USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 29 THR OG1 : rot 86:sc= 1.16 USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= -1.23! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.2!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0607 USER MOD Single : A 16 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.027) USER MOD Single : A 20 MET CE :methyl 149:sc= -0.127 (180deg=-0.854) USER MOD Single : A 22 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.177) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 114:sc= -2.52 USER MOD Single : A 32 CYS SG : rot 80:sc= 0.584 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.264 X(o=-0.26,f=-0.038) USER MOD Single : A 45 ASN : amide:sc= -0.588 K(o=-0.59,f=-1.4) USER MOD Single : A 48 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.2) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0123 USER MOD Single : A 51 THR OG1 : rot -28:sc= 1.16 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 112:sc= -2.04 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 73 THR OG1 : rot -80:sc= -0.937 USER MOD Single : A 76 LYS NZ :NH3+ 161:sc= 1.04 (180deg=0.683) USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= 0.172 (180deg=0.134) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.908 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.2) USER MOD Single : A 90 LYS NZ :NH3+ 176:sc= 0.355 (180deg=0.349) USER MOD Single : A 91 TYR OH : rot 180:sc= -1.28 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -107:sc= -0.285 USER MOD Single : A 96 SER OG : rot 180:sc= -1.06 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.579 11.317 -7.632 1.00 0.00 N ATOM 2 CA GLY A 1 -21.377 10.771 -9.003 1.00 0.00 C ATOM 3 C GLY A 1 -21.830 9.330 -9.125 1.00 0.00 C ATOM 4 O GLY A 1 -21.024 8.406 -9.012 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.254 12.304 -7.600 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.589 11.277 -7.388 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.035 10.751 -6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.926 11.383 -9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.322 10.841 -9.267 1.00 0.00 H new ATOM 10 N ILE A 2 -23.124 9.136 -9.356 1.00 0.00 N ATOM 11 CA ILE A 2 -23.684 7.797 -9.495 1.00 0.00 C ATOM 12 C ILE A 2 -23.473 7.246 -10.906 1.00 0.00 C ATOM 13 O ILE A 2 -23.067 6.094 -11.071 1.00 0.00 O ATOM 14 CB ILE A 2 -25.191 7.771 -9.166 1.00 0.00 C ATOM 15 CG1 ILE A 2 -25.481 8.608 -7.918 1.00 0.00 C ATOM 16 CG2 ILE A 2 -25.665 6.338 -8.971 1.00 0.00 C ATOM 17 CD1 ILE A 2 -25.964 10.008 -8.227 1.00 0.00 C ATOM 0 H ILE A 2 -23.805 9.890 -9.451 1.00 0.00 H new ATOM 0 HA ILE A 2 -23.155 7.167 -8.780 1.00 0.00 H new ATOM 0 HB ILE A 2 -25.737 8.204 -10.004 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -26.232 8.098 -7.315 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -24.576 8.670 -7.314 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -26.730 6.335 -8.739 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -25.491 5.770 -9.885 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -25.114 5.881 -8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -26.149 10.543 -7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -25.204 10.536 -8.804 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -26.887 9.955 -8.805 1.00 0.00 H new ATOM 29 N PRO A 3 -23.739 8.057 -11.947 1.00 0.00 N ATOM 30 CA PRO A 3 -23.567 7.628 -13.339 1.00 0.00 C ATOM 31 C PRO A 3 -22.165 7.097 -13.612 1.00 0.00 C ATOM 32 O PRO A 3 -21.176 7.662 -13.147 1.00 0.00 O ATOM 33 CB PRO A 3 -23.821 8.905 -14.146 1.00 0.00 C ATOM 34 CG PRO A 3 -24.664 9.754 -13.259 1.00 0.00 C ATOM 35 CD PRO A 3 -24.223 9.448 -11.855 1.00 0.00 C ATOM 0 HA PRO A 3 -24.238 6.808 -13.595 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -22.886 9.405 -14.400 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -24.330 8.685 -15.084 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -24.531 10.811 -13.489 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -25.722 9.529 -13.394 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -23.437 10.126 -11.523 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -25.045 9.542 -11.146 1.00 0.00 H new ATOM 43 N GLU A 4 -22.086 6.009 -14.370 1.00 0.00 N ATOM 44 CA GLU A 4 -20.802 5.402 -14.704 1.00 0.00 C ATOM 45 C GLU A 4 -20.874 4.676 -16.044 1.00 0.00 C ATOM 46 O GLU A 4 -21.828 3.948 -16.316 1.00 0.00 O ATOM 47 CB GLU A 4 -20.374 4.427 -13.605 1.00 0.00 C ATOM 48 CG GLU A 4 -19.919 5.112 -12.327 1.00 0.00 C ATOM 49 CD GLU A 4 -19.634 4.129 -11.208 1.00 0.00 C ATOM 50 OE1 GLU A 4 -20.470 3.228 -10.984 1.00 0.00 O ATOM 51 OE2 GLU A 4 -18.577 4.260 -10.557 1.00 0.00 O ATOM 0 H GLU A 4 -22.895 5.529 -14.765 1.00 0.00 H new ATOM 0 HA GLU A 4 -20.062 6.198 -14.783 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -21.208 3.764 -13.375 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -19.564 3.802 -13.981 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -19.021 5.695 -12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -20.687 5.814 -12.002 1.00 0.00 H new ATOM 58 N PHE A 5 -19.858 4.880 -16.877 1.00 0.00 N ATOM 59 CA PHE A 5 -19.806 4.245 -18.189 1.00 0.00 C ATOM 60 C PHE A 5 -19.583 2.741 -18.055 1.00 0.00 C ATOM 61 O PHE A 5 -20.106 1.954 -18.843 1.00 0.00 O ATOM 62 CB PHE A 5 -18.694 4.870 -19.034 1.00 0.00 C ATOM 63 CG PHE A 5 -19.202 5.628 -20.228 1.00 0.00 C ATOM 64 CD1 PHE A 5 -19.662 6.929 -20.094 1.00 0.00 C ATOM 65 CD2 PHE A 5 -19.217 5.042 -21.483 1.00 0.00 C ATOM 66 CE1 PHE A 5 -20.129 7.630 -21.189 1.00 0.00 C ATOM 67 CE2 PHE A 5 -19.684 5.738 -22.582 1.00 0.00 C ATOM 68 CZ PHE A 5 -20.139 7.033 -22.434 1.00 0.00 C ATOM 0 H PHE A 5 -19.060 5.480 -16.667 1.00 0.00 H new ATOM 0 HA PHE A 5 -20.762 4.407 -18.686 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -18.108 5.544 -18.408 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -18.020 4.083 -19.373 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -19.655 7.400 -19.122 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -18.860 4.030 -21.604 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -20.485 8.643 -21.071 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -19.693 5.270 -23.555 1.00 0.00 H new ATOM 0 HZ PHE A 5 -20.503 7.579 -23.292 1.00 0.00 H new ATOM 78 N LYS A 6 -18.802 2.351 -17.053 1.00 0.00 N ATOM 79 CA LYS A 6 -18.509 0.942 -16.816 1.00 0.00 C ATOM 80 C LYS A 6 -19.414 0.375 -15.727 1.00 0.00 C ATOM 81 O LYS A 6 -20.212 1.096 -15.130 1.00 0.00 O ATOM 82 CB LYS A 6 -17.040 0.764 -16.425 1.00 0.00 C ATOM 83 CG LYS A 6 -16.353 -0.385 -17.145 1.00 0.00 C ATOM 84 CD LYS A 6 -15.023 -0.731 -16.498 1.00 0.00 C ATOM 85 CE LYS A 6 -14.041 -1.297 -17.510 1.00 0.00 C ATOM 86 NZ LYS A 6 -12.655 -0.809 -17.273 1.00 0.00 N ATOM 0 H LYS A 6 -18.361 2.991 -16.392 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.698 0.395 -17.740 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.502 1.688 -16.637 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.977 0.598 -15.350 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.002 -1.261 -17.137 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.192 -0.117 -18.189 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.598 0.161 -16.037 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -15.183 -1.456 -15.700 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.056 -2.386 -17.460 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.356 -1.020 -18.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -12.016 -1.218 -17.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.635 0.228 -17.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.344 -1.095 -16.323 1.00 0.00 H new ATOM 100 N GLN A 7 -19.281 -0.924 -15.471 1.00 0.00 N ATOM 101 CA GLN A 7 -20.087 -1.588 -14.454 1.00 0.00 C ATOM 102 C GLN A 7 -19.208 -2.402 -13.511 1.00 0.00 C ATOM 103 O GLN A 7 -17.987 -2.455 -13.671 1.00 0.00 O ATOM 104 CB GLN A 7 -21.128 -2.497 -15.110 1.00 0.00 C ATOM 105 CG GLN A 7 -22.438 -1.794 -15.424 1.00 0.00 C ATOM 106 CD GLN A 7 -22.435 -1.139 -16.791 1.00 0.00 C ATOM 107 OE1 GLN A 7 -21.570 -1.414 -17.622 1.00 0.00 O ATOM 108 NE2 GLN A 7 -23.406 -0.265 -17.031 1.00 0.00 N ATOM 0 H GLN A 7 -18.623 -1.536 -15.954 1.00 0.00 H new ATOM 0 HA GLN A 7 -20.599 -0.820 -13.874 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -20.713 -2.904 -16.032 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -21.328 -3.342 -14.451 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -23.254 -2.515 -15.372 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -22.632 -1.038 -14.663 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -24.103 -0.067 -16.313 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -23.455 0.208 -17.933 1.00 0.00 H new ATOM 117 N LYS A 8 -19.834 -3.034 -12.524 1.00 0.00 N ATOM 118 CA LYS A 8 -19.109 -3.846 -11.553 1.00 0.00 C ATOM 119 C LYS A 8 -19.215 -5.328 -11.897 1.00 0.00 C ATOM 120 O LYS A 8 -20.261 -5.947 -11.704 1.00 0.00 O ATOM 121 CB LYS A 8 -19.649 -3.596 -10.143 1.00 0.00 C ATOM 122 CG LYS A 8 -18.841 -2.579 -9.354 1.00 0.00 C ATOM 123 CD LYS A 8 -19.723 -1.778 -8.409 1.00 0.00 C ATOM 124 CE LYS A 8 -19.038 -1.541 -7.074 1.00 0.00 C ATOM 125 NZ LYS A 8 -19.888 -0.743 -6.147 1.00 0.00 N ATOM 0 H LYS A 8 -20.842 -3.000 -12.375 1.00 0.00 H new ATOM 0 HA LYS A 8 -18.058 -3.558 -11.587 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.681 -3.252 -10.214 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -19.664 -4.539 -9.596 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.067 -3.092 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -18.335 -1.902 -10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.972 -0.820 -8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.662 -2.308 -8.248 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.799 -2.500 -6.613 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -18.093 -1.022 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.385 -0.603 -5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.095 0.182 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -20.779 -1.250 -5.970 1.00 0.00 H new ATOM 139 N ALA A 9 -18.124 -5.891 -12.409 1.00 0.00 N ATOM 140 CA ALA A 9 -18.096 -7.301 -12.780 1.00 0.00 C ATOM 141 C ALA A 9 -18.181 -8.195 -11.547 1.00 0.00 C ATOM 142 O ALA A 9 -18.732 -9.294 -11.602 1.00 0.00 O ATOM 143 CB ALA A 9 -16.834 -7.610 -13.572 1.00 0.00 C ATOM 0 H ALA A 9 -17.250 -5.393 -12.576 1.00 0.00 H new ATOM 0 HA ALA A 9 -18.965 -7.506 -13.405 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -16.824 -8.666 -13.843 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.814 -7.002 -14.477 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.958 -7.384 -12.964 1.00 0.00 H new ATOM 149 N LEU A 10 -17.632 -7.715 -10.436 1.00 0.00 N ATOM 150 CA LEU A 10 -17.647 -8.469 -9.188 1.00 0.00 C ATOM 151 C LEU A 10 -18.457 -7.740 -8.120 1.00 0.00 C ATOM 152 O LEU A 10 -18.218 -6.567 -7.841 1.00 0.00 O ATOM 153 CB LEU A 10 -16.218 -8.703 -8.692 1.00 0.00 C ATOM 154 CG LEU A 10 -16.102 -9.566 -7.434 1.00 0.00 C ATOM 155 CD1 LEU A 10 -15.127 -10.713 -7.656 1.00 0.00 C ATOM 156 CD2 LEU A 10 -15.671 -8.723 -6.242 1.00 0.00 C ATOM 0 H LEU A 10 -17.171 -6.807 -10.375 1.00 0.00 H new ATOM 0 HA LEU A 10 -18.120 -9.432 -9.380 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.645 -9.173 -9.491 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -15.755 -7.736 -8.495 1.00 0.00 H new ATOM 0 HG LEU A 10 -17.084 -9.988 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -15.060 -11.314 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.479 -11.336 -8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.143 -10.312 -7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.594 -9.356 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -14.702 -8.269 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -16.408 -7.940 -6.065 1.00 0.00 H new ATOM 168 N VAL A 11 -19.415 -8.445 -7.529 1.00 0.00 N ATOM 169 CA VAL A 11 -20.261 -7.863 -6.492 1.00 0.00 C ATOM 170 C VAL A 11 -19.879 -8.386 -5.111 1.00 0.00 C ATOM 171 O VAL A 11 -19.040 -9.278 -4.985 1.00 0.00 O ATOM 172 CB VAL A 11 -21.748 -8.166 -6.747 1.00 0.00 C ATOM 173 CG1 VAL A 11 -22.243 -7.415 -7.975 1.00 0.00 C ATOM 174 CG2 VAL A 11 -21.970 -9.662 -6.903 1.00 0.00 C ATOM 0 H VAL A 11 -19.626 -9.418 -7.749 1.00 0.00 H new ATOM 0 HA VAL A 11 -20.105 -6.785 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 11 -22.322 -7.826 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -23.296 -7.641 -8.140 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -22.122 -6.343 -7.819 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -21.665 -7.722 -8.847 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -23.027 -9.856 -7.083 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -21.385 -10.031 -7.746 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -21.657 -10.173 -5.993 1.00 0.00 H new ATOM 184 N ALA A 12 -20.500 -7.824 -4.079 1.00 0.00 N ATOM 185 CA ALA A 12 -20.225 -8.233 -2.708 1.00 0.00 C ATOM 186 C ALA A 12 -21.279 -7.685 -1.752 1.00 0.00 C ATOM 187 O ALA A 12 -22.187 -6.960 -2.162 1.00 0.00 O ATOM 188 CB ALA A 12 -18.839 -7.773 -2.288 1.00 0.00 C ATOM 0 H ALA A 12 -21.197 -7.084 -4.167 1.00 0.00 H new ATOM 0 HA ALA A 12 -20.262 -9.321 -2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.647 -8.086 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -18.093 -8.216 -2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.781 -6.687 -2.353 1.00 0.00 H new ATOM 194 N LYS A 13 -21.154 -8.036 -0.476 1.00 0.00 N ATOM 195 CA LYS A 13 -22.095 -7.578 0.538 1.00 0.00 C ATOM 196 C LYS A 13 -21.366 -7.164 1.813 1.00 0.00 C ATOM 197 O LYS A 13 -21.904 -7.282 2.914 1.00 0.00 O ATOM 198 CB LYS A 13 -23.113 -8.677 0.853 1.00 0.00 C ATOM 199 CG LYS A 13 -23.910 -9.132 -0.358 1.00 0.00 C ATOM 200 CD LYS A 13 -24.436 -10.548 -0.179 1.00 0.00 C ATOM 201 CE LYS A 13 -25.212 -11.015 -1.401 1.00 0.00 C ATOM 202 NZ LYS A 13 -24.444 -12.012 -2.198 1.00 0.00 N ATOM 0 H LYS A 13 -20.410 -8.636 -0.120 1.00 0.00 H new ATOM 0 HA LYS A 13 -22.619 -6.708 0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -22.590 -9.534 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -23.802 -8.315 1.616 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -24.745 -8.451 -0.522 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.281 -9.086 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.602 -11.226 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -25.080 -10.589 0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -26.158 -11.454 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.453 -10.157 -2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.007 -12.305 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.553 -11.585 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.236 -12.842 -1.607 1.00 0.00 H new ATOM 216 N VAL A 14 -20.137 -6.679 1.655 1.00 0.00 N ATOM 217 CA VAL A 14 -19.335 -6.249 2.794 1.00 0.00 C ATOM 218 C VAL A 14 -18.338 -5.170 2.385 1.00 0.00 C ATOM 219 O VAL A 14 -17.927 -5.097 1.226 1.00 0.00 O ATOM 220 CB VAL A 14 -18.569 -7.429 3.420 1.00 0.00 C ATOM 221 CG1 VAL A 14 -17.893 -7.001 4.714 1.00 0.00 C ATOM 222 CG2 VAL A 14 -19.503 -8.605 3.660 1.00 0.00 C ATOM 0 H VAL A 14 -19.677 -6.575 0.751 1.00 0.00 H new ATOM 0 HA VAL A 14 -20.026 -5.843 3.533 1.00 0.00 H new ATOM 0 HB VAL A 14 -17.795 -7.747 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.357 -7.848 5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.191 -6.193 4.508 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -18.647 -6.654 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -18.944 -9.429 4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -20.302 -8.303 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -19.934 -8.927 2.712 1.00 0.00 H new ATOM 232 N SER A 15 -17.951 -4.335 3.343 1.00 0.00 N ATOM 233 CA SER A 15 -17.001 -3.260 3.083 1.00 0.00 C ATOM 234 C SER A 15 -15.662 -3.820 2.612 1.00 0.00 C ATOM 235 O SER A 15 -14.752 -4.038 3.412 1.00 0.00 O ATOM 236 CB SER A 15 -16.798 -2.414 4.342 1.00 0.00 C ATOM 237 OG SER A 15 -17.939 -2.466 5.180 1.00 0.00 O ATOM 0 H SER A 15 -18.281 -4.382 4.307 1.00 0.00 H new ATOM 0 HA SER A 15 -17.410 -2.631 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.925 -2.772 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 15 -16.596 -1.380 4.061 1.00 0.00 H new ATOM 0 HG SER A 15 -17.784 -1.919 5.978 1.00 0.00 H new ATOM 243 N GLN A 16 -15.552 -4.053 1.308 1.00 0.00 N ATOM 244 CA GLN A 16 -14.324 -4.589 0.729 1.00 0.00 C ATOM 245 C GLN A 16 -13.224 -3.535 0.709 1.00 0.00 C ATOM 246 O GLN A 16 -12.049 -3.845 0.908 1.00 0.00 O ATOM 247 CB GLN A 16 -14.587 -5.097 -0.690 1.00 0.00 C ATOM 248 CG GLN A 16 -13.397 -5.809 -1.311 1.00 0.00 C ATOM 249 CD GLN A 16 -13.534 -5.975 -2.811 1.00 0.00 C ATOM 250 OE1 GLN A 16 -13.451 -5.004 -3.565 1.00 0.00 O ATOM 251 NE2 GLN A 16 -13.746 -7.209 -3.253 1.00 0.00 N ATOM 0 H GLN A 16 -16.297 -3.880 0.633 1.00 0.00 H new ATOM 0 HA GLN A 16 -13.991 -5.420 1.351 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -15.438 -5.778 -0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.867 -4.255 -1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -12.488 -5.248 -1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.284 -6.790 -0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.808 -7.984 -2.592 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.847 -7.382 -4.253 1.00 0.00 H new ATOM 260 N ARG A 17 -13.610 -2.286 0.465 1.00 0.00 N ATOM 261 CA ARG A 17 -12.654 -1.186 0.418 1.00 0.00 C ATOM 262 C ARG A 17 -12.111 -0.878 1.809 1.00 0.00 C ATOM 263 O ARG A 17 -10.963 -0.458 1.959 1.00 0.00 O ATOM 264 CB ARG A 17 -13.313 0.062 -0.175 1.00 0.00 C ATOM 265 CG ARG A 17 -14.568 0.497 0.563 1.00 0.00 C ATOM 266 CD ARG A 17 -14.727 2.010 0.551 1.00 0.00 C ATOM 267 NE ARG A 17 -15.360 2.483 -0.677 1.00 0.00 N ATOM 268 CZ ARG A 17 -16.669 2.428 -0.907 1.00 0.00 C ATOM 269 NH1 ARG A 17 -17.489 1.919 0.004 1.00 0.00 N ATOM 270 NH2 ARG A 17 -17.161 2.882 -2.051 1.00 0.00 N ATOM 0 H ARG A 17 -14.578 -2.011 0.297 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.821 -1.486 -0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.594 0.881 -0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.564 -0.131 -1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.441 0.035 0.102 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.527 0.143 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.324 2.319 1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.749 2.478 0.658 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.762 2.880 -1.402 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.116 1.567 0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.492 1.879 -0.178 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.536 3.274 -2.755 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.165 2.840 -2.227 1.00 0.00 H new ATOM 284 N GLU A 18 -12.942 -1.087 2.824 1.00 0.00 N ATOM 285 CA GLU A 18 -12.546 -0.831 4.204 1.00 0.00 C ATOM 286 C GLU A 18 -11.728 -1.991 4.763 1.00 0.00 C ATOM 287 O GLU A 18 -10.888 -1.802 5.643 1.00 0.00 O ATOM 288 CB GLU A 18 -13.780 -0.596 5.075 1.00 0.00 C ATOM 289 CG GLU A 18 -13.486 0.173 6.353 1.00 0.00 C ATOM 290 CD GLU A 18 -13.977 1.606 6.299 1.00 0.00 C ATOM 291 OE1 GLU A 18 -15.040 1.848 5.690 1.00 0.00 O ATOM 292 OE2 GLU A 18 -13.295 2.487 6.864 1.00 0.00 O ATOM 0 H GLU A 18 -13.895 -1.433 2.717 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.925 0.065 4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.525 -0.050 4.496 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.221 -1.559 5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.955 -0.336 7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.412 0.168 6.536 1.00 0.00 H new ATOM 299 N GLU A 19 -11.979 -3.191 4.252 1.00 0.00 N ATOM 300 CA GLU A 19 -11.264 -4.378 4.706 1.00 0.00 C ATOM 301 C GLU A 19 -9.894 -4.474 4.043 1.00 0.00 C ATOM 302 O GLU A 19 -8.908 -4.842 4.683 1.00 0.00 O ATOM 303 CB GLU A 19 -12.077 -5.637 4.406 1.00 0.00 C ATOM 304 CG GLU A 19 -11.931 -6.722 5.462 1.00 0.00 C ATOM 305 CD GLU A 19 -13.162 -6.853 6.338 1.00 0.00 C ATOM 306 OE1 GLU A 19 -13.284 -6.081 7.312 1.00 0.00 O ATOM 307 OE2 GLU A 19 -14.006 -7.729 6.049 1.00 0.00 O ATOM 0 H GLU A 19 -12.671 -3.368 3.524 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.122 -4.295 5.784 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.129 -5.367 4.317 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.768 -6.037 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.735 -7.676 4.973 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.066 -6.501 6.088 1.00 0.00 H new ATOM 314 N MET A 20 -9.839 -4.142 2.757 1.00 0.00 N ATOM 315 CA MET A 20 -8.589 -4.192 2.007 1.00 0.00 C ATOM 316 C MET A 20 -7.579 -3.196 2.567 1.00 0.00 C ATOM 317 O MET A 20 -6.412 -3.531 2.772 1.00 0.00 O ATOM 318 CB MET A 20 -8.846 -3.902 0.527 1.00 0.00 C ATOM 319 CG MET A 20 -9.592 -5.016 -0.190 1.00 0.00 C ATOM 320 SD MET A 20 -8.674 -5.683 -1.593 1.00 0.00 S ATOM 321 CE MET A 20 -7.146 -6.169 -0.796 1.00 0.00 C ATOM 0 H MET A 20 -10.645 -3.836 2.213 1.00 0.00 H new ATOM 0 HA MET A 20 -8.174 -5.195 2.105 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.418 -2.978 0.440 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.892 -3.734 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.802 -5.819 0.516 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.553 -4.638 -0.538 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.726 -7.033 -1.311 1.00 0.00 H new ATOM 0 HE2 MET A 20 -6.436 -5.343 -0.835 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.344 -6.428 0.244 1.00 0.00 H new ATOM 331 N VAL A 21 -8.033 -1.971 2.817 1.00 0.00 N ATOM 332 CA VAL A 21 -7.164 -0.933 3.355 1.00 0.00 C ATOM 333 C VAL A 21 -6.612 -1.337 4.717 1.00 0.00 C ATOM 334 O VAL A 21 -5.422 -1.174 4.991 1.00 0.00 O ATOM 335 CB VAL A 21 -7.902 0.416 3.485 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.511 0.815 2.153 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.972 0.351 4.564 1.00 0.00 C ATOM 0 H VAL A 21 -8.996 -1.675 2.656 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.340 -0.813 2.651 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.176 1.174 3.778 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.028 1.768 2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.722 0.912 1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.220 0.051 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.476 1.315 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.698 -0.421 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.509 0.113 5.522 1.00 0.00 H new ATOM 347 N LYS A 22 -7.483 -1.867 5.568 1.00 0.00 N ATOM 348 CA LYS A 22 -7.077 -2.295 6.899 1.00 0.00 C ATOM 349 C LYS A 22 -6.031 -3.401 6.810 1.00 0.00 C ATOM 350 O LYS A 22 -5.056 -3.414 7.563 1.00 0.00 O ATOM 351 CB LYS A 22 -8.288 -2.783 7.696 1.00 0.00 C ATOM 352 CG LYS A 22 -9.251 -1.673 8.081 1.00 0.00 C ATOM 353 CD LYS A 22 -8.658 -0.766 9.148 1.00 0.00 C ATOM 354 CE LYS A 22 -9.389 0.564 9.219 1.00 0.00 C ATOM 355 NZ LYS A 22 -9.030 1.458 8.082 1.00 0.00 N ATOM 0 H LYS A 22 -8.471 -2.010 5.360 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.639 -1.440 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.823 -3.529 7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.940 -3.281 8.601 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.500 -1.084 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.181 -2.108 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.708 -1.262 10.117 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.604 -0.592 8.934 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.465 0.387 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.150 1.060 10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.384 2.418 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.996 1.485 7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.459 1.096 7.207 1.00 0.00 H new ATOM 369 N LYS A 23 -6.241 -4.326 5.877 1.00 0.00 N ATOM 370 CA LYS A 23 -5.318 -5.437 5.680 1.00 0.00 C ATOM 371 C LYS A 23 -3.921 -4.925 5.338 1.00 0.00 C ATOM 372 O LYS A 23 -2.920 -5.565 5.658 1.00 0.00 O ATOM 373 CB LYS A 23 -5.826 -6.359 4.570 1.00 0.00 C ATOM 374 CG LYS A 23 -5.714 -7.836 4.907 1.00 0.00 C ATOM 375 CD LYS A 23 -6.956 -8.602 4.479 1.00 0.00 C ATOM 376 CE LYS A 23 -7.908 -8.819 5.645 1.00 0.00 C ATOM 377 NZ LYS A 23 -7.809 -10.201 6.194 1.00 0.00 N ATOM 0 H LYS A 23 -7.043 -4.327 5.246 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.261 -6.002 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.869 -6.121 4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.264 -6.159 3.658 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.838 -8.257 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.564 -7.955 5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.468 -8.054 3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.664 -9.566 4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.687 -8.099 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.931 -8.631 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.474 -10.308 6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.045 -10.888 5.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.840 -10.373 6.529 1.00 0.00 H new ATOM 391 N CYS A 24 -3.865 -3.767 4.688 1.00 0.00 N ATOM 392 CA CYS A 24 -2.591 -3.167 4.305 1.00 0.00 C ATOM 393 C CYS A 24 -1.820 -2.716 5.541 1.00 0.00 C ATOM 394 O CYS A 24 -0.597 -2.831 5.598 1.00 0.00 O ATOM 395 CB CYS A 24 -2.825 -1.983 3.361 1.00 0.00 C ATOM 396 SG CYS A 24 -1.361 -0.959 3.061 1.00 0.00 S ATOM 0 H CYS A 24 -4.685 -3.226 4.416 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.997 -3.918 3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.189 -2.363 2.406 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.613 -1.355 3.776 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.003 -1.068 1.816 1.00 0.00 H new ATOM 402 N LEU A 25 -2.544 -2.200 6.529 1.00 0.00 N ATOM 403 CA LEU A 25 -1.926 -1.734 7.762 1.00 0.00 C ATOM 404 C LEU A 25 -1.196 -2.871 8.470 1.00 0.00 C ATOM 405 O LEU A 25 -0.075 -2.700 8.949 1.00 0.00 O ATOM 406 CB LEU A 25 -2.978 -1.132 8.693 1.00 0.00 C ATOM 407 CG LEU A 25 -2.443 -0.103 9.689 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.361 1.109 9.752 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.286 -0.726 11.068 1.00 0.00 C ATOM 0 H LEU A 25 -3.558 -2.095 6.499 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.199 -0.964 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.752 -0.661 8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.455 -1.939 9.248 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.462 0.227 9.347 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.963 1.830 10.466 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.422 1.571 8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.356 0.796 10.068 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.904 0.021 11.764 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.254 -1.086 11.417 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.587 -1.561 11.013 1.00 0.00 H new ATOM 421 N GLY A 26 -1.839 -4.033 8.532 1.00 0.00 N ATOM 422 CA GLY A 26 -1.236 -5.182 9.185 1.00 0.00 C ATOM 423 C GLY A 26 -0.160 -5.840 8.343 1.00 0.00 C ATOM 424 O GLY A 26 0.892 -6.222 8.855 1.00 0.00 O ATOM 0 H GLY A 26 -2.767 -4.200 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.806 -4.869 10.136 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.012 -5.914 9.412 1.00 0.00 H new ATOM 428 N GLU A 27 -0.422 -5.974 7.048 1.00 0.00 N ATOM 429 CA GLU A 27 0.533 -6.594 6.134 1.00 0.00 C ATOM 430 C GLU A 27 1.842 -5.815 6.102 1.00 0.00 C ATOM 431 O GLU A 27 2.921 -6.382 6.295 1.00 0.00 O ATOM 432 CB GLU A 27 -0.058 -6.677 4.725 1.00 0.00 C ATOM 433 CG GLU A 27 -0.830 -7.960 4.464 1.00 0.00 C ATOM 434 CD GLU A 27 -0.054 -8.945 3.610 1.00 0.00 C ATOM 435 OE1 GLU A 27 0.805 -9.663 4.164 1.00 0.00 O ATOM 436 OE2 GLU A 27 -0.306 -8.996 2.388 1.00 0.00 O ATOM 0 H GLU A 27 -1.287 -5.662 6.606 1.00 0.00 H new ATOM 0 HA GLU A 27 0.740 -7.601 6.495 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.720 -5.826 4.567 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.748 -6.593 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.081 -8.429 5.416 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.771 -7.719 3.970 1.00 0.00 H new ATOM 443 N LEU A 28 1.746 -4.512 5.858 1.00 0.00 N ATOM 444 CA LEU A 28 2.925 -3.657 5.799 1.00 0.00 C ATOM 445 C LEU A 28 3.709 -3.718 7.106 1.00 0.00 C ATOM 446 O LEU A 28 4.929 -3.553 7.115 1.00 0.00 O ATOM 447 CB LEU A 28 2.524 -2.213 5.495 1.00 0.00 C ATOM 448 CG LEU A 28 2.361 -1.889 4.008 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.898 -0.452 3.823 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.667 -2.131 3.260 1.00 0.00 C ATOM 0 H LEU A 28 0.864 -4.026 5.698 1.00 0.00 H new ATOM 0 HA LEU A 28 3.565 -4.022 4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.585 -1.997 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.276 -1.546 5.917 1.00 0.00 H new ATOM 0 HG LEU A 28 1.601 -2.551 3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.788 -0.239 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.940 -0.311 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.635 0.226 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.531 -1.895 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.448 -1.495 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.957 -3.177 3.364 1.00 0.00 H new ATOM 462 N THR A 29 3.007 -3.963 8.207 1.00 0.00 N ATOM 463 CA THR A 29 3.649 -4.052 9.514 1.00 0.00 C ATOM 464 C THR A 29 4.671 -5.185 9.532 1.00 0.00 C ATOM 465 O THR A 29 5.777 -5.028 10.048 1.00 0.00 O ATOM 466 CB THR A 29 2.607 -4.269 10.613 1.00 0.00 C ATOM 467 OG1 THR A 29 1.654 -3.222 10.616 1.00 0.00 O ATOM 468 CG2 THR A 29 3.206 -4.347 12.000 1.00 0.00 C ATOM 0 H THR A 29 1.997 -4.103 8.221 1.00 0.00 H new ATOM 0 HA THR A 29 4.165 -3.111 9.703 1.00 0.00 H new ATOM 0 HB THR A 29 2.141 -5.227 10.381 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.942 -3.426 9.974 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.412 -4.502 12.731 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.909 -5.179 12.046 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.729 -3.417 12.223 1.00 0.00 H new ATOM 476 N GLU A 30 4.292 -6.323 8.960 1.00 0.00 N ATOM 477 CA GLU A 30 5.176 -7.482 8.905 1.00 0.00 C ATOM 478 C GLU A 30 6.443 -7.155 8.121 1.00 0.00 C ATOM 479 O GLU A 30 7.552 -7.254 8.646 1.00 0.00 O ATOM 480 CB GLU A 30 4.457 -8.670 8.265 1.00 0.00 C ATOM 481 CG GLU A 30 3.234 -9.131 9.041 1.00 0.00 C ATOM 482 CD GLU A 30 3.430 -10.485 9.694 1.00 0.00 C ATOM 483 OE1 GLU A 30 4.119 -11.337 9.097 1.00 0.00 O ATOM 484 OE2 GLU A 30 2.895 -10.692 10.804 1.00 0.00 O ATOM 0 H GLU A 30 3.379 -6.468 8.528 1.00 0.00 H new ATOM 0 HA GLU A 30 5.456 -7.746 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.154 -8.399 7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.156 -9.502 8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.996 -8.394 9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.378 -9.178 8.368 1.00 0.00 H new ATOM 491 N VAL A 31 6.271 -6.761 6.861 1.00 0.00 N ATOM 492 CA VAL A 31 7.401 -6.415 6.006 1.00 0.00 C ATOM 493 C VAL A 31 8.294 -5.373 6.673 1.00 0.00 C ATOM 494 O VAL A 31 9.515 -5.411 6.542 1.00 0.00 O ATOM 495 CB VAL A 31 6.931 -5.883 4.639 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.954 -4.738 4.827 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.114 -5.450 3.783 1.00 0.00 C ATOM 0 H VAL A 31 5.360 -6.674 6.411 1.00 0.00 H new ATOM 0 HA VAL A 31 7.973 -7.330 5.849 1.00 0.00 H new ATOM 0 HB VAL A 31 6.421 -6.691 4.115 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.630 -4.372 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.088 -5.087 5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.441 -3.931 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.753 -5.079 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.663 -4.659 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.774 -6.301 3.617 1.00 0.00 H new ATOM 507 N CYS A 32 7.671 -4.445 7.393 1.00 0.00 N ATOM 508 CA CYS A 32 8.408 -3.394 8.086 1.00 0.00 C ATOM 509 C CYS A 32 9.408 -3.994 9.069 1.00 0.00 C ATOM 510 O CYS A 32 10.598 -3.679 9.031 1.00 0.00 O ATOM 511 CB CYS A 32 7.442 -2.470 8.825 1.00 0.00 C ATOM 512 SG CYS A 32 6.648 -1.235 7.769 1.00 0.00 S ATOM 0 H CYS A 32 6.659 -4.399 7.512 1.00 0.00 H new ATOM 0 HA CYS A 32 8.956 -2.815 7.343 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.671 -3.075 9.302 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.983 -1.958 9.621 1.00 0.00 H new ATOM 0 HG CYS A 32 5.657 -1.783 7.131 1.00 0.00 H new ATOM 518 N LYS A 33 8.917 -4.865 9.945 1.00 0.00 N ATOM 519 CA LYS A 33 9.768 -5.515 10.936 1.00 0.00 C ATOM 520 C LYS A 33 10.831 -6.371 10.257 1.00 0.00 C ATOM 521 O LYS A 33 12.000 -6.348 10.642 1.00 0.00 O ATOM 522 CB LYS A 33 8.927 -6.381 11.878 1.00 0.00 C ATOM 523 CG LYS A 33 7.622 -5.728 12.309 1.00 0.00 C ATOM 524 CD LYS A 33 7.306 -6.028 13.764 1.00 0.00 C ATOM 525 CE LYS A 33 6.160 -5.168 14.273 1.00 0.00 C ATOM 526 NZ LYS A 33 6.081 -5.173 15.761 1.00 0.00 N ATOM 0 H LYS A 33 7.935 -5.137 9.989 1.00 0.00 H new ATOM 0 HA LYS A 33 10.264 -4.738 11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.704 -7.327 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.516 -6.615 12.765 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.688 -4.650 12.164 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.809 -6.085 11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.048 -7.081 13.872 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.192 -5.853 14.374 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.289 -4.145 13.920 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.220 -5.533 13.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.287 -4.575 16.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.933 -6.146 16.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.968 -4.801 16.157 1.00 0.00 H new ATOM 540 N SER A 34 10.417 -7.124 9.243 1.00 0.00 N ATOM 541 CA SER A 34 11.331 -7.989 8.505 1.00 0.00 C ATOM 542 C SER A 34 12.494 -7.188 7.926 1.00 0.00 C ATOM 543 O SER A 34 13.572 -7.728 7.683 1.00 0.00 O ATOM 544 CB SER A 34 10.587 -8.715 7.382 1.00 0.00 C ATOM 545 OG SER A 34 11.050 -10.045 7.241 1.00 0.00 O ATOM 0 H SER A 34 9.452 -7.153 8.913 1.00 0.00 H new ATOM 0 HA SER A 34 11.733 -8.726 9.201 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.518 -8.719 7.593 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.724 -8.177 6.444 1.00 0.00 H new ATOM 0 HG SER A 34 10.558 -10.488 6.518 1.00 0.00 H new ATOM 551 N LEU A 35 12.267 -5.896 7.705 1.00 0.00 N ATOM 552 CA LEU A 35 13.297 -5.022 7.156 1.00 0.00 C ATOM 553 C LEU A 35 14.184 -4.464 8.263 1.00 0.00 C ATOM 554 O LEU A 35 15.358 -4.168 8.041 1.00 0.00 O ATOM 555 CB LEU A 35 12.656 -3.874 6.375 1.00 0.00 C ATOM 556 CG LEU A 35 12.039 -4.264 5.031 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.434 -3.046 4.347 1.00 0.00 C ATOM 558 CD2 LEU A 35 13.085 -4.917 4.139 1.00 0.00 C ATOM 0 H LEU A 35 11.379 -5.432 7.898 1.00 0.00 H new ATOM 0 HA LEU A 35 13.917 -5.612 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.881 -3.422 6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.412 -3.108 6.201 1.00 0.00 H new ATOM 0 HG LEU A 35 11.241 -4.984 5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.000 -3.343 3.392 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.657 -2.620 4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.211 -2.301 4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.632 -5.189 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.903 -4.218 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.471 -5.812 4.626 1.00 0.00 H new ATOM 570 N GLY A 36 13.616 -4.322 9.456 1.00 0.00 N ATOM 571 CA GLY A 36 14.368 -3.796 10.579 1.00 0.00 C ATOM 572 C GLY A 36 15.267 -4.835 11.218 1.00 0.00 C ATOM 573 O GLY A 36 16.302 -4.500 11.793 1.00 0.00 O ATOM 0 H GLY A 36 12.647 -4.562 9.665 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.974 -2.954 10.243 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.675 -3.411 11.327 1.00 0.00 H new ATOM 577 N LYS A 37 14.871 -6.100 11.120 1.00 0.00 N ATOM 578 CA LYS A 37 15.651 -7.190 11.696 1.00 0.00 C ATOM 579 C LYS A 37 16.901 -7.468 10.866 1.00 0.00 C ATOM 580 O LYS A 37 17.912 -7.939 11.388 1.00 0.00 O ATOM 581 CB LYS A 37 14.798 -8.457 11.796 1.00 0.00 C ATOM 582 CG LYS A 37 14.215 -8.903 10.466 1.00 0.00 C ATOM 583 CD LYS A 37 14.918 -10.141 9.932 1.00 0.00 C ATOM 584 CE LYS A 37 14.340 -11.412 10.533 1.00 0.00 C ATOM 585 NZ LYS A 37 14.696 -12.615 9.732 1.00 0.00 N ATOM 0 H LYS A 37 14.016 -6.395 10.648 1.00 0.00 H new ATOM 0 HA LYS A 37 15.963 -6.889 12.696 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.406 -9.263 12.205 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.984 -8.283 12.500 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.152 -9.111 10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.301 -8.094 9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.824 -10.175 8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.983 -10.082 10.158 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.708 -11.532 11.552 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.255 -11.324 10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.283 -13.461 10.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.323 -12.512 8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.731 -12.714 9.695 1.00 0.00 H new ATOM 599 N VAL A 38 16.827 -7.175 9.571 1.00 0.00 N ATOM 600 CA VAL A 38 17.954 -7.396 8.672 1.00 0.00 C ATOM 601 C VAL A 38 18.899 -6.200 8.666 1.00 0.00 C ATOM 602 O VAL A 38 20.115 -6.358 8.551 1.00 0.00 O ATOM 603 CB VAL A 38 17.485 -7.670 7.234 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.862 -9.053 7.127 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.503 -6.601 6.788 1.00 0.00 C ATOM 0 H VAL A 38 15.999 -6.784 9.121 1.00 0.00 H new ATOM 0 HA VAL A 38 18.483 -8.272 9.046 1.00 0.00 H new ATOM 0 HB VAL A 38 18.352 -7.638 6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.537 -9.227 6.101 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.598 -9.806 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.004 -9.118 7.796 1.00 0.00 H new ATOM 0 HG21 VAL A 38 16.179 -6.807 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.638 -6.602 7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.986 -5.625 6.825 1.00 0.00 H new ATOM 615 N PHE A 39 18.334 -5.004 8.788 1.00 0.00 N ATOM 616 CA PHE A 39 19.129 -3.780 8.797 1.00 0.00 C ATOM 617 C PHE A 39 19.535 -3.399 10.217 1.00 0.00 C ATOM 618 O PHE A 39 20.551 -2.736 10.426 1.00 0.00 O ATOM 619 CB PHE A 39 18.344 -2.634 8.155 1.00 0.00 C ATOM 620 CG PHE A 39 18.427 -2.615 6.657 1.00 0.00 C ATOM 621 CD1 PHE A 39 19.643 -2.431 6.019 1.00 0.00 C ATOM 622 CD2 PHE A 39 17.288 -2.782 5.884 1.00 0.00 C ATOM 623 CE1 PHE A 39 19.722 -2.414 4.640 1.00 0.00 C ATOM 624 CE2 PHE A 39 17.361 -2.765 4.505 1.00 0.00 C ATOM 625 CZ PHE A 39 18.579 -2.580 3.882 1.00 0.00 C ATOM 0 H PHE A 39 17.329 -4.855 8.882 1.00 0.00 H new ATOM 0 HA PHE A 39 20.035 -3.963 8.219 1.00 0.00 H new ATOM 0 HB2 PHE A 39 17.298 -2.710 8.452 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.717 -1.686 8.543 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.540 -2.299 6.607 1.00 0.00 H new ATOM 0 HD2 PHE A 39 16.332 -2.927 6.366 1.00 0.00 H new ATOM 0 HE1 PHE A 39 20.676 -2.271 4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.466 -2.896 3.915 1.00 0.00 H new ATOM 0 HZ PHE A 39 18.638 -2.565 2.804 1.00 0.00 H new ATOM 635 N GLY A 40 18.737 -3.825 11.193 1.00 0.00 N ATOM 636 CA GLY A 40 19.032 -3.518 12.578 1.00 0.00 C ATOM 637 C GLY A 40 18.320 -2.270 13.066 1.00 0.00 C ATOM 638 O GLY A 40 18.766 -1.623 14.011 1.00 0.00 O ATOM 0 H GLY A 40 17.892 -4.377 11.047 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.744 -4.363 13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.108 -3.387 12.696 1.00 0.00 H new ATOM 642 N VAL A 41 17.207 -1.934 12.419 1.00 0.00 N ATOM 643 CA VAL A 41 16.432 -0.759 12.796 1.00 0.00 C ATOM 644 C VAL A 41 15.089 -1.160 13.394 1.00 0.00 C ATOM 645 O VAL A 41 14.480 -2.143 12.972 1.00 0.00 O ATOM 646 CB VAL A 41 16.190 0.171 11.590 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.502 0.756 11.095 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.476 -0.577 10.474 1.00 0.00 C ATOM 0 H VAL A 41 16.823 -2.459 11.633 1.00 0.00 H new ATOM 0 HA VAL A 41 17.016 -0.221 13.543 1.00 0.00 H new ATOM 0 HB VAL A 41 15.551 0.994 11.911 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.311 1.409 10.244 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.969 1.330 11.895 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.168 -0.051 10.790 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.314 0.095 9.631 1.00 0.00 H new ATOM 0 HG22 VAL A 41 16.087 -1.421 10.153 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.515 -0.942 10.837 1.00 0.00 H new ATOM 658 N HIS A 42 14.634 -0.397 14.383 1.00 0.00 N ATOM 659 CA HIS A 42 13.365 -0.678 15.043 1.00 0.00 C ATOM 660 C HIS A 42 12.210 -0.648 14.046 1.00 0.00 C ATOM 661 O HIS A 42 12.322 -0.071 12.964 1.00 0.00 O ATOM 662 CB HIS A 42 13.113 0.336 16.161 1.00 0.00 C ATOM 663 CG HIS A 42 14.223 0.410 17.164 1.00 0.00 C ATOM 664 ND1 HIS A 42 14.217 -0.299 18.347 1.00 0.00 N ATOM 665 CD2 HIS A 42 15.380 1.113 17.155 1.00 0.00 C ATOM 666 CE1 HIS A 42 15.322 -0.034 19.023 1.00 0.00 C ATOM 667 NE2 HIS A 42 16.044 0.820 18.321 1.00 0.00 N ATOM 0 H HIS A 42 15.126 0.420 14.745 1.00 0.00 H new ATOM 0 HA HIS A 42 13.423 -1.678 15.472 1.00 0.00 H new ATOM 0 HB2 HIS A 42 12.967 1.322 15.720 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.187 0.076 16.674 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.718 1.780 16.376 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.589 -0.446 19.985 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.948 1.201 18.600 1.00 0.00 H new ATOM 676 N TYR A 43 11.098 -1.274 14.423 1.00 0.00 N ATOM 677 CA TYR A 43 9.915 -1.322 13.569 1.00 0.00 C ATOM 678 C TYR A 43 9.448 0.087 13.211 1.00 0.00 C ATOM 679 O TYR A 43 9.139 0.374 12.054 1.00 0.00 O ATOM 680 CB TYR A 43 8.794 -2.093 14.278 1.00 0.00 C ATOM 681 CG TYR A 43 7.427 -1.916 13.653 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.260 -1.954 12.275 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.304 -1.709 14.445 1.00 0.00 C ATOM 684 CE1 TYR A 43 6.011 -1.791 11.705 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.053 -1.547 13.882 1.00 0.00 C ATOM 686 CZ TYR A 43 4.912 -1.587 12.511 1.00 0.00 C ATOM 687 OH TYR A 43 3.668 -1.426 11.945 1.00 0.00 O ATOM 0 H TYR A 43 10.992 -1.756 15.316 1.00 0.00 H new ATOM 0 HA TYR A 43 10.172 -1.838 12.644 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.044 -3.154 14.282 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.750 -1.772 15.319 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.118 -2.113 11.639 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.411 -1.674 15.519 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.897 -1.823 10.632 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.190 -1.390 14.512 1.00 0.00 H new ATOM 0 HH TYR A 43 3.002 -1.293 12.651 1.00 0.00 H new ATOM 697 N PHE A 44 9.401 0.962 14.211 1.00 0.00 N ATOM 698 CA PHE A 44 8.975 2.340 14.000 1.00 0.00 C ATOM 699 C PHE A 44 9.941 3.080 13.082 1.00 0.00 C ATOM 700 O PHE A 44 9.561 4.032 12.400 1.00 0.00 O ATOM 701 CB PHE A 44 8.865 3.070 15.341 1.00 0.00 C ATOM 702 CG PHE A 44 7.709 4.026 15.413 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.449 3.644 14.978 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.880 5.305 15.917 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.384 4.521 15.045 1.00 0.00 C ATOM 706 CE2 PHE A 44 6.819 6.187 15.985 1.00 0.00 C ATOM 707 CZ PHE A 44 5.568 5.793 15.548 1.00 0.00 C ATOM 0 H PHE A 44 9.653 0.741 15.174 1.00 0.00 H new ATOM 0 HA PHE A 44 7.996 2.320 13.520 1.00 0.00 H new ATOM 0 HB2 PHE A 44 8.767 2.334 16.139 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.790 3.617 15.524 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.299 2.650 14.583 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.855 5.617 16.261 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.407 4.211 14.704 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.966 7.182 16.379 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.736 6.480 15.600 1.00 0.00 H new ATOM 717 N ASN A 45 11.196 2.640 13.073 1.00 0.00 N ATOM 718 CA ASN A 45 12.219 3.262 12.239 1.00 0.00 C ATOM 719 C ASN A 45 11.829 3.219 10.765 1.00 0.00 C ATOM 720 O ASN A 45 12.146 4.132 10.003 1.00 0.00 O ATOM 721 CB ASN A 45 13.567 2.566 12.443 1.00 0.00 C ATOM 722 CG ASN A 45 14.728 3.539 12.442 1.00 0.00 C ATOM 723 OD1 ASN A 45 15.676 3.391 11.671 1.00 0.00 O ATOM 724 ND2 ASN A 45 14.658 4.544 13.308 1.00 0.00 N ATOM 0 H ASN A 45 11.529 1.855 13.634 1.00 0.00 H new ATOM 0 HA ASN A 45 12.306 4.306 12.539 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.553 2.023 13.388 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.715 1.828 11.654 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.410 5.232 13.352 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.853 4.627 13.928 1.00 0.00 H new ATOM 731 N ILE A 46 11.141 2.152 10.369 1.00 0.00 N ATOM 732 CA ILE A 46 10.712 1.995 8.984 1.00 0.00 C ATOM 733 C ILE A 46 9.634 3.011 8.624 1.00 0.00 C ATOM 734 O ILE A 46 9.860 3.906 7.810 1.00 0.00 O ATOM 735 CB ILE A 46 10.168 0.578 8.720 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.144 -0.475 9.247 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.912 0.376 7.233 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.533 -0.362 8.654 1.00 0.00 C ATOM 0 H ILE A 46 10.870 1.386 10.986 1.00 0.00 H new ATOM 0 HA ILE A 46 11.591 2.162 8.362 1.00 0.00 H new ATOM 0 HB ILE A 46 9.222 0.465 9.250 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.212 -0.385 10.331 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.746 -1.467 9.033 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.528 -0.630 7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.181 1.107 6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.844 0.506 6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.172 -1.140 9.073 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.478 -0.482 7.572 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.951 0.617 8.890 1.00 0.00 H new ATOM 750 N PHE A 47 8.463 2.866 9.235 1.00 0.00 N ATOM 751 CA PHE A 47 7.350 3.770 8.978 1.00 0.00 C ATOM 752 C PHE A 47 6.627 4.124 10.273 1.00 0.00 C ATOM 753 O PHE A 47 6.913 3.563 11.330 1.00 0.00 O ATOM 754 CB PHE A 47 6.365 3.136 7.991 1.00 0.00 C ATOM 755 CG PHE A 47 6.824 3.151 6.556 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.729 4.101 6.101 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.343 2.210 5.658 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.143 4.110 4.782 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.753 2.216 4.339 1.00 0.00 C ATOM 760 CZ PHE A 47 7.654 3.166 3.901 1.00 0.00 C ATOM 0 H PHE A 47 8.261 2.130 9.912 1.00 0.00 H new ATOM 0 HA PHE A 47 7.753 4.685 8.543 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.183 2.104 8.291 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.412 3.661 8.060 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.114 4.842 6.786 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.639 1.463 5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.848 4.854 4.441 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.369 1.478 3.651 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.976 3.171 2.870 1.00 0.00 H new ATOM 770 N ASN A 48 5.688 5.060 10.181 1.00 0.00 N ATOM 771 CA ASN A 48 4.920 5.493 11.342 1.00 0.00 C ATOM 772 C ASN A 48 3.440 5.169 11.163 1.00 0.00 C ATOM 773 O ASN A 48 2.989 4.868 10.058 1.00 0.00 O ATOM 774 CB ASN A 48 5.105 6.995 11.573 1.00 0.00 C ATOM 775 CG ASN A 48 6.016 7.289 12.749 1.00 0.00 C ATOM 776 OD1 ASN A 48 6.958 6.546 13.021 1.00 0.00 O ATOM 777 ND2 ASN A 48 5.739 8.381 13.452 1.00 0.00 N ATOM 0 H ASN A 48 5.440 5.534 9.312 1.00 0.00 H new ATOM 0 HA ASN A 48 5.289 4.954 12.214 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.519 7.450 10.673 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.133 7.456 11.745 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.318 8.632 14.253 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.947 8.969 13.191 1.00 0.00 H new ATOM 784 N THR A 49 2.688 5.233 12.258 1.00 0.00 N ATOM 785 CA THR A 49 1.255 4.946 12.223 1.00 0.00 C ATOM 786 C THR A 49 0.556 5.769 11.144 1.00 0.00 C ATOM 787 O THR A 49 -0.451 5.341 10.580 1.00 0.00 O ATOM 788 CB THR A 49 0.626 5.232 13.588 1.00 0.00 C ATOM 789 OG1 THR A 49 1.409 4.674 14.627 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.778 4.687 13.726 1.00 0.00 C ATOM 0 H THR A 49 3.046 5.481 13.181 1.00 0.00 H new ATOM 0 HA THR A 49 1.128 3.890 11.983 1.00 0.00 H new ATOM 0 HB THR A 49 0.585 6.318 13.665 1.00 0.00 H new ATOM 0 HG1 THR A 49 0.992 4.869 15.492 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.165 4.925 14.717 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.419 5.138 12.969 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.763 3.605 13.592 1.00 0.00 H new ATOM 798 N VAL A 50 1.096 6.950 10.863 1.00 0.00 N ATOM 799 CA VAL A 50 0.523 7.831 9.852 1.00 0.00 C ATOM 800 C VAL A 50 0.820 7.323 8.444 1.00 0.00 C ATOM 801 O VAL A 50 0.043 7.544 7.516 1.00 0.00 O ATOM 802 CB VAL A 50 1.057 9.266 9.985 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.434 9.961 11.186 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.571 9.259 10.090 1.00 0.00 C ATOM 0 H VAL A 50 1.929 7.319 11.321 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.554 7.835 10.017 1.00 0.00 H new ATOM 0 HB VAL A 50 0.778 9.823 9.091 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.825 10.976 11.263 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.649 9.998 11.064 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.678 9.409 12.093 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.934 10.283 10.184 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.872 8.686 10.967 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.996 8.804 9.195 1.00 0.00 H new ATOM 814 N THR A 51 1.950 6.640 8.294 1.00 0.00 N ATOM 815 CA THR A 51 2.353 6.100 6.999 1.00 0.00 C ATOM 816 C THR A 51 1.514 4.878 6.635 1.00 0.00 C ATOM 817 O THR A 51 0.963 4.797 5.537 1.00 0.00 O ATOM 818 CB THR A 51 3.838 5.731 7.020 1.00 0.00 C ATOM 819 OG1 THR A 51 4.636 6.875 7.268 1.00 0.00 O ATOM 820 CG2 THR A 51 4.320 5.107 5.727 1.00 0.00 C ATOM 0 H THR A 51 2.604 6.447 9.053 1.00 0.00 H new ATOM 0 HA THR A 51 2.188 6.867 6.243 1.00 0.00 H new ATOM 0 HB THR A 51 3.941 4.997 7.819 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.172 7.674 6.943 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.381 4.870 5.811 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.758 4.193 5.532 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.168 5.808 4.906 1.00 0.00 H new ATOM 828 N LEU A 52 1.428 3.930 7.561 1.00 0.00 N ATOM 829 CA LEU A 52 0.660 2.708 7.337 1.00 0.00 C ATOM 830 C LEU A 52 -0.792 3.028 6.999 1.00 0.00 C ATOM 831 O LEU A 52 -1.351 2.483 6.046 1.00 0.00 O ATOM 832 CB LEU A 52 0.723 1.808 8.572 1.00 0.00 C ATOM 833 CG LEU A 52 2.131 1.520 9.095 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.143 1.492 10.616 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.649 0.207 8.530 1.00 0.00 C ATOM 0 H LEU A 52 1.880 3.983 8.474 1.00 0.00 H new ATOM 0 HA LEU A 52 1.102 2.183 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.144 2.272 9.370 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.239 0.860 8.337 1.00 0.00 H new ATOM 0 HG LEU A 52 2.792 2.321 8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.154 1.286 10.968 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.815 2.458 11.000 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.469 0.712 10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.652 0.017 8.912 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.987 -0.605 8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.680 0.266 7.442 1.00 0.00 H new ATOM 847 N LYS A 53 -1.399 3.913 7.783 1.00 0.00 N ATOM 848 CA LYS A 53 -2.788 4.302 7.564 1.00 0.00 C ATOM 849 C LYS A 53 -2.968 4.905 6.175 1.00 0.00 C ATOM 850 O LYS A 53 -3.990 4.693 5.524 1.00 0.00 O ATOM 851 CB LYS A 53 -3.236 5.300 8.632 1.00 0.00 C ATOM 852 CG LYS A 53 -2.480 6.618 8.594 1.00 0.00 C ATOM 853 CD LYS A 53 -3.125 7.656 9.498 1.00 0.00 C ATOM 854 CE LYS A 53 -3.002 7.273 10.964 1.00 0.00 C ATOM 855 NZ LYS A 53 -4.016 7.965 11.805 1.00 0.00 N ATOM 0 H LYS A 53 -0.952 4.374 8.575 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.407 3.408 7.635 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.300 5.498 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.109 4.847 9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.448 6.456 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.451 6.993 7.571 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.655 8.625 9.334 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.178 7.764 9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.119 6.194 11.068 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.003 7.522 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.899 7.677 12.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.889 8.994 11.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.970 7.708 11.480 1.00 0.00 H new ATOM 869 N LYS A 54 -1.968 5.657 5.725 1.00 0.00 N ATOM 870 CA LYS A 54 -2.017 6.289 4.412 1.00 0.00 C ATOM 871 C LYS A 54 -1.975 5.238 3.306 1.00 0.00 C ATOM 872 O LYS A 54 -2.874 5.170 2.468 1.00 0.00 O ATOM 873 CB LYS A 54 -0.855 7.271 4.250 1.00 0.00 C ATOM 874 CG LYS A 54 -1.271 8.611 3.664 1.00 0.00 C ATOM 875 CD LYS A 54 -2.048 9.443 4.672 1.00 0.00 C ATOM 876 CE LYS A 54 -2.295 10.852 4.158 1.00 0.00 C ATOM 877 NZ LYS A 54 -3.418 10.898 3.181 1.00 0.00 N ATOM 0 H LYS A 54 -1.114 5.843 6.251 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.955 6.838 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.391 7.437 5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.097 6.822 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.385 9.160 3.343 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.883 8.447 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.002 8.960 4.886 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.496 9.488 5.611 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.517 11.511 4.997 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.388 11.231 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.554 11.876 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.196 10.289 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.289 10.561 3.638 1.00 0.00 H new ATOM 891 N LEU A 55 -0.927 4.420 3.314 1.00 0.00 N ATOM 892 CA LEU A 55 -0.773 3.369 2.314 1.00 0.00 C ATOM 893 C LEU A 55 -1.947 2.395 2.345 1.00 0.00 C ATOM 894 O LEU A 55 -2.198 1.685 1.372 1.00 0.00 O ATOM 895 CB LEU A 55 0.543 2.617 2.524 1.00 0.00 C ATOM 896 CG LEU A 55 1.753 3.236 1.820 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.603 4.052 2.783 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.595 2.158 1.157 1.00 0.00 C ATOM 0 H LEU A 55 -0.174 4.464 4.000 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.756 3.845 1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.749 2.565 3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.420 1.592 2.173 1.00 0.00 H new ATOM 0 HG LEU A 55 1.376 3.911 1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.453 4.476 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.002 4.857 3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.964 3.408 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.450 2.618 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.947 1.456 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.992 1.627 0.421 1.00 0.00 H new ATOM 910 N ALA A 56 -2.667 2.366 3.463 1.00 0.00 N ATOM 911 CA ALA A 56 -3.814 1.479 3.603 1.00 0.00 C ATOM 912 C ALA A 56 -5.035 2.049 2.891 1.00 0.00 C ATOM 913 O ALA A 56 -5.643 1.382 2.055 1.00 0.00 O ATOM 914 CB ALA A 56 -4.119 1.237 5.073 1.00 0.00 C ATOM 0 H ALA A 56 -2.476 2.945 4.281 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.566 0.526 3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.978 0.572 5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.255 0.778 5.553 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.343 2.186 5.559 1.00 0.00 H new ATOM 920 N GLU A 57 -5.385 3.286 3.225 1.00 0.00 N ATOM 921 CA GLU A 57 -6.533 3.945 2.610 1.00 0.00 C ATOM 922 C GLU A 57 -6.355 4.034 1.099 1.00 0.00 C ATOM 923 O GLU A 57 -7.301 3.827 0.338 1.00 0.00 O ATOM 924 CB GLU A 57 -6.721 5.348 3.195 1.00 0.00 C ATOM 925 CG GLU A 57 -6.543 5.411 4.704 1.00 0.00 C ATOM 926 CD GLU A 57 -7.748 6.000 5.411 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.028 7.200 5.211 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.414 5.259 6.166 1.00 0.00 O ATOM 0 H GLU A 57 -4.892 3.852 3.916 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.421 3.350 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.008 6.026 2.726 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.718 5.707 2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.357 4.407 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.662 6.009 4.937 1.00 0.00 H new ATOM 935 N SER A 58 -5.134 4.341 0.669 1.00 0.00 N ATOM 936 CA SER A 58 -4.828 4.456 -0.753 1.00 0.00 C ATOM 937 C SER A 58 -5.009 3.114 -1.455 1.00 0.00 C ATOM 938 O SER A 58 -5.694 3.023 -2.473 1.00 0.00 O ATOM 939 CB SER A 58 -3.397 4.959 -0.948 1.00 0.00 C ATOM 940 OG SER A 58 -3.207 5.459 -2.260 1.00 0.00 O ATOM 0 H SER A 58 -4.340 4.515 1.286 1.00 0.00 H new ATOM 0 HA SER A 58 -5.520 5.174 -1.194 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.182 5.743 -0.222 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.694 4.148 -0.759 1.00 0.00 H new ATOM 0 HG SER A 58 -2.285 5.776 -2.359 1.00 0.00 H new ATOM 946 N LEU A 59 -4.394 2.075 -0.899 1.00 0.00 N ATOM 947 CA LEU A 59 -4.490 0.734 -1.468 1.00 0.00 C ATOM 948 C LEU A 59 -3.812 0.667 -2.834 1.00 0.00 C ATOM 949 O LEU A 59 -4.330 0.051 -3.765 1.00 0.00 O ATOM 950 CB LEU A 59 -5.958 0.317 -1.587 1.00 0.00 C ATOM 951 CG LEU A 59 -6.233 -1.171 -1.352 1.00 0.00 C ATOM 952 CD1 LEU A 59 -7.431 -1.357 -0.430 1.00 0.00 C ATOM 953 CD2 LEU A 59 -6.460 -1.889 -2.677 1.00 0.00 C ATOM 0 H LEU A 59 -3.824 2.135 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.975 0.044 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.543 0.896 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.316 0.584 -2.581 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.359 -1.609 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.610 -2.421 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.229 -0.880 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.312 -0.903 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.654 -2.945 -2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.316 -1.448 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.573 -1.788 -3.302 1.00 0.00 H new ATOM 965 N SER A 60 -2.651 1.304 -2.946 1.00 0.00 N ATOM 966 CA SER A 60 -1.902 1.314 -4.198 1.00 0.00 C ATOM 967 C SER A 60 -0.407 1.149 -3.939 1.00 0.00 C ATOM 968 O SER A 60 0.106 1.592 -2.912 1.00 0.00 O ATOM 969 CB SER A 60 -2.158 2.616 -4.960 1.00 0.00 C ATOM 970 OG SER A 60 -2.001 2.428 -6.357 1.00 0.00 O ATOM 0 H SER A 60 -2.208 1.820 -2.186 1.00 0.00 H new ATOM 0 HA SER A 60 -2.243 0.474 -4.803 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.166 2.973 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.468 3.386 -4.613 1.00 0.00 H new ATOM 0 HG SER A 60 -2.171 3.274 -6.822 1.00 0.00 H new ATOM 976 N SER A 61 0.287 0.510 -4.876 1.00 0.00 N ATOM 977 CA SER A 61 1.724 0.291 -4.743 1.00 0.00 C ATOM 978 C SER A 61 2.501 1.185 -5.705 1.00 0.00 C ATOM 979 O SER A 61 2.863 0.766 -6.805 1.00 0.00 O ATOM 980 CB SER A 61 2.066 -1.180 -5.000 1.00 0.00 C ATOM 981 OG SER A 61 0.971 -1.866 -5.580 1.00 0.00 O ATOM 0 H SER A 61 -0.120 0.136 -5.733 1.00 0.00 H new ATOM 0 HA SER A 61 2.013 0.548 -3.724 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.931 -1.245 -5.661 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.344 -1.661 -4.062 1.00 0.00 H new ATOM 0 HG SER A 61 1.191 -2.111 -6.503 1.00 0.00 H new ATOM 987 N ASP A 62 2.757 2.417 -5.278 1.00 0.00 N ATOM 988 CA ASP A 62 3.496 3.377 -6.090 1.00 0.00 C ATOM 989 C ASP A 62 4.697 3.920 -5.321 1.00 0.00 C ATOM 990 O ASP A 62 4.720 3.887 -4.094 1.00 0.00 O ATOM 991 CB ASP A 62 2.583 4.529 -6.516 1.00 0.00 C ATOM 992 CG ASP A 62 1.972 4.306 -7.886 1.00 0.00 C ATOM 993 OD1 ASP A 62 2.627 4.656 -8.890 1.00 0.00 O ATOM 994 OD2 ASP A 62 0.841 3.781 -7.953 1.00 0.00 O ATOM 0 H ASP A 62 2.462 2.775 -4.370 1.00 0.00 H new ATOM 0 HA ASP A 62 3.856 2.864 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.787 4.649 -5.781 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.153 5.458 -6.522 1.00 0.00 H new ATOM 999 N PRO A 63 5.721 4.421 -6.030 1.00 0.00 N ATOM 1000 CA PRO A 63 6.919 4.963 -5.401 1.00 0.00 C ATOM 1001 C PRO A 63 6.783 6.440 -5.040 1.00 0.00 C ATOM 1002 O PRO A 63 7.083 6.842 -3.916 1.00 0.00 O ATOM 1003 CB PRO A 63 7.979 4.764 -6.479 1.00 0.00 C ATOM 1004 CG PRO A 63 7.238 4.852 -7.776 1.00 0.00 C ATOM 1005 CD PRO A 63 5.795 4.494 -7.499 1.00 0.00 C ATOM 0 HA PRO A 63 7.146 4.474 -4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.754 5.528 -6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.473 3.798 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.311 5.857 -8.192 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.668 4.171 -8.510 1.00 0.00 H new ATOM 0 HD2 PRO A 63 5.114 5.247 -7.896 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.524 3.544 -7.960 1.00 0.00 H new ATOM 1013 N GLU A 64 6.329 7.245 -5.998 1.00 0.00 N ATOM 1014 CA GLU A 64 6.157 8.676 -5.773 1.00 0.00 C ATOM 1015 C GLU A 64 4.969 8.946 -4.853 1.00 0.00 C ATOM 1016 O GLU A 64 4.997 9.873 -4.041 1.00 0.00 O ATOM 1017 CB GLU A 64 5.963 9.408 -7.104 1.00 0.00 C ATOM 1018 CG GLU A 64 4.968 8.733 -8.035 1.00 0.00 C ATOM 1019 CD GLU A 64 4.016 9.718 -8.683 1.00 0.00 C ATOM 1020 OE1 GLU A 64 4.496 10.645 -9.370 1.00 0.00 O ATOM 1021 OE2 GLU A 64 2.789 9.564 -8.504 1.00 0.00 O ATOM 0 H GLU A 64 6.075 6.931 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 64 7.060 9.050 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.626 10.425 -6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.926 9.485 -7.610 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.511 8.193 -8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.395 7.994 -7.475 1.00 0.00 H new ATOM 1028 N VAL A 65 3.929 8.128 -4.981 1.00 0.00 N ATOM 1029 CA VAL A 65 2.735 8.277 -4.158 1.00 0.00 C ATOM 1030 C VAL A 65 3.078 8.142 -2.681 1.00 0.00 C ATOM 1031 O VAL A 65 2.438 8.752 -1.825 1.00 0.00 O ATOM 1032 CB VAL A 65 1.666 7.226 -4.515 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.384 7.481 -3.735 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.390 7.222 -6.012 1.00 0.00 C ATOM 0 H VAL A 65 3.889 7.356 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 65 2.335 9.272 -4.356 1.00 0.00 H new ATOM 0 HB VAL A 65 2.049 6.244 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.359 6.729 -4.000 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.591 7.425 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.001 8.472 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.632 6.472 -6.240 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.032 8.205 -6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.308 6.986 -6.551 1.00 0.00 H new ATOM 1044 N LEU A 66 4.090 7.333 -2.395 1.00 0.00 N ATOM 1045 CA LEU A 66 4.524 7.105 -1.024 1.00 0.00 C ATOM 1046 C LEU A 66 5.475 8.200 -0.553 1.00 0.00 C ATOM 1047 O LEU A 66 5.664 8.394 0.647 1.00 0.00 O ATOM 1048 CB LEU A 66 5.188 5.733 -0.913 1.00 0.00 C ATOM 1049 CG LEU A 66 4.276 4.556 -1.261 1.00 0.00 C ATOM 1050 CD1 LEU A 66 4.943 3.233 -0.921 1.00 0.00 C ATOM 1051 CD2 LEU A 66 2.949 4.684 -0.537 1.00 0.00 C ATOM 0 H LEU A 66 4.626 6.823 -3.097 1.00 0.00 H new ATOM 0 HA LEU A 66 3.647 7.132 -0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.057 5.710 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.555 5.603 0.105 1.00 0.00 H new ATOM 0 HG LEU A 66 4.090 4.575 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.274 2.412 -1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.870 3.137 -1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.164 3.201 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.311 3.839 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.121 4.694 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.460 5.612 -0.834 1.00 0.00 H new ATOM 1063 N LEU A 67 6.068 8.917 -1.501 1.00 0.00 N ATOM 1064 CA LEU A 67 6.993 9.996 -1.174 1.00 0.00 C ATOM 1065 C LEU A 67 6.252 11.159 -0.520 1.00 0.00 C ATOM 1066 O LEU A 67 6.776 11.817 0.378 1.00 0.00 O ATOM 1067 CB LEU A 67 7.708 10.479 -2.438 1.00 0.00 C ATOM 1068 CG LEU A 67 9.071 11.132 -2.202 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.952 12.277 -1.209 1.00 0.00 C ATOM 1070 CD2 LEU A 67 10.078 10.102 -1.713 1.00 0.00 C ATOM 0 H LEU A 67 5.925 8.771 -2.500 1.00 0.00 H new ATOM 0 HA LEU A 67 7.732 9.614 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.840 9.630 -3.109 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.064 11.193 -2.951 1.00 0.00 H new ATOM 0 HG LEU A 67 9.426 11.537 -3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.932 12.728 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.265 13.027 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.574 11.898 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.042 10.584 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.728 9.666 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.187 9.316 -2.461 1.00 0.00 H new ATOM 1082 N GLN A 68 5.029 11.406 -0.982 1.00 0.00 N ATOM 1083 CA GLN A 68 4.212 12.491 -0.444 1.00 0.00 C ATOM 1084 C GLN A 68 3.571 12.105 0.888 1.00 0.00 C ATOM 1085 O GLN A 68 3.092 12.968 1.625 1.00 0.00 O ATOM 1086 CB GLN A 68 3.124 12.878 -1.449 1.00 0.00 C ATOM 1087 CG GLN A 68 3.669 13.391 -2.771 1.00 0.00 C ATOM 1088 CD GLN A 68 3.593 14.901 -2.887 1.00 0.00 C ATOM 1089 OE1 GLN A 68 3.912 15.624 -1.944 1.00 0.00 O ATOM 1090 NE2 GLN A 68 3.167 15.384 -4.049 1.00 0.00 N ATOM 0 H GLN A 68 4.582 10.871 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 68 4.868 13.344 -0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.492 12.011 -1.639 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.489 13.645 -1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.706 13.074 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.110 12.939 -3.590 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.913 14.747 -4.804 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.094 16.392 -4.186 1.00 0.00 H new ATOM 1099 N ILE A 69 3.560 10.810 1.197 1.00 0.00 N ATOM 1100 CA ILE A 69 2.970 10.330 2.442 1.00 0.00 C ATOM 1101 C ILE A 69 3.726 10.872 3.652 1.00 0.00 C ATOM 1102 O ILE A 69 4.910 11.195 3.564 1.00 0.00 O ATOM 1103 CB ILE A 69 2.961 8.787 2.502 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.266 8.212 1.265 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.276 8.303 3.774 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.772 8.456 1.234 1.00 0.00 C ATOM 0 H ILE A 69 3.951 10.078 0.604 1.00 0.00 H new ATOM 0 HA ILE A 69 1.942 10.692 2.467 1.00 0.00 H new ATOM 0 HB ILE A 69 3.993 8.435 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.714 8.648 0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.450 7.139 1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.280 7.213 3.797 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.810 8.687 4.643 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.247 8.663 3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.351 8.020 0.328 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.310 7.996 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.578 9.529 1.244 1.00 0.00 H new ATOM 1118 N ASP A 70 3.029 10.971 4.780 1.00 0.00 N ATOM 1119 CA ASP A 70 3.630 11.478 6.010 1.00 0.00 C ATOM 1120 C ASP A 70 4.562 10.440 6.630 1.00 0.00 C ATOM 1121 O ASP A 70 4.203 9.270 6.763 1.00 0.00 O ATOM 1122 CB ASP A 70 2.541 11.866 7.010 1.00 0.00 C ATOM 1123 CG ASP A 70 2.932 13.065 7.854 1.00 0.00 C ATOM 1124 OD1 ASP A 70 3.831 12.922 8.707 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.337 14.146 7.659 1.00 0.00 O ATOM 0 H ASP A 70 2.048 10.707 4.868 1.00 0.00 H new ATOM 0 HA ASP A 70 4.217 12.362 5.761 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.620 12.089 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.332 11.018 7.663 1.00 0.00 H new ATOM 1130 N GLY A 71 5.757 10.879 7.011 1.00 0.00 N ATOM 1131 CA GLY A 71 6.722 9.977 7.616 1.00 0.00 C ATOM 1132 C GLY A 71 7.502 9.172 6.591 1.00 0.00 C ATOM 1133 O GLY A 71 8.395 8.405 6.950 1.00 0.00 O ATOM 0 H GLY A 71 6.075 11.843 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.419 10.553 8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.202 9.294 8.288 1.00 0.00 H new ATOM 1137 N VAL A 72 7.165 9.342 5.315 1.00 0.00 N ATOM 1138 CA VAL A 72 7.843 8.622 4.244 1.00 0.00 C ATOM 1139 C VAL A 72 8.815 9.533 3.502 1.00 0.00 C ATOM 1140 O VAL A 72 8.538 10.714 3.294 1.00 0.00 O ATOM 1141 CB VAL A 72 6.835 8.037 3.237 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.526 7.077 2.280 1.00 0.00 C ATOM 1143 CG2 VAL A 72 5.694 7.344 3.966 1.00 0.00 C ATOM 0 H VAL A 72 6.427 9.972 4.999 1.00 0.00 H new ATOM 0 HA VAL A 72 8.396 7.806 4.709 1.00 0.00 H new ATOM 0 HB VAL A 72 6.419 8.857 2.652 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.796 6.675 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.304 7.608 1.731 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.974 6.259 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.992 6.937 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.092 6.535 4.579 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.180 8.063 4.604 1.00 0.00 H new ATOM 1153 N THR A 73 9.955 8.977 3.105 1.00 0.00 N ATOM 1154 CA THR A 73 10.968 9.741 2.387 1.00 0.00 C ATOM 1155 C THR A 73 11.545 8.929 1.232 1.00 0.00 C ATOM 1156 O THR A 73 11.166 7.777 1.020 1.00 0.00 O ATOM 1157 CB THR A 73 12.088 10.163 3.337 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.288 9.184 4.343 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.823 11.482 4.028 1.00 0.00 C ATOM 0 H THR A 73 10.200 8.000 3.268 1.00 0.00 H new ATOM 0 HA THR A 73 10.492 10.633 1.979 1.00 0.00 H new ATOM 0 HB THR A 73 12.972 10.272 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.610 9.291 5.043 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.657 11.721 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.713 12.268 3.281 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.907 11.408 4.614 1.00 0.00 H new ATOM 1167 N GLU A 74 12.463 9.539 0.489 1.00 0.00 N ATOM 1168 CA GLU A 74 13.094 8.871 -0.645 1.00 0.00 C ATOM 1169 C GLU A 74 13.906 7.666 -0.183 1.00 0.00 C ATOM 1170 O GLU A 74 13.844 6.595 -0.784 1.00 0.00 O ATOM 1171 CB GLU A 74 13.994 9.849 -1.402 1.00 0.00 C ATOM 1172 CG GLU A 74 13.295 10.556 -2.552 1.00 0.00 C ATOM 1173 CD GLU A 74 14.253 10.971 -3.650 1.00 0.00 C ATOM 1174 OE1 GLU A 74 15.466 11.071 -3.373 1.00 0.00 O ATOM 1175 OE2 GLU A 74 13.789 11.196 -4.788 1.00 0.00 O ATOM 0 H GLU A 74 12.786 10.493 0.651 1.00 0.00 H new ATOM 0 HA GLU A 74 12.307 8.521 -1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.372 10.596 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.858 9.309 -1.790 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.533 9.897 -2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.780 11.438 -2.172 1.00 0.00 H new ATOM 1182 N ASP A 75 14.669 7.850 0.891 1.00 0.00 N ATOM 1183 CA ASP A 75 15.493 6.779 1.436 1.00 0.00 C ATOM 1184 C ASP A 75 14.635 5.587 1.843 1.00 0.00 C ATOM 1185 O ASP A 75 14.990 4.436 1.587 1.00 0.00 O ATOM 1186 CB ASP A 75 16.291 7.282 2.639 1.00 0.00 C ATOM 1187 CG ASP A 75 15.415 7.983 3.661 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.035 9.147 3.418 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.111 7.367 4.703 1.00 0.00 O ATOM 0 H ASP A 75 14.733 8.732 1.400 1.00 0.00 H new ATOM 0 HA ASP A 75 16.186 6.457 0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.797 6.441 3.114 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.066 7.968 2.297 1.00 0.00 H new ATOM 1194 N LYS A 76 13.503 5.871 2.478 1.00 0.00 N ATOM 1195 CA LYS A 76 12.590 4.821 2.918 1.00 0.00 C ATOM 1196 C LYS A 76 12.000 4.079 1.725 1.00 0.00 C ATOM 1197 O LYS A 76 11.831 2.862 1.759 1.00 0.00 O ATOM 1198 CB LYS A 76 11.466 5.418 3.767 1.00 0.00 C ATOM 1199 CG LYS A 76 11.962 6.312 4.894 1.00 0.00 C ATOM 1200 CD LYS A 76 11.912 5.597 6.235 1.00 0.00 C ATOM 1201 CE LYS A 76 12.752 6.314 7.281 1.00 0.00 C ATOM 1202 NZ LYS A 76 13.702 5.391 7.958 1.00 0.00 N ATOM 0 H LYS A 76 13.196 6.818 2.700 1.00 0.00 H new ATOM 0 HA LYS A 76 13.156 4.111 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.802 5.995 3.123 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.873 4.608 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.985 6.627 4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.353 7.215 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.879 5.535 6.577 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.271 4.575 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.308 7.124 6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.096 6.769 8.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 14.458 5.942 8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.195 4.839 8.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.118 4.745 7.257 1.00 0.00 H new ATOM 1216 N LEU A 77 11.688 4.824 0.670 1.00 0.00 N ATOM 1217 CA LEU A 77 11.116 4.239 -0.538 1.00 0.00 C ATOM 1218 C LEU A 77 12.199 3.630 -1.429 1.00 0.00 C ATOM 1219 O LEU A 77 11.896 2.894 -2.368 1.00 0.00 O ATOM 1220 CB LEU A 77 10.333 5.298 -1.316 1.00 0.00 C ATOM 1221 CG LEU A 77 9.031 4.806 -1.949 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.299 3.617 -2.861 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.019 4.438 -0.875 1.00 0.00 C ATOM 0 H LEU A 77 11.821 5.834 0.627 1.00 0.00 H new ATOM 0 HA LEU A 77 10.439 3.440 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.103 6.124 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.974 5.696 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 77 8.614 5.614 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.362 3.279 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.988 3.913 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.740 2.806 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.099 4.090 -1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.427 3.646 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.804 5.313 -0.262 1.00 0.00 H new ATOM 1235 N GLU A 78 13.458 3.938 -1.133 1.00 0.00 N ATOM 1236 CA GLU A 78 14.572 3.413 -1.914 1.00 0.00 C ATOM 1237 C GLU A 78 15.080 2.100 -1.325 1.00 0.00 C ATOM 1238 O GLU A 78 15.469 1.191 -2.057 1.00 0.00 O ATOM 1239 CB GLU A 78 15.711 4.436 -1.969 1.00 0.00 C ATOM 1240 CG GLU A 78 16.699 4.185 -3.096 1.00 0.00 C ATOM 1241 CD GLU A 78 18.111 4.604 -2.738 1.00 0.00 C ATOM 1242 OE1 GLU A 78 18.749 3.903 -1.926 1.00 0.00 O ATOM 1243 OE2 GLU A 78 18.578 5.633 -3.269 1.00 0.00 O ATOM 0 H GLU A 78 13.731 4.546 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 78 14.215 3.222 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.287 5.434 -2.084 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.245 4.424 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.692 3.125 -3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.377 4.729 -3.984 1.00 0.00 H new ATOM 1250 N LYS A 79 15.074 2.011 0.000 1.00 0.00 N ATOM 1251 CA LYS A 79 15.535 0.810 0.687 1.00 0.00 C ATOM 1252 C LYS A 79 14.366 -0.105 1.044 1.00 0.00 C ATOM 1253 O LYS A 79 14.327 -1.265 0.635 1.00 0.00 O ATOM 1254 CB LYS A 79 16.307 1.186 1.955 1.00 0.00 C ATOM 1255 CG LYS A 79 17.406 0.199 2.312 1.00 0.00 C ATOM 1256 CD LYS A 79 18.691 0.911 2.707 1.00 0.00 C ATOM 1257 CE LYS A 79 18.697 1.272 4.183 1.00 0.00 C ATOM 1258 NZ LYS A 79 20.039 1.074 4.798 1.00 0.00 N ATOM 0 H LYS A 79 14.755 2.756 0.620 1.00 0.00 H new ATOM 0 HA LYS A 79 16.197 0.271 0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.747 2.175 1.823 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.608 1.256 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 79 17.073 -0.435 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.598 -0.455 1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 79 19.545 0.272 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.805 1.816 2.110 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.392 2.312 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.963 0.662 4.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.058 1.517 5.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.232 0.056 4.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 20.765 1.511 4.195 1.00 0.00 H new ATOM 1272 N TYR A 80 13.418 0.424 1.811 1.00 0.00 N ATOM 1273 CA TYR A 80 12.252 -0.345 2.228 1.00 0.00 C ATOM 1274 C TYR A 80 11.239 -0.475 1.093 1.00 0.00 C ATOM 1275 O TYR A 80 10.446 -1.415 1.062 1.00 0.00 O ATOM 1276 CB TYR A 80 11.591 0.306 3.444 1.00 0.00 C ATOM 1277 CG TYR A 80 12.547 0.565 4.587 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.466 -0.400 4.979 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.533 1.774 5.270 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.343 -0.167 6.023 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.406 2.015 6.314 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.309 1.040 6.686 1.00 0.00 C ATOM 1283 OH TYR A 80 15.179 1.276 7.724 1.00 0.00 O ATOM 0 H TYR A 80 13.435 1.384 2.157 1.00 0.00 H new ATOM 0 HA TYR A 80 12.593 -1.345 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.138 1.250 3.139 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.783 -0.336 3.795 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.496 -1.347 4.461 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.828 2.539 4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 80 15.051 -0.928 6.317 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.382 2.960 6.835 1.00 0.00 H new ATOM 0 HH TYR A 80 15.025 2.175 8.082 1.00 0.00 H new ATOM 1293 N GLY A 81 11.271 0.475 0.161 1.00 0.00 N ATOM 1294 CA GLY A 81 10.348 0.447 -0.964 1.00 0.00 C ATOM 1295 C GLY A 81 10.268 -0.916 -1.625 1.00 0.00 C ATOM 1296 O GLY A 81 9.179 -1.432 -1.870 1.00 0.00 O ATOM 0 H GLY A 81 11.918 1.263 0.164 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.355 0.738 -0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.660 1.186 -1.702 1.00 0.00 H new ATOM 1300 N ALA A 82 11.426 -1.501 -1.912 1.00 0.00 N ATOM 1301 CA ALA A 82 11.482 -2.811 -2.548 1.00 0.00 C ATOM 1302 C ALA A 82 10.746 -3.862 -1.721 1.00 0.00 C ATOM 1303 O ALA A 82 10.334 -4.898 -2.244 1.00 0.00 O ATOM 1304 CB ALA A 82 12.930 -3.228 -2.766 1.00 0.00 C ATOM 0 H ALA A 82 12.338 -1.089 -1.714 1.00 0.00 H new ATOM 0 HA ALA A 82 10.984 -2.738 -3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.959 -4.208 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.426 -2.499 -3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.443 -3.276 -1.806 1.00 0.00 H new ATOM 1310 N GLU A 83 10.587 -3.594 -0.428 1.00 0.00 N ATOM 1311 CA GLU A 83 9.904 -4.523 0.465 1.00 0.00 C ATOM 1312 C GLU A 83 8.436 -4.144 0.635 1.00 0.00 C ATOM 1313 O GLU A 83 7.543 -4.911 0.272 1.00 0.00 O ATOM 1314 CB GLU A 83 10.596 -4.554 1.829 1.00 0.00 C ATOM 1315 CG GLU A 83 10.761 -5.956 2.394 1.00 0.00 C ATOM 1316 CD GLU A 83 11.958 -6.682 1.813 1.00 0.00 C ATOM 1317 OE1 GLU A 83 12.245 -6.487 0.612 1.00 0.00 O ATOM 1318 OE2 GLU A 83 12.607 -7.446 2.558 1.00 0.00 O ATOM 0 H GLU A 83 10.921 -2.743 0.023 1.00 0.00 H new ATOM 0 HA GLU A 83 9.952 -5.515 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.578 -4.089 1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.021 -3.953 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.867 -5.897 3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.858 -6.533 2.193 1.00 0.00 H new ATOM 1325 N VAL A 84 8.187 -2.960 1.192 1.00 0.00 N ATOM 1326 CA VAL A 84 6.821 -2.490 1.411 1.00 0.00 C ATOM 1327 C VAL A 84 5.966 -2.657 0.157 1.00 0.00 C ATOM 1328 O VAL A 84 4.911 -3.290 0.196 1.00 0.00 O ATOM 1329 CB VAL A 84 6.779 -1.010 1.849 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.023 -0.887 3.347 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.781 -0.173 1.064 1.00 0.00 C ATOM 0 H VAL A 84 8.911 -2.311 1.499 1.00 0.00 H new ATOM 0 HA VAL A 84 6.415 -3.106 2.214 1.00 0.00 H new ATOM 0 HB VAL A 84 5.783 -0.623 1.631 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.990 0.163 3.636 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.253 -1.437 3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.002 -1.299 3.591 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.727 0.864 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.787 -0.556 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.546 -0.227 0.001 1.00 0.00 H new ATOM 1341 N ILE A 85 6.426 -2.085 -0.953 1.00 0.00 N ATOM 1342 CA ILE A 85 5.698 -2.174 -2.213 1.00 0.00 C ATOM 1343 C ILE A 85 5.475 -3.627 -2.619 1.00 0.00 C ATOM 1344 O ILE A 85 4.506 -3.944 -3.303 1.00 0.00 O ATOM 1345 CB ILE A 85 6.437 -1.440 -3.350 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.748 0.003 -2.939 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.605 -1.471 -4.625 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.253 0.865 -4.076 1.00 0.00 C ATOM 0 H ILE A 85 7.297 -1.557 -1.004 1.00 0.00 H new ATOM 0 HA ILE A 85 4.734 -1.692 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 85 7.380 -1.951 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.847 0.455 -2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.494 -0.008 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.138 -0.949 -5.420 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.433 -2.506 -4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.648 -0.980 -4.447 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.451 1.872 -3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.172 0.437 -4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.500 0.908 -4.863 1.00 0.00 H new ATOM 1360 N SER A 86 6.376 -4.507 -2.193 1.00 0.00 N ATOM 1361 CA SER A 86 6.261 -5.924 -2.514 1.00 0.00 C ATOM 1362 C SER A 86 4.953 -6.487 -1.970 1.00 0.00 C ATOM 1363 O SER A 86 4.354 -7.387 -2.559 1.00 0.00 O ATOM 1364 CB SER A 86 7.447 -6.699 -1.937 1.00 0.00 C ATOM 1365 OG SER A 86 7.871 -7.718 -2.825 1.00 0.00 O ATOM 0 H SER A 86 7.190 -4.265 -1.628 1.00 0.00 H new ATOM 0 HA SER A 86 6.265 -6.033 -3.598 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.273 -6.015 -1.743 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.167 -7.140 -0.980 1.00 0.00 H new ATOM 0 HG SER A 86 8.631 -8.197 -2.434 1.00 0.00 H new ATOM 1371 N VAL A 87 4.516 -5.945 -0.838 1.00 0.00 N ATOM 1372 CA VAL A 87 3.279 -6.377 -0.200 1.00 0.00 C ATOM 1373 C VAL A 87 2.085 -5.561 -0.694 1.00 0.00 C ATOM 1374 O VAL A 87 0.936 -5.981 -0.554 1.00 0.00 O ATOM 1375 CB VAL A 87 3.364 -6.251 1.332 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.183 -6.940 1.994 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.679 -6.823 1.844 1.00 0.00 C ATOM 0 H VAL A 87 5.005 -5.200 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 87 3.138 -7.424 -0.469 1.00 0.00 H new ATOM 0 HB VAL A 87 3.328 -5.193 1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.263 -6.839 3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.256 -6.479 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.182 -7.997 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.721 -6.725 2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.748 -7.876 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.511 -6.278 1.398 1.00 0.00 H new ATOM 1387 N LEU A 88 2.361 -4.388 -1.260 1.00 0.00 N ATOM 1388 CA LEU A 88 1.305 -3.513 -1.756 1.00 0.00 C ATOM 1389 C LEU A 88 0.912 -3.848 -3.192 1.00 0.00 C ATOM 1390 O LEU A 88 -0.160 -3.453 -3.654 1.00 0.00 O ATOM 1391 CB LEU A 88 1.745 -2.051 -1.665 1.00 0.00 C ATOM 1392 CG LEU A 88 1.688 -1.446 -0.259 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.031 -0.839 0.117 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.583 -0.401 -0.163 1.00 0.00 C ATOM 0 H LEU A 88 3.305 -4.023 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 88 0.429 -3.671 -1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.766 -1.970 -2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.116 -1.456 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 88 1.462 -2.246 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.971 -0.414 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.799 -1.613 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.288 -0.054 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.562 0.015 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.773 0.397 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.378 -0.866 -0.384 1.00 0.00 H new ATOM 1406 N GLN A 89 1.775 -4.571 -3.898 1.00 0.00 N ATOM 1407 CA GLN A 89 1.500 -4.946 -5.282 1.00 0.00 C ATOM 1408 C GLN A 89 0.116 -5.581 -5.407 1.00 0.00 C ATOM 1409 O GLN A 89 -0.591 -5.370 -6.394 1.00 0.00 O ATOM 1410 CB GLN A 89 2.568 -5.914 -5.793 1.00 0.00 C ATOM 1411 CG GLN A 89 2.483 -6.180 -7.287 1.00 0.00 C ATOM 1412 CD GLN A 89 2.660 -7.648 -7.630 1.00 0.00 C ATOM 1413 OE1 GLN A 89 3.241 -8.411 -6.858 1.00 0.00 O ATOM 1414 NE2 GLN A 89 2.159 -8.048 -8.792 1.00 0.00 N ATOM 0 H GLN A 89 2.667 -4.908 -3.537 1.00 0.00 H new ATOM 0 HA GLN A 89 1.522 -4.041 -5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.553 -5.511 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.476 -6.859 -5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.517 -5.838 -7.659 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.247 -5.596 -7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 89 1.685 -7.380 -9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 89 2.248 -9.023 -9.077 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.261 -6.357 -4.397 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.559 -7.024 -4.386 1.00 0.00 C ATOM 1425 C LYS A 90 -2.694 -6.005 -4.392 1.00 0.00 C ATOM 1426 O LYS A 90 -3.656 -6.139 -5.148 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.679 -7.931 -3.160 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.438 -8.768 -2.897 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.764 -10.006 -2.077 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.667 -9.729 -0.587 1.00 0.00 C ATOM 1431 NZ LYS A 90 -0.106 -10.889 0.159 1.00 0.00 N ATOM 0 H LYS A 90 0.314 -6.540 -3.574 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.635 -7.632 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.885 -7.317 -2.283 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.533 -8.595 -3.292 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.009 -9.066 -3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.303 -8.166 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.770 -10.350 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.079 -10.811 -2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.040 -8.853 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.657 -9.491 -0.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.007 -10.635 1.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.752 -11.700 0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.820 -11.143 -0.240 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.575 -4.984 -3.546 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.595 -3.944 -3.460 1.00 0.00 C ATOM 1447 C TYR A 91 -3.811 -3.285 -4.818 1.00 0.00 C ATOM 1448 O TYR A 91 -4.946 -3.027 -5.220 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.202 -2.883 -2.427 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.570 -3.444 -1.170 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.870 -4.726 -0.722 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.665 -2.689 -0.436 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.285 -5.236 0.423 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.077 -3.193 0.709 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.389 -4.466 1.133 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.802 -4.972 2.269 1.00 0.00 O ATOM 0 H TYR A 91 -1.785 -4.856 -2.913 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.526 -4.415 -3.145 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.506 -2.183 -2.889 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.090 -2.314 -2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.571 -5.333 -1.277 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.416 -1.691 -0.765 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.529 -6.233 0.759 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.376 -2.591 1.269 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.195 -4.303 2.650 1.00 0.00 H new ATOM 1466 N SER A 92 -2.714 -3.017 -5.521 1.00 0.00 N ATOM 1467 CA SER A 92 -2.784 -2.392 -6.837 1.00 0.00 C ATOM 1468 C SER A 92 -3.672 -3.202 -7.774 1.00 0.00 C ATOM 1469 O SER A 92 -4.323 -2.652 -8.662 1.00 0.00 O ATOM 1470 CB SER A 92 -1.382 -2.254 -7.436 1.00 0.00 C ATOM 1471 OG SER A 92 -1.443 -1.822 -8.784 1.00 0.00 O ATOM 0 H SER A 92 -1.768 -3.223 -5.201 1.00 0.00 H new ATOM 0 HA SER A 92 -3.219 -1.400 -6.719 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.801 -1.543 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.864 -3.211 -7.381 1.00 0.00 H new ATOM 0 HG SER A 92 -0.535 -1.740 -9.143 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.698 -4.515 -7.565 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.512 -5.403 -8.387 1.00 0.00 C ATOM 1479 C GLU A 93 -5.984 -5.311 -7.990 1.00 0.00 C ATOM 1480 O GLU A 93 -6.873 -5.537 -8.811 1.00 0.00 O ATOM 1481 CB GLU A 93 -4.020 -6.847 -8.254 1.00 0.00 C ATOM 1482 CG GLU A 93 -3.223 -7.330 -9.452 1.00 0.00 C ATOM 1483 CD GLU A 93 -1.812 -6.772 -9.477 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -1.638 -5.618 -9.923 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -0.882 -7.489 -9.052 1.00 0.00 O ATOM 0 H GLU A 93 -3.165 -4.987 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.416 -5.090 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.403 -6.931 -7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.879 -7.503 -8.111 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.179 -8.419 -9.439 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.740 -7.042 -10.368 1.00 0.00 H new ATOM 1492 N TRP A 94 -6.233 -4.979 -6.727 1.00 0.00 N ATOM 1493 CA TRP A 94 -7.596 -4.857 -6.220 1.00 0.00 C ATOM 1494 C TRP A 94 -8.087 -3.410 -6.278 1.00 0.00 C ATOM 1495 O TRP A 94 -9.249 -3.131 -5.987 1.00 0.00 O ATOM 1496 CB TRP A 94 -7.675 -5.376 -4.784 1.00 0.00 C ATOM 1497 CG TRP A 94 -7.611 -6.870 -4.689 1.00 0.00 C ATOM 1498 CD1 TRP A 94 -6.530 -7.662 -4.946 1.00 0.00 C ATOM 1499 CD2 TRP A 94 -8.675 -7.752 -4.313 1.00 0.00 C ATOM 1500 NE1 TRP A 94 -6.856 -8.982 -4.752 1.00 0.00 N ATOM 1501 CE2 TRP A 94 -8.166 -9.065 -4.362 1.00 0.00 C ATOM 1502 CE3 TRP A 94 -10.008 -7.561 -3.936 1.00 0.00 C ATOM 1503 CZ2 TRP A 94 -8.944 -10.176 -4.052 1.00 0.00 C ATOM 1504 CZ3 TRP A 94 -10.778 -8.666 -3.629 1.00 0.00 C ATOM 1505 CH2 TRP A 94 -10.244 -9.959 -3.686 1.00 0.00 C ATOM 0 H TRP A 94 -5.508 -4.789 -6.035 1.00 0.00 H new ATOM 0 HA TRP A 94 -8.242 -5.460 -6.858 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.858 -4.947 -4.205 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -8.604 -5.030 -4.330 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -5.560 -7.303 -5.257 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -6.224 -9.773 -4.878 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.428 -6.567 -3.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -8.536 -11.175 -4.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -11.810 -8.530 -3.340 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -10.871 -10.802 -3.436 1.00 0.00 H new ATOM 1516 N THR A 95 -7.199 -2.492 -6.652 1.00 0.00 N ATOM 1517 CA THR A 95 -7.555 -1.079 -6.744 1.00 0.00 C ATOM 1518 C THR A 95 -8.451 -0.820 -7.950 1.00 0.00 C ATOM 1519 O THR A 95 -9.457 -0.117 -7.848 1.00 0.00 O ATOM 1520 CB THR A 95 -6.293 -0.219 -6.838 1.00 0.00 C ATOM 1521 OG1 THR A 95 -5.310 -0.671 -5.924 1.00 0.00 O ATOM 1522 CG2 THR A 95 -6.547 1.246 -6.555 1.00 0.00 C ATOM 0 H THR A 95 -6.231 -2.701 -6.896 1.00 0.00 H new ATOM 0 HA THR A 95 -8.104 -0.810 -5.842 1.00 0.00 H new ATOM 0 HB THR A 95 -5.949 -0.319 -7.867 1.00 0.00 H new ATOM 0 HG1 THR A 95 -5.238 -0.036 -5.181 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.612 1.800 -6.638 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.265 1.637 -7.276 1.00 0.00 H new ATOM 0 HG23 THR A 95 -6.947 1.358 -5.547 1.00 0.00 H new ATOM 1530 N SER A 96 -8.079 -1.391 -9.090 1.00 0.00 N ATOM 1531 CA SER A 96 -8.850 -1.220 -10.317 1.00 0.00 C ATOM 1532 C SER A 96 -10.006 -2.216 -10.377 1.00 0.00 C ATOM 1533 O SER A 96 -9.929 -3.305 -9.808 1.00 0.00 O ATOM 1534 CB SER A 96 -7.945 -1.391 -11.539 1.00 0.00 C ATOM 1535 OG SER A 96 -8.166 -0.361 -12.487 1.00 0.00 O ATOM 0 H SER A 96 -7.249 -1.976 -9.191 1.00 0.00 H new ATOM 0 HA SER A 96 -9.265 -0.212 -10.320 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.901 -1.383 -11.226 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.132 -2.360 -12.001 1.00 0.00 H new ATOM 0 HG SER A 96 -7.574 -0.493 -13.257 1.00 0.00 H new ATOM 1541 N PRO A 97 -11.099 -1.854 -11.074 1.00 0.00 N ATOM 1542 CA PRO A 97 -12.273 -2.724 -11.206 1.00 0.00 C ATOM 1543 C PRO A 97 -11.966 -3.996 -11.987 1.00 0.00 C ATOM 1544 O PRO A 97 -10.840 -4.202 -12.439 1.00 0.00 O ATOM 1545 CB PRO A 97 -13.280 -1.857 -11.970 1.00 0.00 C ATOM 1546 CG PRO A 97 -12.454 -0.840 -12.677 1.00 0.00 C ATOM 1547 CD PRO A 97 -11.273 -0.576 -11.785 1.00 0.00 C ATOM 0 HA PRO A 97 -12.636 -3.065 -10.236 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.860 -2.453 -12.674 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.990 -1.386 -11.291 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.133 -1.207 -13.652 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.023 0.073 -12.852 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.386 -0.310 -12.359 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.464 0.246 -11.095 1.00 0.00 H new ATOM 1555 N ALA A 98 -12.974 -4.847 -12.142 1.00 0.00 N ATOM 1556 CA ALA A 98 -12.812 -6.100 -12.868 1.00 0.00 C ATOM 1557 C ALA A 98 -11.768 -6.989 -12.200 1.00 0.00 C ATOM 1558 O ALA A 98 -11.165 -6.608 -11.196 1.00 0.00 O ATOM 1559 CB ALA A 98 -12.427 -5.827 -14.314 1.00 0.00 C ATOM 0 H ALA A 98 -13.913 -4.691 -11.774 1.00 0.00 H new ATOM 0 HA ALA A 98 -13.766 -6.627 -12.851 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.309 -6.772 -14.844 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.208 -5.237 -14.793 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.487 -5.276 -14.342 1.00 0.00 H new ATOM 1565 N GLU A 99 -11.558 -8.176 -12.762 1.00 0.00 N ATOM 1566 CA GLU A 99 -10.588 -9.117 -12.219 1.00 0.00 C ATOM 1567 C GLU A 99 -9.536 -9.478 -13.266 1.00 0.00 C ATOM 1568 O GLU A 99 -8.337 -9.462 -12.986 1.00 0.00 O ATOM 1569 CB GLU A 99 -11.292 -10.385 -11.729 1.00 0.00 C ATOM 1570 CG GLU A 99 -10.507 -11.147 -10.675 1.00 0.00 C ATOM 1571 CD GLU A 99 -11.396 -11.713 -9.584 1.00 0.00 C ATOM 1572 OE1 GLU A 99 -11.982 -10.917 -8.822 1.00 0.00 O ATOM 1573 OE2 GLU A 99 -11.506 -12.954 -9.493 1.00 0.00 O ATOM 0 H GLU A 99 -12.047 -8.507 -13.593 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.089 -8.639 -11.376 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -12.266 -10.115 -11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -11.474 -11.041 -12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -9.960 -11.960 -11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -9.767 -10.484 -10.228 1.00 0.00 H new ATOM 1580 N ASP A 100 -9.995 -9.803 -14.470 1.00 0.00 N ATOM 1581 CA ASP A 100 -9.094 -10.168 -15.557 1.00 0.00 C ATOM 1582 C ASP A 100 -9.788 -10.033 -16.908 1.00 0.00 C ATOM 1583 O ASP A 100 -11.017 -10.047 -16.990 1.00 0.00 O ATOM 1584 CB ASP A 100 -8.589 -11.600 -15.370 1.00 0.00 C ATOM 1585 CG ASP A 100 -7.138 -11.759 -15.775 1.00 0.00 C ATOM 1586 OD1 ASP A 100 -6.371 -10.784 -15.634 1.00 0.00 O ATOM 1587 OD2 ASP A 100 -6.766 -12.860 -16.235 1.00 0.00 O ATOM 0 H ASP A 100 -10.984 -9.821 -14.717 1.00 0.00 H new ATOM 0 HA ASP A 100 -8.245 -9.485 -15.536 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.706 -11.890 -14.326 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.204 -12.279 -15.960 1.00 0.00 H new ATOM 1592 N SER A 101 -8.994 -9.900 -17.965 1.00 0.00 N ATOM 1593 CA SER A 101 -9.532 -9.762 -19.313 1.00 0.00 C ATOM 1594 C SER A 101 -8.855 -10.735 -20.272 1.00 0.00 C ATOM 1595 O SER A 101 -9.574 -11.405 -21.042 1.00 0.00 O ATOM 1596 CB SER A 101 -9.350 -8.328 -19.812 1.00 0.00 C ATOM 1597 OG SER A 101 -10.488 -7.536 -19.512 1.00 0.00 O ATOM 1598 OXT SER A 101 -7.608 -10.820 -20.244 1.00 0.00 O ATOM 0 H SER A 101 -7.975 -9.885 -17.914 1.00 0.00 H new ATOM 0 HA SER A 101 -10.596 -9.996 -19.278 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.465 -7.889 -19.351 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.180 -8.333 -20.889 1.00 0.00 H new ATOM 0 HG SER A 101 -10.347 -6.623 -19.839 1.00 0.00 H new TER 1604 SER A 101