USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 832 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 37 THR OG1 : rot 180:sc= -0.666 USER MOD Set 1.2: A 39 ASN : amide:sc= -0.487 X(o=-1.2,f=-0.87) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET 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 :FLIP amide:sc= 0.0432 F(o=-0.52,f=0.043) USER MOD Single : A 11 SER OG : rot 20:sc= -4.44! USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 158:sc= -12.4! USER MOD Single : A 31 TYR OH : rot -116:sc= -14.2! USER MOD Single : A 32 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.38) USER MOD Single : A 40 HIS : no HD1:sc= -25.4! C(o=-25!,f=-40!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 45 ASN : amide:sc= -4.1! C(o=-4.1!,f=-4.7!) USER MOD Single : A 47 GLN :FLIP amide:sc= -9.54! C(o=-12!,f=-9.5!) USER MOD Single : A 48 THR OG1 : rot 88:sc= 1.08 USER MOD Single : A 49 THR OG1 : rot -69:sc= 0.135 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 92:sc= 0.0683 USER MOD Single : A 55 MET CE :methyl 171:sc= -2.99! (180deg=-3.15!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -53:sc= -3.41! USER MOD Single : A 77 GLN : amide:sc= -0.0937 K(o=-0.094,f=-0.79) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 134:sc= -0.271 (180deg=-2.23!) USER MOD Single : A 88 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.111) USER MOD Single : A 94 MET CE :methyl 178:sc= 0 (180deg=-0.0102) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.550 15.139 24.241 1.00 0.00 N ATOM 2 CA MET A 1 -18.234 15.441 23.619 1.00 0.00 C ATOM 3 C MET A 1 -17.285 16.088 24.624 1.00 0.00 C ATOM 4 O MET A 1 -16.797 17.197 24.407 1.00 0.00 O ATOM 5 CB MET A 1 -18.462 16.375 22.429 1.00 0.00 C ATOM 6 CG MET A 1 -17.190 16.719 21.671 1.00 0.00 C ATOM 7 SD MET A 1 -17.465 16.898 19.897 1.00 0.00 S ATOM 8 CE MET A 1 -17.244 18.663 19.695 1.00 0.00 C ATOM 0 H1 MET A 1 -20.175 14.700 23.535 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.415 14.485 25.038 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.982 16.020 24.585 1.00 0.00 H new ATOM 0 HA MET A 1 -17.773 14.512 23.285 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.169 15.909 21.743 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.923 17.296 22.785 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.776 17.647 22.066 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.447 15.940 21.843 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.383 18.930 18.647 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.976 19.193 20.305 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.239 18.942 20.010 1.00 0.00 H new ATOM 20 N GLU A 2 -17.028 15.387 25.725 1.00 0.00 N ATOM 21 CA GLU A 2 -16.138 15.894 26.763 1.00 0.00 C ATOM 22 C GLU A 2 -15.429 14.749 27.480 1.00 0.00 C ATOM 23 O GLU A 2 -16.071 13.842 28.011 1.00 0.00 O ATOM 24 CB GLU A 2 -16.922 16.736 27.772 1.00 0.00 C ATOM 25 CG GLU A 2 -16.076 17.784 28.479 1.00 0.00 C ATOM 26 CD GLU A 2 -15.888 19.040 27.650 1.00 0.00 C ATOM 27 OE1 GLU A 2 -16.524 19.146 26.580 1.00 0.00 O ATOM 28 OE2 GLU A 2 -15.104 19.917 28.070 1.00 0.00 O ATOM 0 H GLU A 2 -17.423 14.467 25.920 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.385 16.521 26.285 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -17.745 17.232 27.257 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -17.365 16.075 28.517 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -16.546 18.046 29.427 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.100 17.359 28.714 1.00 0.00 H new ATOM 35 N ALA A 3 -14.101 14.797 27.490 1.00 0.00 N ATOM 36 CA ALA A 3 -13.300 13.766 28.139 1.00 0.00 C ATOM 37 C ALA A 3 -13.676 12.377 27.635 1.00 0.00 C ATOM 38 O ALA A 3 -14.549 11.715 28.197 1.00 0.00 O ATOM 39 CB ALA A 3 -13.463 13.844 29.650 1.00 0.00 C ATOM 0 H ALA A 3 -13.556 15.541 27.055 1.00 0.00 H new ATOM 0 HA ALA A 3 -12.254 13.943 27.887 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.859 13.068 30.122 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -13.136 14.823 30.001 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -14.511 13.697 29.911 1.00 0.00 H new ATOM 45 N ARG A 4 -13.007 11.943 26.574 1.00 0.00 N ATOM 46 CA ARG A 4 -13.262 10.632 25.989 1.00 0.00 C ATOM 47 C ARG A 4 -11.972 10.032 25.442 1.00 0.00 C ATOM 48 O ARG A 4 -11.421 9.089 26.013 1.00 0.00 O ATOM 49 CB ARG A 4 -14.304 10.742 24.875 1.00 0.00 C ATOM 50 CG ARG A 4 -14.431 9.483 24.035 1.00 0.00 C ATOM 51 CD ARG A 4 -15.583 9.589 23.049 1.00 0.00 C ATOM 52 NE ARG A 4 -16.063 8.278 22.627 1.00 0.00 N ATOM 53 CZ ARG A 4 -17.216 8.084 21.994 1.00 0.00 C ATOM 54 NH1 ARG A 4 -17.997 9.116 21.704 1.00 0.00 N ATOM 55 NH2 ARG A 4 -17.586 6.858 21.649 1.00 0.00 N ATOM 0 H ARG A 4 -12.282 12.481 26.100 1.00 0.00 H new ATOM 0 HA ARG A 4 -13.648 9.976 26.769 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -15.273 10.973 25.317 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -14.042 11.577 24.225 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -13.501 9.310 23.493 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -14.585 8.623 24.687 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -16.402 10.145 23.506 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -15.261 10.156 22.175 1.00 0.00 H new ATOM 0 HE ARG A 4 -15.482 7.465 22.829 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -17.713 10.060 21.967 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -18.881 8.966 21.218 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -16.986 6.063 21.869 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -18.471 6.710 21.163 1.00 0.00 H new ATOM 69 N ASP A 5 -11.486 10.595 24.341 1.00 0.00 N ATOM 70 CA ASP A 5 -10.251 10.125 23.729 1.00 0.00 C ATOM 71 C ASP A 5 -9.069 10.506 24.604 1.00 0.00 C ATOM 72 O ASP A 5 -8.063 9.799 24.663 1.00 0.00 O ATOM 73 CB ASP A 5 -10.086 10.721 22.330 1.00 0.00 C ATOM 74 CG ASP A 5 -10.821 9.923 21.271 1.00 0.00 C ATOM 75 OD1 ASP A 5 -10.979 8.698 21.454 1.00 0.00 O ATOM 76 OD2 ASP A 5 -11.239 10.524 20.260 1.00 0.00 O ATOM 0 H ASP A 5 -11.928 11.376 23.856 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.294 9.040 23.637 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.455 11.747 22.329 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.026 10.763 22.079 1.00 0.00 H new ATOM 81 N LYS A 6 -9.211 11.632 25.293 1.00 0.00 N ATOM 82 CA LYS A 6 -8.182 12.127 26.183 1.00 0.00 C ATOM 83 C LYS A 6 -8.120 11.281 27.448 1.00 0.00 C ATOM 84 O LYS A 6 -7.077 11.182 28.094 1.00 0.00 O ATOM 85 CB LYS A 6 -8.481 13.580 26.538 1.00 0.00 C ATOM 86 CG LYS A 6 -9.894 13.794 27.055 1.00 0.00 C ATOM 87 CD LYS A 6 -9.914 13.952 28.564 1.00 0.00 C ATOM 88 CE LYS A 6 -10.070 15.408 28.972 1.00 0.00 C ATOM 89 NZ LYS A 6 -8.760 16.038 29.295 1.00 0.00 N ATOM 0 H LYS A 6 -10.042 12.222 25.247 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.216 12.065 25.683 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.770 13.916 27.293 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.326 14.202 25.656 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.323 14.681 26.589 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.520 12.949 26.768 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.734 13.367 28.981 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.991 13.553 28.985 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.550 15.962 28.165 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.728 15.474 29.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.910 17.030 29.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.313 15.526 30.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.141 15.999 28.460 1.00 0.00 H new ATOM 103 N GLN A 7 -9.251 10.671 27.795 1.00 0.00 N ATOM 104 CA GLN A 7 -9.332 9.830 28.983 1.00 0.00 C ATOM 105 C GLN A 7 -8.555 8.540 28.786 1.00 0.00 C ATOM 106 O GLN A 7 -7.873 8.064 29.694 1.00 0.00 O ATOM 107 CB GLN A 7 -10.791 9.523 29.322 1.00 0.00 C ATOM 108 CG GLN A 7 -11.342 10.367 30.460 1.00 0.00 C ATOM 109 CD GLN A 7 -10.406 10.422 31.650 1.00 0.00 C ATOM 110 OE1 GLN A 7 -10.073 11.631 32.086 1.00 0.00 O flip ATOM 111 NE2 GLN A 7 -9.986 9.389 32.173 1.00 0.00 N flip ATOM 0 H GLN A 7 -10.122 10.744 27.270 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.886 10.375 29.815 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.403 9.682 28.434 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -10.880 8.469 29.586 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.527 11.379 30.100 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.303 9.961 30.776 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.268 8.480 31.805 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.356 9.442 32.974 1.00 0.00 H new ATOM 120 N VAL A 8 -8.646 7.994 27.587 1.00 0.00 N ATOM 121 CA VAL A 8 -7.940 6.776 27.248 1.00 0.00 C ATOM 122 C VAL A 8 -6.451 7.042 27.256 1.00 0.00 C ATOM 123 O VAL A 8 -5.676 6.336 27.901 1.00 0.00 O ATOM 124 CB VAL A 8 -8.348 6.260 25.862 1.00 0.00 C ATOM 125 CG1 VAL A 8 -8.175 4.761 25.795 1.00 0.00 C ATOM 126 CG2 VAL A 8 -9.781 6.649 25.546 1.00 0.00 C ATOM 0 H VAL A 8 -9.207 8.380 26.828 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.197 6.018 27.988 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.701 6.719 25.115 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.467 4.405 24.807 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.131 4.507 25.978 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.802 4.288 26.551 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -10.051 6.274 24.559 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.448 6.218 26.293 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.875 7.735 25.559 1.00 0.00 H new ATOM 136 N LEU A 9 -6.065 8.094 26.553 1.00 0.00 N ATOM 137 CA LEU A 9 -4.681 8.495 26.492 1.00 0.00 C ATOM 138 C LEU A 9 -4.064 8.396 27.872 1.00 0.00 C ATOM 139 O LEU A 9 -3.239 7.528 28.137 1.00 0.00 O ATOM 140 CB LEU A 9 -4.591 9.933 25.999 1.00 0.00 C ATOM 141 CG LEU A 9 -4.136 10.093 24.557 1.00 0.00 C ATOM 142 CD1 LEU A 9 -2.710 9.598 24.395 1.00 0.00 C ATOM 143 CD2 LEU A 9 -5.070 9.350 23.618 1.00 0.00 C ATOM 0 H LEU A 9 -6.700 8.685 26.016 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.144 7.840 25.806 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.570 10.400 26.109 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.903 10.479 26.644 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.165 11.152 24.300 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.399 9.719 23.357 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.049 10.175 25.042 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.657 8.544 24.669 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.729 9.476 22.590 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.074 8.290 23.872 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.079 9.750 23.717 1.00 0.00 H new ATOM 155 N ARG A 10 -4.496 9.303 28.741 1.00 0.00 N ATOM 156 CA ARG A 10 -4.018 9.366 30.121 1.00 0.00 C ATOM 157 C ARG A 10 -3.957 7.982 30.768 1.00 0.00 C ATOM 158 O ARG A 10 -2.888 7.525 31.183 1.00 0.00 O ATOM 159 CB ARG A 10 -4.929 10.279 30.944 1.00 0.00 C ATOM 160 CG ARG A 10 -4.174 11.274 31.810 1.00 0.00 C ATOM 161 CD ARG A 10 -4.995 11.694 33.019 1.00 0.00 C ATOM 162 NE ARG A 10 -4.771 10.816 34.164 1.00 0.00 N ATOM 163 CZ ARG A 10 -3.595 10.682 34.769 1.00 0.00 C ATOM 164 NH1 ARG A 10 -2.545 11.365 34.336 1.00 0.00 N ATOM 165 NH2 ARG A 10 -3.470 9.864 35.806 1.00 0.00 N ATOM 0 H ARG A 10 -5.188 10.016 28.510 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.006 9.769 30.101 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.588 10.825 30.269 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.565 9.664 31.582 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.235 10.830 32.142 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.919 12.153 31.218 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.740 12.718 33.292 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.053 11.687 32.759 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.560 10.276 34.519 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.639 11.994 33.538 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.643 11.262 34.800 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.277 9.337 36.140 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.567 9.762 36.269 1.00 0.00 H new ATOM 179 N SER A 11 -5.107 7.321 30.865 1.00 0.00 N ATOM 180 CA SER A 11 -5.168 5.997 31.473 1.00 0.00 C ATOM 181 C SER A 11 -3.973 5.154 31.045 1.00 0.00 C ATOM 182 O SER A 11 -2.996 5.013 31.784 1.00 0.00 O ATOM 183 CB SER A 11 -6.472 5.292 31.093 1.00 0.00 C ATOM 184 OG SER A 11 -6.855 5.608 29.766 1.00 0.00 O ATOM 0 H SER A 11 -6.003 7.678 30.533 1.00 0.00 H new ATOM 0 HA SER A 11 -5.138 6.118 32.556 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.348 4.214 31.192 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.263 5.587 31.783 1.00 0.00 H new ATOM 0 HG SER A 11 -6.075 5.931 29.269 1.00 0.00 H new ATOM 190 N LEU A 12 -4.055 4.600 29.843 1.00 0.00 N ATOM 191 CA LEU A 12 -2.982 3.777 29.312 1.00 0.00 C ATOM 192 C LEU A 12 -1.684 4.572 29.225 1.00 0.00 C ATOM 193 O LEU A 12 -0.599 3.997 29.157 1.00 0.00 O ATOM 194 CB LEU A 12 -3.365 3.240 27.931 1.00 0.00 C ATOM 195 CG LEU A 12 -4.001 1.848 27.926 1.00 0.00 C ATOM 196 CD1 LEU A 12 -2.962 0.792 27.589 1.00 0.00 C ATOM 197 CD2 LEU A 12 -4.653 1.549 29.269 1.00 0.00 C ATOM 0 H LEU A 12 -4.854 4.707 29.219 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.825 2.937 29.989 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.059 3.940 27.466 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.471 3.216 27.308 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.776 1.827 27.160 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.430 -0.192 27.590 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.544 0.994 26.603 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.165 0.815 28.332 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.099 0.555 29.244 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.900 1.589 30.056 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.428 2.289 29.470 1.00 0.00 H new ATOM 209 N ARG A 13 -1.800 5.897 29.227 1.00 0.00 N ATOM 210 CA ARG A 13 -0.623 6.759 29.145 1.00 0.00 C ATOM 211 C ARG A 13 0.501 6.226 30.018 1.00 0.00 C ATOM 212 O ARG A 13 1.552 5.818 29.522 1.00 0.00 O ATOM 213 CB ARG A 13 -0.955 8.190 29.577 1.00 0.00 C ATOM 214 CG ARG A 13 -0.269 9.246 28.734 1.00 0.00 C ATOM 215 CD ARG A 13 -0.039 10.529 29.517 1.00 0.00 C ATOM 216 NE ARG A 13 1.377 10.879 29.589 1.00 0.00 N ATOM 217 CZ ARG A 13 2.189 10.488 30.568 1.00 0.00 C ATOM 218 NH1 ARG A 13 1.727 9.735 31.559 1.00 0.00 N ATOM 219 NH2 ARG A 13 3.465 10.848 30.557 1.00 0.00 N ATOM 0 H ARG A 13 -2.689 6.395 29.284 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.300 6.766 28.104 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.034 8.337 29.524 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.666 8.323 30.620 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.686 8.862 28.376 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.876 9.460 27.854 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.591 11.344 29.048 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.436 10.414 30.526 1.00 0.00 H new ATOM 0 HE ARG A 13 1.767 11.457 28.845 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.747 9.454 31.572 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.353 9.437 32.308 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.825 11.425 29.797 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.086 10.548 31.308 1.00 0.00 H new ATOM 233 N LEU A 14 0.276 6.247 31.325 1.00 0.00 N ATOM 234 CA LEU A 14 1.269 5.782 32.278 1.00 0.00 C ATOM 235 C LEU A 14 1.271 4.259 32.392 1.00 0.00 C ATOM 236 O LEU A 14 2.304 3.654 32.670 1.00 0.00 O ATOM 237 CB LEU A 14 0.996 6.401 33.644 1.00 0.00 C ATOM 238 CG LEU A 14 -0.059 5.669 34.466 1.00 0.00 C ATOM 239 CD1 LEU A 14 0.535 5.163 35.771 1.00 0.00 C ATOM 240 CD2 LEU A 14 -1.252 6.575 34.733 1.00 0.00 C ATOM 0 H LEU A 14 -0.589 6.583 31.748 1.00 0.00 H new ATOM 0 HA LEU A 14 2.251 6.091 31.919 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.927 6.427 34.210 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.678 7.434 33.505 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.405 4.809 33.893 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.234 4.644 36.343 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.354 4.476 35.556 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.911 6.006 36.351 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.994 6.035 35.321 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.924 7.456 35.284 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.694 6.883 33.786 1.00 0.00 H new ATOM 252 N GLU A 15 0.110 3.641 32.187 1.00 0.00 N ATOM 253 CA GLU A 15 0.005 2.190 32.283 1.00 0.00 C ATOM 254 C GLU A 15 1.079 1.526 31.438 1.00 0.00 C ATOM 255 O GLU A 15 1.956 0.834 31.957 1.00 0.00 O ATOM 256 CB GLU A 15 -1.382 1.718 31.843 1.00 0.00 C ATOM 257 CG GLU A 15 -2.028 0.742 32.814 1.00 0.00 C ATOM 258 CD GLU A 15 -2.334 -0.599 32.176 1.00 0.00 C ATOM 259 OE1 GLU A 15 -3.394 -0.720 31.526 1.00 0.00 O ATOM 260 OE2 GLU A 15 -1.515 -1.530 32.328 1.00 0.00 O ATOM 0 H GLU A 15 -0.762 4.118 31.956 1.00 0.00 H new ATOM 0 HA GLU A 15 0.151 1.904 33.325 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.032 2.585 31.726 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.302 1.245 30.864 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.366 0.592 33.667 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.951 1.176 33.199 1.00 0.00 H new ATOM 267 N LEU A 16 1.015 1.756 30.135 1.00 0.00 N ATOM 268 CA LEU A 16 1.992 1.199 29.215 1.00 0.00 C ATOM 269 C LEU A 16 3.191 2.130 29.100 1.00 0.00 C ATOM 270 O LEU A 16 4.243 1.748 28.588 1.00 0.00 O ATOM 271 CB LEU A 16 1.367 0.986 27.839 1.00 0.00 C ATOM 272 CG LEU A 16 0.473 2.126 27.353 1.00 0.00 C ATOM 273 CD1 LEU A 16 1.252 3.431 27.309 1.00 0.00 C ATOM 274 CD2 LEU A 16 -0.109 1.800 25.987 1.00 0.00 C ATOM 0 H LEU A 16 0.295 2.326 29.691 1.00 0.00 H new ATOM 0 HA LEU A 16 2.324 0.236 29.602 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.166 0.836 27.113 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.780 0.068 27.861 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.351 2.244 28.056 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.600 4.232 26.961 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.619 3.670 28.307 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.096 3.328 26.627 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.743 2.622 25.656 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.701 1.655 25.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.702 0.888 26.053 1.00 0.00 H new ATOM 286 N GLY A 17 3.021 3.356 29.585 1.00 0.00 N ATOM 287 CA GLY A 17 4.099 4.325 29.531 1.00 0.00 C ATOM 288 C GLY A 17 5.055 4.181 30.700 1.00 0.00 C ATOM 289 O GLY A 17 6.223 4.561 30.607 1.00 0.00 O ATOM 0 H GLY A 17 2.159 3.694 30.013 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.648 4.204 28.597 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.681 5.332 29.527 1.00 0.00 H new ATOM 293 N ALA A 18 4.560 3.627 31.804 1.00 0.00 N ATOM 294 CA ALA A 18 5.380 3.433 32.993 1.00 0.00 C ATOM 295 C ALA A 18 6.248 2.187 32.865 1.00 0.00 C ATOM 296 O ALA A 18 7.160 1.969 33.663 1.00 0.00 O ATOM 297 CB ALA A 18 4.502 3.341 34.232 1.00 0.00 C ATOM 0 H ALA A 18 3.597 3.306 31.898 1.00 0.00 H new ATOM 0 HA ALA A 18 6.040 4.295 33.092 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.129 3.196 35.112 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.930 4.262 34.342 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.818 2.499 34.131 1.00 0.00 H new ATOM 303 N GLU A 19 5.957 1.371 31.858 1.00 0.00 N ATOM 304 CA GLU A 19 6.707 0.149 31.625 1.00 0.00 C ATOM 305 C GLU A 19 7.830 0.392 30.618 1.00 0.00 C ATOM 306 O GLU A 19 8.418 1.473 30.584 1.00 0.00 O ATOM 307 CB GLU A 19 5.763 -0.948 31.126 1.00 0.00 C ATOM 308 CG GLU A 19 6.075 -2.323 31.692 1.00 0.00 C ATOM 309 CD GLU A 19 4.878 -3.254 31.657 1.00 0.00 C ATOM 310 OE1 GLU A 19 4.406 -3.571 30.545 1.00 0.00 O ATOM 311 OE2 GLU A 19 4.414 -3.665 32.741 1.00 0.00 O ATOM 0 H GLU A 19 5.204 1.537 31.190 1.00 0.00 H new ATOM 0 HA GLU A 19 7.159 -0.174 32.563 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.739 -0.681 31.387 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.814 -0.992 30.038 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.893 -2.768 31.126 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.419 -2.219 32.721 1.00 0.00 H new ATOM 318 N VAL A 20 8.122 -0.612 29.801 1.00 0.00 N ATOM 319 CA VAL A 20 9.174 -0.500 28.797 1.00 0.00 C ATOM 320 C VAL A 20 8.809 -1.269 27.532 1.00 0.00 C ATOM 321 O VAL A 20 7.641 -1.582 27.301 1.00 0.00 O ATOM 322 CB VAL A 20 10.521 -1.024 29.330 1.00 0.00 C ATOM 323 CG1 VAL A 20 10.819 -0.437 30.701 1.00 0.00 C ATOM 324 CG2 VAL A 20 10.520 -2.545 29.380 1.00 0.00 C ATOM 0 H VAL A 20 7.645 -1.514 29.813 1.00 0.00 H new ATOM 0 HA VAL A 20 9.273 0.560 28.562 1.00 0.00 H new ATOM 0 HB VAL A 20 11.309 -0.707 28.647 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.774 -0.819 31.061 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.867 0.650 30.629 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.030 -0.720 31.397 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.479 -2.897 29.759 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.722 -2.887 30.039 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.358 -2.942 28.378 1.00 0.00 H new ATOM 334 N LEU A 21 9.816 -1.570 26.717 1.00 0.00 N ATOM 335 CA LEU A 21 9.605 -2.304 25.474 1.00 0.00 C ATOM 336 C LEU A 21 9.248 -1.356 24.332 1.00 0.00 C ATOM 337 O LEU A 21 9.494 -0.152 24.411 1.00 0.00 O ATOM 338 CB LEU A 21 8.498 -3.346 25.653 1.00 0.00 C ATOM 339 CG LEU A 21 8.753 -4.687 24.964 1.00 0.00 C ATOM 340 CD1 LEU A 21 9.108 -5.755 25.989 1.00 0.00 C ATOM 341 CD2 LEU A 21 7.537 -5.107 24.152 1.00 0.00 C ATOM 0 H LEU A 21 10.788 -1.316 26.896 1.00 0.00 H new ATOM 0 HA LEU A 21 10.536 -2.812 25.221 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.357 -3.524 26.719 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.565 -2.931 25.272 1.00 0.00 H new ATOM 0 HG LEU A 21 9.597 -4.571 24.284 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.286 -6.703 25.480 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.008 -5.458 26.528 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.285 -5.871 26.694 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.735 -6.063 23.668 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.675 -5.206 24.812 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.328 -4.353 23.393 1.00 0.00 H new ATOM 353 N VAL A 22 8.668 -1.909 23.272 1.00 0.00 N ATOM 354 CA VAL A 22 8.276 -1.116 22.112 1.00 0.00 C ATOM 355 C VAL A 22 9.444 -0.939 21.146 1.00 0.00 C ATOM 356 O VAL A 22 10.483 -0.388 21.508 1.00 0.00 O ATOM 357 CB VAL A 22 7.753 0.271 22.530 1.00 0.00 C ATOM 358 CG1 VAL A 22 7.046 0.947 21.366 1.00 0.00 C ATOM 359 CG2 VAL A 22 6.827 0.154 23.730 1.00 0.00 C ATOM 0 H VAL A 22 8.459 -2.904 23.192 1.00 0.00 H new ATOM 0 HA VAL A 22 7.475 -1.661 21.612 1.00 0.00 H new ATOM 0 HB VAL A 22 8.604 0.889 22.817 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.683 1.926 21.680 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.743 1.067 20.537 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.204 0.333 21.046 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.468 1.144 24.010 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.979 -0.481 23.474 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.370 -0.285 24.567 1.00 0.00 H new ATOM 369 N GLU A 23 9.265 -1.410 19.915 1.00 0.00 N ATOM 370 CA GLU A 23 10.305 -1.306 18.896 1.00 0.00 C ATOM 371 C GLU A 23 9.963 -0.228 17.872 1.00 0.00 C ATOM 372 O GLU A 23 9.925 -0.490 16.669 1.00 0.00 O ATOM 373 CB GLU A 23 10.495 -2.651 18.191 1.00 0.00 C ATOM 374 CG GLU A 23 9.208 -3.227 17.622 1.00 0.00 C ATOM 375 CD GLU A 23 9.417 -4.569 16.947 1.00 0.00 C ATOM 376 OE1 GLU A 23 10.319 -4.668 16.089 1.00 0.00 O ATOM 377 OE2 GLU A 23 8.679 -5.521 17.277 1.00 0.00 O ATOM 0 H GLU A 23 8.410 -1.867 19.599 1.00 0.00 H new ATOM 0 HA GLU A 23 11.235 -1.027 19.392 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.217 -2.530 17.384 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.922 -3.364 18.896 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.478 -3.338 18.424 1.00 0.00 H new ATOM 0 HG3 GLU A 23 8.787 -2.525 16.903 1.00 0.00 H new ATOM 384 N GLY A 24 9.718 0.986 18.356 1.00 0.00 N ATOM 385 CA GLY A 24 9.384 2.086 17.469 1.00 0.00 C ATOM 386 C GLY A 24 8.545 1.646 16.285 1.00 0.00 C ATOM 387 O GLY A 24 7.645 0.820 16.427 1.00 0.00 O ATOM 0 H GLY A 24 9.745 1.228 19.347 1.00 0.00 H new ATOM 0 HA2 GLY A 24 8.843 2.849 18.030 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.303 2.548 17.107 1.00 0.00 H new ATOM 391 N LEU A 25 8.840 2.202 15.114 1.00 0.00 N ATOM 392 CA LEU A 25 8.106 1.864 13.899 1.00 0.00 C ATOM 393 C LEU A 25 6.607 2.049 14.100 1.00 0.00 C ATOM 394 O LEU A 25 5.805 1.204 13.701 1.00 0.00 O ATOM 395 CB LEU A 25 8.405 0.424 13.477 1.00 0.00 C ATOM 396 CG LEU A 25 9.855 -0.020 13.670 1.00 0.00 C ATOM 397 CD1 LEU A 25 9.935 -1.532 13.817 1.00 0.00 C ATOM 398 CD2 LEU A 25 10.713 0.450 12.506 1.00 0.00 C ATOM 0 H LEU A 25 9.582 2.889 14.981 1.00 0.00 H new ATOM 0 HA LEU A 25 8.434 2.539 13.108 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.758 -0.246 14.043 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.143 0.308 12.425 1.00 0.00 H new ATOM 0 HG LEU A 25 10.237 0.434 14.585 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.975 -1.830 13.953 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.351 -1.845 14.683 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.536 -2.006 12.920 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.742 0.126 12.659 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.332 0.024 11.578 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.680 1.538 12.446 1.00 0.00 H new ATOM 410 N VAL A 26 6.240 3.165 14.716 1.00 0.00 N ATOM 411 CA VAL A 26 4.840 3.478 14.970 1.00 0.00 C ATOM 412 C VAL A 26 4.562 4.951 14.689 1.00 0.00 C ATOM 413 O VAL A 26 3.599 5.295 14.004 1.00 0.00 O ATOM 414 CB VAL A 26 4.445 3.152 16.423 1.00 0.00 C ATOM 415 CG1 VAL A 26 5.506 3.648 17.392 1.00 0.00 C ATOM 416 CG2 VAL A 26 3.088 3.752 16.758 1.00 0.00 C ATOM 0 H VAL A 26 6.896 3.871 15.050 1.00 0.00 H new ATOM 0 HA VAL A 26 4.242 2.860 14.300 1.00 0.00 H new ATOM 0 HB VAL A 26 4.373 2.069 16.522 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.208 3.408 18.412 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.457 3.165 17.169 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.615 4.728 17.291 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.828 3.510 17.788 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.129 4.835 16.639 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.333 3.342 16.087 1.00 0.00 H new ATOM 426 N LEU A 27 5.425 5.816 15.212 1.00 0.00 N ATOM 427 CA LEU A 27 5.286 7.252 15.008 1.00 0.00 C ATOM 428 C LEU A 27 5.442 7.603 13.532 1.00 0.00 C ATOM 429 O LEU A 27 5.164 8.727 13.116 1.00 0.00 O ATOM 430 CB LEU A 27 6.324 8.013 15.838 1.00 0.00 C ATOM 431 CG LEU A 27 6.694 7.359 17.171 1.00 0.00 C ATOM 432 CD1 LEU A 27 8.126 6.848 17.134 1.00 0.00 C ATOM 433 CD2 LEU A 27 6.507 8.344 18.315 1.00 0.00 C ATOM 0 H LEU A 27 6.228 5.547 15.780 1.00 0.00 H new ATOM 0 HA LEU A 27 4.288 7.547 15.334 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.230 8.127 15.243 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.945 9.016 16.036 1.00 0.00 H new ATOM 0 HG LEU A 27 6.031 6.510 17.336 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.372 6.386 18.090 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.229 6.111 16.338 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.805 7.680 16.948 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.774 7.864 19.256 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.147 9.212 18.156 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.466 8.663 18.354 1.00 0.00 H new ATOM 445 N GLN A 28 5.891 6.630 12.745 1.00 0.00 N ATOM 446 CA GLN A 28 6.091 6.829 11.314 1.00 0.00 C ATOM 447 C GLN A 28 4.753 6.933 10.592 1.00 0.00 C ATOM 448 O GLN A 28 4.521 7.869 9.828 1.00 0.00 O ATOM 449 CB GLN A 28 6.918 5.683 10.731 1.00 0.00 C ATOM 450 CG GLN A 28 8.392 5.750 11.095 1.00 0.00 C ATOM 451 CD GLN A 28 9.278 5.073 10.066 1.00 0.00 C ATOM 452 OE1 GLN A 28 9.226 3.856 9.890 1.00 0.00 O ATOM 453 NE2 GLN A 28 10.097 5.861 9.381 1.00 0.00 N ATOM 0 H GLN A 28 6.124 5.694 13.076 1.00 0.00 H new ATOM 0 HA GLN A 28 6.633 7.764 11.170 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.508 4.736 11.081 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.820 5.691 9.645 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.691 6.793 11.196 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.544 5.279 12.066 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.107 6.865 9.560 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.717 5.463 8.676 1.00 0.00 H new ATOM 462 N TYR A 29 3.863 5.985 10.866 1.00 0.00 N ATOM 463 CA TYR A 29 2.535 5.996 10.268 1.00 0.00 C ATOM 464 C TYR A 29 1.811 7.222 10.776 1.00 0.00 C ATOM 465 O TYR A 29 0.977 7.819 10.097 1.00 0.00 O ATOM 466 CB TYR A 29 1.776 4.710 10.646 1.00 0.00 C ATOM 467 CG TYR A 29 0.329 4.915 11.070 1.00 0.00 C ATOM 468 CD1 TYR A 29 -0.004 5.650 12.206 1.00 0.00 C ATOM 469 CD2 TYR A 29 -0.707 4.363 10.330 1.00 0.00 C ATOM 470 CE1 TYR A 29 -1.322 5.823 12.579 1.00 0.00 C ATOM 471 CE2 TYR A 29 -2.024 4.534 10.699 1.00 0.00 C ATOM 472 CZ TYR A 29 -2.327 5.265 11.823 1.00 0.00 C ATOM 473 OH TYR A 29 -3.639 5.437 12.193 1.00 0.00 O ATOM 0 H TYR A 29 4.037 5.202 11.496 1.00 0.00 H new ATOM 0 HA TYR A 29 2.601 6.030 9.181 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.796 4.031 9.793 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.310 4.217 11.458 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.780 6.091 12.803 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.476 3.787 9.446 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -1.564 6.395 13.462 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.814 4.096 10.108 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.219 5.303 11.414 1.00 0.00 H new ATOM 483 N LEU A 30 2.169 7.572 11.993 1.00 0.00 N ATOM 484 CA LEU A 30 1.619 8.710 12.683 1.00 0.00 C ATOM 485 C LEU A 30 2.119 10.008 12.085 1.00 0.00 C ATOM 486 O LEU A 30 1.440 10.634 11.275 1.00 0.00 O ATOM 487 CB LEU A 30 2.034 8.605 14.136 1.00 0.00 C ATOM 488 CG LEU A 30 1.564 7.328 14.800 1.00 0.00 C ATOM 489 CD1 LEU A 30 2.158 7.174 16.181 1.00 0.00 C ATOM 490 CD2 LEU A 30 0.060 7.327 14.853 1.00 0.00 C ATOM 0 H LEU A 30 2.864 7.061 12.537 1.00 0.00 H new ATOM 0 HA LEU A 30 0.533 8.713 12.589 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.120 8.662 14.202 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.636 9.459 14.683 1.00 0.00 H new ATOM 0 HG LEU A 30 1.905 6.475 14.212 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.800 6.247 16.630 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.245 7.146 16.108 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.858 8.018 16.802 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.287 6.410 15.330 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.284 8.187 15.427 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.340 7.383 13.840 1.00 0.00 H new ATOM 502 N TYR A 31 3.317 10.399 12.488 1.00 0.00 N ATOM 503 CA TYR A 31 3.929 11.624 11.990 1.00 0.00 C ATOM 504 C TYR A 31 3.569 11.830 10.526 1.00 0.00 C ATOM 505 O TYR A 31 3.432 12.962 10.062 1.00 0.00 O ATOM 506 CB TYR A 31 5.448 11.567 12.148 1.00 0.00 C ATOM 507 CG TYR A 31 6.005 12.307 13.349 1.00 0.00 C ATOM 508 CD1 TYR A 31 5.841 13.682 13.490 1.00 0.00 C ATOM 509 CD2 TYR A 31 6.741 11.636 14.324 1.00 0.00 C ATOM 510 CE1 TYR A 31 6.380 14.356 14.559 1.00 0.00 C ATOM 511 CE2 TYR A 31 7.289 12.312 15.385 1.00 0.00 C ATOM 512 CZ TYR A 31 7.106 13.670 15.497 1.00 0.00 C ATOM 513 OH TYR A 31 7.654 14.345 16.552 1.00 0.00 O ATOM 0 H TYR A 31 3.887 9.886 13.160 1.00 0.00 H new ATOM 0 HA TYR A 31 3.548 12.462 12.574 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.751 10.522 12.214 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.906 11.975 11.247 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.280 14.229 12.746 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.882 10.568 14.243 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.232 15.421 14.659 1.00 0.00 H new ATOM 0 HE2 TYR A 31 7.862 11.779 16.129 1.00 0.00 H new ATOM 0 HH TYR A 31 8.631 14.288 16.505 1.00 0.00 H new ATOM 523 N GLN A 32 3.401 10.725 9.805 1.00 0.00 N ATOM 524 CA GLN A 32 3.039 10.791 8.398 1.00 0.00 C ATOM 525 C GLN A 32 1.542 11.013 8.250 1.00 0.00 C ATOM 526 O GLN A 32 1.108 11.915 7.534 1.00 0.00 O ATOM 527 CB GLN A 32 3.465 9.515 7.669 1.00 0.00 C ATOM 528 CG GLN A 32 4.949 9.471 7.344 1.00 0.00 C ATOM 529 CD GLN A 32 5.241 9.817 5.898 1.00 0.00 C ATOM 530 OE1 GLN A 32 4.513 10.588 5.272 1.00 0.00 O ATOM 531 NE2 GLN A 32 6.310 9.244 5.358 1.00 0.00 N ATOM 0 H GLN A 32 3.510 9.779 10.172 1.00 0.00 H new ATOM 0 HA GLN A 32 3.564 11.633 7.946 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.210 8.652 8.284 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.895 9.427 6.744 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.480 10.166 7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 32 5.335 8.475 7.560 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.885 8.611 5.914 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.556 9.437 4.387 1.00 0.00 H new ATOM 540 N GLU A 33 0.755 10.202 8.947 1.00 0.00 N ATOM 541 CA GLU A 33 -0.692 10.339 8.899 1.00 0.00 C ATOM 542 C GLU A 33 -1.083 11.748 9.318 1.00 0.00 C ATOM 543 O GLU A 33 -2.029 12.329 8.787 1.00 0.00 O ATOM 544 CB GLU A 33 -1.361 9.313 9.816 1.00 0.00 C ATOM 545 CG GLU A 33 -1.806 8.052 9.093 1.00 0.00 C ATOM 546 CD GLU A 33 -2.693 8.348 7.900 1.00 0.00 C ATOM 547 OE1 GLU A 33 -3.794 8.903 8.102 1.00 0.00 O ATOM 548 OE2 GLU A 33 -2.288 8.023 6.764 1.00 0.00 O ATOM 0 H GLU A 33 1.093 9.449 9.547 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.030 10.157 7.879 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.667 9.041 10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.226 9.773 10.293 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -0.928 7.499 8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.343 7.408 9.790 1.00 0.00 H new ATOM 555 N GLY A 34 -0.338 12.294 10.277 1.00 0.00 N ATOM 556 CA GLY A 34 -0.611 13.633 10.757 1.00 0.00 C ATOM 557 C GLY A 34 -0.727 13.673 12.257 1.00 0.00 C ATOM 558 O GLY A 34 -0.638 14.737 12.871 1.00 0.00 O ATOM 0 H GLY A 34 0.450 11.830 10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.185 14.304 10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.536 13.998 10.310 1.00 0.00 H new ATOM 562 N ILE A 35 -0.908 12.504 12.849 1.00 0.00 N ATOM 563 CA ILE A 35 -1.015 12.390 14.287 1.00 0.00 C ATOM 564 C ILE A 35 -0.059 13.338 14.961 1.00 0.00 C ATOM 565 O ILE A 35 -0.409 14.038 15.910 1.00 0.00 O ATOM 566 CB ILE A 35 -0.665 10.974 14.735 1.00 0.00 C ATOM 567 CG1 ILE A 35 -1.590 9.979 14.046 1.00 0.00 C ATOM 568 CG2 ILE A 35 -0.729 10.868 16.246 1.00 0.00 C ATOM 569 CD1 ILE A 35 -2.442 9.154 14.990 1.00 0.00 C ATOM 0 H ILE A 35 -0.984 11.618 12.349 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.042 12.630 14.564 1.00 0.00 H new ATOM 0 HB ILE A 35 0.358 10.736 14.443 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.246 10.523 13.366 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.988 9.305 13.437 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.477 9.852 16.550 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.020 11.567 16.690 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.736 11.109 16.585 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.069 8.473 14.414 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.797 8.579 15.654 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.074 9.816 15.582 1.00 0.00 H new ATOM 581 N LEU A 36 1.165 13.334 14.466 1.00 0.00 N ATOM 582 CA LEU A 36 2.198 14.177 15.025 1.00 0.00 C ATOM 583 C LEU A 36 2.376 15.454 14.219 1.00 0.00 C ATOM 584 O LEU A 36 1.878 15.575 13.101 1.00 0.00 O ATOM 585 CB LEU A 36 3.505 13.406 15.108 1.00 0.00 C ATOM 586 CG LEU A 36 3.481 12.201 16.041 1.00 0.00 C ATOM 587 CD1 LEU A 36 3.354 10.911 15.247 1.00 0.00 C ATOM 588 CD2 LEU A 36 4.727 12.173 16.912 1.00 0.00 C ATOM 0 H LEU A 36 1.465 12.757 13.680 1.00 0.00 H new ATOM 0 HA LEU A 36 1.892 14.469 16.030 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.774 13.067 14.108 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.291 14.086 15.437 1.00 0.00 H new ATOM 0 HG LEU A 36 2.611 12.290 16.691 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.339 10.063 15.931 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.429 10.928 14.670 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.203 10.816 14.570 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.691 11.305 17.571 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.612 12.111 16.279 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.772 13.082 17.511 1.00 0.00 H new ATOM 600 N THR A 37 3.079 16.409 14.811 1.00 0.00 N ATOM 601 CA THR A 37 3.316 17.698 14.168 1.00 0.00 C ATOM 602 C THR A 37 4.599 18.346 14.679 1.00 0.00 C ATOM 603 O THR A 37 5.229 17.848 15.611 1.00 0.00 O ATOM 604 CB THR A 37 2.127 18.630 14.413 1.00 0.00 C ATOM 605 OG1 THR A 37 2.570 19.932 14.753 1.00 0.00 O ATOM 606 CG2 THR A 37 1.210 18.151 15.521 1.00 0.00 C ATOM 0 H THR A 37 3.497 16.317 15.737 1.00 0.00 H new ATOM 0 HA THR A 37 3.428 17.525 13.098 1.00 0.00 H new ATOM 0 HB THR A 37 1.568 18.637 13.477 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.795 20.512 14.904 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.388 18.856 15.644 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.811 17.170 15.264 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.771 18.082 16.453 1.00 0.00 H new ATOM 614 N GLU A 38 4.977 19.464 14.061 1.00 0.00 N ATOM 615 CA GLU A 38 6.183 20.185 14.453 1.00 0.00 C ATOM 616 C GLU A 38 6.375 20.121 15.962 1.00 0.00 C ATOM 617 O GLU A 38 7.446 19.754 16.448 1.00 0.00 O ATOM 618 CB GLU A 38 6.110 21.643 13.993 1.00 0.00 C ATOM 619 CG GLU A 38 6.782 21.891 12.652 1.00 0.00 C ATOM 620 CD GLU A 38 7.312 23.305 12.513 1.00 0.00 C ATOM 621 OE1 GLU A 38 7.584 23.942 13.552 1.00 0.00 O ATOM 622 OE2 GLU A 38 7.455 23.775 11.364 1.00 0.00 O ATOM 0 H GLU A 38 4.465 19.888 13.288 1.00 0.00 H new ATOM 0 HA GLU A 38 7.037 19.710 13.971 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.064 21.943 13.927 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.576 22.277 14.747 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.604 21.186 12.527 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.069 21.695 11.851 1.00 0.00 H new ATOM 629 N ASN A 39 5.326 20.468 16.700 1.00 0.00 N ATOM 630 CA ASN A 39 5.379 20.437 18.156 1.00 0.00 C ATOM 631 C ASN A 39 5.866 19.076 18.636 1.00 0.00 C ATOM 632 O ASN A 39 6.729 18.981 19.517 1.00 0.00 O ATOM 633 CB ASN A 39 4.003 20.738 18.754 1.00 0.00 C ATOM 634 CG ASN A 39 3.214 21.736 17.930 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.665 22.856 17.691 1.00 0.00 O ATOM 636 ND2 ASN A 39 2.028 21.332 17.490 1.00 0.00 N ATOM 0 H ASN A 39 4.432 20.773 16.315 1.00 0.00 H new ATOM 0 HA ASN A 39 6.078 21.204 18.489 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.436 19.811 18.835 1.00 0.00 H new ATOM 0 HB3 ASN A 39 4.127 21.125 19.765 1.00 0.00 H new ATOM 0 HD21 ASN A 39 1.451 21.959 16.930 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.694 20.394 17.712 1.00 0.00 H new ATOM 643 N HIS A 40 5.324 18.016 18.043 1.00 0.00 N ATOM 644 CA HIS A 40 5.729 16.673 18.415 1.00 0.00 C ATOM 645 C HIS A 40 7.219 16.507 18.162 1.00 0.00 C ATOM 646 O HIS A 40 7.976 16.195 19.078 1.00 0.00 O ATOM 647 CB HIS A 40 4.936 15.618 17.634 1.00 0.00 C ATOM 648 CG HIS A 40 3.467 15.593 17.934 1.00 0.00 C ATOM 649 ND1 HIS A 40 2.741 14.425 18.005 1.00 0.00 N ATOM 650 CD2 HIS A 40 2.585 16.591 18.159 1.00 0.00 C ATOM 651 CE1 HIS A 40 1.473 14.702 18.254 1.00 0.00 C ATOM 652 NE2 HIS A 40 1.351 16.013 18.353 1.00 0.00 N ATOM 0 H HIS A 40 4.613 18.063 17.313 1.00 0.00 H new ATOM 0 HA HIS A 40 5.520 16.527 19.475 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.073 15.796 16.567 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.354 14.635 17.850 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.807 17.648 18.182 1.00 0.00 H new ATOM 0 HE1 HIS A 40 0.675 13.981 18.358 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.484 16.515 18.542 1.00 0.00 H new ATOM 661 N ILE A 41 7.632 16.739 16.914 1.00 0.00 N ATOM 662 CA ILE A 41 9.026 16.642 16.525 1.00 0.00 C ATOM 663 C ILE A 41 9.931 16.998 17.693 1.00 0.00 C ATOM 664 O ILE A 41 10.931 16.332 17.959 1.00 0.00 O ATOM 665 CB ILE A 41 9.287 17.590 15.334 1.00 0.00 C ATOM 666 CG1 ILE A 41 9.647 16.789 14.088 1.00 0.00 C ATOM 667 CG2 ILE A 41 10.373 18.607 15.648 1.00 0.00 C ATOM 668 CD1 ILE A 41 8.561 15.836 13.635 1.00 0.00 C ATOM 0 H ILE A 41 7.005 16.998 16.152 1.00 0.00 H new ATOM 0 HA ILE A 41 9.246 15.617 16.227 1.00 0.00 H new ATOM 0 HB ILE A 41 8.367 18.144 15.145 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.871 17.481 13.276 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.557 16.221 14.284 1.00 0.00 H new ATOM 0 HG21 ILE A 41 10.526 19.254 14.785 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.070 19.210 16.504 1.00 0.00 H new ATOM 0 HG23 ILE A 41 11.302 18.087 15.881 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.893 15.303 12.744 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.351 15.119 14.429 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.656 16.398 13.406 1.00 0.00 H new ATOM 680 N GLN A 42 9.558 18.062 18.380 1.00 0.00 N ATOM 681 CA GLN A 42 10.312 18.534 19.526 1.00 0.00 C ATOM 682 C GLN A 42 10.367 17.459 20.601 1.00 0.00 C ATOM 683 O GLN A 42 11.445 17.047 21.033 1.00 0.00 O ATOM 684 CB GLN A 42 9.672 19.805 20.085 1.00 0.00 C ATOM 685 CG GLN A 42 9.810 21.010 19.169 1.00 0.00 C ATOM 686 CD GLN A 42 10.299 22.245 19.901 1.00 0.00 C ATOM 687 OE1 GLN A 42 9.842 22.550 21.003 1.00 0.00 O ATOM 688 NE2 GLN A 42 11.231 22.965 19.288 1.00 0.00 N ATOM 0 H GLN A 42 8.732 18.619 18.162 1.00 0.00 H new ATOM 0 HA GLN A 42 11.330 18.760 19.208 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.614 19.618 20.269 1.00 0.00 H new ATOM 0 HB3 GLN A 42 10.127 20.037 21.048 1.00 0.00 H new ATOM 0 HG2 GLN A 42 10.504 20.771 18.363 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.846 21.223 18.707 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.581 22.675 18.375 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.597 23.808 19.730 1.00 0.00 H new ATOM 697 N GLU A 43 9.196 17.003 21.025 1.00 0.00 N ATOM 698 CA GLU A 43 9.110 15.973 22.050 1.00 0.00 C ATOM 699 C GLU A 43 9.643 14.633 21.537 1.00 0.00 C ATOM 700 O GLU A 43 10.421 13.957 22.219 1.00 0.00 O ATOM 701 CB GLU A 43 7.662 15.831 22.516 1.00 0.00 C ATOM 702 CG GLU A 43 7.173 17.013 23.336 1.00 0.00 C ATOM 703 CD GLU A 43 5.717 17.344 23.072 1.00 0.00 C ATOM 704 OE1 GLU A 43 5.000 16.476 22.533 1.00 0.00 O ATOM 705 OE2 GLU A 43 5.295 18.472 23.404 1.00 0.00 O ATOM 0 H GLU A 43 8.295 17.329 20.676 1.00 0.00 H new ATOM 0 HA GLU A 43 9.731 16.273 22.894 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.018 15.711 21.645 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.567 14.922 23.110 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.306 16.795 24.396 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.787 17.885 23.111 1.00 0.00 H new ATOM 712 N ILE A 44 9.230 14.253 20.330 1.00 0.00 N ATOM 713 CA ILE A 44 9.665 13.013 19.733 1.00 0.00 C ATOM 714 C ILE A 44 11.176 12.992 19.593 1.00 0.00 C ATOM 715 O ILE A 44 11.831 12.022 19.976 1.00 0.00 O ATOM 716 CB ILE A 44 8.998 12.828 18.367 1.00 0.00 C ATOM 717 CG1 ILE A 44 7.485 12.643 18.551 1.00 0.00 C ATOM 718 CG2 ILE A 44 9.612 11.654 17.642 1.00 0.00 C ATOM 719 CD1 ILE A 44 7.111 11.336 19.205 1.00 0.00 C ATOM 0 H ILE A 44 8.590 14.797 19.751 1.00 0.00 H new ATOM 0 HA ILE A 44 9.371 12.189 20.382 1.00 0.00 H new ATOM 0 HB ILE A 44 9.162 13.717 17.758 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.098 13.465 19.153 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.999 12.705 17.577 1.00 0.00 H new ATOM 0 HG21 ILE A 44 9.130 11.533 16.672 1.00 0.00 H new ATOM 0 HG22 ILE A 44 10.678 11.832 17.497 1.00 0.00 H new ATOM 0 HG23 ILE A 44 9.473 10.748 18.232 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.027 11.275 19.302 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.468 10.508 18.593 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.568 11.280 20.193 1.00 0.00 H new ATOM 731 N ASN A 45 11.731 14.079 19.075 1.00 0.00 N ATOM 732 CA ASN A 45 13.172 14.185 18.929 1.00 0.00 C ATOM 733 C ASN A 45 13.824 13.955 20.285 1.00 0.00 C ATOM 734 O ASN A 45 14.979 13.538 20.376 1.00 0.00 O ATOM 735 CB ASN A 45 13.559 15.561 18.384 1.00 0.00 C ATOM 736 CG ASN A 45 13.208 15.724 16.919 1.00 0.00 C ATOM 737 OD1 ASN A 45 12.879 14.755 16.236 1.00 0.00 O ATOM 738 ND2 ASN A 45 13.275 16.957 16.429 1.00 0.00 N ATOM 0 H ASN A 45 11.208 14.893 18.752 1.00 0.00 H new ATOM 0 HA ASN A 45 13.519 13.432 18.221 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.053 16.333 18.964 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.630 15.713 18.517 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.049 17.130 15.450 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.553 17.731 17.032 1.00 0.00 H new ATOM 745 N ALA A 46 13.059 14.229 21.340 1.00 0.00 N ATOM 746 CA ALA A 46 13.536 14.053 22.703 1.00 0.00 C ATOM 747 C ALA A 46 13.856 12.589 22.988 1.00 0.00 C ATOM 748 O ALA A 46 14.883 12.289 23.595 1.00 0.00 O ATOM 749 CB ALA A 46 12.509 14.575 23.696 1.00 0.00 C ATOM 0 H ALA A 46 12.102 14.575 21.272 1.00 0.00 H new ATOM 0 HA ALA A 46 14.456 14.627 22.816 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.881 14.436 24.711 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.335 15.636 23.515 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.574 14.028 23.574 1.00 0.00 H new ATOM 755 N GLN A 47 12.966 11.686 22.551 1.00 0.00 N ATOM 756 CA GLN A 47 13.151 10.246 22.760 1.00 0.00 C ATOM 757 C GLN A 47 14.620 9.884 22.979 1.00 0.00 C ATOM 758 O GLN A 47 15.065 9.723 24.116 1.00 0.00 O ATOM 759 CB GLN A 47 12.607 9.462 21.564 1.00 0.00 C ATOM 760 CG GLN A 47 11.123 9.667 21.317 1.00 0.00 C ATOM 761 CD GLN A 47 10.747 9.450 19.864 1.00 0.00 C ATOM 762 OE1 GLN A 47 9.461 9.565 19.560 1.00 0.00 O flip ATOM 763 NE2 GLN A 47 11.606 9.180 19.024 1.00 0.00 N flip ATOM 0 H GLN A 47 12.111 11.930 22.051 1.00 0.00 H new ATOM 0 HA GLN A 47 12.598 9.978 23.660 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.158 9.754 20.670 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.796 8.400 21.722 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.554 8.980 21.944 1.00 0.00 H new ATOM 0 HG3 GLN A 47 10.843 10.677 21.616 1.00 0.00 H new ATOM 0 HE21 GLN A 47 12.584 9.101 19.302 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.339 9.035 18.050 1.00 0.00 H new ATOM 772 N THR A 48 15.367 9.757 21.886 1.00 0.00 N ATOM 773 CA THR A 48 16.783 9.413 21.962 1.00 0.00 C ATOM 774 C THR A 48 17.016 8.262 22.936 1.00 0.00 C ATOM 775 O THR A 48 18.101 8.124 23.501 1.00 0.00 O ATOM 776 CB THR A 48 17.602 10.632 22.392 1.00 0.00 C ATOM 777 OG1 THR A 48 16.845 11.821 22.251 1.00 0.00 O ATOM 778 CG2 THR A 48 18.879 10.804 21.597 1.00 0.00 C ATOM 0 H THR A 48 15.015 9.887 20.937 1.00 0.00 H new ATOM 0 HA THR A 48 17.106 9.095 20.971 1.00 0.00 H new ATOM 0 HB THR A 48 17.862 10.452 23.435 1.00 0.00 H new ATOM 0 HG1 THR A 48 16.338 11.985 23.073 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.412 11.686 21.952 1.00 0.00 H new ATOM 0 HG22 THR A 48 19.509 9.923 21.725 1.00 0.00 H new ATOM 0 HG23 THR A 48 18.637 10.927 20.541 1.00 0.00 H new ATOM 786 N THR A 49 15.992 7.435 23.126 1.00 0.00 N ATOM 787 CA THR A 49 16.086 6.294 24.031 1.00 0.00 C ATOM 788 C THR A 49 15.345 5.088 23.464 1.00 0.00 C ATOM 789 O THR A 49 15.961 4.146 22.964 1.00 0.00 O ATOM 790 CB THR A 49 15.515 6.653 25.404 1.00 0.00 C ATOM 791 OG1 THR A 49 14.172 7.088 25.291 1.00 0.00 O ATOM 792 CG2 THR A 49 16.292 7.741 26.113 1.00 0.00 C ATOM 0 H THR A 49 15.087 7.534 22.665 1.00 0.00 H new ATOM 0 HA THR A 49 17.140 6.037 24.139 1.00 0.00 H new ATOM 0 HB THR A 49 15.586 5.738 25.992 1.00 0.00 H new ATOM 0 HG1 THR A 49 14.146 7.955 24.836 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.832 7.945 27.080 1.00 0.00 H new ATOM 0 HG22 THR A 49 17.321 7.415 26.262 1.00 0.00 H new ATOM 0 HG23 THR A 49 16.283 8.648 25.508 1.00 0.00 H new ATOM 800 N GLY A 50 14.019 5.123 23.546 1.00 0.00 N ATOM 801 CA GLY A 50 13.215 4.028 23.038 1.00 0.00 C ATOM 802 C GLY A 50 11.828 3.994 23.650 1.00 0.00 C ATOM 803 O GLY A 50 10.832 3.862 22.939 1.00 0.00 O ATOM 0 H GLY A 50 13.487 5.891 23.956 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.129 4.117 21.955 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.722 3.085 23.241 1.00 0.00 H new ATOM 807 N LEU A 51 11.763 4.113 24.972 1.00 0.00 N ATOM 808 CA LEU A 51 10.488 4.095 25.681 1.00 0.00 C ATOM 809 C LEU A 51 9.810 5.460 25.617 1.00 0.00 C ATOM 810 O LEU A 51 8.584 5.553 25.538 1.00 0.00 O ATOM 811 CB LEU A 51 10.697 3.685 27.139 1.00 0.00 C ATOM 812 CG LEU A 51 11.857 2.716 27.379 1.00 0.00 C ATOM 813 CD1 LEU A 51 11.925 2.319 28.845 1.00 0.00 C ATOM 814 CD2 LEU A 51 11.713 1.485 26.496 1.00 0.00 C ATOM 0 H LEU A 51 12.579 4.223 25.575 1.00 0.00 H new ATOM 0 HA LEU A 51 9.841 3.365 25.195 1.00 0.00 H new ATOM 0 HB2 LEU A 51 10.865 4.583 27.733 1.00 0.00 H new ATOM 0 HB3 LEU A 51 9.779 3.227 27.507 1.00 0.00 H new ATOM 0 HG LEU A 51 12.788 3.219 27.117 1.00 0.00 H new ATOM 0 HD11 LEU A 51 12.756 1.630 28.997 1.00 0.00 H new ATOM 0 HD12 LEU A 51 12.075 3.209 29.456 1.00 0.00 H new ATOM 0 HD13 LEU A 51 10.993 1.833 29.134 1.00 0.00 H new ATOM 0 HD21 LEU A 51 12.546 0.806 26.679 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.775 0.979 26.727 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.714 1.786 25.449 1.00 0.00 H new ATOM 826 N ARG A 52 10.614 6.517 25.652 1.00 0.00 N ATOM 827 CA ARG A 52 10.088 7.874 25.598 1.00 0.00 C ATOM 828 C ARG A 52 9.121 8.032 24.430 1.00 0.00 C ATOM 829 O ARG A 52 8.049 8.619 24.575 1.00 0.00 O ATOM 830 CB ARG A 52 11.226 8.885 25.464 1.00 0.00 C ATOM 831 CG ARG A 52 11.290 9.887 26.605 1.00 0.00 C ATOM 832 CD ARG A 52 10.917 11.284 26.135 1.00 0.00 C ATOM 833 NE ARG A 52 11.882 12.288 26.576 1.00 0.00 N ATOM 834 CZ ARG A 52 12.147 12.545 27.853 1.00 0.00 C ATOM 835 NH1 ARG A 52 11.523 11.873 28.811 1.00 0.00 N ATOM 836 NH2 ARG A 52 13.039 13.473 28.173 1.00 0.00 N ATOM 0 H ARG A 52 11.630 6.460 25.717 1.00 0.00 H new ATOM 0 HA ARG A 52 9.551 8.064 26.528 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.173 8.348 25.410 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.112 9.425 24.524 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.615 9.577 27.402 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.296 9.899 27.025 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.854 11.295 25.047 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.928 11.541 26.514 1.00 0.00 H new ATOM 0 HE ARG A 52 12.381 12.822 25.864 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.838 11.157 28.569 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.728 12.072 29.790 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.522 13.990 27.439 1.00 0.00 H new ATOM 0 HH22 ARG A 52 13.241 13.669 29.153 1.00 0.00 H new ATOM 850 N LYS A 53 9.506 7.505 23.272 1.00 0.00 N ATOM 851 CA LYS A 53 8.667 7.593 22.082 1.00 0.00 C ATOM 852 C LYS A 53 7.205 7.344 22.446 1.00 0.00 C ATOM 853 O LYS A 53 6.334 8.184 22.200 1.00 0.00 O ATOM 854 CB LYS A 53 9.124 6.582 21.027 1.00 0.00 C ATOM 855 CG LYS A 53 10.630 6.372 20.994 1.00 0.00 C ATOM 856 CD LYS A 53 11.108 5.986 19.603 1.00 0.00 C ATOM 857 CE LYS A 53 12.537 5.466 19.630 1.00 0.00 C ATOM 858 NZ LYS A 53 13.115 5.357 18.262 1.00 0.00 N ATOM 0 H LYS A 53 10.389 7.015 23.132 1.00 0.00 H new ATOM 0 HA LYS A 53 8.762 8.597 21.667 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.637 5.626 21.218 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.791 6.919 20.045 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.133 7.285 21.312 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.905 5.592 21.704 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.449 5.222 19.190 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.047 6.851 18.943 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.154 6.132 20.233 1.00 0.00 H new ATOM 0 HE3 LYS A 53 12.558 4.489 20.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 14.090 4.999 18.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.541 4.702 17.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.119 6.294 17.811 1.00 0.00 H new ATOM 872 N THR A 54 6.938 6.190 23.050 1.00 0.00 N ATOM 873 CA THR A 54 5.593 5.853 23.463 1.00 0.00 C ATOM 874 C THR A 54 5.027 6.980 24.308 1.00 0.00 C ATOM 875 O THR A 54 3.945 7.498 24.034 1.00 0.00 O ATOM 876 CB THR A 54 5.604 4.554 24.259 1.00 0.00 C ATOM 877 OG1 THR A 54 6.629 3.692 23.798 1.00 0.00 O ATOM 878 CG2 THR A 54 4.301 3.805 24.177 1.00 0.00 C ATOM 0 H THR A 54 7.638 5.479 23.261 1.00 0.00 H new ATOM 0 HA THR A 54 4.967 5.717 22.581 1.00 0.00 H new ATOM 0 HB THR A 54 5.775 4.845 25.295 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.445 3.848 24.317 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.370 2.889 24.764 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.498 4.428 24.570 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.090 3.555 23.137 1.00 0.00 H new ATOM 886 N MET A 55 5.785 7.369 25.327 1.00 0.00 N ATOM 887 CA MET A 55 5.375 8.452 26.201 1.00 0.00 C ATOM 888 C MET A 55 4.948 9.645 25.376 1.00 0.00 C ATOM 889 O MET A 55 3.951 10.297 25.679 1.00 0.00 O ATOM 890 CB MET A 55 6.512 8.833 27.148 1.00 0.00 C ATOM 891 CG MET A 55 6.155 8.667 28.614 1.00 0.00 C ATOM 892 SD MET A 55 7.607 8.509 29.671 1.00 0.00 S ATOM 893 CE MET A 55 7.367 6.860 30.327 1.00 0.00 C ATOM 0 H MET A 55 6.684 6.949 25.565 1.00 0.00 H new ATOM 0 HA MET A 55 4.528 8.120 26.802 1.00 0.00 H new ATOM 0 HB2 MET A 55 7.384 8.220 26.922 1.00 0.00 H new ATOM 0 HB3 MET A 55 6.795 9.870 26.966 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.566 9.524 28.939 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.527 7.784 28.733 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.259 6.552 30.872 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.511 6.858 31.002 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.184 6.165 29.507 1.00 0.00 H new ATOM 903 N LEU A 56 5.706 9.923 24.329 1.00 0.00 N ATOM 904 CA LEU A 56 5.413 11.027 23.459 1.00 0.00 C ATOM 905 C LEU A 56 3.962 11.047 23.040 1.00 0.00 C ATOM 906 O LEU A 56 3.192 11.819 23.591 1.00 0.00 O ATOM 907 CB LEU A 56 6.335 10.994 22.253 1.00 0.00 C ATOM 908 CG LEU A 56 7.219 12.212 22.142 1.00 0.00 C ATOM 909 CD1 LEU A 56 6.483 13.288 21.357 1.00 0.00 C ATOM 910 CD2 LEU A 56 7.621 12.674 23.541 1.00 0.00 C ATOM 0 H LEU A 56 6.534 9.388 24.067 1.00 0.00 H new ATOM 0 HA LEU A 56 5.590 11.950 24.012 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.961 10.103 22.308 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.734 10.906 21.348 1.00 0.00 H new ATOM 0 HG LEU A 56 8.137 11.981 21.602 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.114 14.172 21.272 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.246 12.914 20.361 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.560 13.550 21.875 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.260 13.554 23.464 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.727 12.923 24.113 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.163 11.875 24.046 1.00 0.00 H new ATOM 922 N LEU A 57 3.578 10.216 22.078 1.00 0.00 N ATOM 923 CA LEU A 57 2.194 10.194 21.644 1.00 0.00 C ATOM 924 C LEU A 57 1.254 10.348 22.824 1.00 0.00 C ATOM 925 O LEU A 57 0.418 11.251 22.860 1.00 0.00 O ATOM 926 CB LEU A 57 1.889 8.914 20.904 1.00 0.00 C ATOM 927 CG LEU A 57 1.388 9.148 19.496 1.00 0.00 C ATOM 928 CD1 LEU A 57 -0.064 9.585 19.538 1.00 0.00 C ATOM 929 CD2 LEU A 57 2.228 10.206 18.798 1.00 0.00 C ATOM 0 H LEU A 57 4.194 9.562 21.594 1.00 0.00 H new ATOM 0 HA LEU A 57 2.042 11.036 20.968 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.789 8.300 20.866 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.141 8.349 21.460 1.00 0.00 H new ATOM 0 HG LEU A 57 1.471 8.217 18.935 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.423 9.753 18.523 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.664 8.808 20.011 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.150 10.509 20.111 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.852 10.360 17.787 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.169 11.142 19.354 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.266 9.875 18.753 1.00 0.00 H new ATOM 941 N LEU A 58 1.410 9.465 23.793 1.00 0.00 N ATOM 942 CA LEU A 58 0.593 9.495 24.989 1.00 0.00 C ATOM 943 C LEU A 58 0.717 10.846 25.684 1.00 0.00 C ATOM 944 O LEU A 58 -0.181 11.277 26.406 1.00 0.00 O ATOM 945 CB LEU A 58 1.022 8.384 25.940 1.00 0.00 C ATOM 946 CG LEU A 58 1.263 7.024 25.291 1.00 0.00 C ATOM 947 CD1 LEU A 58 1.954 6.094 26.271 1.00 0.00 C ATOM 948 CD2 LEU A 58 -0.051 6.426 24.809 1.00 0.00 C ATOM 0 H LEU A 58 2.100 8.714 23.773 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.448 9.342 24.703 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.937 8.694 26.445 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.257 8.271 26.708 1.00 0.00 H new ATOM 0 HG LEU A 58 1.912 7.155 24.425 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.121 5.126 25.798 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.911 6.523 26.567 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.327 5.963 27.153 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.138 5.456 24.349 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.726 6.300 25.656 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.507 7.092 24.077 1.00 0.00 H new ATOM 960 N ASP A 59 1.846 11.499 25.453 1.00 0.00 N ATOM 961 CA ASP A 59 2.130 12.805 26.041 1.00 0.00 C ATOM 962 C ASP A 59 1.593 13.938 25.171 1.00 0.00 C ATOM 963 O ASP A 59 1.254 15.012 25.666 1.00 0.00 O ATOM 964 CB ASP A 59 3.640 12.975 26.222 1.00 0.00 C ATOM 965 CG ASP A 59 4.106 12.586 27.612 1.00 0.00 C ATOM 966 OD1 ASP A 59 4.299 11.377 27.858 1.00 0.00 O ATOM 967 OD2 ASP A 59 4.281 13.492 28.454 1.00 0.00 O ATOM 0 H ASP A 59 2.591 11.142 24.855 1.00 0.00 H new ATOM 0 HA ASP A 59 1.631 12.851 27.009 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.162 12.366 25.484 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.911 14.013 26.029 1.00 0.00 H new ATOM 972 N ILE A 60 1.537 13.690 23.873 1.00 0.00 N ATOM 973 CA ILE A 60 1.065 14.676 22.913 1.00 0.00 C ATOM 974 C ILE A 60 -0.457 14.681 22.817 1.00 0.00 C ATOM 975 O ILE A 60 -1.106 15.663 23.168 1.00 0.00 O ATOM 976 CB ILE A 60 1.654 14.418 21.509 1.00 0.00 C ATOM 977 CG1 ILE A 60 2.774 13.392 21.556 1.00 0.00 C ATOM 978 CG2 ILE A 60 2.185 15.699 20.925 1.00 0.00 C ATOM 979 CD1 ILE A 60 3.422 13.158 20.216 1.00 0.00 C ATOM 0 H ILE A 60 1.816 12.802 23.455 1.00 0.00 H new ATOM 0 HA ILE A 60 1.402 15.648 23.274 1.00 0.00 H new ATOM 0 HB ILE A 60 0.851 14.029 20.883 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.532 13.723 22.266 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.378 12.448 21.930 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.598 15.504 19.935 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.376 16.425 20.844 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.967 16.097 21.572 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.213 12.415 20.319 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.675 12.797 19.509 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.847 14.092 19.849 1.00 0.00 H new ATOM 991 N LEU A 61 -1.013 13.577 22.332 1.00 0.00 N ATOM 992 CA LEU A 61 -2.459 13.437 22.174 1.00 0.00 C ATOM 993 C LEU A 61 -3.238 14.258 23.203 1.00 0.00 C ATOM 994 O LEU A 61 -4.081 15.078 22.840 1.00 0.00 O ATOM 995 CB LEU A 61 -2.854 11.965 22.282 1.00 0.00 C ATOM 996 CG LEU A 61 -2.250 11.056 21.212 1.00 0.00 C ATOM 997 CD1 LEU A 61 -3.110 9.817 21.011 1.00 0.00 C ATOM 998 CD2 LEU A 61 -2.093 11.814 19.904 1.00 0.00 C ATOM 0 H LEU A 61 -0.480 12.758 22.039 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.716 13.821 21.187 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.556 11.595 23.263 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.940 11.891 22.230 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.264 10.735 21.549 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.662 9.184 20.245 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.175 9.263 21.948 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.110 10.115 20.696 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.662 11.155 19.151 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.069 12.162 19.566 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.435 12.670 20.056 1.00 0.00 H new ATOM 1010 N PRO A 62 -2.980 14.037 24.503 1.00 0.00 N ATOM 1011 CA PRO A 62 -3.677 14.748 25.583 1.00 0.00 C ATOM 1012 C PRO A 62 -3.593 16.269 25.463 1.00 0.00 C ATOM 1013 O PRO A 62 -4.306 16.989 26.162 1.00 0.00 O ATOM 1014 CB PRO A 62 -2.965 14.275 26.858 1.00 0.00 C ATOM 1015 CG PRO A 62 -1.711 13.612 26.395 1.00 0.00 C ATOM 1016 CD PRO A 62 -2.009 13.069 25.029 1.00 0.00 C ATOM 0 HA PRO A 62 -4.745 14.530 25.565 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.744 15.114 27.518 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.590 13.582 27.422 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.884 14.322 26.361 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.417 12.814 27.077 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.114 13.016 24.410 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.425 12.062 25.075 1.00 0.00 H new ATOM 1024 N SER A 63 -2.723 16.762 24.586 1.00 0.00 N ATOM 1025 CA SER A 63 -2.570 18.203 24.407 1.00 0.00 C ATOM 1026 C SER A 63 -2.475 18.579 22.932 1.00 0.00 C ATOM 1027 O SER A 63 -3.011 19.603 22.508 1.00 0.00 O ATOM 1028 CB SER A 63 -1.329 18.701 25.150 1.00 0.00 C ATOM 1029 OG SER A 63 -1.686 19.375 26.345 1.00 0.00 O ATOM 0 H SER A 63 -2.119 16.192 23.994 1.00 0.00 H new ATOM 0 HA SER A 63 -3.457 18.682 24.821 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.679 17.858 25.385 1.00 0.00 H new ATOM 0 HB3 SER A 63 -0.761 19.372 24.506 1.00 0.00 H new ATOM 0 HG SER A 63 -0.875 19.682 26.802 1.00 0.00 H new ATOM 1035 N ARG A 64 -1.784 17.753 22.156 1.00 0.00 N ATOM 1036 CA ARG A 64 -1.616 18.011 20.731 1.00 0.00 C ATOM 1037 C ARG A 64 -1.871 16.750 19.912 1.00 0.00 C ATOM 1038 O ARG A 64 -0.936 16.102 19.442 1.00 0.00 O ATOM 1039 CB ARG A 64 -0.207 18.543 20.456 1.00 0.00 C ATOM 1040 CG ARG A 64 0.519 19.013 21.708 1.00 0.00 C ATOM 1041 CD ARG A 64 1.833 19.699 21.371 1.00 0.00 C ATOM 1042 NE ARG A 64 2.343 20.481 22.494 1.00 0.00 N ATOM 1043 CZ ARG A 64 2.017 21.750 22.717 1.00 0.00 C ATOM 1044 NH1 ARG A 64 1.188 22.380 21.896 1.00 0.00 N ATOM 1045 NH2 ARG A 64 2.519 22.391 23.765 1.00 0.00 N ATOM 0 H ARG A 64 -1.332 16.901 22.488 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.347 18.763 20.432 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.381 17.760 19.977 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.271 19.371 19.750 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.119 19.701 22.262 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.710 18.160 22.360 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.571 18.949 21.086 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.691 20.351 20.509 1.00 0.00 H new ATOM 0 HE ARG A 64 2.986 20.028 23.144 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.798 21.891 21.090 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.940 23.354 22.070 1.00 0.00 H new ATOM 0 HH21 ARG A 64 3.156 21.910 24.400 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.268 23.365 23.935 1.00 0.00 H new ATOM 1059 N GLY A 65 -3.145 16.410 19.745 1.00 0.00 N ATOM 1060 CA GLY A 65 -3.502 15.229 18.981 1.00 0.00 C ATOM 1061 C GLY A 65 -5.002 15.020 18.897 1.00 0.00 C ATOM 1062 O GLY A 65 -5.514 13.989 19.332 1.00 0.00 O ATOM 0 H GLY A 65 -3.936 16.931 20.125 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.094 15.315 17.974 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.042 14.353 19.437 1.00 0.00 H new ATOM 1066 N PRO A 66 -5.736 15.990 18.332 1.00 0.00 N ATOM 1067 CA PRO A 66 -7.193 15.899 18.188 1.00 0.00 C ATOM 1068 C PRO A 66 -7.604 14.795 17.219 1.00 0.00 C ATOM 1069 O PRO A 66 -7.347 14.884 16.018 1.00 0.00 O ATOM 1070 CB PRO A 66 -7.586 17.272 17.637 1.00 0.00 C ATOM 1071 CG PRO A 66 -6.351 17.794 16.987 1.00 0.00 C ATOM 1072 CD PRO A 66 -5.200 17.246 17.784 1.00 0.00 C ATOM 0 HA PRO A 66 -7.683 15.652 19.130 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.404 17.191 16.922 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.923 17.935 18.433 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.293 17.474 15.947 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.341 18.884 16.986 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.325 17.071 17.158 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.895 17.932 18.574 1.00 0.00 H new ATOM 1080 N LYS A 67 -8.233 13.750 17.747 1.00 0.00 N ATOM 1081 CA LYS A 67 -8.665 12.626 16.924 1.00 0.00 C ATOM 1082 C LYS A 67 -7.462 11.800 16.484 1.00 0.00 C ATOM 1083 O LYS A 67 -7.532 11.042 15.517 1.00 0.00 O ATOM 1084 CB LYS A 67 -9.435 13.125 15.699 1.00 0.00 C ATOM 1085 CG LYS A 67 -10.617 12.246 15.323 1.00 0.00 C ATOM 1086 CD LYS A 67 -11.939 12.899 15.689 1.00 0.00 C ATOM 1087 CE LYS A 67 -12.273 12.698 17.159 1.00 0.00 C ATOM 1088 NZ LYS A 67 -13.557 11.967 17.344 1.00 0.00 N ATOM 0 H LYS A 67 -8.454 13.658 18.738 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.326 11.996 17.520 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.792 14.137 15.892 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.753 13.184 14.851 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -10.595 12.044 14.252 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.532 11.285 15.831 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.893 13.965 15.468 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.735 12.480 15.074 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.468 12.144 17.641 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.333 13.668 17.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.747 11.851 18.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.330 12.507 16.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.491 11.031 16.895 1.00 0.00 H new ATOM 1102 N ALA A 68 -6.356 11.962 17.204 1.00 0.00 N ATOM 1103 CA ALA A 68 -5.124 11.247 16.902 1.00 0.00 C ATOM 1104 C ALA A 68 -5.157 9.824 17.433 1.00 0.00 C ATOM 1105 O ALA A 68 -4.281 9.023 17.120 1.00 0.00 O ATOM 1106 CB ALA A 68 -3.936 11.977 17.504 1.00 0.00 C ATOM 0 H ALA A 68 -6.290 12.588 18.007 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.027 11.207 15.817 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.020 11.434 17.272 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.877 12.982 17.087 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.057 12.039 18.585 1.00 0.00 H new ATOM 1112 N PHE A 69 -6.147 9.524 18.263 1.00 0.00 N ATOM 1113 CA PHE A 69 -6.257 8.199 18.859 1.00 0.00 C ATOM 1114 C PHE A 69 -6.525 7.114 17.818 1.00 0.00 C ATOM 1115 O PHE A 69 -5.617 6.369 17.451 1.00 0.00 O ATOM 1116 CB PHE A 69 -7.340 8.185 19.938 1.00 0.00 C ATOM 1117 CG PHE A 69 -6.967 7.334 21.113 1.00 0.00 C ATOM 1118 CD1 PHE A 69 -5.672 7.348 21.600 1.00 0.00 C ATOM 1119 CD2 PHE A 69 -7.898 6.508 21.717 1.00 0.00 C ATOM 1120 CE1 PHE A 69 -5.310 6.559 22.668 1.00 0.00 C ATOM 1121 CE2 PHE A 69 -7.541 5.711 22.785 1.00 0.00 C ATOM 1122 CZ PHE A 69 -6.245 5.735 23.263 1.00 0.00 C ATOM 0 H PHE A 69 -6.882 10.176 18.538 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.294 7.973 19.317 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.525 9.205 20.276 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.272 7.818 19.508 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.935 7.987 21.136 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.913 6.487 21.349 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.296 6.584 23.040 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -8.275 5.068 23.248 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.964 5.112 24.099 1.00 0.00 H new ATOM 1132 N ASP A 70 -7.769 7.016 17.356 1.00 0.00 N ATOM 1133 CA ASP A 70 -8.140 6.005 16.368 1.00 0.00 C ATOM 1134 C ASP A 70 -6.988 5.735 15.405 1.00 0.00 C ATOM 1135 O ASP A 70 -6.783 4.605 14.960 1.00 0.00 O ATOM 1136 CB ASP A 70 -9.380 6.451 15.592 1.00 0.00 C ATOM 1137 CG ASP A 70 -10.665 6.139 16.332 1.00 0.00 C ATOM 1138 OD1 ASP A 70 -10.610 5.377 17.320 1.00 0.00 O ATOM 1139 OD2 ASP A 70 -11.726 6.656 15.925 1.00 0.00 O ATOM 0 H ASP A 70 -8.536 7.622 17.648 1.00 0.00 H new ATOM 0 HA ASP A 70 -8.367 5.080 16.898 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -9.322 7.523 15.405 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.394 5.958 14.620 1.00 0.00 H new ATOM 1144 N THR A 71 -6.238 6.784 15.096 1.00 0.00 N ATOM 1145 CA THR A 71 -5.099 6.680 14.193 1.00 0.00 C ATOM 1146 C THR A 71 -3.845 6.254 14.949 1.00 0.00 C ATOM 1147 O THR A 71 -3.091 5.402 14.477 1.00 0.00 O ATOM 1148 CB THR A 71 -4.883 8.020 13.486 1.00 0.00 C ATOM 1149 OG1 THR A 71 -6.086 8.462 12.882 1.00 0.00 O ATOM 1150 CG2 THR A 71 -3.824 7.976 12.408 1.00 0.00 C ATOM 0 H THR A 71 -6.399 7.723 15.460 1.00 0.00 H new ATOM 0 HA THR A 71 -5.307 5.915 13.445 1.00 0.00 H new ATOM 0 HB THR A 71 -4.549 8.703 14.267 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.932 9.321 12.436 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.727 8.961 11.952 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.870 7.684 12.847 1.00 0.00 H new ATOM 0 HG23 THR A 71 -4.110 7.251 11.646 1.00 0.00 H new ATOM 1158 N PHE A 72 -3.630 6.829 16.129 1.00 0.00 N ATOM 1159 CA PHE A 72 -2.466 6.470 16.929 1.00 0.00 C ATOM 1160 C PHE A 72 -2.498 4.975 17.231 1.00 0.00 C ATOM 1161 O PHE A 72 -1.456 4.345 17.412 1.00 0.00 O ATOM 1162 CB PHE A 72 -2.393 7.306 18.221 1.00 0.00 C ATOM 1163 CG PHE A 72 -1.909 6.539 19.424 1.00 0.00 C ATOM 1164 CD1 PHE A 72 -0.602 6.082 19.494 1.00 0.00 C ATOM 1165 CD2 PHE A 72 -2.762 6.278 20.484 1.00 0.00 C ATOM 1166 CE1 PHE A 72 -0.156 5.380 20.598 1.00 0.00 C ATOM 1167 CE2 PHE A 72 -2.323 5.577 21.590 1.00 0.00 C ATOM 1168 CZ PHE A 72 -1.018 5.127 21.647 1.00 0.00 C ATOM 0 H PHE A 72 -4.237 7.535 16.546 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.564 6.693 16.359 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.730 8.155 18.054 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.382 7.711 18.435 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.076 6.277 18.676 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.783 6.627 20.445 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.865 5.030 20.640 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.999 5.381 22.409 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.672 4.578 22.511 1.00 0.00 H new ATOM 1178 N LEU A 73 -3.703 4.406 17.254 1.00 0.00 N ATOM 1179 CA LEU A 73 -3.866 2.977 17.499 1.00 0.00 C ATOM 1180 C LEU A 73 -3.607 2.205 16.219 1.00 0.00 C ATOM 1181 O LEU A 73 -3.047 1.112 16.237 1.00 0.00 O ATOM 1182 CB LEU A 73 -5.271 2.655 18.008 1.00 0.00 C ATOM 1183 CG LEU A 73 -5.717 3.431 19.240 1.00 0.00 C ATOM 1184 CD1 LEU A 73 -7.049 4.104 18.974 1.00 0.00 C ATOM 1185 CD2 LEU A 73 -5.817 2.502 20.441 1.00 0.00 C ATOM 0 H LEU A 73 -4.576 4.912 17.106 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.148 2.684 18.265 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.982 2.845 17.204 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.321 1.590 18.233 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.977 4.199 19.462 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.361 4.657 19.860 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.948 4.792 18.134 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.797 3.348 18.736 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.137 3.070 21.315 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.543 1.716 20.234 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.843 2.054 20.636 1.00 0.00 H new ATOM 1197 N ASP A 74 -4.004 2.796 15.103 1.00 0.00 N ATOM 1198 CA ASP A 74 -3.794 2.174 13.806 1.00 0.00 C ATOM 1199 C ASP A 74 -2.302 1.967 13.580 1.00 0.00 C ATOM 1200 O ASP A 74 -1.889 1.194 12.717 1.00 0.00 O ATOM 1201 CB ASP A 74 -4.385 3.041 12.694 1.00 0.00 C ATOM 1202 CG ASP A 74 -5.515 2.349 11.956 1.00 0.00 C ATOM 1203 OD1 ASP A 74 -5.273 1.271 11.375 1.00 0.00 O ATOM 1204 OD2 ASP A 74 -6.643 2.886 11.961 1.00 0.00 O ATOM 0 H ASP A 74 -4.472 3.702 15.069 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.298 1.208 13.787 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.752 3.974 13.122 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.599 3.303 11.985 1.00 0.00 H new ATOM 1209 N SER A 75 -1.502 2.667 14.382 1.00 0.00 N ATOM 1210 CA SER A 75 -0.049 2.568 14.302 1.00 0.00 C ATOM 1211 C SER A 75 0.464 1.479 15.226 1.00 0.00 C ATOM 1212 O SER A 75 1.397 0.757 14.886 1.00 0.00 O ATOM 1213 CB SER A 75 0.593 3.892 14.700 1.00 0.00 C ATOM 1214 OG SER A 75 0.621 4.038 16.110 1.00 0.00 O ATOM 0 H SER A 75 -1.839 3.311 15.097 1.00 0.00 H new ATOM 0 HA SER A 75 0.215 2.324 13.273 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.608 3.942 14.305 1.00 0.00 H new ATOM 0 HB3 SER A 75 0.037 4.718 14.256 1.00 0.00 H new ATOM 0 HG SER A 75 -0.281 3.910 16.470 1.00 0.00 H new ATOM 1220 N LEU A 76 -0.162 1.392 16.398 1.00 0.00 N ATOM 1221 CA LEU A 76 0.192 0.421 17.428 1.00 0.00 C ATOM 1222 C LEU A 76 1.004 -0.755 16.902 1.00 0.00 C ATOM 1223 O LEU A 76 0.491 -1.845 16.752 1.00 0.00 O ATOM 1224 CB LEU A 76 -1.084 -0.073 18.095 1.00 0.00 C ATOM 1225 CG LEU A 76 -1.566 0.822 19.218 1.00 0.00 C ATOM 1226 CD1 LEU A 76 -2.958 0.428 19.675 1.00 0.00 C ATOM 1227 CD2 LEU A 76 -0.580 0.747 20.350 1.00 0.00 C ATOM 0 H LEU A 76 -0.937 2.001 16.661 1.00 0.00 H new ATOM 0 HA LEU A 76 0.835 0.927 18.148 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.869 -0.154 17.343 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.914 -1.076 18.488 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.631 1.850 18.861 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.277 1.088 20.482 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.653 0.514 18.840 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.946 -0.602 20.032 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.914 1.387 21.167 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.508 -0.282 20.702 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.398 1.082 20.004 1.00 0.00 H new ATOM 1239 N GLN A 77 2.281 -0.528 16.642 1.00 0.00 N ATOM 1240 CA GLN A 77 3.161 -1.582 16.139 1.00 0.00 C ATOM 1241 C GLN A 77 2.830 -2.960 16.735 1.00 0.00 C ATOM 1242 O GLN A 77 3.117 -3.987 16.118 1.00 0.00 O ATOM 1243 CB GLN A 77 4.619 -1.231 16.438 1.00 0.00 C ATOM 1244 CG GLN A 77 5.477 -1.085 15.192 1.00 0.00 C ATOM 1245 CD GLN A 77 6.065 -2.404 14.730 1.00 0.00 C ATOM 1246 OE1 GLN A 77 6.498 -3.222 15.542 1.00 0.00 O ATOM 1247 NE2 GLN A 77 6.083 -2.617 13.420 1.00 0.00 N ATOM 0 H GLN A 77 2.736 0.376 16.769 1.00 0.00 H new ATOM 0 HA GLN A 77 3.003 -1.645 15.062 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.651 -0.299 17.003 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.047 -2.005 17.075 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.875 -0.659 14.389 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.285 -0.382 15.392 1.00 0.00 H new ATOM 0 HE21 GLN A 77 5.713 -1.911 12.783 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.467 -3.487 13.050 1.00 0.00 H new ATOM 1256 N GLU A 78 2.253 -2.987 17.939 1.00 0.00 N ATOM 1257 CA GLU A 78 1.925 -4.254 18.604 1.00 0.00 C ATOM 1258 C GLU A 78 0.428 -4.419 18.850 1.00 0.00 C ATOM 1259 O GLU A 78 0.017 -5.280 19.628 1.00 0.00 O ATOM 1260 CB GLU A 78 2.658 -4.337 19.935 1.00 0.00 C ATOM 1261 CG GLU A 78 3.245 -3.010 20.385 1.00 0.00 C ATOM 1262 CD GLU A 78 4.234 -3.160 21.524 1.00 0.00 C ATOM 1263 OE1 GLU A 78 5.188 -3.953 21.381 1.00 0.00 O ATOM 1264 OE2 GLU A 78 4.056 -2.484 22.559 1.00 0.00 O ATOM 0 H GLU A 78 2.004 -2.153 18.471 1.00 0.00 H new ATOM 0 HA GLU A 78 2.241 -5.056 17.937 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.969 -4.699 20.699 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.459 -5.072 19.855 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.741 -2.532 19.540 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.437 -2.348 20.696 1.00 0.00 H new ATOM 1271 N PHE A 79 -0.368 -3.581 18.200 1.00 0.00 N ATOM 1272 CA PHE A 79 -1.838 -3.597 18.342 1.00 0.00 C ATOM 1273 C PHE A 79 -2.376 -4.873 18.993 1.00 0.00 C ATOM 1274 O PHE A 79 -3.042 -4.810 20.026 1.00 0.00 O ATOM 1275 CB PHE A 79 -2.528 -3.409 16.997 1.00 0.00 C ATOM 1276 CG PHE A 79 -1.640 -2.841 15.943 1.00 0.00 C ATOM 1277 CD1 PHE A 79 -0.615 -3.594 15.396 1.00 0.00 C ATOM 1278 CD2 PHE A 79 -1.803 -1.534 15.528 1.00 0.00 C ATOM 1279 CE1 PHE A 79 0.232 -3.048 14.456 1.00 0.00 C ATOM 1280 CE2 PHE A 79 -0.966 -0.983 14.585 1.00 0.00 C ATOM 1281 CZ PHE A 79 0.058 -1.739 14.047 1.00 0.00 C ATOM 0 H PHE A 79 -0.024 -2.867 17.557 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.066 -2.761 19.003 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.911 -4.371 16.657 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.388 -2.752 17.128 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.478 -4.619 15.709 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.598 -0.936 15.949 1.00 0.00 H new ATOM 0 HE1 PHE A 79 1.031 -3.643 14.039 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.109 0.039 14.266 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.720 -1.309 13.310 1.00 0.00 H new ATOM 1291 N PRO A 80 -2.118 -6.048 18.387 1.00 0.00 N ATOM 1292 CA PRO A 80 -2.593 -7.329 18.896 1.00 0.00 C ATOM 1293 C PRO A 80 -2.762 -7.358 20.412 1.00 0.00 C ATOM 1294 O PRO A 80 -3.652 -8.033 20.928 1.00 0.00 O ATOM 1295 CB PRO A 80 -1.487 -8.271 18.445 1.00 0.00 C ATOM 1296 CG PRO A 80 -1.059 -7.724 17.121 1.00 0.00 C ATOM 1297 CD PRO A 80 -1.350 -6.237 17.142 1.00 0.00 C ATOM 0 HA PRO A 80 -3.587 -7.583 18.529 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -0.661 -8.285 19.156 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.848 -9.296 18.355 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.002 -7.907 16.953 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.599 -8.211 16.309 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -0.432 -5.649 17.145 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -1.923 -5.929 16.267 1.00 0.00 H new ATOM 1305 N TRP A 81 -1.910 -6.632 21.125 1.00 0.00 N ATOM 1306 CA TRP A 81 -1.986 -6.594 22.581 1.00 0.00 C ATOM 1307 C TRP A 81 -2.032 -5.162 23.109 1.00 0.00 C ATOM 1308 O TRP A 81 -2.521 -4.921 24.214 1.00 0.00 O ATOM 1309 CB TRP A 81 -0.800 -7.336 23.191 1.00 0.00 C ATOM 1310 CG TRP A 81 -0.578 -7.018 24.638 1.00 0.00 C ATOM 1311 CD1 TRP A 81 0.038 -5.912 25.146 1.00 0.00 C ATOM 1312 CD2 TRP A 81 -0.969 -7.813 25.763 1.00 0.00 C ATOM 1313 NE1 TRP A 81 0.057 -5.971 26.518 1.00 0.00 N ATOM 1314 CE2 TRP A 81 -0.555 -7.129 26.922 1.00 0.00 C ATOM 1315 CE3 TRP A 81 -1.628 -9.038 25.904 1.00 0.00 C ATOM 1316 CZ2 TRP A 81 -0.779 -7.628 28.202 1.00 0.00 C ATOM 1317 CZ3 TRP A 81 -1.850 -9.532 27.176 1.00 0.00 C ATOM 1318 CH2 TRP A 81 -1.427 -8.828 28.310 1.00 0.00 C ATOM 0 H TRP A 81 -1.163 -6.065 20.723 1.00 0.00 H new ATOM 0 HA TRP A 81 -2.913 -7.088 22.874 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -0.958 -8.409 23.083 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.101 -7.088 22.630 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.451 -5.107 24.555 1.00 0.00 H new ATOM 0 HE1 TRP A 81 0.461 -5.267 27.136 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -1.958 -9.588 25.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -0.453 -7.087 29.078 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -2.358 -10.477 27.297 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -1.616 -9.241 29.290 1.00 0.00 H new ATOM 1329 N VAL A 82 -1.533 -4.213 22.323 1.00 0.00 N ATOM 1330 CA VAL A 82 -1.539 -2.817 22.743 1.00 0.00 C ATOM 1331 C VAL A 82 -2.864 -2.159 22.389 1.00 0.00 C ATOM 1332 O VAL A 82 -3.436 -1.425 23.191 1.00 0.00 O ATOM 1333 CB VAL A 82 -0.399 -2.021 22.085 1.00 0.00 C ATOM 1334 CG1 VAL A 82 0.955 -2.579 22.493 1.00 0.00 C ATOM 1335 CG2 VAL A 82 -0.557 -2.046 20.579 1.00 0.00 C ATOM 0 H VAL A 82 -1.125 -4.382 21.404 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.396 -2.808 23.824 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.451 -0.987 22.427 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.746 -2.000 22.016 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.063 -2.517 23.576 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.028 -3.621 22.180 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.253 -1.481 20.119 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.526 -3.077 20.227 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.513 -1.598 20.306 1.00 0.00 H new ATOM 1345 N ARG A 83 -3.346 -2.437 21.182 1.00 0.00 N ATOM 1346 CA ARG A 83 -4.607 -1.878 20.713 1.00 0.00 C ATOM 1347 C ARG A 83 -5.762 -2.389 21.565 1.00 0.00 C ATOM 1348 O ARG A 83 -6.645 -1.623 21.951 1.00 0.00 O ATOM 1349 CB ARG A 83 -4.818 -2.210 19.224 1.00 0.00 C ATOM 1350 CG ARG A 83 -6.114 -2.949 18.912 1.00 0.00 C ATOM 1351 CD ARG A 83 -6.430 -2.921 17.426 1.00 0.00 C ATOM 1352 NE ARG A 83 -7.400 -3.947 17.054 1.00 0.00 N ATOM 1353 CZ ARG A 83 -8.174 -3.873 15.975 1.00 0.00 C ATOM 1354 NH1 ARG A 83 -8.093 -2.826 15.165 1.00 0.00 N ATOM 1355 NH2 ARG A 83 -9.033 -4.848 15.705 1.00 0.00 N ATOM 0 H ARG A 83 -2.881 -3.047 20.510 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.573 -0.793 20.812 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.799 -1.282 18.653 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.979 -2.814 18.878 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.034 -3.983 19.248 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.935 -2.496 19.468 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.819 -1.939 17.157 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.512 -3.067 16.857 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.489 -4.766 17.655 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.435 -2.073 15.368 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.688 -2.773 14.339 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -9.100 -5.655 16.325 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.626 -4.790 14.877 1.00 0.00 H new ATOM 1369 N GLU A 84 -5.745 -3.681 21.869 1.00 0.00 N ATOM 1370 CA GLU A 84 -6.785 -4.271 22.686 1.00 0.00 C ATOM 1371 C GLU A 84 -6.752 -3.665 24.073 1.00 0.00 C ATOM 1372 O GLU A 84 -7.789 -3.314 24.630 1.00 0.00 O ATOM 1373 CB GLU A 84 -6.597 -5.781 22.765 1.00 0.00 C ATOM 1374 CG GLU A 84 -6.203 -6.412 21.443 1.00 0.00 C ATOM 1375 CD GLU A 84 -7.053 -7.619 21.096 1.00 0.00 C ATOM 1376 OE1 GLU A 84 -7.175 -8.524 21.948 1.00 0.00 O ATOM 1377 OE2 GLU A 84 -7.598 -7.659 19.973 1.00 0.00 O ATOM 0 H GLU A 84 -5.024 -4.333 21.561 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.755 -4.065 22.232 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.832 -6.005 23.508 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.524 -6.237 23.114 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.292 -5.670 20.650 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.155 -6.710 21.485 1.00 0.00 H new ATOM 1384 N LYS A 85 -5.550 -3.531 24.617 1.00 0.00 N ATOM 1385 CA LYS A 85 -5.376 -2.947 25.938 1.00 0.00 C ATOM 1386 C LYS A 85 -5.624 -1.443 25.892 1.00 0.00 C ATOM 1387 O LYS A 85 -5.945 -0.827 26.909 1.00 0.00 O ATOM 1388 CB LYS A 85 -3.970 -3.232 26.467 1.00 0.00 C ATOM 1389 CG LYS A 85 -3.845 -4.578 27.162 1.00 0.00 C ATOM 1390 CD LYS A 85 -4.303 -5.713 26.260 1.00 0.00 C ATOM 1391 CE LYS A 85 -5.629 -6.293 26.724 1.00 0.00 C ATOM 1392 NZ LYS A 85 -5.460 -7.632 27.352 1.00 0.00 N ATOM 0 H LYS A 85 -4.683 -3.819 24.164 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.102 -3.401 26.613 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.264 -3.193 25.638 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.686 -2.444 27.165 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -2.809 -4.742 27.457 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.440 -4.574 28.075 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.402 -5.349 25.237 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.546 -6.497 26.248 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.093 -5.613 27.439 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.307 -6.373 25.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.387 -7.993 27.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.041 -8.288 26.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.833 -7.551 28.178 1.00 0.00 H new ATOM 1406 N LEU A 86 -5.486 -0.855 24.703 1.00 0.00 N ATOM 1407 CA LEU A 86 -5.708 0.575 24.538 1.00 0.00 C ATOM 1408 C LEU A 86 -7.188 0.874 24.467 1.00 0.00 C ATOM 1409 O LEU A 86 -7.752 1.506 25.361 1.00 0.00 O ATOM 1410 CB LEU A 86 -5.017 1.101 23.284 1.00 0.00 C ATOM 1411 CG LEU A 86 -3.997 2.189 23.570 1.00 0.00 C ATOM 1412 CD1 LEU A 86 -3.542 2.872 22.290 1.00 0.00 C ATOM 1413 CD2 LEU A 86 -4.592 3.192 24.546 1.00 0.00 C ATOM 0 H LEU A 86 -5.223 -1.346 23.848 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.280 1.079 25.405 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.522 0.273 22.776 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.770 1.490 22.599 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.114 1.735 24.019 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.812 3.645 22.530 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.086 2.136 21.627 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.401 3.325 21.794 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.862 3.975 24.754 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.487 3.637 24.111 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.854 2.685 25.475 1.00 0.00 H new ATOM 1425 N LYS A 87 -7.822 0.386 23.415 1.00 0.00 N ATOM 1426 CA LYS A 87 -9.247 0.572 23.254 1.00 0.00 C ATOM 1427 C LYS A 87 -9.936 0.016 24.479 1.00 0.00 C ATOM 1428 O LYS A 87 -11.064 0.389 24.800 1.00 0.00 O ATOM 1429 CB LYS A 87 -9.745 -0.111 21.980 1.00 0.00 C ATOM 1430 CG LYS A 87 -9.736 0.796 20.762 1.00 0.00 C ATOM 1431 CD LYS A 87 -9.385 0.027 19.499 1.00 0.00 C ATOM 1432 CE LYS A 87 -10.080 0.611 18.281 1.00 0.00 C ATOM 1433 NZ LYS A 87 -9.206 1.571 17.552 1.00 0.00 N ATOM 0 H LYS A 87 -7.372 -0.139 22.665 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.476 1.633 23.154 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.123 -0.983 21.778 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.759 -0.474 22.145 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.715 1.261 20.646 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.016 1.601 20.911 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.306 0.047 19.348 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.671 -1.018 19.617 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.374 -0.195 17.609 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.995 1.116 18.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.248 1.373 16.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.533 2.542 17.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.226 1.469 17.884 1.00 0.00 H new ATOM 1447 N LYS A 88 -9.221 -0.851 25.192 1.00 0.00 N ATOM 1448 CA LYS A 88 -9.725 -1.416 26.401 1.00 0.00 C ATOM 1449 C LYS A 88 -9.788 -0.308 27.440 1.00 0.00 C ATOM 1450 O LYS A 88 -10.697 -0.257 28.268 1.00 0.00 O ATOM 1451 CB LYS A 88 -8.799 -2.544 26.849 1.00 0.00 C ATOM 1452 CG LYS A 88 -8.698 -2.693 28.344 1.00 0.00 C ATOM 1453 CD LYS A 88 -7.380 -2.150 28.872 1.00 0.00 C ATOM 1454 CE LYS A 88 -7.060 -2.709 30.249 1.00 0.00 C ATOM 1455 NZ LYS A 88 -8.182 -2.502 31.207 1.00 0.00 N ATOM 0 H LYS A 88 -8.286 -1.167 24.935 1.00 0.00 H new ATOM 0 HA LYS A 88 -10.721 -1.835 26.261 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -9.154 -3.483 26.423 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.803 -2.366 26.443 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.526 -2.167 28.820 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.793 -3.745 28.613 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -6.577 -2.403 28.180 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -7.427 -1.062 28.921 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.844 -3.774 30.167 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.160 -2.230 30.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.852 -2.691 32.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -8.518 -1.520 31.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.961 -3.150 30.974 1.00 0.00 H new ATOM 1469 N ALA A 89 -8.812 0.595 27.361 1.00 0.00 N ATOM 1470 CA ALA A 89 -8.743 1.729 28.263 1.00 0.00 C ATOM 1471 C ALA A 89 -9.662 2.842 27.778 1.00 0.00 C ATOM 1472 O ALA A 89 -9.940 3.790 28.505 1.00 0.00 O ATOM 1473 CB ALA A 89 -7.313 2.231 28.383 1.00 0.00 C ATOM 0 H ALA A 89 -8.057 0.557 26.676 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.075 1.409 29.251 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.282 3.082 29.064 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.679 1.433 28.770 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.952 2.538 27.402 1.00 0.00 H new ATOM 1479 N ARG A 90 -10.160 2.706 26.551 1.00 0.00 N ATOM 1480 CA ARG A 90 -11.072 3.685 25.994 1.00 0.00 C ATOM 1481 C ARG A 90 -12.432 3.409 26.583 1.00 0.00 C ATOM 1482 O ARG A 90 -13.209 4.312 26.893 1.00 0.00 O ATOM 1483 CB ARG A 90 -11.096 3.569 24.462 1.00 0.00 C ATOM 1484 CG ARG A 90 -12.484 3.663 23.849 1.00 0.00 C ATOM 1485 CD ARG A 90 -13.058 5.064 23.984 1.00 0.00 C ATOM 1486 NE ARG A 90 -13.786 5.475 22.788 1.00 0.00 N ATOM 1487 CZ ARG A 90 -13.194 5.873 21.667 1.00 0.00 C ATOM 1488 NH1 ARG A 90 -11.870 5.907 21.591 1.00 0.00 N ATOM 1489 NH2 ARG A 90 -13.924 6.237 20.622 1.00 0.00 N ATOM 0 H ARG A 90 -9.944 1.927 25.930 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.758 4.701 26.235 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.471 4.356 24.040 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.648 2.618 24.174 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -12.437 3.388 22.795 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.147 2.948 24.336 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.725 5.101 24.845 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.250 5.770 24.177 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.805 5.456 22.814 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.306 5.627 22.393 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.416 6.213 20.730 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.942 6.212 20.678 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.467 6.542 19.762 1.00 0.00 H new ATOM 1503 N GLU A 91 -12.677 2.127 26.749 1.00 0.00 N ATOM 1504 CA GLU A 91 -13.907 1.638 27.323 1.00 0.00 C ATOM 1505 C GLU A 91 -13.926 1.909 28.825 1.00 0.00 C ATOM 1506 O GLU A 91 -14.969 2.219 29.401 1.00 0.00 O ATOM 1507 CB GLU A 91 -14.006 0.140 27.056 1.00 0.00 C ATOM 1508 CG GLU A 91 -14.620 -0.198 25.708 1.00 0.00 C ATOM 1509 CD GLU A 91 -16.039 -0.722 25.826 1.00 0.00 C ATOM 1510 OE1 GLU A 91 -16.597 -0.677 26.942 1.00 0.00 O ATOM 1511 OE2 GLU A 91 -16.590 -1.176 24.802 1.00 0.00 O ATOM 0 H GLU A 91 -12.021 1.391 26.487 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.758 2.149 26.872 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.009 -0.297 27.112 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.601 -0.322 27.843 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.617 0.692 25.078 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.002 -0.944 25.209 1.00 0.00 H new ATOM 1518 N GLU A 92 -12.757 1.780 29.451 1.00 0.00 N ATOM 1519 CA GLU A 92 -12.618 1.998 30.888 1.00 0.00 C ATOM 1520 C GLU A 92 -12.254 3.447 31.219 1.00 0.00 C ATOM 1521 O GLU A 92 -12.960 4.112 31.978 1.00 0.00 O ATOM 1522 CB GLU A 92 -11.563 1.054 31.464 1.00 0.00 C ATOM 1523 CG GLU A 92 -12.147 -0.209 32.078 1.00 0.00 C ATOM 1524 CD GLU A 92 -11.452 -0.609 33.364 1.00 0.00 C ATOM 1525 OE1 GLU A 92 -10.260 -0.980 33.304 1.00 0.00 O ATOM 1526 OE2 GLU A 92 -12.098 -0.554 34.431 1.00 0.00 O ATOM 0 H GLU A 92 -11.889 1.524 28.981 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.586 1.789 31.343 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.866 0.775 30.673 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.988 1.585 32.223 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.208 -0.055 32.276 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.072 -1.026 31.360 1.00 0.00 H new ATOM 1533 N ALA A 93 -11.139 3.930 30.667 1.00 0.00 N ATOM 1534 CA ALA A 93 -10.688 5.294 30.935 1.00 0.00 C ATOM 1535 C ALA A 93 -11.765 6.314 30.578 1.00 0.00 C ATOM 1536 O ALA A 93 -11.802 7.410 31.137 1.00 0.00 O ATOM 1537 CB ALA A 93 -9.389 5.595 30.193 1.00 0.00 C ATOM 0 H ALA A 93 -10.537 3.400 30.037 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.495 5.374 32.005 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.075 6.616 30.409 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.615 4.900 30.519 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.548 5.484 29.120 1.00 0.00 H new ATOM 1543 N MET A 94 -12.647 5.947 29.652 1.00 0.00 N ATOM 1544 CA MET A 94 -13.727 6.836 29.236 1.00 0.00 C ATOM 1545 C MET A 94 -14.727 7.031 30.370 1.00 0.00 C ATOM 1546 O MET A 94 -15.267 6.064 30.908 1.00 0.00 O ATOM 1547 CB MET A 94 -14.441 6.275 28.005 1.00 0.00 C ATOM 1548 CG MET A 94 -15.710 7.028 27.640 1.00 0.00 C ATOM 1549 SD MET A 94 -16.846 6.036 26.651 1.00 0.00 S ATOM 1550 CE MET A 94 -17.691 7.312 25.720 1.00 0.00 C ATOM 0 H MET A 94 -12.635 5.044 29.177 1.00 0.00 H new ATOM 0 HA MET A 94 -13.291 7.802 28.981 1.00 0.00 H new ATOM 0 HB2 MET A 94 -13.757 6.300 27.156 1.00 0.00 H new ATOM 0 HB3 MET A 94 -14.689 5.229 28.185 1.00 0.00 H new ATOM 0 HG2 MET A 94 -16.213 7.348 28.552 1.00 0.00 H new ATOM 0 HG3 MET A 94 -15.447 7.930 27.088 1.00 0.00 H new ATOM 0 HE1 MET A 94 -18.403 6.852 25.035 1.00 0.00 H new ATOM 0 HE2 MET A 94 -18.222 7.972 26.406 1.00 0.00 H new ATOM 0 HE3 MET A 94 -16.963 7.890 25.152 1.00 0.00 H new ATOM 1560 N THR A 95 -14.968 8.286 30.732 1.00 0.00 N ATOM 1561 CA THR A 95 -15.902 8.605 31.805 1.00 0.00 C ATOM 1562 C THR A 95 -17.304 8.100 31.480 1.00 0.00 C ATOM 1563 O THR A 95 -17.770 8.223 30.347 1.00 0.00 O ATOM 1564 CB THR A 95 -15.937 10.114 32.046 1.00 0.00 C ATOM 1565 OG1 THR A 95 -16.497 10.788 30.932 1.00 0.00 O ATOM 1566 CG2 THR A 95 -14.571 10.709 32.305 1.00 0.00 C ATOM 0 H THR A 95 -14.530 9.099 30.298 1.00 0.00 H new ATOM 0 HA THR A 95 -15.557 8.105 32.710 1.00 0.00 H new ATOM 0 HB THR A 95 -16.550 10.250 32.937 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.512 11.752 31.107 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.667 11.782 32.468 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.134 10.245 33.189 1.00 0.00 H new ATOM 0 HG23 THR A 95 -13.927 10.529 31.445 1.00 0.00 H new ATOM 1574 N ASP A 96 -17.969 7.533 32.482 1.00 0.00 N ATOM 1575 CA ASP A 96 -19.321 7.010 32.309 1.00 0.00 C ATOM 1576 C ASP A 96 -19.773 6.248 33.552 1.00 0.00 C ATOM 1577 O ASP A 96 -20.184 5.091 33.468 1.00 0.00 O ATOM 1578 CB ASP A 96 -19.386 6.095 31.085 1.00 0.00 C ATOM 1579 CG ASP A 96 -20.631 6.334 30.252 1.00 0.00 C ATOM 1580 OD1 ASP A 96 -21.392 7.269 30.579 1.00 0.00 O ATOM 1581 OD2 ASP A 96 -20.843 5.589 29.273 1.00 0.00 O ATOM 0 H ASP A 96 -17.593 7.424 33.424 1.00 0.00 H new ATOM 0 HA ASP A 96 -19.993 7.855 32.157 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -18.502 6.255 30.467 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -19.363 5.055 31.410 1.00 0.00 H new ATOM 1586 N LEU A 97 -19.694 6.906 34.704 1.00 0.00 N ATOM 1587 CA LEU A 97 -20.095 6.294 35.967 1.00 0.00 C ATOM 1588 C LEU A 97 -19.119 5.196 36.378 1.00 0.00 C ATOM 1589 O LEU A 97 -19.252 4.044 35.965 1.00 0.00 O ATOM 1590 CB LEU A 97 -21.510 5.721 35.855 1.00 0.00 C ATOM 1591 CG LEU A 97 -22.526 6.316 36.832 1.00 0.00 C ATOM 1592 CD1 LEU A 97 -23.441 7.299 36.117 1.00 0.00 C ATOM 1593 CD2 LEU A 97 -23.338 5.213 37.494 1.00 0.00 C ATOM 0 H LEU A 97 -19.356 7.864 34.790 1.00 0.00 H new ATOM 0 HA LEU A 97 -20.084 7.068 36.734 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.870 5.878 34.838 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -21.463 4.644 36.014 1.00 0.00 H new ATOM 0 HG LEU A 97 -21.983 6.855 37.608 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -24.157 7.712 36.827 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.846 8.106 35.691 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -23.977 6.784 35.320 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -24.056 5.655 38.186 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -23.871 4.646 36.731 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -22.670 4.547 38.040 1.00 0.00 H new ATOM 1605 N PRO A 98 -18.117 5.547 37.199 1.00 0.00 N ATOM 1606 CA PRO A 98 -17.107 4.607 37.672 1.00 0.00 C ATOM 1607 C PRO A 98 -17.524 3.898 38.957 1.00 0.00 C ATOM 1608 O PRO A 98 -17.439 4.467 40.045 1.00 0.00 O ATOM 1609 CB PRO A 98 -15.911 5.517 37.926 1.00 0.00 C ATOM 1610 CG PRO A 98 -16.505 6.824 38.343 1.00 0.00 C ATOM 1611 CD PRO A 98 -17.885 6.902 37.729 1.00 0.00 C ATOM 0 HA PRO A 98 -16.919 3.801 36.962 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -15.264 5.111 38.703 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -15.301 5.628 37.029 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -16.562 6.892 39.429 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -15.885 7.654 38.004 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -18.637 7.175 38.470 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -17.929 7.652 36.939 1.00 0.00 H new ATOM 1619 N ALA A 99 -17.970 2.653 38.825 1.00 0.00 N ATOM 1620 CA ALA A 99 -18.395 1.869 39.980 1.00 0.00 C ATOM 1621 C ALA A 99 -17.202 1.483 40.847 1.00 0.00 C ATOM 1622 O ALA A 99 -16.364 0.677 40.444 1.00 0.00 O ATOM 1623 CB ALA A 99 -19.145 0.625 39.529 1.00 0.00 C ATOM 0 H ALA A 99 -18.047 2.166 37.932 1.00 0.00 H new ATOM 0 HA ALA A 99 -19.065 2.485 40.579 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -19.455 0.051 40.402 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -20.025 0.918 38.956 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -18.493 0.013 38.905 1.00 0.00 H new ATOM 1629 N GLY A 100 -17.130 2.066 42.039 1.00 0.00 N ATOM 1630 CA GLY A 100 -16.033 1.772 42.943 1.00 0.00 C ATOM 1631 C GLY A 100 -15.038 2.912 43.037 1.00 0.00 C ATOM 1632 O GLY A 100 -15.390 3.961 43.617 1.00 0.00 O ATOM 1633 OXT GLY A 100 -13.907 2.755 42.532 1.00 0.00 O ATOM 0 H GLY A 100 -17.811 2.736 42.395 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -16.431 1.558 43.935 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -15.519 0.872 42.605 1.00 0.00 H new TER 1637 GLY A 100