A 61 1.434 2.574 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.585 4.868 -5.007 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.995 3.176 -5.210 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.178 4.481 -3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.119 4.396 -5.214 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.823 5.603 -5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.220 3.855 -2.835 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.069 2.642 -3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.486 4.360 -2.811 1.00 0.00 H new ATOM 908 N THR A 62 0.815 1.433 -7.581 1.00 0.00 N ATOM 909 CA THR A 62 0.074 0.278 -8.169 1.00 0.00 C ATOM 910 C THR A 62 0.374 -0.990 -7.364 1.00 0.00 C ATOM 911 O THR A 62 1.476 -1.503 -7.386 1.00 0.00 O ATOM 912 CB THR A 62 0.516 0.076 -9.621 1.00 0.00 C ATOM 913 OG1 THR A 62 0.762 1.341 -10.219 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.583 -0.651 -10.396 1.00 0.00 C ATOM 0 H THR A 62 1.763 1.224 -7.269 1.00 0.00 H new ATOM 0 HA THR A 62 -0.996 0.481 -8.138 1.00 0.00 H new ATOM 0 HB THR A 62 1.428 -0.521 -9.643 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.047 1.214 -11.148 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.266 -0.794 -11.429 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.771 -1.622 -9.937 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.497 -0.057 -10.375 1.00 0.00 H new ATOM 922 N ILE A 63 -0.605 -1.497 -6.660 1.00 0.00 N ATOM 923 CA ILE A 63 -0.396 -2.733 -5.851 1.00 0.00 C ATOM 924 C ILE A 63 -0.779 -3.954 -6.696 1.00 0.00 C ATOM 925 O ILE A 63 -1.461 -3.838 -7.696 1.00 0.00 O ATOM 926 CB ILE A 63 -1.272 -2.663 -4.591 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.814 -1.482 -3.731 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.146 -3.958 -3.781 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.770 -1.302 -2.551 1.00 0.00 C ATOM 0 H ILE A 63 -1.545 -1.105 -6.611 1.00 0.00 H new ATOM 0 HA ILE A 63 0.649 -2.818 -5.554 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.313 -2.533 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.199 -1.656 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.786 -0.572 -4.331 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.772 -3.893 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.469 -4.802 -4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.107 -4.102 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.441 -0.461 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.776 -1.108 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.776 -2.208 -1.946 1.00 0.00 H new ATOM 941 N SER A 64 -0.343 -5.123 -6.295 1.00 0.00 N ATOM 942 CA SER A 64 -0.675 -6.354 -7.068 1.00 0.00 C ATOM 943 C SER A 64 -0.740 -7.557 -6.125 1.00 0.00 C ATOM 944 O SER A 64 0.275 -8.088 -5.713 1.00 0.00 O ATOM 945 CB SER A 64 0.398 -6.597 -8.126 1.00 0.00 C ATOM 946 OG SER A 64 1.674 -6.288 -7.581 1.00 0.00 O ATOM 0 H SER A 64 0.229 -5.275 -5.464 1.00 0.00 H new ATOM 0 HA SER A 64 -1.643 -6.223 -7.552 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.372 -7.636 -8.455 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.206 -5.980 -9.004 1.00 0.00 H new ATOM 0 HG SER A 64 1.775 -6.731 -6.712 1.00 0.00 H new ATOM 952 N ALA A 65 -1.927 -7.992 -5.790 1.00 0.00 N ATOM 953 CA ALA A 65 -2.073 -9.168 -4.883 1.00 0.00 C ATOM 954 C ALA A 65 -2.117 -10.443 -5.729 1.00 0.00 C ATOM 955 O ALA A 65 -2.961 -10.593 -6.592 1.00 0.00 O ATOM 956 CB ALA A 65 -3.369 -9.037 -4.081 1.00 0.00 C ATOM 0 H ALA A 65 -2.805 -7.581 -6.107 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.230 -9.212 -4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.475 -9.896 -3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.339 -8.123 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.217 -8.998 -4.764 1.00 0.00 H new ATOM 962 N SER A 66 -1.208 -11.357 -5.495 1.00 0.00 N ATOM 963 CA SER A 66 -1.190 -12.621 -6.293 1.00 0.00 C ATOM 964 C SER A 66 -1.066 -13.823 -5.352 1.00 0.00 C ATOM 965 O SER A 66 -0.031 -14.047 -4.752 1.00 0.00 O ATOM 966 CB SER A 66 -0.002 -12.590 -7.260 1.00 0.00 C ATOM 967 OG SER A 66 -0.484 -12.640 -8.596 1.00 0.00 O ATOM 0 H SER A 66 -0.478 -11.282 -4.786 1.00 0.00 H new ATOM 0 HA SER A 66 -2.116 -12.710 -6.860 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.584 -11.684 -7.106 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.660 -13.434 -7.068 1.00 0.00 H new ATOM 0 HG SER A 66 0.273 -12.619 -9.218 1.00 0.00 H new ATOM 973 N GLY A 67 -2.113 -14.599 -5.224 1.00 0.00 N ATOM 974 CA GLY A 67 -2.063 -15.792 -4.327 1.00 0.00 C ATOM 975 C GLY A 67 -3.442 -16.451 -4.272 1.00 0.00 C ATOM 976 O GLY A 67 -4.206 -16.395 -5.218 1.00 0.00 O ATOM 0 H GLY A 67 -3.002 -14.457 -5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.323 -16.504 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.751 -15.494 -3.326 1.00 0.00 H new ATOM 980 N ALA A 68 -3.764 -17.078 -3.168 1.00 0.00 N ATOM 981 CA ALA A 68 -5.092 -17.747 -3.037 1.00 0.00 C ATOM 982 C ALA A 68 -6.176 -16.692 -2.815 1.00 0.00 C ATOM 983 O ALA A 68 -7.048 -16.503 -3.642 1.00 0.00 O ATOM 984 CB ALA A 68 -5.064 -18.705 -1.845 1.00 0.00 C ATOM 0 H ALA A 68 -3.161 -17.155 -2.349 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.309 -18.304 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.033 -19.194 -1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.292 -19.458 -2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.847 -18.147 -0.934 1.00 0.00 H new ATOM 990 N ASP A 69 -6.126 -16.007 -1.702 1.00 0.00 N ATOM 991 CA ASP A 69 -7.150 -14.960 -1.413 1.00 0.00 C ATOM 992 C ASP A 69 -6.582 -13.580 -1.762 1.00 0.00 C ATOM 993 O ASP A 69 -6.675 -12.643 -0.992 1.00 0.00 O ATOM 994 CB ASP A 69 -7.521 -15.010 0.073 1.00 0.00 C ATOM 995 CG ASP A 69 -6.253 -14.924 0.926 1.00 0.00 C ATOM 996 OD1 ASP A 69 -5.502 -13.981 0.742 1.00 0.00 O ATOM 997 OD2 ASP A 69 -6.057 -15.803 1.749 1.00 0.00 O ATOM 0 H ASP A 69 -5.417 -16.128 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 69 -8.041 -15.142 -2.013 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.192 -14.187 0.318 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.057 -15.934 0.293 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.989 -13.456 -2.924 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.402 -12.146 -3.342 1.00 0.00 C ATOM 1004 C GLU A 70 -6.486 -11.062 -3.355 1.00 0.00 C ATOM 1005 O GLU A 70 -6.256 -9.943 -2.939 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.798 -12.281 -4.743 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.869 -12.763 -5.726 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.201 -13.501 -6.888 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.299 -12.935 -7.484 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -5.603 -14.619 -7.163 1.00 0.00 O ATOM 0 H GLU A 70 -5.886 -14.210 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.625 -11.862 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.397 -11.322 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.966 -12.985 -4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.573 -13.423 -5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.441 -11.915 -6.101 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.660 -11.383 -3.838 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.759 -10.373 -3.886 1.00 0.00 C ATOM 1019 C ASN A 71 -9.114 -9.924 -2.465 1.00 0.00 C ATOM 1020 O ASN A 71 -9.537 -8.803 -2.246 1.00 0.00 O ATOM 1021 CB ASN A 71 -9.993 -10.992 -4.546 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.863 -10.890 -6.066 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -10.202 -9.880 -6.649 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -9.382 -11.901 -6.736 1.00 0.00 N ATOM 0 H ASN A 71 -7.904 -12.304 -4.202 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.428 -9.511 -4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.093 -12.036 -4.248 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.894 -10.477 -4.212 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.290 -11.843 -7.750 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.098 -12.749 -6.246 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.946 -10.792 -1.500 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.274 -10.423 -0.092 1.00 0.00 C ATOM 1033 C ASP A 72 -8.192 -9.496 0.471 1.00 0.00 C ATOM 1034 O ASP A 72 -8.438 -8.729 1.384 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.353 -11.690 0.761 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.534 -12.543 0.294 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.594 -11.980 0.068 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -10.360 -13.745 0.169 1.00 0.00 O ATOM 0 H ASP A 72 -8.595 -11.741 -1.628 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.234 -9.907 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.425 -12.256 0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.473 -11.427 1.812 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.997 -9.567 -0.056 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.895 -8.701 0.455 1.00 0.00 C ATOM 1045 C ALA A 73 -5.985 -7.290 -0.139 1.00 0.00 C ATOM 1046 O ALA A 73 -5.737 -6.314 0.545 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.550 -9.324 0.078 1.00 0.00 C ATOM 0 H ALA A 73 -6.737 -10.190 -0.821 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.986 -8.626 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.741 -8.695 0.449 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.471 -10.316 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.478 -9.405 -1.007 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.313 -7.167 -1.405 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.386 -5.808 -2.027 1.00 0.00 C ATOM 1055 C LEU A 74 -7.513 -4.987 -1.390 1.00 0.00 C ATOM 1056 O LEU A 74 -7.343 -3.813 -1.114 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.589 -5.925 -3.550 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.966 -6.511 -3.885 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -9.013 -5.388 -3.952 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.891 -7.219 -5.242 1.00 0.00 C ATOM 0 H LEU A 74 -6.532 -7.944 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.444 -5.291 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.488 -4.942 -4.009 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.809 -6.557 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.256 -7.221 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.988 -5.813 -4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.064 -4.880 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.730 -4.673 -4.724 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.866 -7.639 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.600 -6.503 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.153 -8.020 -5.194 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.657 -5.584 -1.157 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.780 -4.814 -0.540 1.00 0.00 C ATOM 1074 C ASN A 75 -9.459 -4.550 0.935 1.00 0.00 C ATOM 1075 O ASN A 75 -9.894 -3.568 1.505 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.101 -5.590 -0.676 1.00 0.00 C ATOM 1077 CG ASN A 75 -11.038 -6.904 0.108 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -10.151 -7.701 -0.097 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -11.955 -7.161 0.999 1.00 0.00 N ATOM 0 H ASN A 75 -8.860 -6.562 -1.365 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.894 -3.862 -1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.927 -4.980 -0.309 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.301 -5.797 -1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.925 -8.035 1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.702 -6.488 1.171 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.692 -5.418 1.554 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.330 -5.217 2.990 1.00 0.00 C ATOM 1088 C ALA A 76 -7.559 -3.904 3.145 1.00 0.00 C ATOM 1089 O ALA A 76 -8.012 -2.983 3.796 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.449 -6.376 3.460 1.00 0.00 C ATOM 0 H ALA A 76 -8.302 -6.257 1.124 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.239 -5.180 3.590 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.184 -6.230 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.993 -7.314 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.541 -6.410 2.858 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.396 -3.812 2.552 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.589 -2.560 2.663 1.00 0.00 C ATOM 1098 C LEU A 77 -6.373 -1.380 2.073 1.00 0.00 C ATOM 1099 O LEU A 77 -6.157 -0.241 2.440 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.274 -2.729 1.898 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.571 -4.022 2.351 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.427 -4.979 1.164 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.182 -3.688 2.905 1.00 0.00 C ATOM 0 H LEU A 77 -5.970 -4.552 1.994 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.378 -2.363 3.714 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.468 -2.766 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.626 -1.870 2.075 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.169 -4.498 3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.929 -5.892 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.414 -5.225 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.835 -4.503 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.688 -4.605 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.587 -3.206 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.282 -3.014 3.756 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.278 -1.645 1.161 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.074 -0.542 0.544 1.00 0.00 C ATOM 1117 C GLU A 78 -8.872 0.201 1.623 1.00 0.00 C ATOM 1118 O GLU A 78 -8.772 1.407 1.749 1.00 0.00 O ATOM 1119 CB GLU A 78 -9.032 -1.128 -0.502 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.802 0.002 -1.202 1.00 0.00 C ATOM 1121 CD GLU A 78 -11.236 0.061 -0.669 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -11.403 -0.036 0.536 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -12.142 0.202 -1.474 1.00 0.00 O ATOM 0 H GLU A 78 -7.498 -2.580 0.818 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.396 0.163 0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.472 -1.706 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.731 -1.813 -0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.302 0.955 -1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.811 -0.165 -2.279 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.665 -0.503 2.401 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.466 0.180 3.464 1.00 0.00 C ATOM 1132 C GLU A 79 -9.519 0.854 4.467 1.00 0.00 C ATOM 1133 O GLU A 79 -9.858 1.848 5.080 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.379 -0.836 4.178 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.551 -1.835 5.003 1.00 0.00 C ATOM 1136 CD GLU A 79 -10.967 -3.271 4.669 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -11.335 -3.513 3.531 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -10.908 -4.105 5.558 1.00 0.00 O ATOM 0 H GLU A 79 -9.790 -1.514 2.344 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.097 0.942 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.075 -0.309 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -11.977 -1.374 3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -9.490 -1.698 4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -10.694 -1.646 6.067 1.00 0.00 H new ATOM 1145 N THR A 80 -8.332 0.321 4.628 1.00 0.00 N ATOM 1146 CA THR A 80 -7.356 0.929 5.581 1.00 0.00 C ATOM 1147 C THR A 80 -6.945 2.308 5.061 1.00 0.00 C ATOM 1148 O THR A 80 -6.733 3.231 5.824 1.00 0.00 O ATOM 1149 CB THR A 80 -6.118 0.032 5.684 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.514 -1.330 5.613 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.406 0.290 7.013 1.00 0.00 C ATOM 0 H THR A 80 -7.998 -0.510 4.139 1.00 0.00 H new ATOM 0 HA THR A 80 -7.813 1.028 6.565 1.00 0.00 H new ATOM 0 HB THR A 80 -5.438 0.256 4.862 1.00 0.00 H new ATOM 0 HG1 THR A 80 -5.752 -1.904 5.835 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.526 -0.349 7.084 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.101 1.335 7.065 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.083 0.068 7.838 1.00 0.00 H new ATOM 1159 N MET A 81 -6.837 2.447 3.764 1.00 0.00 N ATOM 1160 CA MET A 81 -6.446 3.759 3.173 1.00 0.00 C ATOM 1161 C MET A 81 -7.600 4.754 3.325 1.00 0.00 C ATOM 1162 O MET A 81 -7.392 5.949 3.406 1.00 0.00 O ATOM 1163 CB MET A 81 -6.126 3.568 1.685 1.00 0.00 C ATOM 1164 CG MET A 81 -4.614 3.357 1.496 1.00 0.00 C ATOM 1165 SD MET A 81 -3.931 4.636 0.407 1.00 0.00 S ATOM 1166 CE MET A 81 -2.646 3.618 -0.361 1.00 0.00 C ATOM 0 H MET A 81 -7.004 1.703 3.087 1.00 0.00 H new ATOM 0 HA MET A 81 -5.567 4.145 3.690 1.00 0.00 H new ATOM 0 HB2 MET A 81 -6.673 2.710 1.294 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.454 4.440 1.119 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.112 3.387 2.463 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.428 2.371 1.071 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.856 4.261 -0.749 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.229 2.938 0.381 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.079 3.042 -1.179 1.00 0.00 H new ATOM 1176 N LYS A 82 -8.816 4.268 3.360 1.00 0.00 N ATOM 1177 CA LYS A 82 -9.991 5.178 3.502 1.00 0.00 C ATOM 1178 C LYS A 82 -10.174 5.575 4.973 1.00 0.00 C ATOM 1179 O LYS A 82 -10.739 6.609 5.274 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.251 4.459 3.013 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.245 4.399 1.485 1.00 0.00 C ATOM 1182 CD LYS A 82 -11.899 3.095 1.020 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.699 3.349 -0.259 1.00 0.00 C ATOM 1184 NZ LYS A 82 -11.770 3.402 -1.423 1.00 0.00 N ATOM 0 H LYS A 82 -9.045 3.276 3.296 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.821 6.075 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.291 3.451 3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.140 4.983 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.783 5.254 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.222 4.458 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.136 2.338 0.839 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.554 2.707 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.435 2.558 -0.403 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.250 4.286 -0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.151 4.050 -2.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.839 3.743 -1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.671 2.451 -1.832 1.00 0.00 H new ATOM 1198 N SER A 83 -9.707 4.760 5.886 1.00 0.00 N ATOM 1199 CA SER A 83 -9.860 5.085 7.335 1.00 0.00 C ATOM 1200 C SER A 83 -8.767 6.066 7.764 1.00 0.00 C ATOM 1201 O SER A 83 -9.046 7.182 8.161 1.00 0.00 O ATOM 1202 CB SER A 83 -9.744 3.802 8.160 1.00 0.00 C ATOM 1203 OG SER A 83 -8.722 2.981 7.610 1.00 0.00 O ATOM 0 H SER A 83 -9.226 3.883 5.689 1.00 0.00 H new ATOM 0 HA SER A 83 -10.837 5.539 7.500 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.514 4.043 9.198 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.695 3.269 8.160 1.00 0.00 H new ATOM 0 HG SER A 83 -8.534 2.239 8.222 1.00 0.00 H new ATOM 1209 N GLU A 84 -7.526 5.656 7.688 1.00 0.00 N ATOM 1210 CA GLU A 84 -6.406 6.558 8.093 1.00 0.00 C ATOM 1211 C GLU A 84 -6.404 7.809 7.209 1.00 0.00 C ATOM 1212 O GLU A 84 -5.988 8.873 7.629 1.00 0.00 O ATOM 1213 CB GLU A 84 -5.074 5.822 7.935 1.00 0.00 C ATOM 1214 CG GLU A 84 -5.087 4.553 8.790 1.00 0.00 C ATOM 1215 CD GLU A 84 -4.466 4.851 10.156 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -3.258 5.015 10.213 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -5.208 4.908 11.123 1.00 0.00 O ATOM 0 H GLU A 84 -7.240 4.733 7.362 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.540 6.851 9.134 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.910 5.566 6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.251 6.469 8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.109 4.196 8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.530 3.760 8.291 1.00 0.00 H new ATOM 1224 N GLY A 85 -6.869 7.687 5.992 1.00 0.00 N ATOM 1225 CA GLY A 85 -6.898 8.864 5.075 1.00 0.00 C ATOM 1226 C GLY A 85 -5.577 8.945 4.308 1.00 0.00 C ATOM 1227 O GLY A 85 -5.035 10.014 4.102 1.00 0.00 O ATOM 0 H GLY A 85 -7.231 6.820 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.731 8.775 4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.056 9.779 5.645 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.059 7.821 3.886 1.00 0.00 N ATOM 1232 CA LEU A 86 -3.772 7.816 3.133 1.00 0.00 C ATOM 1233 C LEU A 86 -4.037 8.150 1.663 1.00 0.00 C ATOM 1234 O LEU A 86 -3.237 8.795 1.011 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.129 6.434 3.232 1.00 0.00 C ATOM 1236 CG LEU A 86 -2.774 6.142 4.691 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.251 4.712 4.806 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -1.692 7.117 5.161 1.00 0.00 C ATOM 0 H LEU A 86 -5.476 6.901 4.032 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.101 8.561 3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.813 5.675 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.233 6.393 2.613 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.662 6.260 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.997 4.500 5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.020 4.015 4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.363 4.598 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.440 6.908 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.803 7.000 4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.061 8.139 5.076 1.00 0.00 H new ATOM 1250 N GLY A 87 -5.156 7.715 1.139 1.00 0.00 N ATOM 1251 CA GLY A 87 -5.481 8.003 -0.289 1.00 0.00 C ATOM 1252 C GLY A 87 -6.690 7.168 -0.719 1.00 0.00 C ATOM 1253 O GLY A 87 -7.243 6.416 0.062 1.00 0.00 O ATOM 0 H GLY A 87 -5.859 7.172 1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.695 9.064 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.624 7.772 -0.921 1.00 0.00 H new ATOM 1257 N GLU A 88 -7.100 7.295 -1.956 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.271 6.513 -2.446 1.00 0.00 C ATOM 1259 C GLU A 88 -7.993 6.011 -3.864 1.00 0.00 C ATOM 1260 O GLU A 88 -7.255 6.676 -4.573 1.00 0.00 O ATOM 1261 CB GLU A 88 -9.513 7.406 -2.457 1.00 0.00 C ATOM 1262 CG GLU A 88 -9.224 8.677 -3.258 1.00 0.00 C ATOM 1263 CD GLU A 88 -8.678 9.757 -2.322 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -9.186 9.868 -1.218 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -7.761 10.454 -2.726 1.00 0.00 O ATOM 1266 OXT GLU A 88 -8.521 4.969 -4.218 1.00 0.00 O ATOM 0 H GLU A 88 -6.671 7.909 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.440 5.662 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.354 6.870 -2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.797 7.664 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.502 8.466 -4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -10.134 9.028 -3.744 1.00 0.00 H new