USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 583 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 66 SER OG : rot 59:sc= 0.591 USER MOD Set 1.2: A 70 MET CE :methyl -142:sc= -0.602 (180deg=-1.83!) USER MOD Set 2.1: A 30 ASN : amide:sc= -1.67 K(o=-1.7,f=0.24) USER MOD Set 2.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= -8.45! (180deg=-8.83!) USER MOD Single : A 3 GLN : amide:sc= -1.87! C(o=-1.9!,f=-7.5!) USER MOD Single : A 4 LYS NZ :NH3+ 151:sc= -0.593 (180deg=-2.43!) USER MOD Single : A 5 LYS NZ :NH3+ -138:sc= -0.344 (180deg=-0.896) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.364 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.23) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 103:sc= 0.0213 USER MOD Single : A 27 CYS SG : rot 85:sc= -0.11 USER MOD Single : A 29 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.1) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 65:sc= 1.15 USER MOD Single : A 49 LYS NZ :NH3+ 164:sc=-0.00793 (180deg=-0.184) USER MOD Single : A 52 THR OG1 : rot 19:sc= -0.733! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.209 K(o=-0.21,f=-2.5!) USER MOD Single : A 67 HIS : no HD1:sc= -0.612 K(o=-0.61,f=-1.2) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.738 K(o=-0.74,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 55.169 -9.830 -9.785 1.00 0.00 N ATOM 2 CA MET A 1 55.842 -9.518 -8.494 1.00 0.00 C ATOM 3 C MET A 1 55.293 -8.226 -7.915 1.00 0.00 C ATOM 4 O MET A 1 55.995 -7.249 -7.799 1.00 0.00 O ATOM 5 CB MET A 1 57.339 -9.353 -8.716 1.00 0.00 C ATOM 6 CG MET A 1 58.016 -10.725 -8.697 1.00 0.00 C ATOM 7 SD MET A 1 57.878 -11.488 -10.332 1.00 0.00 S ATOM 8 CE MET A 1 58.298 -13.177 -9.831 1.00 0.00 C ATOM 0 H1 MET A 1 55.516 -10.741 -10.146 1.00 0.00 H new ATOM 0 H2 MET A 1 54.141 -9.885 -9.636 1.00 0.00 H new ATOM 0 H3 MET A 1 55.379 -9.081 -10.476 1.00 0.00 H new ATOM 0 HA MET A 1 55.656 -10.339 -7.802 1.00 0.00 H new ATOM 0 HB2 MET A 1 57.523 -8.859 -9.670 1.00 0.00 H new ATOM 0 HB3 MET A 1 57.764 -8.716 -7.940 1.00 0.00 H new ATOM 0 HG2 MET A 1 59.065 -10.621 -8.420 1.00 0.00 H new ATOM 0 HG3 MET A 1 57.549 -11.362 -7.946 1.00 0.00 H new ATOM 0 HE1 MET A 1 58.273 -13.832 -10.702 1.00 0.00 H new ATOM 0 HE2 MET A 1 59.297 -13.190 -9.396 1.00 0.00 H new ATOM 0 HE3 MET A 1 57.577 -13.528 -9.093 1.00 0.00 H new ATOM 18 N LEU A 2 54.056 -8.216 -7.509 1.00 0.00 N ATOM 19 CA LEU A 2 53.486 -6.980 -6.908 1.00 0.00 C ATOM 20 C LEU A 2 54.076 -6.777 -5.510 1.00 0.00 C ATOM 21 O LEU A 2 53.637 -5.924 -4.765 1.00 0.00 O ATOM 22 CB LEU A 2 51.967 -7.127 -6.784 1.00 0.00 C ATOM 23 CG LEU A 2 51.341 -5.760 -6.511 1.00 0.00 C ATOM 24 CD1 LEU A 2 51.208 -4.989 -7.825 1.00 0.00 C ATOM 25 CD2 LEU A 2 49.956 -5.950 -5.887 1.00 0.00 C ATOM 0 H LEU A 2 53.416 -9.008 -7.567 1.00 0.00 H new ATOM 0 HA LEU A 2 53.726 -6.127 -7.542 1.00 0.00 H new ATOM 0 HB2 LEU A 2 51.556 -7.550 -7.701 1.00 0.00 H new ATOM 0 HB3 LEU A 2 51.723 -7.818 -5.977 1.00 0.00 H new ATOM 0 HG LEU A 2 51.975 -5.199 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 2 50.761 -4.014 -7.631 1.00 0.00 H new ATOM 0 HD12 LEU A 2 52.194 -4.855 -8.269 1.00 0.00 H new ATOM 0 HD13 LEU A 2 50.573 -5.548 -8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 2 49.508 -4.976 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 2 49.321 -6.510 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 2 50.051 -6.500 -4.951 1.00 0.00 H new ATOM 37 N GLN A 3 55.062 -7.558 -5.146 1.00 0.00 N ATOM 38 CA GLN A 3 55.663 -7.415 -3.789 1.00 0.00 C ATOM 39 C GLN A 3 56.731 -8.495 -3.586 1.00 0.00 C ATOM 40 O GLN A 3 56.646 -9.294 -2.678 1.00 0.00 O ATOM 41 CB GLN A 3 54.567 -7.582 -2.733 1.00 0.00 C ATOM 42 CG GLN A 3 54.100 -9.038 -2.705 1.00 0.00 C ATOM 43 CD GLN A 3 52.610 -9.103 -3.048 1.00 0.00 C ATOM 44 OE1 GLN A 3 52.194 -8.643 -4.094 1.00 0.00 O ATOM 45 NE2 GLN A 3 51.783 -9.660 -2.206 1.00 0.00 N ATOM 0 H GLN A 3 55.474 -8.286 -5.729 1.00 0.00 H new ATOM 0 HA GLN A 3 56.120 -6.430 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 3 54.945 -7.292 -1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 3 53.727 -6.924 -2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 3 54.674 -9.629 -3.418 1.00 0.00 H new ATOM 0 HG3 GLN A 3 54.276 -9.469 -1.719 1.00 0.00 H new ATOM 0 HE21 GLN A 3 52.132 -10.046 -1.329 1.00 0.00 H new ATOM 0 HE22 GLN A 3 50.788 -9.709 -2.425 1.00 0.00 H new ATOM 54 N LYS A 4 57.725 -8.544 -4.424 1.00 0.00 N ATOM 55 CA LYS A 4 58.771 -9.593 -4.265 1.00 0.00 C ATOM 56 C LYS A 4 59.992 -9.021 -3.537 1.00 0.00 C ATOM 57 O LYS A 4 60.444 -9.566 -2.550 1.00 0.00 O ATOM 58 CB LYS A 4 59.195 -10.101 -5.645 1.00 0.00 C ATOM 59 CG LYS A 4 59.166 -11.631 -5.657 1.00 0.00 C ATOM 60 CD LYS A 4 60.327 -12.174 -4.820 1.00 0.00 C ATOM 61 CE LYS A 4 59.847 -12.446 -3.394 1.00 0.00 C ATOM 62 NZ LYS A 4 58.581 -13.233 -3.434 1.00 0.00 N ATOM 0 H LYS A 4 57.860 -7.907 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 4 58.361 -10.414 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.526 -9.708 -6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 4 60.197 -9.744 -5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 4 58.218 -11.990 -5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 4 59.240 -11.998 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 4 60.713 -13.091 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 4 61.147 -11.456 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 4 60.610 -12.994 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 4 59.686 -11.505 -2.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 58.510 -13.821 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 57.770 -12.584 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 58.579 -13.844 -4.275 1.00 0.00 H new ATOM 76 N LYS A 5 60.539 -7.938 -4.018 1.00 0.00 N ATOM 77 CA LYS A 5 61.733 -7.356 -3.356 1.00 0.00 C ATOM 78 C LYS A 5 61.295 -6.523 -2.150 1.00 0.00 C ATOM 79 O LYS A 5 62.079 -6.210 -1.276 1.00 0.00 O ATOM 80 CB LYS A 5 62.483 -6.485 -4.380 1.00 0.00 C ATOM 81 CG LYS A 5 62.151 -5.004 -4.187 1.00 0.00 C ATOM 82 CD LYS A 5 63.009 -4.160 -5.132 1.00 0.00 C ATOM 83 CE LYS A 5 64.474 -4.581 -5.007 1.00 0.00 C ATOM 84 NZ LYS A 5 64.820 -5.513 -6.118 1.00 0.00 N ATOM 0 H LYS A 5 60.208 -7.434 -4.841 1.00 0.00 H new ATOM 0 HA LYS A 5 62.396 -8.145 -3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 5 63.557 -6.637 -4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 5 62.215 -6.793 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 5 61.094 -4.829 -4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 5 62.334 -4.711 -3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 5 62.670 -4.288 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS A 5 62.902 -3.103 -4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 5 65.120 -3.703 -5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 5 64.643 -5.066 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 65.403 -6.292 -5.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 63.947 -5.899 -6.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 65.352 -4.999 -6.849 1.00 0.00 H new ATOM 98 N ILE A 6 60.055 -6.144 -2.117 1.00 0.00 N ATOM 99 CA ILE A 6 59.558 -5.310 -0.992 1.00 0.00 C ATOM 100 C ILE A 6 58.875 -6.198 0.046 1.00 0.00 C ATOM 101 O ILE A 6 58.932 -5.935 1.230 1.00 0.00 O ATOM 102 CB ILE A 6 58.571 -4.290 -1.541 1.00 0.00 C ATOM 103 CG1 ILE A 6 59.088 -3.772 -2.894 1.00 0.00 C ATOM 104 CG2 ILE A 6 58.429 -3.132 -0.551 1.00 0.00 C ATOM 105 CD1 ILE A 6 60.154 -2.694 -2.672 1.00 0.00 C ATOM 0 H ILE A 6 59.358 -6.376 -2.824 1.00 0.00 H new ATOM 0 HA ILE A 6 60.390 -4.794 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 6 57.594 -4.753 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 6 59.507 -4.596 -3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 6 58.262 -3.363 -3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 6 57.722 -2.402 -0.944 1.00 0.00 H new ATOM 0 HG22 ILE A 6 58.065 -3.512 0.403 1.00 0.00 H new ATOM 0 HG23 ILE A 6 59.399 -2.656 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 6 60.514 -2.334 -3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 6 59.721 -1.864 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 6 60.986 -3.116 -2.109 1.00 0.00 H new ATOM 117 N GLU A 7 58.249 -7.259 -0.380 1.00 0.00 N ATOM 118 CA GLU A 7 57.594 -8.167 0.600 1.00 0.00 C ATOM 119 C GLU A 7 58.691 -8.971 1.283 1.00 0.00 C ATOM 120 O GLU A 7 58.546 -9.433 2.398 1.00 0.00 O ATOM 121 CB GLU A 7 56.642 -9.114 -0.128 1.00 0.00 C ATOM 122 CG GLU A 7 55.823 -9.902 0.895 1.00 0.00 C ATOM 123 CD GLU A 7 54.432 -9.281 1.026 1.00 0.00 C ATOM 124 OE1 GLU A 7 54.094 -8.452 0.197 1.00 0.00 O ATOM 125 OE2 GLU A 7 53.728 -9.643 1.955 1.00 0.00 O ATOM 0 H GLU A 7 58.163 -7.535 -1.358 1.00 0.00 H new ATOM 0 HA GLU A 7 57.022 -7.595 1.330 1.00 0.00 H new ATOM 0 HB2 GLU A 7 55.979 -8.548 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 7 57.207 -9.798 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 7 55.740 -10.944 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 7 56.327 -9.897 1.861 1.00 0.00 H new ATOM 132 N GLU A 8 59.798 -9.127 0.613 1.00 0.00 N ATOM 133 CA GLU A 8 60.931 -9.886 1.198 1.00 0.00 C ATOM 134 C GLU A 8 61.609 -9.022 2.263 1.00 0.00 C ATOM 135 O GLU A 8 61.909 -9.475 3.352 1.00 0.00 O ATOM 136 CB GLU A 8 61.935 -10.221 0.092 1.00 0.00 C ATOM 137 CG GLU A 8 62.662 -8.945 -0.341 1.00 0.00 C ATOM 138 CD GLU A 8 63.667 -9.279 -1.445 1.00 0.00 C ATOM 139 OE1 GLU A 8 63.818 -10.451 -1.747 1.00 0.00 O ATOM 140 OE2 GLU A 8 64.267 -8.357 -1.970 1.00 0.00 O ATOM 0 H GLU A 8 59.965 -8.757 -0.323 1.00 0.00 H new ATOM 0 HA GLU A 8 60.570 -10.809 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 8 62.654 -10.958 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 8 61.420 -10.665 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 8 61.943 -8.208 -0.700 1.00 0.00 H new ATOM 0 HG3 GLU A 8 63.176 -8.500 0.511 1.00 0.00 H new ATOM 147 N ILE A 9 61.846 -7.773 1.959 1.00 0.00 N ATOM 148 CA ILE A 9 62.498 -6.878 2.947 1.00 0.00 C ATOM 149 C ILE A 9 61.511 -6.624 4.087 1.00 0.00 C ATOM 150 O ILE A 9 61.881 -6.478 5.234 1.00 0.00 O ATOM 151 CB ILE A 9 62.890 -5.563 2.254 1.00 0.00 C ATOM 152 CG1 ILE A 9 64.027 -4.890 3.029 1.00 0.00 C ATOM 153 CG2 ILE A 9 61.688 -4.621 2.189 1.00 0.00 C ATOM 154 CD1 ILE A 9 63.659 -4.796 4.510 1.00 0.00 C ATOM 0 H ILE A 9 61.614 -7.338 1.066 1.00 0.00 H new ATOM 0 HA ILE A 9 63.402 -7.334 3.351 1.00 0.00 H new ATOM 0 HB ILE A 9 63.222 -5.785 1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 9 64.948 -5.460 2.909 1.00 0.00 H new ATOM 0 HG13 ILE A 9 64.214 -3.894 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 9 61.979 -3.693 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 9 60.884 -5.095 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 9 61.342 -4.402 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 9 64.471 -4.317 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 9 62.749 -4.207 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 9 63.495 -5.797 4.908 1.00 0.00 H new ATOM 166 N ALA A 10 60.250 -6.598 3.771 1.00 0.00 N ATOM 167 CA ALA A 10 59.221 -6.379 4.820 1.00 0.00 C ATOM 168 C ALA A 10 59.223 -7.576 5.765 1.00 0.00 C ATOM 169 O ALA A 10 59.212 -7.434 6.971 1.00 0.00 O ATOM 170 CB ALA A 10 57.851 -6.265 4.164 1.00 0.00 C ATOM 0 H ALA A 10 59.886 -6.720 2.826 1.00 0.00 H new ATOM 0 HA ALA A 10 59.440 -5.465 5.371 1.00 0.00 H new ATOM 0 HB1 ALA A 10 57.093 -6.104 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 10 57.849 -5.425 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 10 57.630 -7.184 3.622 1.00 0.00 H new ATOM 176 N ALA A 11 59.237 -8.758 5.217 1.00 0.00 N ATOM 177 CA ALA A 11 59.240 -9.973 6.070 1.00 0.00 C ATOM 178 C ALA A 11 60.566 -10.062 6.817 1.00 0.00 C ATOM 179 O ALA A 11 60.636 -10.599 7.904 1.00 0.00 O ATOM 180 CB ALA A 11 59.066 -11.216 5.199 1.00 0.00 C ATOM 0 H ALA A 11 59.247 -8.933 4.212 1.00 0.00 H new ATOM 0 HA ALA A 11 58.418 -9.915 6.784 1.00 0.00 H new ATOM 0 HB1 ALA A 11 59.069 -12.105 5.829 1.00 0.00 H new ATOM 0 HB2 ALA A 11 58.119 -11.155 4.662 1.00 0.00 H new ATOM 0 HB3 ALA A 11 59.886 -11.276 4.483 1.00 0.00 H new ATOM 186 N LYS A 12 61.627 -9.544 6.253 1.00 0.00 N ATOM 187 CA LYS A 12 62.931 -9.624 6.975 1.00 0.00 C ATOM 188 C LYS A 12 63.057 -8.450 7.950 1.00 0.00 C ATOM 189 O LYS A 12 64.087 -7.818 8.056 1.00 0.00 O ATOM 190 CB LYS A 12 64.097 -9.625 5.974 1.00 0.00 C ATOM 191 CG LYS A 12 64.434 -8.196 5.544 1.00 0.00 C ATOM 192 CD LYS A 12 65.775 -7.776 6.152 1.00 0.00 C ATOM 193 CE LYS A 12 66.915 -8.198 5.222 1.00 0.00 C ATOM 194 NZ LYS A 12 67.948 -7.124 5.184 1.00 0.00 N ATOM 0 H LYS A 12 61.649 -9.080 5.345 1.00 0.00 H new ATOM 0 HA LYS A 12 62.968 -10.555 7.541 1.00 0.00 H new ATOM 0 HB2 LYS A 12 64.972 -10.091 6.426 1.00 0.00 H new ATOM 0 HB3 LYS A 12 63.834 -10.222 5.101 1.00 0.00 H new ATOM 0 HG2 LYS A 12 64.482 -8.135 4.457 1.00 0.00 H new ATOM 0 HG3 LYS A 12 63.648 -7.514 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 12 65.795 -6.697 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 12 65.902 -8.237 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 12 67.357 -9.131 5.572 1.00 0.00 H new ATOM 0 HE3 LYS A 12 66.531 -8.384 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 68.723 -7.410 4.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 67.521 -6.244 4.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 68.322 -6.968 6.142 1.00 0.00 H new ATOM 208 N TYR A 13 62.015 -8.164 8.677 1.00 0.00 N ATOM 209 CA TYR A 13 62.075 -7.044 9.651 1.00 0.00 C ATOM 210 C TYR A 13 61.997 -7.606 11.070 1.00 0.00 C ATOM 211 O TYR A 13 61.234 -8.509 11.351 1.00 0.00 O ATOM 212 CB TYR A 13 60.907 -6.090 9.410 1.00 0.00 C ATOM 213 CG TYR A 13 61.314 -5.063 8.384 1.00 0.00 C ATOM 214 CD1 TYR A 13 62.552 -4.417 8.491 1.00 0.00 C ATOM 215 CD2 TYR A 13 60.456 -4.759 7.323 1.00 0.00 C ATOM 216 CE1 TYR A 13 62.931 -3.465 7.536 1.00 0.00 C ATOM 217 CE2 TYR A 13 60.834 -3.809 6.367 1.00 0.00 C ATOM 218 CZ TYR A 13 62.071 -3.163 6.474 1.00 0.00 C ATOM 219 OH TYR A 13 62.443 -2.226 5.531 1.00 0.00 O ATOM 0 H TYR A 13 61.124 -8.659 8.638 1.00 0.00 H new ATOM 0 HA TYR A 13 63.011 -6.500 9.525 1.00 0.00 H new ATOM 0 HB2 TYR A 13 60.035 -6.644 9.063 1.00 0.00 H new ATOM 0 HB3 TYR A 13 60.623 -5.600 10.341 1.00 0.00 H new ATOM 0 HD1 TYR A 13 63.215 -4.653 9.310 1.00 0.00 H new ATOM 0 HD2 TYR A 13 59.501 -5.257 7.241 1.00 0.00 H new ATOM 0 HE1 TYR A 13 63.885 -2.965 7.619 1.00 0.00 H new ATOM 0 HE2 TYR A 13 60.171 -3.575 5.547 1.00 0.00 H new ATOM 0 HH TYR A 13 61.733 -2.136 4.862 1.00 0.00 H new ATOM 229 N LYS A 14 62.783 -7.078 11.964 1.00 0.00 N ATOM 230 CA LYS A 14 62.761 -7.575 13.368 1.00 0.00 C ATOM 231 C LYS A 14 61.645 -6.866 14.138 1.00 0.00 C ATOM 232 O LYS A 14 61.835 -6.414 15.250 1.00 0.00 O ATOM 233 CB LYS A 14 64.107 -7.282 14.033 1.00 0.00 C ATOM 234 CG LYS A 14 64.392 -8.339 15.101 1.00 0.00 C ATOM 235 CD LYS A 14 64.755 -9.663 14.425 1.00 0.00 C ATOM 236 CE LYS A 14 64.169 -10.825 15.230 1.00 0.00 C ATOM 237 NZ LYS A 14 64.700 -12.112 14.700 1.00 0.00 N ATOM 0 H LYS A 14 63.442 -6.321 11.783 1.00 0.00 H new ATOM 0 HA LYS A 14 62.581 -8.650 13.373 1.00 0.00 H new ATOM 0 HB2 LYS A 14 64.901 -7.282 13.286 1.00 0.00 H new ATOM 0 HB3 LYS A 14 64.093 -6.290 14.484 1.00 0.00 H new ATOM 0 HG2 LYS A 14 65.209 -8.011 15.744 1.00 0.00 H new ATOM 0 HG3 LYS A 14 63.518 -8.472 15.739 1.00 0.00 H new ATOM 0 HD2 LYS A 14 64.368 -9.681 13.406 1.00 0.00 H new ATOM 0 HD3 LYS A 14 65.838 -9.764 14.357 1.00 0.00 H new ATOM 0 HE2 LYS A 14 64.427 -10.719 16.284 1.00 0.00 H new ATOM 0 HE3 LYS A 14 63.081 -10.814 15.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 64.303 -12.903 15.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 64.432 -12.213 13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 65.737 -12.120 14.783 1.00 0.00 H new ATOM 251 N HIS A 15 60.482 -6.767 13.555 1.00 0.00 N ATOM 252 CA HIS A 15 59.354 -6.087 14.249 1.00 0.00 C ATOM 253 C HIS A 15 58.093 -6.188 13.389 1.00 0.00 C ATOM 254 O HIS A 15 58.006 -5.611 12.327 1.00 0.00 O ATOM 255 CB HIS A 15 59.703 -4.613 14.468 1.00 0.00 C ATOM 256 CG HIS A 15 59.724 -4.309 15.940 1.00 0.00 C ATOM 257 ND1 HIS A 15 60.480 -3.275 16.469 1.00 0.00 N ATOM 258 CD2 HIS A 15 59.088 -4.894 17.007 1.00 0.00 C ATOM 259 CE1 HIS A 15 60.282 -3.268 17.799 1.00 0.00 C ATOM 260 NE2 HIS A 15 59.443 -4.234 18.180 1.00 0.00 N ATOM 0 H HIS A 15 60.265 -7.129 12.626 1.00 0.00 H new ATOM 0 HA HIS A 15 59.178 -6.566 15.212 1.00 0.00 H new ATOM 0 HB2 HIS A 15 60.675 -4.390 14.027 1.00 0.00 H new ATOM 0 HB3 HIS A 15 58.973 -3.978 13.966 1.00 0.00 H new ATOM 0 HD2 HIS A 15 58.416 -5.737 16.946 1.00 0.00 H new ATOM 0 HE1 HIS A 15 60.745 -2.566 18.477 1.00 0.00 H new ATOM 0 HE2 HIS A 15 59.129 -4.444 19.128 1.00 0.00 H new ATOM 268 N SER A 16 57.124 -6.936 13.833 1.00 0.00 N ATOM 269 CA SER A 16 55.866 -7.091 13.038 1.00 0.00 C ATOM 270 C SER A 16 55.365 -5.735 12.491 1.00 0.00 C ATOM 271 O SER A 16 54.904 -5.654 11.371 1.00 0.00 O ATOM 272 CB SER A 16 54.785 -7.700 13.930 1.00 0.00 C ATOM 273 OG SER A 16 54.947 -9.111 13.969 1.00 0.00 O ATOM 0 H SER A 16 57.145 -7.450 14.714 1.00 0.00 H new ATOM 0 HA SER A 16 56.079 -7.741 12.189 1.00 0.00 H new ATOM 0 HB2 SER A 16 54.853 -7.287 14.936 1.00 0.00 H new ATOM 0 HB3 SER A 16 53.796 -7.447 13.547 1.00 0.00 H new ATOM 0 HG SER A 16 54.256 -9.504 14.542 1.00 0.00 H new ATOM 279 N VAL A 17 55.417 -4.679 13.267 1.00 0.00 N ATOM 280 CA VAL A 17 54.909 -3.361 12.781 1.00 0.00 C ATOM 281 C VAL A 17 55.731 -2.864 11.588 1.00 0.00 C ATOM 282 O VAL A 17 55.211 -2.221 10.698 1.00 0.00 O ATOM 283 CB VAL A 17 54.999 -2.338 13.916 1.00 0.00 C ATOM 284 CG1 VAL A 17 54.466 -0.989 13.431 1.00 0.00 C ATOM 285 CG2 VAL A 17 54.160 -2.819 15.102 1.00 0.00 C ATOM 0 H VAL A 17 55.790 -4.675 14.216 1.00 0.00 H new ATOM 0 HA VAL A 17 53.874 -3.483 12.462 1.00 0.00 H new ATOM 0 HB VAL A 17 56.039 -2.229 14.225 1.00 0.00 H new ATOM 0 HG11 VAL A 17 54.530 -0.261 14.239 1.00 0.00 H new ATOM 0 HG12 VAL A 17 55.061 -0.646 12.585 1.00 0.00 H new ATOM 0 HG13 VAL A 17 53.426 -1.098 13.123 1.00 0.00 H new ATOM 0 HG21 VAL A 17 54.223 -2.091 15.911 1.00 0.00 H new ATOM 0 HG22 VAL A 17 53.121 -2.928 14.792 1.00 0.00 H new ATOM 0 HG23 VAL A 17 54.538 -3.781 15.449 1.00 0.00 H new ATOM 295 N VAL A 18 57.002 -3.146 11.555 1.00 0.00 N ATOM 296 CA VAL A 18 57.828 -2.676 10.410 1.00 0.00 C ATOM 297 C VAL A 18 57.229 -3.226 9.120 1.00 0.00 C ATOM 298 O VAL A 18 57.487 -2.730 8.040 1.00 0.00 O ATOM 299 CB VAL A 18 59.261 -3.193 10.556 1.00 0.00 C ATOM 300 CG1 VAL A 18 60.192 -2.394 9.659 1.00 0.00 C ATOM 301 CG2 VAL A 18 59.736 -3.040 11.995 1.00 0.00 C ATOM 0 H VAL A 18 57.503 -3.678 12.267 1.00 0.00 H new ATOM 0 HA VAL A 18 57.840 -1.586 10.390 1.00 0.00 H new ATOM 0 HB VAL A 18 59.274 -4.246 10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 18 61.210 -2.767 9.768 1.00 0.00 H new ATOM 0 HG12 VAL A 18 59.876 -2.499 8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 18 60.158 -1.343 9.944 1.00 0.00 H new ATOM 0 HG21 VAL A 18 60.757 -3.412 12.083 1.00 0.00 H new ATOM 0 HG22 VAL A 18 59.708 -1.988 12.278 1.00 0.00 H new ATOM 0 HG23 VAL A 18 59.084 -3.611 12.656 1.00 0.00 H new ATOM 311 N LYS A 19 56.428 -4.252 9.221 1.00 0.00 N ATOM 312 CA LYS A 19 55.817 -4.828 7.993 1.00 0.00 C ATOM 313 C LYS A 19 54.884 -3.791 7.362 1.00 0.00 C ATOM 314 O LYS A 19 55.003 -3.463 6.199 1.00 0.00 O ATOM 315 CB LYS A 19 55.018 -6.084 8.345 1.00 0.00 C ATOM 316 CG LYS A 19 55.935 -7.308 8.282 1.00 0.00 C ATOM 317 CD LYS A 19 55.145 -8.511 7.765 1.00 0.00 C ATOM 318 CE LYS A 19 54.386 -9.156 8.926 1.00 0.00 C ATOM 319 NZ LYS A 19 54.270 -10.623 8.690 1.00 0.00 N ATOM 0 H LYS A 19 56.173 -4.712 10.095 1.00 0.00 H new ATOM 0 HA LYS A 19 56.606 -5.094 7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 19 54.590 -5.988 9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 19 54.185 -6.204 7.652 1.00 0.00 H new ATOM 0 HG2 LYS A 19 56.783 -7.107 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 19 56.340 -7.523 9.271 1.00 0.00 H new ATOM 0 HD2 LYS A 19 54.447 -8.196 6.990 1.00 0.00 H new ATOM 0 HD3 LYS A 19 55.820 -9.236 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 19 54.908 -8.968 9.865 1.00 0.00 H new ATOM 0 HE3 LYS A 19 53.395 -8.712 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 53.754 -11.062 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 53.755 -10.792 7.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 55.220 -11.040 8.623 1.00 0.00 H new ATOM 333 N LYS A 20 53.958 -3.269 8.124 1.00 0.00 N ATOM 334 CA LYS A 20 53.024 -2.249 7.569 1.00 0.00 C ATOM 335 C LYS A 20 53.834 -1.061 7.047 1.00 0.00 C ATOM 336 O LYS A 20 53.594 -0.552 5.970 1.00 0.00 O ATOM 337 CB LYS A 20 52.075 -1.770 8.669 1.00 0.00 C ATOM 338 CG LYS A 20 51.342 -0.502 8.208 1.00 0.00 C ATOM 339 CD LYS A 20 49.840 -0.782 8.137 1.00 0.00 C ATOM 340 CE LYS A 20 49.346 -1.261 9.504 1.00 0.00 C ATOM 341 NZ LYS A 20 48.427 -0.242 10.085 1.00 0.00 N ATOM 0 H LYS A 20 53.810 -3.506 9.105 1.00 0.00 H new ATOM 0 HA LYS A 20 52.444 -2.688 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 20 51.354 -2.552 8.906 1.00 0.00 H new ATOM 0 HB3 LYS A 20 52.635 -1.566 9.582 1.00 0.00 H new ATOM 0 HG2 LYS A 20 51.538 0.317 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 20 51.712 -0.190 7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 20 49.305 0.120 7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 20 49.635 -1.538 7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 20 48.830 -2.216 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 20 50.192 -1.426 10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 48.091 -0.567 11.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 48.934 0.659 10.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 47.614 -0.106 9.451 1.00 0.00 H new ATOM 355 N CYS A 21 54.789 -0.615 7.815 1.00 0.00 N ATOM 356 CA CYS A 21 55.623 0.543 7.390 1.00 0.00 C ATOM 357 C CYS A 21 56.184 0.288 5.991 1.00 0.00 C ATOM 358 O CYS A 21 56.054 1.106 5.100 1.00 0.00 O ATOM 359 CB CYS A 21 56.769 0.715 8.387 1.00 0.00 C ATOM 360 SG CYS A 21 56.098 1.309 9.959 1.00 0.00 S ATOM 0 H CYS A 21 55.029 -1.007 8.726 1.00 0.00 H new ATOM 0 HA CYS A 21 55.017 1.449 7.366 1.00 0.00 H new ATOM 0 HB2 CYS A 21 57.287 -0.233 8.533 1.00 0.00 H new ATOM 0 HB3 CYS A 21 57.502 1.422 7.999 1.00 0.00 H new ATOM 365 N CYS A 22 56.796 -0.845 5.785 1.00 0.00 N ATOM 366 CA CYS A 22 57.350 -1.153 4.441 1.00 0.00 C ATOM 367 C CYS A 22 56.184 -1.396 3.486 1.00 0.00 C ATOM 368 O CYS A 22 56.315 -1.285 2.285 1.00 0.00 O ATOM 369 CB CYS A 22 58.226 -2.406 4.528 1.00 0.00 C ATOM 370 SG CYS A 22 58.517 -3.074 2.869 1.00 0.00 S ATOM 0 H CYS A 22 56.935 -1.569 6.490 1.00 0.00 H new ATOM 0 HA CYS A 22 57.958 -0.324 4.079 1.00 0.00 H new ATOM 0 HB2 CYS A 22 59.176 -2.163 5.003 1.00 0.00 H new ATOM 0 HB3 CYS A 22 57.741 -3.157 5.151 1.00 0.00 H new ATOM 375 N TYR A 23 55.042 -1.723 4.020 1.00 0.00 N ATOM 376 CA TYR A 23 53.864 -1.966 3.153 1.00 0.00 C ATOM 377 C TYR A 23 53.525 -0.678 2.413 1.00 0.00 C ATOM 378 O TYR A 23 53.462 -0.639 1.201 1.00 0.00 O ATOM 379 CB TYR A 23 52.682 -2.381 4.011 1.00 0.00 C ATOM 380 CG TYR A 23 52.280 -3.768 3.633 1.00 0.00 C ATOM 381 CD1 TYR A 23 51.766 -4.030 2.359 1.00 0.00 C ATOM 382 CD2 TYR A 23 52.428 -4.790 4.555 1.00 0.00 C ATOM 383 CE1 TYR A 23 51.396 -5.332 2.012 1.00 0.00 C ATOM 384 CE2 TYR A 23 52.063 -6.082 4.215 1.00 0.00 C ATOM 385 CZ TYR A 23 51.545 -6.362 2.944 1.00 0.00 C ATOM 386 OH TYR A 23 51.182 -7.652 2.614 1.00 0.00 O ATOM 0 H TYR A 23 54.876 -1.832 5.020 1.00 0.00 H new ATOM 0 HA TYR A 23 54.086 -2.758 2.438 1.00 0.00 H new ATOM 0 HB2 TYR A 23 52.949 -2.339 5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 23 51.849 -1.693 3.865 1.00 0.00 H new ATOM 0 HD1 TYR A 23 51.655 -3.228 1.645 1.00 0.00 H new ATOM 0 HD2 TYR A 23 52.827 -4.580 5.537 1.00 0.00 H new ATOM 0 HE1 TYR A 23 50.998 -5.541 1.030 1.00 0.00 H new ATOM 0 HE2 TYR A 23 52.179 -6.879 4.935 1.00 0.00 H new ATOM 0 HH TYR A 23 51.985 -8.177 2.416 1.00 0.00 H new ATOM 396 N ASP A 24 53.322 0.386 3.141 1.00 0.00 N ATOM 397 CA ASP A 24 53.006 1.679 2.485 1.00 0.00 C ATOM 398 C ASP A 24 54.234 2.129 1.703 1.00 0.00 C ATOM 399 O ASP A 24 54.141 2.521 0.560 1.00 0.00 O ATOM 400 CB ASP A 24 52.661 2.725 3.543 1.00 0.00 C ATOM 401 CG ASP A 24 51.900 2.060 4.691 1.00 0.00 C ATOM 402 OD1 ASP A 24 50.918 1.392 4.417 1.00 0.00 O ATOM 403 OD2 ASP A 24 52.316 2.230 5.827 1.00 0.00 O ATOM 0 H ASP A 24 53.362 0.412 4.160 1.00 0.00 H new ATOM 0 HA ASP A 24 52.153 1.562 1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 24 53.572 3.191 3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 24 52.056 3.517 3.102 1.00 0.00 H new ATOM 408 N GLY A 25 55.390 2.060 2.309 1.00 0.00 N ATOM 409 CA GLY A 25 56.632 2.470 1.592 1.00 0.00 C ATOM 410 C GLY A 25 56.563 1.950 0.152 1.00 0.00 C ATOM 411 O GLY A 25 56.647 2.703 -0.796 1.00 0.00 O ATOM 0 H GLY A 25 55.527 1.738 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 25 56.730 3.556 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 25 57.510 2.068 2.097 1.00 0.00 H new ATOM 415 N ALA A 26 56.383 0.668 -0.015 1.00 0.00 N ATOM 416 CA ALA A 26 56.281 0.099 -1.390 1.00 0.00 C ATOM 417 C ALA A 26 55.021 0.638 -2.074 1.00 0.00 C ATOM 418 O ALA A 26 55.012 0.903 -3.259 1.00 0.00 O ATOM 419 CB ALA A 26 56.193 -1.424 -1.303 1.00 0.00 C ATOM 0 H ALA A 26 56.302 -0.011 0.742 1.00 0.00 H new ATOM 0 HA ALA A 26 57.161 0.384 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 26 56.118 -1.842 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 26 57.086 -1.813 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 26 55.312 -1.705 -0.726 1.00 0.00 H new ATOM 425 N CYS A 27 53.956 0.801 -1.334 1.00 0.00 N ATOM 426 CA CYS A 27 52.696 1.322 -1.940 1.00 0.00 C ATOM 427 C CYS A 27 52.737 2.854 -1.977 1.00 0.00 C ATOM 428 O CYS A 27 51.733 3.497 -2.212 1.00 0.00 O ATOM 429 CB CYS A 27 51.501 0.865 -1.100 1.00 0.00 C ATOM 430 SG CYS A 27 51.341 -0.935 -1.210 1.00 0.00 S ATOM 0 H CYS A 27 53.904 0.596 -0.336 1.00 0.00 H new ATOM 0 HA CYS A 27 52.597 0.938 -2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 27 51.636 1.166 -0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 27 50.589 1.344 -1.455 1.00 0.00 H new ATOM 0 HG CYS A 27 52.121 -1.494 -0.333 1.00 0.00 H new ATOM 436 N VAL A 28 53.891 3.426 -1.727 1.00 0.00 N ATOM 437 CA VAL A 28 54.052 4.913 -1.720 1.00 0.00 C ATOM 438 C VAL A 28 53.006 5.576 -2.625 1.00 0.00 C ATOM 439 O VAL A 28 52.882 5.252 -3.789 1.00 0.00 O ATOM 440 CB VAL A 28 55.458 5.251 -2.227 1.00 0.00 C ATOM 441 CG1 VAL A 28 55.778 4.392 -3.451 1.00 0.00 C ATOM 442 CG2 VAL A 28 55.534 6.732 -2.612 1.00 0.00 C ATOM 0 H VAL A 28 54.747 2.911 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 28 53.912 5.287 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 28 56.181 5.049 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 28 56.778 4.632 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 28 55.734 3.338 -3.177 1.00 0.00 H new ATOM 0 HG13 VAL A 28 55.050 4.593 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 28 56.537 6.964 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 28 54.809 6.941 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL A 28 55.310 7.347 -1.740 1.00 0.00 H new ATOM 452 N ASN A 29 52.251 6.500 -2.095 1.00 0.00 N ATOM 453 CA ASN A 29 51.214 7.180 -2.920 1.00 0.00 C ATOM 454 C ASN A 29 51.891 8.083 -3.954 1.00 0.00 C ATOM 455 O ASN A 29 52.220 7.656 -5.043 1.00 0.00 O ATOM 456 CB ASN A 29 50.315 8.023 -2.012 1.00 0.00 C ATOM 457 CG ASN A 29 49.547 7.104 -1.062 1.00 0.00 C ATOM 458 OD1 ASN A 29 49.228 5.983 -1.407 1.00 0.00 O ATOM 459 ND2 ASN A 29 49.234 7.533 0.132 1.00 0.00 N ATOM 0 H ASN A 29 52.308 6.813 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 29 50.611 6.432 -3.435 1.00 0.00 H new ATOM 0 HB2 ASN A 29 50.917 8.732 -1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 29 49.618 8.607 -2.613 1.00 0.00 H new ATOM 0 HD21 ASN A 29 48.722 6.927 0.774 1.00 0.00 H new ATOM 0 HD22 ASN A 29 49.501 8.474 0.422 1.00 0.00 H new ATOM 466 N ASN A 30 52.103 9.329 -3.625 1.00 0.00 N ATOM 467 CA ASN A 30 52.757 10.253 -4.591 1.00 0.00 C ATOM 468 C ASN A 30 53.966 9.557 -5.221 1.00 0.00 C ATOM 469 O ASN A 30 54.643 8.776 -4.585 1.00 0.00 O ATOM 470 CB ASN A 30 53.219 11.514 -3.856 1.00 0.00 C ATOM 471 CG ASN A 30 53.913 12.456 -4.840 1.00 0.00 C ATOM 472 OD1 ASN A 30 54.881 13.105 -4.496 1.00 0.00 O ATOM 473 ND2 ASN A 30 53.458 12.559 -6.059 1.00 0.00 N ATOM 0 H ASN A 30 51.851 9.745 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 30 52.047 10.527 -5.372 1.00 0.00 H new ATOM 0 HB2 ASN A 30 52.365 12.014 -3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 30 53.902 11.247 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 30 53.915 13.184 -6.723 1.00 0.00 H new ATOM 0 HD22 ASN A 30 52.645 12.014 -6.348 1.00 0.00 H new ATOM 480 N ASP A 31 54.243 9.835 -6.466 1.00 0.00 N ATOM 481 CA ASP A 31 55.408 9.188 -7.132 1.00 0.00 C ATOM 482 C ASP A 31 56.647 9.341 -6.247 1.00 0.00 C ATOM 483 O ASP A 31 57.515 8.491 -6.224 1.00 0.00 O ATOM 484 CB ASP A 31 55.660 9.859 -8.484 1.00 0.00 C ATOM 485 CG ASP A 31 56.945 9.304 -9.100 1.00 0.00 C ATOM 486 OD1 ASP A 31 57.186 8.117 -8.949 1.00 0.00 O ATOM 487 OD2 ASP A 31 57.668 10.074 -9.712 1.00 0.00 O ATOM 0 H ASP A 31 53.713 10.482 -7.050 1.00 0.00 H new ATOM 0 HA ASP A 31 55.199 8.129 -7.286 1.00 0.00 H new ATOM 0 HB2 ASP A 31 54.818 9.681 -9.153 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.743 10.938 -8.356 1.00 0.00 H new ATOM 492 N GLU A 32 56.733 10.419 -5.517 1.00 0.00 N ATOM 493 CA GLU A 32 57.912 10.627 -4.633 1.00 0.00 C ATOM 494 C GLU A 32 57.438 10.719 -3.175 1.00 0.00 C ATOM 495 O GLU A 32 56.585 9.961 -2.765 1.00 0.00 O ATOM 496 CB GLU A 32 58.626 11.920 -5.043 1.00 0.00 C ATOM 497 CG GLU A 32 59.057 11.823 -6.509 1.00 0.00 C ATOM 498 CD GLU A 32 58.558 13.052 -7.271 1.00 0.00 C ATOM 499 OE1 GLU A 32 57.383 13.087 -7.596 1.00 0.00 O ATOM 500 OE2 GLU A 32 59.360 13.939 -7.517 1.00 0.00 O ATOM 0 H GLU A 32 56.037 11.164 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 32 58.606 9.792 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 32 57.963 12.774 -4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 32 59.496 12.085 -4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 32 60.143 11.757 -6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 32 58.654 10.915 -6.958 1.00 0.00 H new ATOM 507 N THR A 33 57.993 11.640 -2.406 1.00 0.00 N ATOM 508 CA THR A 33 57.612 11.823 -0.962 1.00 0.00 C ATOM 509 C THR A 33 56.540 10.822 -0.519 1.00 0.00 C ATOM 510 O THR A 33 55.393 11.171 -0.328 1.00 0.00 O ATOM 511 CB THR A 33 57.082 13.245 -0.763 1.00 0.00 C ATOM 512 OG1 THR A 33 56.442 13.681 -1.955 1.00 0.00 O ATOM 513 CG2 THR A 33 58.243 14.182 -0.430 1.00 0.00 C ATOM 0 H THR A 33 58.712 12.287 -2.731 1.00 0.00 H new ATOM 0 HA THR A 33 58.501 11.650 -0.356 1.00 0.00 H new ATOM 0 HB THR A 33 56.365 13.255 0.058 1.00 0.00 H new ATOM 0 HG1 THR A 33 56.100 14.591 -1.829 1.00 0.00 H new ATOM 0 HG21 THR A 33 57.864 15.194 -0.289 1.00 0.00 H new ATOM 0 HG22 THR A 33 58.731 13.846 0.485 1.00 0.00 H new ATOM 0 HG23 THR A 33 58.963 14.175 -1.249 1.00 0.00 H new ATOM 521 N CYS A 34 56.907 9.580 -0.366 1.00 0.00 N ATOM 522 CA CYS A 34 55.904 8.550 0.062 1.00 0.00 C ATOM 523 C CYS A 34 55.165 9.023 1.321 1.00 0.00 C ATOM 524 O CYS A 34 54.136 9.664 1.242 1.00 0.00 O ATOM 525 CB CYS A 34 56.576 7.198 0.364 1.00 0.00 C ATOM 526 SG CYS A 34 58.334 7.400 0.763 1.00 0.00 S ATOM 0 H CYS A 34 57.853 9.229 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 34 55.202 8.418 -0.761 1.00 0.00 H new ATOM 0 HB2 CYS A 34 56.066 6.716 1.198 1.00 0.00 H new ATOM 0 HB3 CYS A 34 56.471 6.539 -0.498 1.00 0.00 H new ATOM 531 N GLU A 35 55.674 8.702 2.484 1.00 0.00 N ATOM 532 CA GLU A 35 54.992 9.132 3.743 1.00 0.00 C ATOM 533 C GLU A 35 54.967 10.660 3.798 1.00 0.00 C ATOM 534 O GLU A 35 54.008 11.264 4.254 1.00 0.00 O ATOM 535 CB GLU A 35 55.748 8.576 4.949 1.00 0.00 C ATOM 536 CG GLU A 35 55.600 7.056 4.975 1.00 0.00 C ATOM 537 CD GLU A 35 54.228 6.685 5.540 1.00 0.00 C ATOM 538 OE1 GLU A 35 53.257 6.813 4.814 1.00 0.00 O ATOM 539 OE2 GLU A 35 54.173 6.281 6.689 1.00 0.00 O ATOM 0 H GLU A 35 56.530 8.163 2.616 1.00 0.00 H new ATOM 0 HA GLU A 35 53.971 8.752 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 35 56.801 8.850 4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 35 55.356 9.008 5.870 1.00 0.00 H new ATOM 0 HG2 GLU A 35 55.712 6.652 3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 35 56.388 6.614 5.585 1.00 0.00 H new ATOM 546 N GLN A 36 56.001 11.298 3.308 1.00 0.00 N ATOM 547 CA GLN A 36 56.003 12.783 3.303 1.00 0.00 C ATOM 548 C GLN A 36 54.678 13.211 2.694 1.00 0.00 C ATOM 549 O GLN A 36 54.083 14.204 3.068 1.00 0.00 O ATOM 550 CB GLN A 36 57.160 13.300 2.446 1.00 0.00 C ATOM 551 CG GLN A 36 58.322 13.708 3.351 1.00 0.00 C ATOM 552 CD GLN A 36 58.537 15.219 3.257 1.00 0.00 C ATOM 553 OE1 GLN A 36 57.805 15.987 3.849 1.00 0.00 O ATOM 554 NE2 GLN A 36 59.519 15.683 2.532 1.00 0.00 N ATOM 0 H GLN A 36 56.833 10.856 2.917 1.00 0.00 H new ATOM 0 HA GLN A 36 56.126 13.183 4.310 1.00 0.00 H new ATOM 0 HB2 GLN A 36 57.483 12.528 1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 36 56.833 14.152 1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 36 58.111 13.424 4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 36 59.229 13.182 3.055 1.00 0.00 H new ATOM 0 HE21 GLN A 36 60.134 15.039 2.035 1.00 0.00 H new ATOM 0 HE22 GLN A 36 59.671 16.689 2.463 1.00 0.00 H new ATOM 563 N ARG A 37 54.197 12.418 1.778 1.00 0.00 N ATOM 564 CA ARG A 37 52.886 12.702 1.143 1.00 0.00 C ATOM 565 C ARG A 37 51.809 12.208 2.101 1.00 0.00 C ATOM 566 O ARG A 37 50.778 12.829 2.271 1.00 0.00 O ATOM 567 CB ARG A 37 52.778 11.956 -0.187 1.00 0.00 C ATOM 568 CG ARG A 37 51.357 12.098 -0.738 1.00 0.00 C ATOM 569 CD ARG A 37 51.175 13.498 -1.327 1.00 0.00 C ATOM 570 NE ARG A 37 49.722 13.807 -1.429 1.00 0.00 N ATOM 571 CZ ARG A 37 49.179 14.024 -2.597 1.00 0.00 C ATOM 572 NH1 ARG A 37 49.825 14.711 -3.500 1.00 0.00 N ATOM 573 NH2 ARG A 37 47.991 13.554 -2.862 1.00 0.00 N ATOM 0 H ARG A 37 54.664 11.576 1.440 1.00 0.00 H new ATOM 0 HA ARG A 37 52.774 13.768 0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 37 53.498 12.357 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 37 53.021 10.903 -0.046 1.00 0.00 H new ATOM 0 HG2 ARG A 37 51.175 11.344 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 37 50.629 11.928 0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 37 51.672 14.237 -0.698 1.00 0.00 H new ATOM 0 HD3 ARG A 37 51.640 13.554 -2.311 1.00 0.00 H new ATOM 0 HE ARG A 37 49.150 13.849 -0.586 1.00 0.00 H new ATOM 0 HH11 ARG A 37 50.754 15.078 -3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 37 49.401 14.880 -4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 37 47.486 13.017 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 37 47.567 13.724 -3.774 1.00 0.00 H new ATOM 587 N ALA A 38 52.063 11.097 2.755 1.00 0.00 N ATOM 588 CA ALA A 38 51.078 10.564 3.738 1.00 0.00 C ATOM 589 C ALA A 38 50.550 11.734 4.553 1.00 0.00 C ATOM 590 O ALA A 38 49.400 12.113 4.458 1.00 0.00 O ATOM 591 CB ALA A 38 51.773 9.560 4.671 1.00 0.00 C ATOM 0 H ALA A 38 52.911 10.540 2.647 1.00 0.00 H new ATOM 0 HA ALA A 38 50.261 10.059 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 38 51.051 9.171 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 38 52.179 8.737 4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 38 52.583 10.059 5.204 1.00 0.00 H new ATOM 597 N ALA A 39 51.398 12.317 5.340 1.00 0.00 N ATOM 598 CA ALA A 39 50.981 13.483 6.160 1.00 0.00 C ATOM 599 C ALA A 39 52.158 13.883 7.033 1.00 0.00 C ATOM 600 O ALA A 39 52.514 15.039 7.152 1.00 0.00 O ATOM 601 CB ALA A 39 49.790 13.097 7.040 1.00 0.00 C ATOM 0 H ALA A 39 52.372 12.035 5.454 1.00 0.00 H new ATOM 0 HA ALA A 39 50.684 14.313 5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 39 49.487 13.955 7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 39 48.958 12.784 6.409 1.00 0.00 H new ATOM 0 HB3 ALA A 39 50.075 12.277 7.699 1.00 0.00 H new ATOM 607 N ARG A 40 52.761 12.906 7.640 1.00 0.00 N ATOM 608 CA ARG A 40 53.930 13.156 8.523 1.00 0.00 C ATOM 609 C ARG A 40 54.370 11.823 9.110 1.00 0.00 C ATOM 610 O ARG A 40 53.641 11.211 9.864 1.00 0.00 O ATOM 611 CB ARG A 40 53.535 14.106 9.653 1.00 0.00 C ATOM 612 CG ARG A 40 54.255 15.443 9.472 1.00 0.00 C ATOM 613 CD ARG A 40 54.570 16.044 10.843 1.00 0.00 C ATOM 614 NE ARG A 40 53.866 17.350 10.986 1.00 0.00 N ATOM 615 CZ ARG A 40 53.057 17.549 11.991 1.00 0.00 C ATOM 616 NH1 ARG A 40 53.541 17.838 13.168 1.00 0.00 N ATOM 617 NH2 ARG A 40 51.767 17.463 11.819 1.00 0.00 N ATOM 0 H ARG A 40 52.489 11.926 7.561 1.00 0.00 H new ATOM 0 HA ARG A 40 54.741 13.609 7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 40 52.456 14.259 9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 40 53.795 13.669 10.617 1.00 0.00 H new ATOM 0 HG2 ARG A 40 55.176 15.299 8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 40 53.632 16.128 8.897 1.00 0.00 H new ATOM 0 HD2 ARG A 40 54.256 15.361 11.632 1.00 0.00 H new ATOM 0 HD3 ARG A 40 55.645 16.184 10.952 1.00 0.00 H new ATOM 0 HE ARG A 40 54.016 18.088 10.298 1.00 0.00 H new ATOM 0 HH11 ARG A 40 54.550 17.908 13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 40 52.910 17.994 13.954 1.00 0.00 H new ATOM 0 HH21 ARG A 40 51.389 17.240 10.898 1.00 0.00 H new ATOM 0 HH22 ARG A 40 51.136 17.619 12.605 1.00 0.00 H new ATOM 631 N ILE A 41 55.537 11.350 8.776 1.00 0.00 N ATOM 632 CA ILE A 41 55.963 10.044 9.338 1.00 0.00 C ATOM 633 C ILE A 41 55.798 10.074 10.841 1.00 0.00 C ATOM 634 O ILE A 41 56.660 10.512 11.576 1.00 0.00 O ATOM 635 CB ILE A 41 57.414 9.719 8.977 1.00 0.00 C ATOM 636 CG1 ILE A 41 57.679 8.278 9.387 1.00 0.00 C ATOM 637 CG2 ILE A 41 58.373 10.656 9.710 1.00 0.00 C ATOM 638 CD1 ILE A 41 56.715 7.369 8.622 1.00 0.00 C ATOM 0 H ILE A 41 56.202 11.803 8.150 1.00 0.00 H new ATOM 0 HA ILE A 41 55.336 9.263 8.907 1.00 0.00 H new ATOM 0 HB ILE A 41 57.573 9.851 7.907 1.00 0.00 H new ATOM 0 HG12 ILE A 41 58.711 8.006 9.167 1.00 0.00 H new ATOM 0 HG13 ILE A 41 57.540 8.158 10.461 1.00 0.00 H new ATOM 0 HG21 ILE A 41 59.400 10.409 9.440 1.00 0.00 H new ATOM 0 HG22 ILE A 41 58.161 11.687 9.427 1.00 0.00 H new ATOM 0 HG23 ILE A 41 58.243 10.541 10.786 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.892 6.331 8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 41 55.688 7.641 8.865 1.00 0.00 H new ATOM 0 HD13 ILE A 41 56.877 7.486 7.551 1.00 0.00 H new ATOM 650 N SER A 42 54.685 9.602 11.308 1.00 0.00 N ATOM 651 CA SER A 42 54.468 9.598 12.760 1.00 0.00 C ATOM 652 C SER A 42 53.848 8.291 13.181 1.00 0.00 C ATOM 653 O SER A 42 52.905 8.246 13.942 1.00 0.00 O ATOM 654 CB SER A 42 53.577 10.764 13.166 1.00 0.00 C ATOM 655 OG SER A 42 52.214 10.384 13.038 1.00 0.00 O ATOM 0 H SER A 42 53.923 9.222 10.746 1.00 0.00 H new ATOM 0 HA SER A 42 55.429 9.710 13.262 1.00 0.00 H new ATOM 0 HB2 SER A 42 53.789 11.057 14.194 1.00 0.00 H new ATOM 0 HB3 SER A 42 53.785 11.630 12.538 1.00 0.00 H new ATOM 0 HG SER A 42 52.013 9.668 13.677 1.00 0.00 H new ATOM 661 N LEU A 43 54.400 7.219 12.715 1.00 0.00 N ATOM 662 CA LEU A 43 53.869 5.913 13.119 1.00 0.00 C ATOM 663 C LEU A 43 54.936 5.193 13.940 1.00 0.00 C ATOM 664 O LEU A 43 54.698 4.149 14.515 1.00 0.00 O ATOM 665 CB LEU A 43 53.501 5.087 11.886 1.00 0.00 C ATOM 666 CG LEU A 43 52.423 5.819 11.085 1.00 0.00 C ATOM 667 CD1 LEU A 43 52.692 5.645 9.589 1.00 0.00 C ATOM 668 CD2 LEU A 43 51.050 5.235 11.426 1.00 0.00 C ATOM 0 H LEU A 43 55.193 7.195 12.074 1.00 0.00 H new ATOM 0 HA LEU A 43 52.967 6.046 13.717 1.00 0.00 H new ATOM 0 HB2 LEU A 43 54.383 4.926 11.266 1.00 0.00 H new ATOM 0 HB3 LEU A 43 53.140 4.104 12.188 1.00 0.00 H new ATOM 0 HG LEU A 43 52.441 6.879 11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 43 51.924 6.167 9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 43 53.670 6.060 9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 43 52.674 4.585 9.337 1.00 0.00 H new ATOM 0 HD21 LEU A 43 50.281 5.756 10.856 1.00 0.00 H new ATOM 0 HD22 LEU A 43 51.033 4.175 11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 43 50.857 5.358 12.492 1.00 0.00 H new ATOM 680 N GLY A 44 56.117 5.753 14.008 1.00 0.00 N ATOM 681 CA GLY A 44 57.200 5.108 14.802 1.00 0.00 C ATOM 682 C GLY A 44 58.545 5.300 14.100 1.00 0.00 C ATOM 683 O GLY A 44 58.618 5.877 13.034 1.00 0.00 O ATOM 0 H GLY A 44 56.375 6.626 13.549 1.00 0.00 H new ATOM 0 HA2 GLY A 44 57.237 5.541 15.802 1.00 0.00 H new ATOM 0 HA3 GLY A 44 56.991 4.045 14.922 1.00 0.00 H new ATOM 687 N PRO A 45 59.594 4.810 14.703 1.00 0.00 N ATOM 688 CA PRO A 45 60.981 4.905 14.157 1.00 0.00 C ATOM 689 C PRO A 45 61.191 3.836 13.084 1.00 0.00 C ATOM 690 O PRO A 45 61.451 4.138 11.936 1.00 0.00 O ATOM 691 CB PRO A 45 61.841 4.618 15.378 1.00 0.00 C ATOM 692 CG PRO A 45 60.994 3.816 16.348 1.00 0.00 C ATOM 693 CD PRO A 45 59.528 4.089 16.013 1.00 0.00 C ATOM 0 HA PRO A 45 61.208 5.862 13.687 1.00 0.00 H new ATOM 0 HB2 PRO A 45 62.734 4.061 15.096 1.00 0.00 H new ATOM 0 HB3 PRO A 45 62.177 5.547 15.838 1.00 0.00 H new ATOM 0 HG2 PRO A 45 61.215 2.752 16.261 1.00 0.00 H new ATOM 0 HG3 PRO A 45 61.212 4.104 17.376 1.00 0.00 H new ATOM 0 HD2 PRO A 45 58.956 3.164 15.933 1.00 0.00 H new ATOM 0 HD3 PRO A 45 59.048 4.696 16.781 1.00 0.00 H new ATOM 701 N ARG A 46 61.072 2.587 13.445 1.00 0.00 N ATOM 702 CA ARG A 46 61.254 1.501 12.443 1.00 0.00 C ATOM 703 C ARG A 46 60.518 1.885 11.155 1.00 0.00 C ATOM 704 O ARG A 46 60.886 1.481 10.075 1.00 0.00 O ATOM 705 CB ARG A 46 60.701 0.183 13.011 1.00 0.00 C ATOM 706 CG ARG A 46 59.192 0.060 12.742 1.00 0.00 C ATOM 707 CD ARG A 46 58.432 1.113 13.550 1.00 0.00 C ATOM 708 NE ARG A 46 57.587 0.438 14.575 1.00 0.00 N ATOM 709 CZ ARG A 46 56.920 1.149 15.443 1.00 0.00 C ATOM 710 NH1 ARG A 46 56.081 2.061 15.032 1.00 0.00 N ATOM 711 NH2 ARG A 46 57.091 0.949 16.720 1.00 0.00 N ATOM 0 H ARG A 46 60.857 2.273 14.391 1.00 0.00 H new ATOM 0 HA ARG A 46 62.313 1.366 12.221 1.00 0.00 H new ATOM 0 HB2 ARG A 46 61.225 -0.660 12.560 1.00 0.00 H new ATOM 0 HB3 ARG A 46 60.888 0.138 14.084 1.00 0.00 H new ATOM 0 HG2 ARG A 46 58.991 0.190 11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 46 58.846 -0.938 13.012 1.00 0.00 H new ATOM 0 HD2 ARG A 46 59.134 1.793 14.032 1.00 0.00 H new ATOM 0 HD3 ARG A 46 57.809 1.715 12.888 1.00 0.00 H new ATOM 0 HE ARG A 46 57.530 -0.580 14.598 1.00 0.00 H new ATOM 0 HH11 ARG A 46 55.947 2.218 14.033 1.00 0.00 H new ATOM 0 HH12 ARG A 46 55.560 2.617 15.710 1.00 0.00 H new ATOM 0 HH21 ARG A 46 57.746 0.237 17.041 1.00 0.00 H new ATOM 0 HH22 ARG A 46 56.569 1.505 17.398 1.00 0.00 H new ATOM 725 N CYS A 47 59.484 2.668 11.277 1.00 0.00 N ATOM 726 CA CYS A 47 58.702 3.105 10.081 1.00 0.00 C ATOM 727 C CYS A 47 59.546 4.015 9.208 1.00 0.00 C ATOM 728 O CYS A 47 59.740 3.773 8.042 1.00 0.00 O ATOM 729 CB CYS A 47 57.499 3.912 10.551 1.00 0.00 C ATOM 730 SG CYS A 47 56.005 3.312 9.727 1.00 0.00 S ATOM 0 H CYS A 47 59.140 3.030 12.166 1.00 0.00 H new ATOM 0 HA CYS A 47 58.397 2.223 9.519 1.00 0.00 H new ATOM 0 HB2 CYS A 47 57.390 3.825 11.632 1.00 0.00 H new ATOM 0 HB3 CYS A 47 57.649 4.969 10.330 1.00 0.00 H new ATOM 735 N ILE A 48 60.017 5.082 9.762 1.00 0.00 N ATOM 736 CA ILE A 48 60.820 6.041 8.968 1.00 0.00 C ATOM 737 C ILE A 48 61.723 5.293 7.967 1.00 0.00 C ATOM 738 O ILE A 48 61.595 5.457 6.769 1.00 0.00 O ATOM 739 CB ILE A 48 61.656 6.896 9.931 1.00 0.00 C ATOM 740 CG1 ILE A 48 60.829 8.099 10.394 1.00 0.00 C ATOM 741 CG2 ILE A 48 62.907 7.405 9.229 1.00 0.00 C ATOM 742 CD1 ILE A 48 59.655 7.624 11.248 1.00 0.00 C ATOM 0 H ILE A 48 59.881 5.337 10.740 1.00 0.00 H new ATOM 0 HA ILE A 48 60.159 6.688 8.391 1.00 0.00 H new ATOM 0 HB ILE A 48 61.942 6.284 10.786 1.00 0.00 H new ATOM 0 HG12 ILE A 48 61.455 8.782 10.968 1.00 0.00 H new ATOM 0 HG13 ILE A 48 60.461 8.653 9.530 1.00 0.00 H new ATOM 0 HG21 ILE A 48 63.492 8.010 9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 48 63.505 6.558 8.892 1.00 0.00 H new ATOM 0 HG23 ILE A 48 62.621 8.012 8.370 1.00 0.00 H new ATOM 0 HD11 ILE A 48 59.071 8.484 11.574 1.00 0.00 H new ATOM 0 HD12 ILE A 48 59.023 6.958 10.660 1.00 0.00 H new ATOM 0 HD13 ILE A 48 60.032 7.090 12.120 1.00 0.00 H new ATOM 754 N LYS A 49 62.634 4.483 8.440 1.00 0.00 N ATOM 755 CA LYS A 49 63.551 3.762 7.508 1.00 0.00 C ATOM 756 C LYS A 49 62.883 2.524 6.906 1.00 0.00 C ATOM 757 O LYS A 49 63.281 2.054 5.857 1.00 0.00 O ATOM 758 CB LYS A 49 64.805 3.328 8.272 1.00 0.00 C ATOM 759 CG LYS A 49 65.529 4.560 8.818 1.00 0.00 C ATOM 760 CD LYS A 49 66.480 5.110 7.752 1.00 0.00 C ATOM 761 CE LYS A 49 67.301 6.257 8.343 1.00 0.00 C ATOM 762 NZ LYS A 49 68.331 5.707 9.270 1.00 0.00 N ATOM 0 H LYS A 49 62.783 4.290 9.430 1.00 0.00 H new ATOM 0 HA LYS A 49 63.809 4.441 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 49 64.531 2.663 9.091 1.00 0.00 H new ATOM 0 HB3 LYS A 49 65.468 2.767 7.613 1.00 0.00 H new ATOM 0 HG2 LYS A 49 64.805 5.323 9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 49 66.087 4.298 9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 49 67.142 4.320 7.398 1.00 0.00 H new ATOM 0 HD3 LYS A 49 65.913 5.461 6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 49 67.781 6.824 7.545 1.00 0.00 H new ATOM 0 HE3 LYS A 49 66.648 6.948 8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 69.051 6.433 9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 67.879 5.427 10.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 68.782 4.877 8.835 1.00 0.00 H new ATOM 776 N ALA A 50 61.879 1.986 7.536 1.00 0.00 N ATOM 777 CA ALA A 50 61.231 0.786 6.962 1.00 0.00 C ATOM 778 C ALA A 50 60.430 1.221 5.757 1.00 0.00 C ATOM 779 O ALA A 50 60.690 0.823 4.643 1.00 0.00 O ATOM 780 CB ALA A 50 60.303 0.143 7.991 1.00 0.00 C ATOM 0 H ALA A 50 61.485 2.323 8.414 1.00 0.00 H new ATOM 0 HA ALA A 50 61.987 0.054 6.677 1.00 0.00 H new ATOM 0 HB1 ALA A 50 59.833 -0.739 7.556 1.00 0.00 H new ATOM 0 HB2 ALA A 50 60.880 -0.149 8.869 1.00 0.00 H new ATOM 0 HB3 ALA A 50 59.534 0.857 8.284 1.00 0.00 H new ATOM 786 N PHE A 51 59.456 2.044 5.978 1.00 0.00 N ATOM 787 CA PHE A 51 58.635 2.524 4.862 1.00 0.00 C ATOM 788 C PHE A 51 59.496 3.332 3.907 1.00 0.00 C ATOM 789 O PHE A 51 59.422 3.165 2.717 1.00 0.00 O ATOM 790 CB PHE A 51 57.488 3.400 5.389 1.00 0.00 C ATOM 791 CG PHE A 51 57.870 4.871 5.374 1.00 0.00 C ATOM 792 CD1 PHE A 51 57.917 5.584 4.167 1.00 0.00 C ATOM 793 CD2 PHE A 51 58.179 5.520 6.568 1.00 0.00 C ATOM 794 CE1 PHE A 51 58.275 6.939 4.169 1.00 0.00 C ATOM 795 CE2 PHE A 51 58.533 6.868 6.568 1.00 0.00 C ATOM 796 CZ PHE A 51 58.583 7.577 5.375 1.00 0.00 C ATOM 0 H PHE A 51 59.196 2.405 6.896 1.00 0.00 H new ATOM 0 HA PHE A 51 58.214 1.667 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 51 56.599 3.246 4.778 1.00 0.00 H new ATOM 0 HB3 PHE A 51 57.233 3.098 6.405 1.00 0.00 H new ATOM 0 HD1 PHE A 51 57.678 5.089 3.237 1.00 0.00 H new ATOM 0 HD2 PHE A 51 58.144 4.975 7.500 1.00 0.00 H new ATOM 0 HE1 PHE A 51 58.313 7.490 3.241 1.00 0.00 H new ATOM 0 HE2 PHE A 51 58.769 7.363 7.499 1.00 0.00 H new ATOM 0 HZ PHE A 51 58.860 8.621 5.378 1.00 0.00 H new ATOM 806 N THR A 52 60.282 4.239 4.415 1.00 0.00 N ATOM 807 CA THR A 52 61.107 5.064 3.497 1.00 0.00 C ATOM 808 C THR A 52 61.988 4.145 2.647 1.00 0.00 C ATOM 809 O THR A 52 62.169 4.355 1.468 1.00 0.00 O ATOM 810 CB THR A 52 61.988 6.026 4.296 1.00 0.00 C ATOM 811 OG1 THR A 52 61.165 6.919 5.033 1.00 0.00 O ATOM 812 CG2 THR A 52 62.870 6.825 3.335 1.00 0.00 C ATOM 0 H THR A 52 60.387 4.441 5.409 1.00 0.00 H new ATOM 0 HA THR A 52 60.450 5.646 2.851 1.00 0.00 H new ATOM 0 HB THR A 52 62.617 5.459 4.982 1.00 0.00 H new ATOM 0 HG1 THR A 52 60.262 6.545 5.108 1.00 0.00 H new ATOM 0 HG21 THR A 52 63.498 7.511 3.903 1.00 0.00 H new ATOM 0 HG22 THR A 52 63.501 6.142 2.766 1.00 0.00 H new ATOM 0 HG23 THR A 52 62.240 7.393 2.650 1.00 0.00 H new ATOM 820 N GLU A 53 62.541 3.131 3.253 1.00 0.00 N ATOM 821 CA GLU A 53 63.425 2.182 2.518 1.00 0.00 C ATOM 822 C GLU A 53 62.635 1.402 1.466 1.00 0.00 C ATOM 823 O GLU A 53 63.100 1.191 0.368 1.00 0.00 O ATOM 824 CB GLU A 53 64.018 1.197 3.512 1.00 0.00 C ATOM 825 CG GLU A 53 64.749 0.083 2.759 1.00 0.00 C ATOM 826 CD GLU A 53 65.847 0.691 1.886 1.00 0.00 C ATOM 827 OE1 GLU A 53 66.144 1.860 2.070 1.00 0.00 O ATOM 828 OE2 GLU A 53 66.372 -0.021 1.046 1.00 0.00 O ATOM 0 H GLU A 53 62.416 2.916 4.242 1.00 0.00 H new ATOM 0 HA GLU A 53 64.209 2.750 2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 53 64.708 1.711 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 53 63.229 0.773 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 53 65.182 -0.624 3.466 1.00 0.00 H new ATOM 0 HG3 GLU A 53 64.045 -0.475 2.141 1.00 0.00 H new ATOM 835 N CYS A 54 61.459 0.955 1.796 1.00 0.00 N ATOM 836 CA CYS A 54 60.653 0.176 0.815 1.00 0.00 C ATOM 837 C CYS A 54 60.072 1.123 -0.226 1.00 0.00 C ATOM 838 O CYS A 54 59.790 0.745 -1.345 1.00 0.00 O ATOM 839 CB CYS A 54 59.521 -0.540 1.544 1.00 0.00 C ATOM 840 SG CYS A 54 60.155 -2.090 2.227 1.00 0.00 S ATOM 0 H CYS A 54 61.018 1.095 2.705 1.00 0.00 H new ATOM 0 HA CYS A 54 61.288 -0.560 0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 54 59.127 0.091 2.341 1.00 0.00 H new ATOM 0 HB3 CYS A 54 58.697 -0.739 0.859 1.00 0.00 H new ATOM 845 N CYS A 55 59.905 2.356 0.138 1.00 0.00 N ATOM 846 CA CYS A 55 59.353 3.346 -0.815 1.00 0.00 C ATOM 847 C CYS A 55 60.496 3.844 -1.699 1.00 0.00 C ATOM 848 O CYS A 55 60.285 4.264 -2.815 1.00 0.00 O ATOM 849 CB CYS A 55 58.684 4.484 -0.007 1.00 0.00 C ATOM 850 SG CYS A 55 59.281 6.132 -0.497 1.00 0.00 S ATOM 0 H CYS A 55 60.129 2.724 1.063 1.00 0.00 H new ATOM 0 HA CYS A 55 58.592 2.912 -1.464 1.00 0.00 H new ATOM 0 HB2 CYS A 55 57.604 4.437 -0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 55 58.876 4.333 1.055 1.00 0.00 H new ATOM 855 N VAL A 56 61.711 3.773 -1.217 1.00 0.00 N ATOM 856 CA VAL A 56 62.867 4.223 -2.039 1.00 0.00 C ATOM 857 C VAL A 56 63.243 3.109 -2.997 1.00 0.00 C ATOM 858 O VAL A 56 63.430 3.323 -4.175 1.00 0.00 O ATOM 859 CB VAL A 56 64.064 4.519 -1.137 1.00 0.00 C ATOM 860 CG1 VAL A 56 65.241 4.975 -2.000 1.00 0.00 C ATOM 861 CG2 VAL A 56 63.701 5.610 -0.126 1.00 0.00 C ATOM 0 H VAL A 56 61.949 3.422 -0.289 1.00 0.00 H new ATOM 0 HA VAL A 56 62.594 5.126 -2.586 1.00 0.00 H new ATOM 0 HB VAL A 56 64.341 3.617 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 56 66.099 5.188 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 56 65.501 4.187 -2.707 1.00 0.00 H new ATOM 0 HG13 VAL A 56 64.963 5.876 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 56 64.560 5.814 0.513 1.00 0.00 H new ATOM 0 HG22 VAL A 56 63.419 6.519 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 56 62.865 5.274 0.487 1.00 0.00 H new ATOM 871 N VAL A 57 63.317 1.912 -2.509 1.00 0.00 N ATOM 872 CA VAL A 57 63.633 0.787 -3.403 1.00 0.00 C ATOM 873 C VAL A 57 62.465 0.696 -4.356 1.00 0.00 C ATOM 874 O VAL A 57 62.615 0.577 -5.557 1.00 0.00 O ATOM 875 CB VAL A 57 63.751 -0.491 -2.587 1.00 0.00 C ATOM 876 CG1 VAL A 57 64.904 -0.343 -1.595 1.00 0.00 C ATOM 877 CG2 VAL A 57 62.450 -0.727 -1.816 1.00 0.00 C ATOM 0 H VAL A 57 63.172 1.667 -1.529 1.00 0.00 H new ATOM 0 HA VAL A 57 64.575 0.928 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 57 63.938 -1.335 -3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 57 64.996 -1.255 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 57 65.832 -0.168 -2.139 1.00 0.00 H new ATOM 0 HG13 VAL A 57 64.708 0.499 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 57 62.535 -1.643 -1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 57 62.265 0.114 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 57 61.622 -0.821 -2.519 1.00 0.00 H new ATOM 887 N ALA A 58 61.289 0.824 -3.815 1.00 0.00 N ATOM 888 CA ALA A 58 60.088 0.825 -4.663 1.00 0.00 C ATOM 889 C ALA A 58 60.203 2.038 -5.570 1.00 0.00 C ATOM 890 O ALA A 58 59.701 2.063 -6.673 1.00 0.00 O ATOM 891 CB ALA A 58 58.848 0.971 -3.787 1.00 0.00 C ATOM 0 H ALA A 58 61.116 0.928 -2.815 1.00 0.00 H new ATOM 0 HA ALA A 58 60.006 -0.099 -5.236 1.00 0.00 H new ATOM 0 HB1 ALA A 58 57.957 0.972 -4.415 1.00 0.00 H new ATOM 0 HB2 ALA A 58 58.797 0.138 -3.086 1.00 0.00 H new ATOM 0 HB3 ALA A 58 58.902 1.908 -3.233 1.00 0.00 H new ATOM 897 N SER A 59 60.881 3.047 -5.087 1.00 0.00 N ATOM 898 CA SER A 59 61.071 4.291 -5.880 1.00 0.00 C ATOM 899 C SER A 59 61.857 3.964 -7.145 1.00 0.00 C ATOM 900 O SER A 59 61.552 4.431 -8.224 1.00 0.00 O ATOM 901 CB SER A 59 61.850 5.304 -5.054 1.00 0.00 C ATOM 902 OG SER A 59 61.587 6.613 -5.542 1.00 0.00 O ATOM 0 H SER A 59 61.315 3.059 -4.164 1.00 0.00 H new ATOM 0 HA SER A 59 60.099 4.707 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 59 61.564 5.231 -4.005 1.00 0.00 H new ATOM 0 HB3 SER A 59 62.918 5.091 -5.109 1.00 0.00 H new ATOM 0 HG SER A 59 62.087 7.267 -5.010 1.00 0.00 H new ATOM 908 N GLN A 60 62.872 3.159 -7.010 1.00 0.00 N ATOM 909 CA GLN A 60 63.700 2.778 -8.183 1.00 0.00 C ATOM 910 C GLN A 60 62.938 1.771 -9.033 1.00 0.00 C ATOM 911 O GLN A 60 63.110 1.692 -10.233 1.00 0.00 O ATOM 912 CB GLN A 60 64.984 2.130 -7.690 1.00 0.00 C ATOM 913 CG GLN A 60 66.178 2.936 -8.194 1.00 0.00 C ATOM 914 CD GLN A 60 67.396 2.651 -7.313 1.00 0.00 C ATOM 915 OE1 GLN A 60 68.372 2.090 -7.769 1.00 0.00 O ATOM 916 NE2 GLN A 60 67.380 3.020 -6.061 1.00 0.00 N ATOM 0 H GLN A 60 63.166 2.745 -6.125 1.00 0.00 H new ATOM 0 HA GLN A 60 63.928 3.664 -8.775 1.00 0.00 H new ATOM 0 HB2 GLN A 60 64.990 2.090 -6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 60 65.047 1.102 -8.047 1.00 0.00 H new ATOM 0 HG2 GLN A 60 66.396 2.674 -9.229 1.00 0.00 H new ATOM 0 HG3 GLN A 60 65.945 4.001 -8.177 1.00 0.00 H new ATOM 0 HE21 GLN A 60 66.560 3.491 -5.679 1.00 0.00 H new ATOM 0 HE22 GLN A 60 68.187 2.837 -5.465 1.00 0.00 H new ATOM 925 N LEU A 61 62.093 1.005 -8.414 1.00 0.00 N ATOM 926 CA LEU A 61 61.307 0.003 -9.163 1.00 0.00 C ATOM 927 C LEU A 61 60.299 0.753 -10.023 1.00 0.00 C ATOM 928 O LEU A 61 59.944 0.330 -11.106 1.00 0.00 O ATOM 929 CB LEU A 61 60.581 -0.891 -8.160 1.00 0.00 C ATOM 930 CG LEU A 61 61.574 -1.818 -7.470 1.00 0.00 C ATOM 931 CD1 LEU A 61 60.813 -2.915 -6.720 1.00 0.00 C ATOM 932 CD2 LEU A 61 62.499 -2.457 -8.510 1.00 0.00 C ATOM 0 H LEU A 61 61.913 1.032 -7.410 1.00 0.00 H new ATOM 0 HA LEU A 61 61.946 -0.614 -9.795 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.069 -0.278 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 61 59.818 -1.478 -8.670 1.00 0.00 H new ATOM 0 HG LEU A 61 62.172 -1.241 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 61 61.523 -3.578 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 61 60.162 -2.461 -5.973 1.00 0.00 H new ATOM 0 HD13 LEU A 61 60.212 -3.488 -7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 61 63.206 -3.119 -8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 61 61.905 -3.031 -9.221 1.00 0.00 H new ATOM 0 HD23 LEU A 61 63.045 -1.676 -9.040 1.00 0.00 H new ATOM 944 N ARG A 62 59.837 1.873 -9.542 1.00 0.00 N ATOM 945 CA ARG A 62 58.855 2.667 -10.320 1.00 0.00 C ATOM 946 C ARG A 62 59.575 3.751 -11.137 1.00 0.00 C ATOM 947 O ARG A 62 59.015 4.314 -12.057 1.00 0.00 O ATOM 948 CB ARG A 62 57.855 3.324 -9.364 1.00 0.00 C ATOM 949 CG ARG A 62 58.596 4.275 -8.424 1.00 0.00 C ATOM 950 CD ARG A 62 57.595 4.984 -7.508 1.00 0.00 C ATOM 951 NE ARG A 62 56.882 3.982 -6.664 1.00 0.00 N ATOM 952 CZ ARG A 62 55.786 3.424 -7.099 1.00 0.00 C ATOM 953 NH1 ARG A 62 54.751 4.163 -7.388 1.00 0.00 N ATOM 954 NH2 ARG A 62 55.726 2.129 -7.245 1.00 0.00 N ATOM 0 H ARG A 62 60.100 2.271 -8.641 1.00 0.00 H new ATOM 0 HA ARG A 62 58.326 2.003 -11.004 1.00 0.00 H new ATOM 0 HB2 ARG A 62 57.100 3.870 -9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 62 57.332 2.561 -8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 62 59.319 3.720 -7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 62 59.157 5.009 -9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 62 58.114 5.703 -6.874 1.00 0.00 H new ATOM 0 HD3 ARG A 62 56.877 5.546 -8.105 1.00 0.00 H new ATOM 0 HE ARG A 62 57.251 3.733 -5.746 1.00 0.00 H new ATOM 0 HH11 ARG A 62 54.799 5.175 -7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 62 53.893 3.729 -7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 62 56.536 1.552 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 62 54.869 1.693 -7.585 1.00 0.00 H new ATOM 968 N ALA A 63 60.810 4.054 -10.816 1.00 0.00 N ATOM 969 CA ALA A 63 61.542 5.101 -11.583 1.00 0.00 C ATOM 970 C ALA A 63 62.480 4.435 -12.593 1.00 0.00 C ATOM 971 O ALA A 63 63.164 5.098 -13.347 1.00 0.00 O ATOM 972 CB ALA A 63 62.360 5.960 -10.616 1.00 0.00 C ATOM 0 H ALA A 63 61.338 3.621 -10.058 1.00 0.00 H new ATOM 0 HA ALA A 63 60.827 5.729 -12.114 1.00 0.00 H new ATOM 0 HB1 ALA A 63 62.896 6.727 -11.175 1.00 0.00 H new ATOM 0 HB2 ALA A 63 61.692 6.435 -9.897 1.00 0.00 H new ATOM 0 HB3 ALA A 63 63.075 5.331 -10.086 1.00 0.00 H new ATOM 978 N ASN A 64 62.520 3.131 -12.613 1.00 0.00 N ATOM 979 CA ASN A 64 63.416 2.430 -13.574 1.00 0.00 C ATOM 980 C ASN A 64 62.572 1.630 -14.566 1.00 0.00 C ATOM 981 O ASN A 64 62.757 1.715 -15.764 1.00 0.00 O ATOM 982 CB ASN A 64 64.342 1.481 -12.811 1.00 0.00 C ATOM 983 CG ASN A 64 65.591 1.204 -13.650 1.00 0.00 C ATOM 984 OD1 ASN A 64 65.950 1.992 -14.503 1.00 0.00 O ATOM 985 ND2 ASN A 64 66.271 0.110 -13.446 1.00 0.00 N ATOM 0 H ASN A 64 61.972 2.522 -12.006 1.00 0.00 H new ATOM 0 HA ASN A 64 64.014 3.164 -14.114 1.00 0.00 H new ATOM 0 HB2 ASN A 64 64.624 1.921 -11.854 1.00 0.00 H new ATOM 0 HB3 ASN A 64 63.823 0.548 -12.592 1.00 0.00 H new ATOM 0 HD21 ASN A 64 67.104 -0.084 -14.002 1.00 0.00 H new ATOM 0 HD22 ASN A 64 65.970 -0.552 -12.730 1.00 0.00 H new ATOM 992 N ILE A 65 61.646 0.850 -14.079 1.00 0.00 N ATOM 993 CA ILE A 65 60.795 0.046 -15.000 1.00 0.00 C ATOM 994 C ILE A 65 59.434 0.726 -15.164 1.00 0.00 C ATOM 995 O ILE A 65 59.290 1.914 -14.948 1.00 0.00 O ATOM 996 CB ILE A 65 60.594 -1.361 -14.428 1.00 0.00 C ATOM 997 CG1 ILE A 65 61.802 -1.750 -13.571 1.00 0.00 C ATOM 998 CG2 ILE A 65 60.449 -2.360 -15.578 1.00 0.00 C ATOM 999 CD1 ILE A 65 61.437 -1.623 -12.091 1.00 0.00 C ATOM 0 H ILE A 65 61.443 0.735 -13.086 1.00 0.00 H new ATOM 0 HA ILE A 65 61.288 -0.026 -15.970 1.00 0.00 H new ATOM 0 HB ILE A 65 59.695 -1.374 -13.812 1.00 0.00 H new ATOM 0 HG12 ILE A 65 62.107 -2.772 -13.795 1.00 0.00 H new ATOM 0 HG13 ILE A 65 62.650 -1.106 -13.804 1.00 0.00 H new ATOM 0 HG21 ILE A 65 60.306 -3.362 -15.174 1.00 0.00 H new ATOM 0 HG22 ILE A 65 59.588 -2.089 -16.189 1.00 0.00 H new ATOM 0 HG23 ILE A 65 61.350 -2.342 -16.192 1.00 0.00 H new ATOM 0 HD11 ILE A 65 62.296 -1.900 -11.479 1.00 0.00 H new ATOM 0 HD12 ILE A 65 61.153 -0.593 -11.873 1.00 0.00 H new ATOM 0 HD13 ILE A 65 60.602 -2.285 -11.864 1.00 0.00 H new ATOM 1011 N SER A 66 58.434 -0.019 -15.546 1.00 0.00 N ATOM 1012 CA SER A 66 57.080 0.572 -15.730 1.00 0.00 C ATOM 1013 C SER A 66 56.111 -0.517 -16.196 1.00 0.00 C ATOM 1014 O SER A 66 55.191 -0.262 -16.947 1.00 0.00 O ATOM 1015 CB SER A 66 57.148 1.680 -16.781 1.00 0.00 C ATOM 1016 OG SER A 66 57.036 2.943 -16.141 1.00 0.00 O ATOM 0 H SER A 66 58.498 -1.018 -15.740 1.00 0.00 H new ATOM 0 HA SER A 66 56.731 0.989 -14.785 1.00 0.00 H new ATOM 0 HB2 SER A 66 58.088 1.620 -17.329 1.00 0.00 H new ATOM 0 HB3 SER A 66 56.346 1.556 -17.509 1.00 0.00 H new ATOM 0 HG SER A 66 57.758 3.043 -15.486 1.00 0.00 H new ATOM 1022 N HIS A 67 56.312 -1.730 -15.759 1.00 0.00 N ATOM 1023 CA HIS A 67 55.406 -2.836 -16.178 1.00 0.00 C ATOM 1024 C HIS A 67 55.450 -3.949 -15.128 1.00 0.00 C ATOM 1025 O HIS A 67 55.507 -3.685 -13.948 1.00 0.00 O ATOM 1026 CB HIS A 67 55.863 -3.379 -17.533 1.00 0.00 C ATOM 1027 CG HIS A 67 54.672 -3.899 -18.292 1.00 0.00 C ATOM 1028 ND1 HIS A 67 53.437 -4.082 -17.691 1.00 0.00 N ATOM 1029 CD2 HIS A 67 54.513 -4.280 -19.600 1.00 0.00 C ATOM 1030 CE1 HIS A 67 52.596 -4.554 -18.629 1.00 0.00 C ATOM 1031 NE2 HIS A 67 53.201 -4.693 -19.812 1.00 0.00 N ATOM 0 H HIS A 67 57.066 -2.003 -15.129 1.00 0.00 H new ATOM 0 HA HIS A 67 54.385 -2.465 -16.267 1.00 0.00 H new ATOM 0 HB2 HIS A 67 56.357 -2.593 -18.104 1.00 0.00 H new ATOM 0 HB3 HIS A 67 56.593 -4.176 -17.390 1.00 0.00 H new ATOM 0 HD2 HIS A 67 55.288 -4.262 -20.352 1.00 0.00 H new ATOM 0 HE1 HIS A 67 51.558 -4.792 -18.448 1.00 0.00 H new ATOM 0 HE2 HIS A 67 52.790 -5.029 -20.683 1.00 0.00 H new ATOM 1039 N LYS A 68 55.419 -5.189 -15.541 1.00 0.00 N ATOM 1040 CA LYS A 68 55.460 -6.309 -14.554 1.00 0.00 C ATOM 1041 C LYS A 68 56.382 -5.941 -13.387 1.00 0.00 C ATOM 1042 O LYS A 68 56.011 -6.019 -12.237 1.00 0.00 O ATOM 1043 CB LYS A 68 55.990 -7.568 -15.243 1.00 0.00 C ATOM 1044 CG LYS A 68 54.938 -8.675 -15.168 1.00 0.00 C ATOM 1045 CD LYS A 68 53.701 -8.260 -15.969 1.00 0.00 C ATOM 1046 CE LYS A 68 53.187 -9.457 -16.771 1.00 0.00 C ATOM 1047 NZ LYS A 68 53.585 -9.306 -18.200 1.00 0.00 N ATOM 0 H LYS A 68 55.367 -5.475 -16.519 1.00 0.00 H new ATOM 0 HA LYS A 68 54.455 -6.491 -14.173 1.00 0.00 H new ATOM 0 HB2 LYS A 68 56.231 -7.351 -16.284 1.00 0.00 H new ATOM 0 HB3 LYS A 68 56.913 -7.896 -14.764 1.00 0.00 H new ATOM 0 HG2 LYS A 68 55.345 -9.605 -15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 68 54.666 -8.863 -14.129 1.00 0.00 H new ATOM 0 HD2 LYS A 68 52.923 -7.899 -15.296 1.00 0.00 H new ATOM 0 HD3 LYS A 68 53.949 -7.438 -16.641 1.00 0.00 H new ATOM 0 HE2 LYS A 68 53.595 -10.383 -16.365 1.00 0.00 H new ATOM 0 HE3 LYS A 68 52.102 -9.524 -16.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 53.236 -10.120 -18.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 53.176 -8.430 -18.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 54.622 -9.262 -18.269 1.00 0.00 H new ATOM 1061 N ASP A 69 57.574 -5.508 -13.679 1.00 0.00 N ATOM 1062 CA ASP A 69 58.510 -5.120 -12.607 1.00 0.00 C ATOM 1063 C ASP A 69 57.930 -3.922 -11.881 1.00 0.00 C ATOM 1064 O ASP A 69 57.763 -3.957 -10.694 1.00 0.00 O ATOM 1065 CB ASP A 69 59.866 -4.752 -13.211 1.00 0.00 C ATOM 1066 CG ASP A 69 60.985 -5.267 -12.304 1.00 0.00 C ATOM 1067 OD1 ASP A 69 60.969 -4.937 -11.131 1.00 0.00 O ATOM 1068 OD2 ASP A 69 61.839 -5.983 -12.800 1.00 0.00 O ATOM 0 H ASP A 69 57.938 -5.407 -14.627 1.00 0.00 H new ATOM 0 HA ASP A 69 58.651 -5.949 -11.913 1.00 0.00 H new ATOM 0 HB2 ASP A 69 59.962 -5.185 -14.207 1.00 0.00 H new ATOM 0 HB3 ASP A 69 59.944 -3.671 -13.325 1.00 0.00 H new ATOM 1073 N MET A 70 57.615 -2.871 -12.598 1.00 0.00 N ATOM 1074 CA MET A 70 57.034 -1.653 -11.954 1.00 0.00 C ATOM 1075 C MET A 70 55.600 -1.946 -11.489 1.00 0.00 C ATOM 1076 O MET A 70 55.340 -2.092 -10.314 1.00 0.00 O ATOM 1077 CB MET A 70 57.025 -0.506 -12.968 1.00 0.00 C ATOM 1078 CG MET A 70 56.651 0.797 -12.265 1.00 0.00 C ATOM 1079 SD MET A 70 54.856 1.020 -12.322 1.00 0.00 S ATOM 1080 CE MET A 70 54.841 2.414 -13.476 1.00 0.00 C ATOM 0 H MET A 70 57.737 -2.805 -13.609 1.00 0.00 H new ATOM 0 HA MET A 70 57.637 -1.373 -11.090 1.00 0.00 H new ATOM 0 HB2 MET A 70 58.006 -0.411 -13.433 1.00 0.00 H new ATOM 0 HB3 MET A 70 56.313 -0.718 -13.766 1.00 0.00 H new ATOM 0 HG2 MET A 70 56.993 0.775 -11.230 1.00 0.00 H new ATOM 0 HG3 MET A 70 57.148 1.639 -12.747 1.00 0.00 H new ATOM 0 HE1 MET A 70 54.064 3.120 -13.183 1.00 0.00 H new ATOM 0 HE2 MET A 70 55.810 2.912 -13.457 1.00 0.00 H new ATOM 0 HE3 MET A 70 54.639 2.050 -14.484 1.00 0.00 H new ATOM 1090 N GLN A 71 54.669 -2.022 -12.404 1.00 0.00 N ATOM 1091 CA GLN A 71 53.255 -2.304 -12.019 1.00 0.00 C ATOM 1092 C GLN A 71 53.214 -3.331 -10.879 1.00 0.00 C ATOM 1093 O GLN A 71 52.426 -3.214 -9.961 1.00 0.00 O ATOM 1094 CB GLN A 71 52.504 -2.864 -13.230 1.00 0.00 C ATOM 1095 CG GLN A 71 51.051 -3.151 -12.845 1.00 0.00 C ATOM 1096 CD GLN A 71 50.354 -3.878 -13.996 1.00 0.00 C ATOM 1097 OE1 GLN A 71 49.451 -4.661 -13.777 1.00 0.00 O ATOM 1098 NE2 GLN A 71 50.738 -3.651 -15.221 1.00 0.00 N ATOM 0 H GLN A 71 54.828 -1.900 -13.404 1.00 0.00 H new ATOM 0 HA GLN A 71 52.785 -1.379 -11.684 1.00 0.00 H new ATOM 0 HB2 GLN A 71 52.539 -2.151 -14.054 1.00 0.00 H new ATOM 0 HB3 GLN A 71 52.986 -3.777 -13.579 1.00 0.00 H new ATOM 0 HG2 GLN A 71 51.016 -3.760 -11.942 1.00 0.00 H new ATOM 0 HG3 GLN A 71 50.532 -2.219 -12.621 1.00 0.00 H new ATOM 0 HE21 GLN A 71 51.496 -2.994 -15.404 1.00 0.00 H new ATOM 0 HE22 GLN A 71 50.280 -4.131 -15.996 1.00 0.00 H new ATOM 1107 N LEU A 72 54.053 -4.334 -10.922 1.00 0.00 N ATOM 1108 CA LEU A 72 54.049 -5.352 -9.832 1.00 0.00 C ATOM 1109 C LEU A 72 55.241 -5.105 -8.908 1.00 0.00 C ATOM 1110 O LEU A 72 55.095 -4.581 -7.821 1.00 0.00 O ATOM 1111 CB LEU A 72 54.143 -6.750 -10.450 1.00 0.00 C ATOM 1112 CG LEU A 72 52.853 -7.503 -10.183 1.00 0.00 C ATOM 1113 CD1 LEU A 72 51.706 -6.711 -10.792 1.00 0.00 C ATOM 1114 CD2 LEU A 72 52.917 -8.887 -10.835 1.00 0.00 C ATOM 0 H LEU A 72 54.737 -4.491 -11.662 1.00 0.00 H new ATOM 0 HA LEU A 72 53.128 -5.277 -9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 72 54.318 -6.675 -11.523 1.00 0.00 H new ATOM 0 HB3 LEU A 72 54.988 -7.292 -10.026 1.00 0.00 H new ATOM 0 HG LEU A 72 52.705 -7.624 -9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 72 50.767 -7.234 -10.612 1.00 0.00 H new ATOM 0 HD12 LEU A 72 51.664 -5.722 -10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 72 51.864 -6.608 -11.866 1.00 0.00 H new ATOM 0 HD21 LEU A 72 51.989 -9.424 -10.641 1.00 0.00 H new ATOM 0 HD22 LEU A 72 53.054 -8.776 -11.911 1.00 0.00 H new ATOM 0 HD23 LEU A 72 53.754 -9.447 -10.418 1.00 0.00 H new ATOM 1126 N GLY A 73 56.410 -5.479 -9.338 1.00 0.00 N ATOM 1127 CA GLY A 73 57.637 -5.279 -8.514 1.00 0.00 C ATOM 1128 C GLY A 73 57.536 -3.959 -7.750 1.00 0.00 C ATOM 1129 O GLY A 73 57.845 -3.893 -6.578 1.00 0.00 O ATOM 0 H GLY A 73 56.573 -5.923 -10.242 1.00 0.00 H new ATOM 0 HA2 GLY A 73 57.756 -6.107 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 73 58.519 -5.273 -9.154 1.00 0.00 H new ATOM 1133 N ARG A 74 57.089 -2.921 -8.419 1.00 0.00 N ATOM 1134 CA ARG A 74 56.935 -1.575 -7.774 1.00 0.00 C ATOM 1135 C ARG A 74 57.885 -1.426 -6.583 1.00 0.00 C ATOM 1136 O ARG A 74 58.083 -0.344 -6.066 1.00 0.00 O ATOM 1137 CB ARG A 74 55.487 -1.395 -7.302 1.00 0.00 C ATOM 1138 CG ARG A 74 55.111 -2.500 -6.308 1.00 0.00 C ATOM 1139 CD ARG A 74 54.902 -1.886 -4.922 1.00 0.00 C ATOM 1140 NE ARG A 74 54.224 -2.875 -4.034 1.00 0.00 N ATOM 1141 CZ ARG A 74 52.920 -2.938 -4.003 1.00 0.00 C ATOM 1142 NH1 ARG A 74 52.221 -2.497 -5.013 1.00 0.00 N ATOM 1143 NH2 ARG A 74 52.316 -3.443 -2.962 1.00 0.00 N ATOM 0 H ARG A 74 56.820 -2.950 -9.402 1.00 0.00 H new ATOM 0 HA ARG A 74 57.183 -0.810 -8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 74 55.369 -0.418 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 74 54.812 -1.421 -8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 74 54.202 -3.005 -6.635 1.00 0.00 H new ATOM 0 HG3 ARG A 74 55.898 -3.253 -6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 74 55.861 -1.595 -4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 74 54.300 -0.981 -5.001 1.00 0.00 H new ATOM 0 HE ARG A 74 54.779 -3.502 -3.451 1.00 0.00 H new ATOM 0 HH11 ARG A 74 52.693 -2.103 -5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 74 51.202 -2.546 -4.989 1.00 0.00 H new ATOM 0 HH21 ARG A 74 52.862 -3.788 -2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 74 51.297 -3.492 -2.937 1.00 0.00 H new TER 1157 ARG A 74