USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 938 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 92 HIS : no HD1:sc= -4.86! K(o=-15!,f=-13) USER MOD Set 1.2: A 94 MET CE :methyl -116:sc= -5.94! (180deg=-12.2!) USER MOD Set 1.3: A 99 GLN : amide:sc= -3.72 X(o=-15,f=-15!) USER MOD Set 2.1: A 60 SER OG : rot 140:sc= -0.339 USER MOD Set 2.2: A 61 HIS : no HE2:sc= -5.3 K(o=-5.6,f=-3!) USER MOD Single : A 1 GLY N :NH3+ 172:sc= 0 (180deg=-0.0578) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -158:sc= 0 (180deg=-0.941) USER MOD Single : A 14 HIS : no HD1:sc= -15! C(o=-15!,f=-21!) USER MOD Single : A 18 HIS : no HD1:sc= -10.5! C(o=-11!,f=-12!) USER MOD Single : A 19 GLN : amide:sc= -3.55! C(o=-3.5!,f=-5.7!) USER MOD Single : A 23 TYR OH : rot 23:sc= -0.641! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.165 K(o=-0.16,f=-1.7!) USER MOD Single : A 30 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -3.94! C(o=-3.9!,f=-3.5!) USER MOD Single : A 48 GLN : amide:sc= -11.8! C(o=-12!,f=-9.7!) USER MOD Single : A 50 GLN : amide:sc= -0.0774 X(o=-0.077,f=-0.077) USER MOD Single : A 64 THR OG1 : rot 122:sc= -0.531 USER MOD Single : A 65 SER OG : rot -65:sc= 0.579 USER MOD Single : A 66 GLN : amide:sc= -2.59 K(o=-2.6,f=-8.5!) USER MOD Single : A 70 MET CE :methyl -169:sc= -1.52 (180deg=-1.87!) USER MOD Single : A 72 GLN : amide:sc= -0.942 K(o=-0.94,f=-0.28) USER MOD Single : A 74 TYR OH : rot 105:sc= 0.138 USER MOD Single : A 79 TYR OH : rot -148:sc= -1.56 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.348 K(o=-0.35,f=-2.4!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot -57:sc= 0.917 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 HIS : no HD1:sc= -15.2! C(o=-15!,f=-12!) USER MOD Single : A 104 LYS NZ :NH3+ -130:sc= -0.338 (180deg=-2.2) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HE2:sc= -0.058 K(o=-0.058,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.546 19.778 -15.396 1.00 0.00 N ATOM 2 CA GLY A 1 -24.755 19.037 -15.083 1.00 0.00 C ATOM 3 C GLY A 1 -24.889 17.802 -15.976 1.00 0.00 C ATOM 4 O GLY A 1 -25.961 17.537 -16.519 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.546 20.678 -14.875 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.714 19.218 -15.120 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.511 19.969 -16.418 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.739 18.733 -14.036 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.625 19.681 -15.214 1.00 0.00 H new ATOM 8 N SER A 2 -23.785 17.080 -16.102 1.00 0.00 N ATOM 9 CA SER A 2 -23.765 15.881 -16.922 1.00 0.00 C ATOM 10 C SER A 2 -23.356 14.674 -16.074 1.00 0.00 C ATOM 11 O SER A 2 -23.925 13.593 -16.211 1.00 0.00 O ATOM 12 CB SER A 2 -22.815 16.042 -18.111 1.00 0.00 C ATOM 13 OG SER A 2 -22.755 14.863 -18.909 1.00 0.00 O ATOM 0 H SER A 2 -22.898 17.302 -15.650 1.00 0.00 H new ATOM 0 HA SER A 2 -24.769 15.718 -17.314 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.143 16.880 -18.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.817 16.285 -17.747 1.00 0.00 H new ATOM 0 HG SER A 2 -22.140 15.006 -19.658 1.00 0.00 H new ATOM 19 N MET A 3 -22.372 14.901 -15.217 1.00 0.00 N ATOM 20 CA MET A 3 -21.879 13.847 -14.347 1.00 0.00 C ATOM 21 C MET A 3 -20.949 12.900 -15.108 1.00 0.00 C ATOM 22 O MET A 3 -21.374 11.839 -15.563 1.00 0.00 O ATOM 23 CB MET A 3 -23.060 13.057 -13.781 1.00 0.00 C ATOM 24 CG MET A 3 -22.935 12.894 -12.265 1.00 0.00 C ATOM 25 SD MET A 3 -22.483 11.213 -11.868 1.00 0.00 S ATOM 26 CE MET A 3 -20.746 11.434 -11.522 1.00 0.00 C ATOM 0 H MET A 3 -21.902 15.800 -15.106 1.00 0.00 H new ATOM 0 HA MET A 3 -21.315 14.306 -13.535 1.00 0.00 H new ATOM 0 HB2 MET A 3 -23.992 13.569 -14.020 1.00 0.00 H new ATOM 0 HB3 MET A 3 -23.105 12.076 -14.253 1.00 0.00 H new ATOM 0 HG2 MET A 3 -22.184 13.583 -11.877 1.00 0.00 H new ATOM 0 HG3 MET A 3 -23.880 13.149 -11.784 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.228 10.482 -11.639 1.00 0.00 H new ATOM 0 HE2 MET A 3 -20.327 12.163 -12.215 1.00 0.00 H new ATOM 0 HE3 MET A 3 -20.621 11.792 -10.500 1.00 0.00 H new ATOM 36 N ALA A 4 -19.695 13.316 -15.221 1.00 0.00 N ATOM 37 CA ALA A 4 -18.702 12.518 -15.918 1.00 0.00 C ATOM 38 C ALA A 4 -18.525 11.183 -15.191 1.00 0.00 C ATOM 39 O ALA A 4 -18.911 11.048 -14.031 1.00 0.00 O ATOM 40 CB ALA A 4 -17.394 13.305 -16.019 1.00 0.00 C ATOM 0 H ALA A 4 -19.345 14.196 -14.841 1.00 0.00 H new ATOM 0 HA ALA A 4 -19.030 12.299 -16.934 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -16.649 12.706 -16.542 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -17.567 14.230 -16.569 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -17.033 13.540 -15.018 1.00 0.00 H new ATOM 46 N GLY A 5 -17.942 10.230 -15.904 1.00 0.00 N ATOM 47 CA GLY A 5 -17.709 8.911 -15.341 1.00 0.00 C ATOM 48 C GLY A 5 -16.799 8.991 -14.114 1.00 0.00 C ATOM 49 O GLY A 5 -17.013 9.822 -13.232 1.00 0.00 O ATOM 0 H GLY A 5 -17.624 10.345 -16.866 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -18.660 8.457 -15.064 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.255 8.266 -16.093 1.00 0.00 H new ATOM 53 N GLU A 6 -15.804 8.116 -14.096 1.00 0.00 N ATOM 54 CA GLU A 6 -14.861 8.079 -12.991 1.00 0.00 C ATOM 55 C GLU A 6 -13.566 7.387 -13.422 1.00 0.00 C ATOM 56 O GLU A 6 -13.602 6.375 -14.122 1.00 0.00 O ATOM 57 CB GLU A 6 -15.473 7.387 -11.772 1.00 0.00 C ATOM 58 CG GLU A 6 -14.479 7.346 -10.609 1.00 0.00 C ATOM 59 CD GLU A 6 -14.779 8.451 -9.594 1.00 0.00 C ATOM 60 OE1 GLU A 6 -15.907 8.537 -9.086 1.00 0.00 O ATOM 61 OE2 GLU A 6 -13.789 9.236 -9.335 1.00 0.00 O ATOM 0 H GLU A 6 -15.630 7.428 -14.828 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.625 9.104 -12.705 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.376 7.915 -11.465 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.771 6.372 -12.037 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.527 6.374 -10.119 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.464 7.462 -10.989 1.00 0.00 H new ATOM 69 N ASP A 7 -12.453 7.959 -12.988 1.00 0.00 N ATOM 70 CA ASP A 7 -11.150 7.409 -13.319 1.00 0.00 C ATOM 71 C ASP A 7 -10.763 6.361 -12.274 1.00 0.00 C ATOM 72 O ASP A 7 -11.396 6.262 -11.224 1.00 0.00 O ATOM 73 CB ASP A 7 -10.075 8.498 -13.316 1.00 0.00 C ATOM 74 CG ASP A 7 -10.414 9.742 -14.139 1.00 0.00 C ATOM 75 OD1 ASP A 7 -11.051 9.653 -15.200 1.00 0.00 O ATOM 76 OD2 ASP A 7 -9.989 10.856 -13.644 1.00 0.00 O ATOM 0 H ASP A 7 -12.427 8.799 -12.409 1.00 0.00 H new ATOM 0 HA ASP A 7 -11.214 6.968 -14.314 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -9.889 8.802 -12.286 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.146 8.072 -13.695 1.00 0.00 H new ATOM 82 N VAL A 8 -9.725 5.603 -12.598 1.00 0.00 N ATOM 83 CA VAL A 8 -9.247 4.565 -11.702 1.00 0.00 C ATOM 84 C VAL A 8 -9.246 5.096 -10.267 1.00 0.00 C ATOM 85 O VAL A 8 -9.305 6.306 -10.050 1.00 0.00 O ATOM 86 CB VAL A 8 -7.873 4.071 -12.158 1.00 0.00 C ATOM 87 CG1 VAL A 8 -7.411 2.879 -11.316 1.00 0.00 C ATOM 88 CG2 VAL A 8 -7.884 3.719 -13.648 1.00 0.00 C ATOM 0 H VAL A 8 -9.202 5.688 -13.470 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.912 3.702 -11.729 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.159 4.882 -12.010 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.432 2.548 -11.661 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.345 3.176 -10.269 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.127 2.063 -11.417 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.895 3.371 -13.947 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.616 2.933 -13.831 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.148 4.603 -14.229 1.00 0.00 H new ATOM 98 N GLY A 9 -9.177 4.167 -9.325 1.00 0.00 N ATOM 99 CA GLY A 9 -9.167 4.528 -7.919 1.00 0.00 C ATOM 100 C GLY A 9 -7.765 4.948 -7.470 1.00 0.00 C ATOM 101 O GLY A 9 -7.541 6.108 -7.127 1.00 0.00 O ATOM 0 H GLY A 9 -9.127 3.165 -9.509 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.868 5.344 -7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.506 3.683 -7.320 1.00 0.00 H new ATOM 105 N ALA A 10 -6.858 3.982 -7.487 1.00 0.00 N ATOM 106 CA ALA A 10 -5.485 4.237 -7.087 1.00 0.00 C ATOM 107 C ALA A 10 -4.581 3.140 -7.652 1.00 0.00 C ATOM 108 O ALA A 10 -4.963 1.970 -7.682 1.00 0.00 O ATOM 109 CB ALA A 10 -5.406 4.328 -5.561 1.00 0.00 C ATOM 0 H ALA A 10 -7.048 3.021 -7.772 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.139 5.189 -7.489 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.376 4.519 -5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.043 5.141 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.743 3.389 -5.123 1.00 0.00 H new ATOM 115 N PRO A 11 -3.369 3.566 -8.098 1.00 0.00 N ATOM 116 CA PRO A 11 -2.408 2.633 -8.661 1.00 0.00 C ATOM 117 C PRO A 11 -1.748 1.797 -7.563 1.00 0.00 C ATOM 118 O PRO A 11 -1.963 2.043 -6.377 1.00 0.00 O ATOM 119 CB PRO A 11 -1.419 3.499 -9.423 1.00 0.00 C ATOM 120 CG PRO A 11 -1.592 4.908 -8.879 1.00 0.00 C ATOM 121 CD PRO A 11 -2.884 4.943 -8.079 1.00 0.00 C ATOM 0 HA PRO A 11 -2.870 1.902 -9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.398 3.147 -9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.617 3.467 -10.494 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.745 5.181 -8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.628 5.630 -9.694 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.709 5.287 -7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.608 5.624 -8.526 1.00 0.00 H new ATOM 129 N PRO A 12 -0.938 0.800 -8.008 1.00 0.00 N ATOM 130 CA PRO A 12 -0.244 -0.073 -7.077 1.00 0.00 C ATOM 131 C PRO A 12 0.940 0.647 -6.427 1.00 0.00 C ATOM 132 O PRO A 12 2.034 0.680 -6.989 1.00 0.00 O ATOM 133 CB PRO A 12 0.173 -1.278 -7.903 1.00 0.00 C ATOM 134 CG PRO A 12 0.111 -0.830 -9.354 1.00 0.00 C ATOM 135 CD PRO A 12 -0.661 0.479 -9.405 1.00 0.00 C ATOM 0 HA PRO A 12 -0.872 -0.379 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.179 -1.604 -7.638 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.493 -2.122 -7.726 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.115 -0.697 -9.756 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.379 -1.587 -9.967 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.077 1.265 -9.884 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.583 0.373 -9.977 1.00 0.00 H new ATOM 143 N ASP A 13 0.681 1.205 -5.254 1.00 0.00 N ATOM 144 CA ASP A 13 1.712 1.921 -4.523 1.00 0.00 C ATOM 145 C ASP A 13 3.021 1.131 -4.590 1.00 0.00 C ATOM 146 O ASP A 13 4.103 1.710 -4.523 1.00 0.00 O ATOM 147 CB ASP A 13 1.332 2.081 -3.049 1.00 0.00 C ATOM 148 CG ASP A 13 2.473 2.524 -2.131 1.00 0.00 C ATOM 149 OD1 ASP A 13 3.225 1.693 -1.601 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.575 3.799 -1.966 1.00 0.00 O ATOM 0 H ASP A 13 -0.228 1.176 -4.792 1.00 0.00 H new ATOM 0 HA ASP A 13 1.824 2.906 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.523 2.808 -2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.941 1.131 -2.685 1.00 0.00 H new ATOM 156 N HIS A 14 2.878 -0.180 -4.723 1.00 0.00 N ATOM 157 CA HIS A 14 4.034 -1.054 -4.801 1.00 0.00 C ATOM 158 C HIS A 14 3.685 -2.295 -5.626 1.00 0.00 C ATOM 159 O HIS A 14 2.535 -2.735 -5.636 1.00 0.00 O ATOM 160 CB HIS A 14 4.552 -1.399 -3.404 1.00 0.00 C ATOM 161 CG HIS A 14 3.944 -2.648 -2.814 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.431 -2.699 -1.530 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.773 -3.893 -3.346 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.974 -3.923 -1.309 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.188 -4.661 -2.436 1.00 0.00 N ATOM 0 H HIS A 14 1.978 -0.657 -4.779 1.00 0.00 H new ATOM 0 HA HIS A 14 4.849 -0.538 -5.310 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.634 -1.521 -3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.353 -0.560 -2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.064 -4.201 -4.339 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.513 -4.274 -0.397 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.939 -5.642 -2.559 1.00 0.00 H new ATOM 173 N LEU A 15 4.697 -2.825 -6.297 1.00 0.00 N ATOM 174 CA LEU A 15 4.510 -4.006 -7.124 1.00 0.00 C ATOM 175 C LEU A 15 5.586 -5.037 -6.782 1.00 0.00 C ATOM 176 O LEU A 15 6.711 -4.675 -6.439 1.00 0.00 O ATOM 177 CB LEU A 15 4.473 -3.623 -8.604 1.00 0.00 C ATOM 178 CG LEU A 15 3.209 -2.905 -9.080 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.424 -2.267 -10.454 1.00 0.00 C ATOM 180 CD2 LEU A 15 2.005 -3.848 -9.069 1.00 0.00 C ATOM 0 H LEU A 15 5.649 -2.459 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 15 3.546 -4.469 -6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.331 -2.984 -8.815 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.597 -4.529 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 15 2.992 -2.098 -8.381 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.510 -1.763 -10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.236 -1.542 -10.396 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.680 -3.040 -11.178 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.120 -3.312 -9.412 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.198 -4.692 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.838 -4.213 -8.056 1.00 0.00 H new ATOM 192 N TRP A 16 5.205 -6.302 -6.888 1.00 0.00 N ATOM 193 CA TRP A 16 6.124 -7.388 -6.593 1.00 0.00 C ATOM 194 C TRP A 16 6.053 -8.391 -7.746 1.00 0.00 C ATOM 195 O TRP A 16 5.045 -9.075 -7.919 1.00 0.00 O ATOM 196 CB TRP A 16 5.812 -8.017 -5.234 1.00 0.00 C ATOM 197 CG TRP A 16 6.155 -7.122 -4.041 1.00 0.00 C ATOM 198 CD1 TRP A 16 7.252 -6.373 -3.860 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.348 -6.912 -2.864 1.00 0.00 C ATOM 200 NE1 TRP A 16 7.210 -5.699 -2.657 1.00 0.00 N ATOM 201 CE2 TRP A 16 6.016 -6.036 -2.032 1.00 0.00 C ATOM 202 CE3 TRP A 16 4.095 -7.443 -2.514 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.509 -5.615 -0.797 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.602 -7.013 -1.276 1.00 0.00 C ATOM 205 CH2 TRP A 16 4.262 -6.132 -0.426 1.00 0.00 C ATOM 0 H TRP A 16 4.272 -6.599 -7.174 1.00 0.00 H new ATOM 0 HA TRP A 16 7.146 -7.018 -6.514 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.752 -8.266 -5.195 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.363 -8.953 -5.143 1.00 0.00 H new ATOM 0 HD1 TRP A 16 8.066 -6.306 -4.567 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.925 -5.069 -2.293 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.555 -8.129 -3.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 6.051 -4.928 -0.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.642 -7.392 -0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.815 -5.848 0.515 1.00 0.00 H new ATOM 216 N VAL A 17 7.137 -8.449 -8.506 1.00 0.00 N ATOM 217 CA VAL A 17 7.211 -9.358 -9.637 1.00 0.00 C ATOM 218 C VAL A 17 7.299 -10.797 -9.124 1.00 0.00 C ATOM 219 O VAL A 17 8.245 -11.153 -8.424 1.00 0.00 O ATOM 220 CB VAL A 17 8.385 -8.974 -10.541 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.717 -9.128 -9.806 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.372 -9.793 -11.834 1.00 0.00 C ATOM 0 H VAL A 17 7.972 -7.881 -8.360 1.00 0.00 H new ATOM 0 HA VAL A 17 6.310 -9.284 -10.246 1.00 0.00 H new ATOM 0 HB VAL A 17 8.272 -7.924 -10.809 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.534 -8.849 -10.471 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.726 -8.481 -8.929 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.842 -10.165 -9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.216 -9.501 -12.458 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.448 -10.853 -11.594 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.442 -9.609 -12.372 1.00 0.00 H new ATOM 232 N HIS A 18 6.299 -11.584 -9.492 1.00 0.00 N ATOM 233 CA HIS A 18 6.251 -12.976 -9.078 1.00 0.00 C ATOM 234 C HIS A 18 6.401 -13.881 -10.302 1.00 0.00 C ATOM 235 O HIS A 18 6.958 -14.974 -10.206 1.00 0.00 O ATOM 236 CB HIS A 18 4.977 -13.262 -8.282 1.00 0.00 C ATOM 237 CG HIS A 18 4.668 -14.732 -8.124 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.390 -15.313 -6.899 1.00 0.00 N ATOM 239 CD2 HIS A 18 4.596 -15.732 -9.049 1.00 0.00 C ATOM 240 CE1 HIS A 18 4.163 -16.604 -7.090 1.00 0.00 C ATOM 241 NE2 HIS A 18 4.291 -16.862 -8.423 1.00 0.00 N ATOM 0 H HIS A 18 5.516 -11.284 -10.072 1.00 0.00 H new ATOM 0 HA HIS A 18 7.084 -13.189 -8.408 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.070 -12.813 -7.293 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.136 -12.775 -8.775 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.759 -15.623 -10.111 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.919 -17.326 -6.324 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.172 -17.773 -8.866 1.00 0.00 H new ATOM 249 N GLN A 19 5.895 -13.394 -11.425 1.00 0.00 N ATOM 250 CA GLN A 19 5.965 -14.145 -12.666 1.00 0.00 C ATOM 251 C GLN A 19 6.518 -13.264 -13.789 1.00 0.00 C ATOM 252 O GLN A 19 6.425 -12.039 -13.726 1.00 0.00 O ATOM 253 CB GLN A 19 4.595 -14.715 -13.040 1.00 0.00 C ATOM 254 CG GLN A 19 4.401 -16.110 -12.443 1.00 0.00 C ATOM 255 CD GLN A 19 4.065 -17.131 -13.533 1.00 0.00 C ATOM 256 OE1 GLN A 19 4.878 -17.954 -13.920 1.00 0.00 O ATOM 257 NE2 GLN A 19 2.824 -17.032 -14.003 1.00 0.00 N ATOM 0 H GLN A 19 5.434 -12.487 -11.501 1.00 0.00 H new ATOM 0 HA GLN A 19 6.644 -14.985 -12.522 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.810 -14.049 -12.681 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.501 -14.763 -14.125 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.308 -16.415 -11.921 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.600 -16.085 -11.704 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.194 -16.319 -13.634 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.502 -17.669 -14.732 1.00 0.00 H new ATOM 266 N GLU A 20 7.080 -13.923 -14.792 1.00 0.00 N ATOM 267 CA GLU A 20 7.648 -13.216 -15.927 1.00 0.00 C ATOM 268 C GLU A 20 6.609 -12.274 -16.539 1.00 0.00 C ATOM 269 O GLU A 20 5.633 -12.724 -17.137 1.00 0.00 O ATOM 270 CB GLU A 20 8.182 -14.196 -16.973 1.00 0.00 C ATOM 271 CG GLU A 20 8.216 -13.554 -18.361 1.00 0.00 C ATOM 272 CD GLU A 20 8.802 -14.516 -19.397 1.00 0.00 C ATOM 273 OE1 GLU A 20 10.028 -14.567 -19.570 1.00 0.00 O ATOM 274 OE2 GLU A 20 7.935 -15.227 -20.032 1.00 0.00 O ATOM 0 H GLU A 20 7.154 -14.939 -14.842 1.00 0.00 H new ATOM 0 HA GLU A 20 8.489 -12.619 -15.574 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.185 -14.520 -16.694 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.554 -15.087 -16.996 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.207 -13.266 -18.657 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.812 -12.642 -18.329 1.00 0.00 H new ATOM 282 N GLY A 21 6.855 -10.983 -16.368 1.00 0.00 N ATOM 283 CA GLY A 21 5.953 -9.974 -16.896 1.00 0.00 C ATOM 284 C GLY A 21 4.692 -9.861 -16.037 1.00 0.00 C ATOM 285 O GLY A 21 3.624 -9.514 -16.538 1.00 0.00 O ATOM 0 H GLY A 21 7.666 -10.613 -15.871 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.461 -9.010 -16.931 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.678 -10.227 -17.920 1.00 0.00 H new ATOM 289 N ILE A 22 4.858 -10.161 -14.756 1.00 0.00 N ATOM 290 CA ILE A 22 3.747 -10.097 -13.822 1.00 0.00 C ATOM 291 C ILE A 22 4.212 -9.427 -12.528 1.00 0.00 C ATOM 292 O ILE A 22 5.396 -9.460 -12.198 1.00 0.00 O ATOM 293 CB ILE A 22 3.145 -11.488 -13.613 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.096 -11.798 -14.683 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.580 -11.633 -12.198 1.00 0.00 C ATOM 296 CD1 ILE A 22 2.737 -12.462 -15.903 1.00 0.00 C ATOM 0 H ILE A 22 5.745 -10.449 -14.344 1.00 0.00 H new ATOM 0 HA ILE A 22 2.942 -9.483 -14.227 1.00 0.00 H new ATOM 0 HB ILE A 22 3.941 -12.225 -13.720 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.331 -12.454 -14.268 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.597 -10.877 -14.986 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.158 -12.630 -12.075 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.378 -11.484 -11.471 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.801 -10.887 -12.039 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.970 -12.672 -16.648 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.485 -11.794 -16.330 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.214 -13.394 -15.601 1.00 0.00 H new ATOM 308 N TYR A 23 3.255 -8.834 -11.830 1.00 0.00 N ATOM 309 CA TYR A 23 3.552 -8.156 -10.579 1.00 0.00 C ATOM 310 C TYR A 23 2.371 -8.250 -9.611 1.00 0.00 C ATOM 311 O TYR A 23 1.220 -8.347 -10.036 1.00 0.00 O ATOM 312 CB TYR A 23 3.784 -6.687 -10.942 1.00 0.00 C ATOM 313 CG TYR A 23 5.238 -6.350 -11.273 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.131 -6.073 -10.258 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.658 -6.322 -12.587 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.501 -5.756 -10.569 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.027 -6.005 -12.899 1.00 0.00 C ATOM 318 CZ TYR A 23 7.881 -5.737 -11.875 1.00 0.00 C ATOM 319 OH TYR A 23 9.175 -5.438 -12.170 1.00 0.00 O ATOM 0 H TYR A 23 2.274 -8.809 -12.106 1.00 0.00 H new ATOM 0 HA TYR A 23 4.416 -8.608 -10.092 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.159 -6.432 -11.798 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.457 -6.062 -10.111 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.802 -6.094 -9.229 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.959 -6.538 -13.382 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.210 -5.538 -9.784 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.368 -5.981 -13.923 1.00 0.00 H new ATOM 0 HH TYR A 23 9.741 -5.633 -11.394 1.00 0.00 H new ATOM 329 N ARG A 24 2.696 -8.219 -8.327 1.00 0.00 N ATOM 330 CA ARG A 24 1.676 -8.300 -7.295 1.00 0.00 C ATOM 331 C ARG A 24 1.467 -6.930 -6.648 1.00 0.00 C ATOM 332 O ARG A 24 2.430 -6.247 -6.303 1.00 0.00 O ATOM 333 CB ARG A 24 2.066 -9.313 -6.216 1.00 0.00 C ATOM 334 CG ARG A 24 0.888 -10.227 -5.872 1.00 0.00 C ATOM 335 CD ARG A 24 1.354 -11.671 -5.673 1.00 0.00 C ATOM 336 NE ARG A 24 2.263 -11.754 -4.508 1.00 0.00 N ATOM 337 CZ ARG A 24 1.848 -11.932 -3.236 1.00 0.00 C ATOM 338 NH1 ARG A 24 0.532 -12.048 -2.955 1.00 0.00 N ATOM 339 NH2 ARG A 24 2.747 -11.991 -2.271 1.00 0.00 N ATOM 0 H ARG A 24 3.651 -8.139 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 24 0.750 -8.627 -7.767 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.908 -9.913 -6.562 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.397 -8.787 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.399 -9.871 -4.965 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.147 -10.187 -6.670 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.493 -12.322 -5.520 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.865 -12.024 -6.569 1.00 0.00 H new ATOM 0 HE ARG A 24 3.266 -11.672 -4.677 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.156 -12.001 -3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.226 -12.182 -1.991 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.739 -11.902 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.450 -12.125 -1.305 1.00 0.00 H new ATOM 352 N ASP A 25 0.201 -6.569 -6.500 1.00 0.00 N ATOM 353 CA ASP A 25 -0.149 -5.293 -5.899 1.00 0.00 C ATOM 354 C ASP A 25 -0.078 -5.416 -4.376 1.00 0.00 C ATOM 355 O ASP A 25 0.296 -6.465 -3.851 1.00 0.00 O ATOM 356 CB ASP A 25 -1.573 -4.878 -6.273 1.00 0.00 C ATOM 357 CG ASP A 25 -1.845 -3.374 -6.216 1.00 0.00 C ATOM 358 OD1 ASP A 25 -1.241 -2.645 -5.414 1.00 0.00 O ATOM 359 OD2 ASP A 25 -2.731 -2.948 -7.051 1.00 0.00 O ATOM 0 H ASP A 25 -0.596 -7.138 -6.786 1.00 0.00 H new ATOM 0 HA ASP A 25 0.552 -4.544 -6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.785 -5.232 -7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.270 -5.383 -5.604 1.00 0.00 H new ATOM 365 N GLU A 26 -0.443 -4.332 -3.708 1.00 0.00 N ATOM 366 CA GLU A 26 -0.426 -4.305 -2.255 1.00 0.00 C ATOM 367 C GLU A 26 -1.821 -4.601 -1.702 1.00 0.00 C ATOM 368 O GLU A 26 -2.102 -4.327 -0.537 1.00 0.00 O ATOM 369 CB GLU A 26 0.096 -2.963 -1.738 1.00 0.00 C ATOM 370 CG GLU A 26 -0.956 -1.866 -1.903 1.00 0.00 C ATOM 371 CD GLU A 26 -0.475 -0.788 -2.878 1.00 0.00 C ATOM 372 OE1 GLU A 26 0.458 -1.029 -3.658 1.00 0.00 O ATOM 373 OE2 GLU A 26 -1.108 0.334 -2.806 1.00 0.00 O ATOM 0 H GLU A 26 -0.753 -3.465 -4.147 1.00 0.00 H new ATOM 0 HA GLU A 26 0.254 -5.081 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.369 -3.055 -0.687 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.001 -2.688 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.887 -2.301 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.172 -1.415 -0.934 1.00 0.00 H new ATOM 381 N TYR A 27 -2.658 -5.159 -2.565 1.00 0.00 N ATOM 382 CA TYR A 27 -4.017 -5.496 -2.177 1.00 0.00 C ATOM 383 C TYR A 27 -4.465 -6.805 -2.828 1.00 0.00 C ATOM 384 O TYR A 27 -5.649 -6.991 -3.108 1.00 0.00 O ATOM 385 CB TYR A 27 -4.897 -4.356 -2.695 1.00 0.00 C ATOM 386 CG TYR A 27 -5.021 -3.177 -1.727 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.625 -3.353 -0.498 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.527 -1.938 -2.082 1.00 0.00 C ATOM 389 CE1 TYR A 27 -5.741 -2.243 0.412 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.644 -0.828 -1.172 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.244 -1.036 0.031 1.00 0.00 C ATOM 392 OH TYR A 27 -5.355 0.012 0.890 1.00 0.00 O ATOM 0 H TYR A 27 -2.421 -5.386 -3.531 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.088 -5.622 -1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.489 -3.996 -3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.893 -4.746 -2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.010 -4.323 -0.219 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.053 -1.801 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.212 -2.366 1.376 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.264 0.147 -1.439 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.956 0.810 0.486 1.00 0.00 H new ATOM 402 N GLN A 28 -3.495 -7.680 -3.052 1.00 0.00 N ATOM 403 CA GLN A 28 -3.775 -8.966 -3.667 1.00 0.00 C ATOM 404 C GLN A 28 -4.258 -8.774 -5.106 1.00 0.00 C ATOM 405 O GLN A 28 -5.215 -9.418 -5.534 1.00 0.00 O ATOM 406 CB GLN A 28 -4.796 -9.756 -2.846 1.00 0.00 C ATOM 407 CG GLN A 28 -4.131 -10.433 -1.646 1.00 0.00 C ATOM 408 CD GLN A 28 -4.863 -11.722 -1.268 1.00 0.00 C ATOM 409 OE1 GLN A 28 -5.444 -12.402 -2.097 1.00 0.00 O ATOM 410 NE2 GLN A 28 -4.803 -12.018 0.027 1.00 0.00 N ATOM 0 H GLN A 28 -2.515 -7.523 -2.818 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.851 -9.544 -3.690 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.585 -9.088 -2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.270 -10.509 -3.476 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.091 -10.657 -1.881 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.126 -9.751 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.299 -11.405 0.668 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.261 -12.858 0.380 1.00 0.00 H new ATOM 419 N ARG A 29 -3.575 -7.885 -5.812 1.00 0.00 N ATOM 420 CA ARG A 29 -3.923 -7.600 -7.194 1.00 0.00 C ATOM 421 C ARG A 29 -2.745 -7.923 -8.116 1.00 0.00 C ATOM 422 O ARG A 29 -1.691 -7.296 -8.024 1.00 0.00 O ATOM 423 CB ARG A 29 -4.312 -6.131 -7.370 1.00 0.00 C ATOM 424 CG ARG A 29 -5.825 -5.982 -7.541 1.00 0.00 C ATOM 425 CD ARG A 29 -6.266 -4.539 -7.282 1.00 0.00 C ATOM 426 NE ARG A 29 -7.611 -4.524 -6.663 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.763 -4.670 -7.352 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.744 -4.845 -8.690 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.908 -4.641 -6.696 1.00 0.00 N ATOM 0 H ARG A 29 -2.782 -7.353 -5.453 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.776 -8.225 -7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.982 -5.557 -6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.801 -5.717 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.112 -6.278 -8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.340 -6.653 -6.853 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.550 -4.043 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.281 -3.981 -8.218 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.671 -4.395 -5.653 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.855 -4.868 -9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.619 -4.954 -9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.913 -4.510 -5.684 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.788 -4.750 -7.201 1.00 0.00 H new ATOM 442 N THR A 30 -2.965 -8.900 -8.982 1.00 0.00 N ATOM 443 CA THR A 30 -1.934 -9.316 -9.918 1.00 0.00 C ATOM 444 C THR A 30 -1.844 -8.328 -11.084 1.00 0.00 C ATOM 445 O THR A 30 -2.851 -7.761 -11.502 1.00 0.00 O ATOM 446 CB THR A 30 -2.245 -10.748 -10.358 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.644 -10.732 -10.632 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.100 -11.756 -9.217 1.00 0.00 C ATOM 0 H THR A 30 -3.842 -9.416 -9.056 1.00 0.00 H new ATOM 0 HA THR A 30 -0.949 -9.311 -9.451 1.00 0.00 H new ATOM 0 HB THR A 30 -1.581 -11.028 -11.176 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.792 -10.455 -11.560 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.332 -12.756 -9.583 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.077 -11.735 -8.841 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.787 -11.496 -8.412 1.00 0.00 H new ATOM 456 N TRP A 31 -0.625 -8.153 -11.575 1.00 0.00 N ATOM 457 CA TRP A 31 -0.389 -7.244 -12.684 1.00 0.00 C ATOM 458 C TRP A 31 0.406 -7.997 -13.751 1.00 0.00 C ATOM 459 O TRP A 31 1.076 -8.984 -13.451 1.00 0.00 O ATOM 460 CB TRP A 31 0.309 -5.969 -12.206 1.00 0.00 C ATOM 461 CG TRP A 31 -0.585 -5.042 -11.380 1.00 0.00 C ATOM 462 CD1 TRP A 31 -0.969 -5.187 -10.105 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.195 -3.813 -11.828 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.778 -4.146 -9.699 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.921 -3.283 -10.780 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.136 -3.169 -13.077 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.641 -2.087 -10.873 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.863 -1.975 -13.154 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.598 -1.429 -12.108 1.00 0.00 C ATOM 0 H TRP A 31 0.209 -8.625 -11.225 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.331 -6.914 -13.121 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.178 -6.245 -11.609 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.678 -5.422 -13.074 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.681 -6.015 -9.474 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.195 -4.030 -8.775 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.574 -3.564 -13.911 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.200 -1.693 -10.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.852 -1.440 -14.092 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.133 -0.501 -12.247 1.00 0.00 H new ATOM 480 N VAL A 32 0.306 -7.503 -14.976 1.00 0.00 N ATOM 481 CA VAL A 32 1.007 -8.118 -16.091 1.00 0.00 C ATOM 482 C VAL A 32 1.921 -7.081 -16.748 1.00 0.00 C ATOM 483 O VAL A 32 1.475 -6.293 -17.580 1.00 0.00 O ATOM 484 CB VAL A 32 0.001 -8.731 -17.067 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.527 -8.676 -18.503 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.349 -10.166 -16.665 1.00 0.00 C ATOM 0 H VAL A 32 -0.250 -6.684 -15.221 1.00 0.00 H new ATOM 0 HA VAL A 32 1.640 -8.934 -15.741 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.913 -8.139 -17.022 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.207 -9.118 -19.177 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.701 -7.638 -18.787 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.462 -9.232 -18.570 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.066 -10.578 -17.375 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.555 -10.775 -16.667 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.786 -10.168 -15.666 1.00 0.00 H new ATOM 496 N ALA A 33 3.184 -7.115 -16.348 1.00 0.00 N ATOM 497 CA ALA A 33 4.165 -6.189 -16.888 1.00 0.00 C ATOM 498 C ALA A 33 4.673 -6.718 -18.231 1.00 0.00 C ATOM 499 O ALA A 33 5.372 -7.728 -18.280 1.00 0.00 O ATOM 500 CB ALA A 33 5.293 -5.992 -15.873 1.00 0.00 C ATOM 0 H ALA A 33 3.550 -7.769 -15.656 1.00 0.00 H new ATOM 0 HA ALA A 33 3.715 -5.213 -17.068 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.029 -5.297 -16.278 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.883 -5.588 -14.947 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.771 -6.950 -15.670 1.00 0.00 H new ATOM 506 N VAL A 34 4.303 -6.010 -19.287 1.00 0.00 N ATOM 507 CA VAL A 34 4.712 -6.394 -20.627 1.00 0.00 C ATOM 508 C VAL A 34 5.895 -5.526 -21.062 1.00 0.00 C ATOM 509 O VAL A 34 5.710 -4.506 -21.725 1.00 0.00 O ATOM 510 CB VAL A 34 3.522 -6.307 -21.585 1.00 0.00 C ATOM 511 CG1 VAL A 34 3.970 -6.499 -23.035 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.439 -7.318 -21.205 1.00 0.00 C ATOM 0 H VAL A 34 3.724 -5.172 -19.242 1.00 0.00 H new ATOM 0 HA VAL A 34 5.046 -7.431 -20.641 1.00 0.00 H new ATOM 0 HB VAL A 34 3.093 -5.309 -21.498 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.105 -6.433 -23.695 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.689 -5.723 -23.300 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.436 -7.478 -23.145 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.604 -7.236 -21.901 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.851 -8.326 -21.249 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.089 -7.113 -20.193 1.00 0.00 H new ATOM 522 N VAL A 35 7.084 -5.963 -20.673 1.00 0.00 N ATOM 523 CA VAL A 35 8.296 -5.238 -21.015 1.00 0.00 C ATOM 524 C VAL A 35 8.334 -5.000 -22.525 1.00 0.00 C ATOM 525 O VAL A 35 8.533 -5.935 -23.300 1.00 0.00 O ATOM 526 CB VAL A 35 9.521 -5.995 -20.497 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.688 -7.330 -21.226 1.00 0.00 C ATOM 528 CG2 VAL A 35 10.785 -5.141 -20.621 1.00 0.00 C ATOM 0 H VAL A 35 7.234 -6.810 -20.124 1.00 0.00 H new ATOM 0 HA VAL A 35 8.306 -4.261 -20.533 1.00 0.00 H new ATOM 0 HB VAL A 35 9.362 -6.208 -19.440 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.565 -7.848 -20.839 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.803 -7.946 -21.065 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.815 -7.148 -22.293 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.641 -5.702 -20.246 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.949 -4.884 -21.667 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.666 -4.228 -20.038 1.00 0.00 H new ATOM 538 N GLU A 36 8.140 -3.744 -22.899 1.00 0.00 N ATOM 539 CA GLU A 36 8.150 -3.370 -24.303 1.00 0.00 C ATOM 540 C GLU A 36 9.308 -2.411 -24.589 1.00 0.00 C ATOM 541 O GLU A 36 9.145 -1.194 -24.508 1.00 0.00 O ATOM 542 CB GLU A 36 6.813 -2.754 -24.716 1.00 0.00 C ATOM 543 CG GLU A 36 5.811 -3.837 -25.121 1.00 0.00 C ATOM 544 CD GLU A 36 4.375 -3.387 -24.846 1.00 0.00 C ATOM 545 OE1 GLU A 36 4.079 -2.892 -23.748 1.00 0.00 O ATOM 546 OE2 GLU A 36 3.552 -3.563 -25.824 1.00 0.00 O ATOM 0 H GLU A 36 7.975 -2.972 -22.253 1.00 0.00 H new ATOM 0 HA GLU A 36 8.296 -4.272 -24.898 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.408 -2.169 -23.890 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.967 -2.067 -25.548 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.927 -4.067 -26.180 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.020 -4.755 -24.571 1.00 0.00 H new ATOM 554 N GLU A 37 10.451 -2.996 -24.917 1.00 0.00 N ATOM 555 CA GLU A 37 11.635 -2.208 -25.214 1.00 0.00 C ATOM 556 C GLU A 37 11.292 -1.083 -26.192 1.00 0.00 C ATOM 557 O GLU A 37 10.833 -1.341 -27.304 1.00 0.00 O ATOM 558 CB GLU A 37 12.757 -3.092 -25.765 1.00 0.00 C ATOM 559 CG GLU A 37 14.036 -2.281 -25.981 1.00 0.00 C ATOM 560 CD GLU A 37 15.237 -3.202 -26.206 1.00 0.00 C ATOM 561 OE1 GLU A 37 15.333 -4.262 -25.571 1.00 0.00 O ATOM 562 OE2 GLU A 37 16.090 -2.783 -27.078 1.00 0.00 O ATOM 0 H GLU A 37 10.582 -4.005 -24.984 1.00 0.00 H new ATOM 0 HA GLU A 37 11.992 -1.760 -24.287 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.953 -3.911 -25.073 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.442 -3.540 -26.707 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.912 -1.622 -26.840 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.218 -1.645 -25.115 1.00 0.00 H new ATOM 570 N GLU A 38 11.530 0.141 -25.745 1.00 0.00 N ATOM 571 CA GLU A 38 11.252 1.307 -26.566 1.00 0.00 C ATOM 572 C GLU A 38 12.383 1.527 -27.574 1.00 0.00 C ATOM 573 O GLU A 38 13.476 0.987 -27.414 1.00 0.00 O ATOM 574 CB GLU A 38 11.040 2.550 -25.701 1.00 0.00 C ATOM 575 CG GLU A 38 9.809 2.391 -24.806 1.00 0.00 C ATOM 576 CD GLU A 38 8.522 2.647 -25.593 1.00 0.00 C ATOM 577 OE1 GLU A 38 7.605 1.813 -25.570 1.00 0.00 O ATOM 578 OE2 GLU A 38 8.494 3.759 -26.245 1.00 0.00 O ATOM 0 H GLU A 38 11.913 0.351 -24.823 1.00 0.00 H new ATOM 0 HA GLU A 38 10.329 1.127 -27.117 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.922 2.724 -25.085 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.920 3.425 -26.339 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.788 1.386 -24.385 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.872 3.086 -23.969 1.00 0.00 H new ATOM 586 N THR A 39 12.079 2.321 -28.591 1.00 0.00 N ATOM 587 CA THR A 39 13.055 2.618 -29.625 1.00 0.00 C ATOM 588 C THR A 39 14.382 3.053 -28.996 1.00 0.00 C ATOM 589 O THR A 39 15.451 2.730 -29.511 1.00 0.00 O ATOM 590 CB THR A 39 12.451 3.671 -30.557 1.00 0.00 C ATOM 591 OG1 THR A 39 11.432 2.967 -31.261 1.00 0.00 O ATOM 592 CG2 THR A 39 13.424 4.112 -31.652 1.00 0.00 C ATOM 0 H THR A 39 11.171 2.767 -28.720 1.00 0.00 H new ATOM 0 HA THR A 39 13.286 1.733 -30.217 1.00 0.00 H new ATOM 0 HB THR A 39 12.145 4.539 -29.973 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.987 3.576 -31.887 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.945 4.859 -32.285 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.316 4.541 -31.195 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.705 3.250 -32.257 1.00 0.00 H new ATOM 600 N SER A 40 14.267 3.777 -27.893 1.00 0.00 N ATOM 601 CA SER A 40 15.444 4.258 -27.189 1.00 0.00 C ATOM 602 C SER A 40 15.126 4.443 -25.704 1.00 0.00 C ATOM 603 O SER A 40 15.574 5.407 -25.085 1.00 0.00 O ATOM 604 CB SER A 40 15.948 5.571 -27.792 1.00 0.00 C ATOM 605 OG SER A 40 17.200 5.408 -28.453 1.00 0.00 O ATOM 0 H SER A 40 13.378 4.042 -27.469 1.00 0.00 H new ATOM 0 HA SER A 40 16.234 3.514 -27.295 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.211 5.952 -28.499 1.00 0.00 H new ATOM 0 HB3 SER A 40 16.048 6.317 -27.004 1.00 0.00 H new ATOM 0 HG SER A 40 17.487 6.267 -28.826 1.00 0.00 H new ATOM 611 N PHE A 41 14.354 3.504 -25.175 1.00 0.00 N ATOM 612 CA PHE A 41 13.971 3.553 -23.775 1.00 0.00 C ATOM 613 C PHE A 41 13.434 2.198 -23.307 1.00 0.00 C ATOM 614 O PHE A 41 13.497 1.214 -24.042 1.00 0.00 O ATOM 615 CB PHE A 41 12.862 4.598 -23.649 1.00 0.00 C ATOM 616 CG PHE A 41 13.369 6.012 -23.355 1.00 0.00 C ATOM 617 CD1 PHE A 41 14.194 6.231 -22.296 1.00 0.00 C ATOM 618 CD2 PHE A 41 12.997 7.048 -24.153 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.665 7.543 -22.023 1.00 0.00 C ATOM 620 CE2 PHE A 41 13.469 8.359 -23.879 1.00 0.00 C ATOM 621 CZ PHE A 41 14.293 8.579 -22.820 1.00 0.00 C ATOM 0 H PHE A 41 13.984 2.706 -25.691 1.00 0.00 H new ATOM 0 HA PHE A 41 14.836 3.804 -23.162 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.286 4.615 -24.574 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.180 4.295 -22.854 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.491 5.408 -21.663 1.00 0.00 H new ATOM 0 HD2 PHE A 41 12.343 6.874 -24.995 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.319 7.717 -21.182 1.00 0.00 H new ATOM 0 HE2 PHE A 41 13.173 9.182 -24.512 1.00 0.00 H new ATOM 0 HZ PHE A 41 14.652 9.576 -22.612 1.00 0.00 H new ATOM 631 N LEU A 42 12.916 2.192 -22.087 1.00 0.00 N ATOM 632 CA LEU A 42 12.369 0.975 -21.513 1.00 0.00 C ATOM 633 C LEU A 42 10.938 1.240 -21.039 1.00 0.00 C ATOM 634 O LEU A 42 10.689 2.194 -20.305 1.00 0.00 O ATOM 635 CB LEU A 42 13.290 0.438 -20.415 1.00 0.00 C ATOM 636 CG LEU A 42 14.553 -0.281 -20.893 1.00 0.00 C ATOM 637 CD1 LEU A 42 15.214 -1.049 -19.748 1.00 0.00 C ATOM 638 CD2 LEU A 42 14.250 -1.186 -22.090 1.00 0.00 C ATOM 0 H LEU A 42 12.864 3.011 -21.481 1.00 0.00 H new ATOM 0 HA LEU A 42 12.317 0.189 -22.266 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.589 1.271 -19.779 1.00 0.00 H new ATOM 0 HB3 LEU A 42 12.718 -0.250 -19.792 1.00 0.00 H new ATOM 0 HG LEU A 42 15.266 0.471 -21.230 1.00 0.00 H new ATOM 0 HD11 LEU A 42 16.109 -1.551 -20.115 1.00 0.00 H new ATOM 0 HD12 LEU A 42 15.487 -0.354 -18.954 1.00 0.00 H new ATOM 0 HD13 LEU A 42 14.517 -1.790 -19.357 1.00 0.00 H new ATOM 0 HD21 LEU A 42 15.165 -1.685 -22.410 1.00 0.00 H new ATOM 0 HD22 LEU A 42 13.510 -1.933 -21.803 1.00 0.00 H new ATOM 0 HD23 LEU A 42 13.859 -0.585 -22.911 1.00 0.00 H new ATOM 650 N ARG A 43 10.034 0.376 -21.478 1.00 0.00 N ATOM 651 CA ARG A 43 8.635 0.504 -21.108 1.00 0.00 C ATOM 652 C ARG A 43 8.097 -0.834 -20.595 1.00 0.00 C ATOM 653 O ARG A 43 8.201 -1.852 -21.277 1.00 0.00 O ATOM 654 CB ARG A 43 7.790 0.961 -22.299 1.00 0.00 C ATOM 655 CG ARG A 43 6.298 0.909 -21.965 1.00 0.00 C ATOM 656 CD ARG A 43 5.564 2.119 -22.545 1.00 0.00 C ATOM 657 NE ARG A 43 5.320 1.918 -23.991 1.00 0.00 N ATOM 658 CZ ARG A 43 4.387 1.080 -24.493 1.00 0.00 C ATOM 659 NH1 ARG A 43 3.600 0.358 -23.667 1.00 0.00 N ATOM 660 NH2 ARG A 43 4.256 0.979 -25.802 1.00 0.00 N ATOM 0 H ARG A 43 10.244 -0.415 -22.086 1.00 0.00 H new ATOM 0 HA ARG A 43 8.568 1.254 -20.320 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.069 1.977 -22.578 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.996 0.326 -23.161 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.864 -0.009 -22.363 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.164 0.882 -20.884 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.617 2.264 -22.025 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.155 3.022 -22.390 1.00 0.00 H new ATOM 0 HE ARG A 43 5.893 2.446 -24.650 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.708 0.443 -22.656 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.898 -0.273 -24.054 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.854 1.529 -26.418 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.556 0.351 -26.198 1.00 0.00 H new ATOM 673 N ALA A 44 7.534 -0.788 -19.396 1.00 0.00 N ATOM 674 CA ALA A 44 6.980 -1.983 -18.784 1.00 0.00 C ATOM 675 C ALA A 44 5.477 -1.790 -18.566 1.00 0.00 C ATOM 676 O ALA A 44 5.054 -1.340 -17.502 1.00 0.00 O ATOM 677 CB ALA A 44 7.724 -2.281 -17.481 1.00 0.00 C ATOM 0 H ALA A 44 7.450 0.058 -18.833 1.00 0.00 H new ATOM 0 HA ALA A 44 7.110 -2.845 -19.439 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.308 -3.178 -17.022 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.781 -2.439 -17.694 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.613 -1.439 -16.798 1.00 0.00 H new ATOM 683 N ARG A 45 4.714 -2.140 -19.590 1.00 0.00 N ATOM 684 CA ARG A 45 3.268 -2.010 -19.525 1.00 0.00 C ATOM 685 C ARG A 45 2.694 -2.982 -18.492 1.00 0.00 C ATOM 686 O ARG A 45 2.669 -4.191 -18.719 1.00 0.00 O ATOM 687 CB ARG A 45 2.628 -2.286 -20.886 1.00 0.00 C ATOM 688 CG ARG A 45 1.138 -1.935 -20.874 1.00 0.00 C ATOM 689 CD ARG A 45 0.295 -3.102 -21.390 1.00 0.00 C ATOM 690 NE ARG A 45 0.987 -3.766 -22.517 1.00 0.00 N ATOM 691 CZ ARG A 45 0.667 -4.990 -22.988 1.00 0.00 C ATOM 692 NH1 ARG A 45 -0.341 -5.696 -22.431 1.00 0.00 N ATOM 693 NH2 ARG A 45 1.353 -5.487 -24.001 1.00 0.00 N ATOM 0 H ARG A 45 5.069 -2.514 -20.470 1.00 0.00 H new ATOM 0 HA ARG A 45 3.040 -0.985 -19.231 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.136 -1.704 -21.655 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.755 -3.337 -21.145 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.829 -1.679 -19.860 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.963 -1.054 -21.492 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.120 -3.818 -20.587 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.681 -2.741 -21.714 1.00 0.00 H new ATOM 0 HE ARG A 45 1.755 -3.267 -22.967 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.866 -5.305 -21.649 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.577 -6.620 -22.792 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.113 -4.947 -24.416 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.123 -6.410 -24.368 1.00 0.00 H new ATOM 706 N VAL A 46 2.246 -2.418 -17.380 1.00 0.00 N ATOM 707 CA VAL A 46 1.674 -3.220 -16.312 1.00 0.00 C ATOM 708 C VAL A 46 0.152 -3.246 -16.460 1.00 0.00 C ATOM 709 O VAL A 46 -0.513 -2.230 -16.262 1.00 0.00 O ATOM 710 CB VAL A 46 2.134 -2.687 -14.953 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.219 -3.814 -13.922 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.472 -1.954 -15.076 1.00 0.00 C ATOM 0 H VAL A 46 2.268 -1.415 -17.195 1.00 0.00 H new ATOM 0 HA VAL A 46 2.025 -4.250 -16.377 1.00 0.00 H new ATOM 0 HB VAL A 46 1.390 -1.970 -14.605 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.548 -3.408 -12.965 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.238 -4.273 -13.803 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.932 -4.565 -14.262 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.776 -1.585 -14.096 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.229 -2.640 -15.457 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.365 -1.114 -15.763 1.00 0.00 H new ATOM 722 N GLN A 47 -0.357 -4.420 -16.806 1.00 0.00 N ATOM 723 CA GLN A 47 -1.789 -4.592 -16.981 1.00 0.00 C ATOM 724 C GLN A 47 -2.370 -5.418 -15.831 1.00 0.00 C ATOM 725 O GLN A 47 -1.875 -6.503 -15.530 1.00 0.00 O ATOM 726 CB GLN A 47 -2.101 -5.237 -18.332 1.00 0.00 C ATOM 727 CG GLN A 47 -3.524 -5.801 -18.354 1.00 0.00 C ATOM 728 CD GLN A 47 -4.226 -5.465 -19.673 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.699 -6.330 -20.392 1.00 0.00 O ATOM 730 NE2 GLN A 47 -4.266 -4.164 -19.948 1.00 0.00 N ATOM 0 H GLN A 47 0.197 -5.261 -16.970 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.258 -3.608 -16.967 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.986 -4.500 -19.126 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.386 -6.035 -18.532 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.493 -6.882 -18.219 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.094 -5.392 -17.520 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.850 -3.493 -19.302 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.713 -3.837 -20.805 1.00 0.00 H new ATOM 739 N GLN A 48 -3.411 -4.872 -15.220 1.00 0.00 N ATOM 740 CA GLN A 48 -4.063 -5.544 -14.110 1.00 0.00 C ATOM 741 C GLN A 48 -5.131 -6.511 -14.626 1.00 0.00 C ATOM 742 O GLN A 48 -6.055 -6.102 -15.328 1.00 0.00 O ATOM 743 CB GLN A 48 -4.667 -4.532 -13.135 1.00 0.00 C ATOM 744 CG GLN A 48 -5.550 -5.227 -12.097 1.00 0.00 C ATOM 745 CD GLN A 48 -4.776 -5.484 -10.802 1.00 0.00 C ATOM 746 OE1 GLN A 48 -4.162 -4.599 -10.229 1.00 0.00 O ATOM 747 NE2 GLN A 48 -4.841 -6.742 -10.374 1.00 0.00 N ATOM 0 H GLN A 48 -3.819 -3.972 -15.473 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.312 -6.119 -13.568 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.869 -3.987 -12.631 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.256 -3.799 -13.686 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.424 -4.610 -11.886 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.916 -6.171 -12.500 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.373 -7.434 -10.902 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.359 -7.015 -9.518 1.00 0.00 H new ATOM 756 N ILE A 49 -4.968 -7.773 -14.260 1.00 0.00 N ATOM 757 CA ILE A 49 -5.905 -8.802 -14.679 1.00 0.00 C ATOM 758 C ILE A 49 -5.861 -9.962 -13.682 1.00 0.00 C ATOM 759 O ILE A 49 -4.904 -10.097 -12.922 1.00 0.00 O ATOM 760 CB ILE A 49 -5.629 -9.221 -16.124 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.339 -10.037 -16.221 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.610 -8.006 -17.054 1.00 0.00 C ATOM 763 CD1 ILE A 49 -3.110 -9.128 -16.165 1.00 0.00 C ATOM 0 H ILE A 49 -4.200 -8.107 -13.677 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.924 -8.415 -14.673 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.444 -9.866 -16.454 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.299 -10.759 -15.406 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.333 -10.606 -17.151 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.412 -8.332 -18.075 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.576 -7.503 -17.015 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.829 -7.316 -16.735 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.206 -9.733 -16.236 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.141 -8.423 -16.996 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.106 -8.579 -15.223 1.00 0.00 H new ATOM 775 N GLN A 50 -6.910 -10.770 -13.718 1.00 0.00 N ATOM 776 CA GLN A 50 -7.004 -11.915 -12.828 1.00 0.00 C ATOM 777 C GLN A 50 -6.360 -13.144 -13.473 1.00 0.00 C ATOM 778 O GLN A 50 -6.927 -13.739 -14.386 1.00 0.00 O ATOM 779 CB GLN A 50 -8.459 -12.194 -12.446 1.00 0.00 C ATOM 780 CG GLN A 50 -8.757 -11.710 -11.026 1.00 0.00 C ATOM 781 CD GLN A 50 -8.439 -10.222 -10.876 1.00 0.00 C ATOM 782 OE1 GLN A 50 -7.541 -9.821 -10.155 1.00 0.00 O ATOM 783 NE2 GLN A 50 -9.226 -9.427 -11.596 1.00 0.00 N ATOM 0 H GLN A 50 -7.703 -10.655 -14.350 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.460 -11.684 -11.912 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.125 -11.696 -13.151 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.659 -13.263 -12.519 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.806 -11.887 -10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.169 -12.285 -10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -9.960 -9.829 -12.180 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.096 -8.416 -11.564 1.00 0.00 H new ATOM 792 N VAL A 51 -5.183 -13.487 -12.970 1.00 0.00 N ATOM 793 CA VAL A 51 -4.456 -14.635 -13.484 1.00 0.00 C ATOM 794 C VAL A 51 -3.739 -15.339 -12.330 1.00 0.00 C ATOM 795 O VAL A 51 -3.232 -14.687 -11.419 1.00 0.00 O ATOM 796 CB VAL A 51 -3.504 -14.195 -14.599 1.00 0.00 C ATOM 797 CG1 VAL A 51 -4.281 -13.727 -15.831 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.550 -13.105 -14.106 1.00 0.00 C ATOM 0 H VAL A 51 -4.715 -12.990 -12.212 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.144 -15.355 -13.927 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.906 -15.059 -14.889 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.581 -13.420 -16.608 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.900 -14.544 -16.203 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.917 -12.883 -15.562 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.884 -12.810 -14.917 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.125 -12.240 -13.776 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.960 -13.487 -13.273 1.00 0.00 H new ATOM 808 N PRO A 52 -3.721 -16.697 -12.408 1.00 0.00 N ATOM 809 CA PRO A 52 -3.075 -17.497 -11.382 1.00 0.00 C ATOM 810 C PRO A 52 -1.551 -17.434 -11.516 1.00 0.00 C ATOM 811 O PRO A 52 -1.012 -17.622 -12.605 1.00 0.00 O ATOM 812 CB PRO A 52 -3.630 -18.899 -11.568 1.00 0.00 C ATOM 813 CG PRO A 52 -4.207 -18.936 -12.975 1.00 0.00 C ATOM 814 CD PRO A 52 -4.313 -17.503 -13.472 1.00 0.00 C ATOM 0 HA PRO A 52 -3.279 -17.133 -10.375 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.847 -19.648 -11.447 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.397 -19.117 -10.825 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.568 -19.523 -13.635 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.187 -19.413 -12.974 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.780 -17.370 -14.413 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.351 -17.222 -13.651 1.00 0.00 H new ATOM 822 N LEU A 53 -0.901 -17.168 -10.392 1.00 0.00 N ATOM 823 CA LEU A 53 0.548 -17.078 -10.371 1.00 0.00 C ATOM 824 C LEU A 53 1.144 -18.487 -10.432 1.00 0.00 C ATOM 825 O LEU A 53 0.989 -19.272 -9.498 1.00 0.00 O ATOM 826 CB LEU A 53 1.016 -16.266 -9.161 1.00 0.00 C ATOM 827 CG LEU A 53 0.536 -14.815 -9.101 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.086 -14.445 -7.687 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.607 -13.859 -9.630 1.00 0.00 C ATOM 0 H LEU A 53 -1.352 -17.012 -9.490 1.00 0.00 H new ATOM 0 HA LEU A 53 0.909 -16.540 -11.248 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.684 -16.775 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.106 -16.268 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.332 -14.716 -9.752 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.250 -13.408 -7.672 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.733 -15.097 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.921 -14.566 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.239 -12.834 -9.576 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.509 -13.953 -9.026 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.837 -14.108 -10.666 1.00 0.00 H new ATOM 841 N GLY A 54 1.812 -18.764 -11.543 1.00 0.00 N ATOM 842 CA GLY A 54 2.432 -20.063 -11.739 1.00 0.00 C ATOM 843 C GLY A 54 3.743 -20.169 -10.956 1.00 0.00 C ATOM 844 O GLY A 54 3.732 -20.263 -9.730 1.00 0.00 O ATOM 0 H GLY A 54 1.937 -18.111 -12.316 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.748 -20.849 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.624 -20.222 -12.800 1.00 0.00 H new ATOM 848 N ASP A 55 4.841 -20.150 -11.697 1.00 0.00 N ATOM 849 CA ASP A 55 6.157 -20.244 -11.089 1.00 0.00 C ATOM 850 C ASP A 55 6.408 -19.000 -10.234 1.00 0.00 C ATOM 851 O ASP A 55 5.527 -18.155 -10.088 1.00 0.00 O ATOM 852 CB ASP A 55 7.252 -20.316 -12.154 1.00 0.00 C ATOM 853 CG ASP A 55 7.050 -19.388 -13.353 1.00 0.00 C ATOM 854 OD1 ASP A 55 7.459 -18.217 -13.332 1.00 0.00 O ATOM 855 OD2 ASP A 55 6.434 -19.918 -14.356 1.00 0.00 O ATOM 0 H ASP A 55 4.846 -20.071 -12.714 1.00 0.00 H new ATOM 0 HA ASP A 55 6.185 -21.149 -10.483 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.208 -20.079 -11.687 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.320 -21.342 -12.515 1.00 0.00 H new ATOM 861 N ALA A 56 7.616 -18.928 -9.692 1.00 0.00 N ATOM 862 CA ALA A 56 7.995 -17.802 -8.857 1.00 0.00 C ATOM 863 C ALA A 56 9.521 -17.715 -8.786 1.00 0.00 C ATOM 864 O ALA A 56 10.107 -17.884 -7.718 1.00 0.00 O ATOM 865 CB ALA A 56 7.354 -17.952 -7.476 1.00 0.00 C ATOM 0 H ALA A 56 8.344 -19.632 -9.816 1.00 0.00 H new ATOM 0 HA ALA A 56 7.632 -16.868 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.638 -17.107 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.269 -17.978 -7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.697 -18.878 -7.014 1.00 0.00 H new ATOM 871 N ALA A 57 10.121 -17.454 -9.938 1.00 0.00 N ATOM 872 CA ALA A 57 11.568 -17.343 -10.020 1.00 0.00 C ATOM 873 C ALA A 57 11.938 -15.973 -10.593 1.00 0.00 C ATOM 874 O ALA A 57 11.301 -14.970 -10.274 1.00 0.00 O ATOM 875 CB ALA A 57 12.120 -18.496 -10.861 1.00 0.00 C ATOM 0 H ALA A 57 9.632 -17.316 -10.822 1.00 0.00 H new ATOM 0 HA ALA A 57 12.017 -17.418 -9.029 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.205 -18.414 -10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.854 -19.445 -10.396 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.695 -18.451 -11.864 1.00 0.00 H new ATOM 881 N ARG A 58 12.966 -15.976 -11.429 1.00 0.00 N ATOM 882 CA ARG A 58 13.430 -14.746 -12.048 1.00 0.00 C ATOM 883 C ARG A 58 13.728 -14.978 -13.530 1.00 0.00 C ATOM 884 O ARG A 58 14.850 -14.754 -13.984 1.00 0.00 O ATOM 885 CB ARG A 58 14.690 -14.223 -11.356 1.00 0.00 C ATOM 886 CG ARG A 58 14.424 -13.928 -9.879 1.00 0.00 C ATOM 887 CD ARG A 58 15.723 -13.949 -9.073 1.00 0.00 C ATOM 888 NE ARG A 58 15.913 -12.653 -8.383 1.00 0.00 N ATOM 889 CZ ARG A 58 17.088 -12.234 -7.869 1.00 0.00 C ATOM 890 NH1 ARG A 58 18.191 -13.008 -7.961 1.00 0.00 N ATOM 891 NH2 ARG A 58 17.144 -11.058 -7.274 1.00 0.00 N ATOM 0 H ARG A 58 13.490 -16.810 -11.692 1.00 0.00 H new ATOM 0 HA ARG A 58 12.639 -14.003 -11.945 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.490 -14.958 -11.445 1.00 0.00 H new ATOM 0 HB3 ARG A 58 15.033 -13.317 -11.855 1.00 0.00 H new ATOM 0 HG2 ARG A 58 13.946 -12.953 -9.780 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.730 -14.666 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 58 15.694 -14.758 -8.343 1.00 0.00 H new ATOM 0 HD3 ARG A 58 16.567 -14.146 -9.734 1.00 0.00 H new ATOM 0 HE ARG A 58 15.105 -12.038 -8.290 1.00 0.00 H new ATOM 0 HH11 ARG A 58 18.139 -13.917 -8.422 1.00 0.00 H new ATOM 0 HH12 ARG A 58 19.076 -12.684 -7.570 1.00 0.00 H new ATOM 0 HH21 ARG A 58 16.306 -10.480 -7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.025 -10.727 -6.880 1.00 0.00 H new ATOM 904 N PRO A 59 12.678 -15.436 -14.263 1.00 0.00 N ATOM 905 CA PRO A 59 12.816 -15.701 -15.685 1.00 0.00 C ATOM 906 C PRO A 59 12.852 -14.397 -16.485 1.00 0.00 C ATOM 907 O PRO A 59 13.653 -14.251 -17.406 1.00 0.00 O ATOM 908 CB PRO A 59 11.630 -16.582 -16.038 1.00 0.00 C ATOM 909 CG PRO A 59 10.624 -16.397 -14.914 1.00 0.00 C ATOM 910 CD PRO A 59 11.336 -15.712 -13.760 1.00 0.00 C ATOM 0 HA PRO A 59 13.753 -16.201 -15.931 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.201 -16.293 -16.998 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.931 -17.626 -16.125 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.780 -15.796 -15.252 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.223 -17.360 -14.598 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.826 -14.794 -13.469 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.368 -16.352 -12.878 1.00 0.00 H new ATOM 918 N SER A 60 11.972 -13.482 -16.103 1.00 0.00 N ATOM 919 CA SER A 60 11.893 -12.195 -16.773 1.00 0.00 C ATOM 920 C SER A 60 13.184 -11.407 -16.547 1.00 0.00 C ATOM 921 O SER A 60 13.691 -10.763 -17.464 1.00 0.00 O ATOM 922 CB SER A 60 10.688 -11.391 -16.281 1.00 0.00 C ATOM 923 OG SER A 60 10.581 -11.406 -14.859 1.00 0.00 O ATOM 0 H SER A 60 11.308 -13.607 -15.339 1.00 0.00 H new ATOM 0 HA SER A 60 11.766 -12.373 -17.841 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.773 -10.361 -16.627 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.777 -11.800 -16.718 1.00 0.00 H new ATOM 0 HG SER A 60 10.316 -10.517 -14.541 1.00 0.00 H new ATOM 929 N HIS A 61 13.681 -11.484 -15.322 1.00 0.00 N ATOM 930 CA HIS A 61 14.904 -10.786 -14.963 1.00 0.00 C ATOM 931 C HIS A 61 16.098 -11.462 -15.640 1.00 0.00 C ATOM 932 O HIS A 61 17.088 -10.806 -15.961 1.00 0.00 O ATOM 933 CB HIS A 61 15.055 -10.699 -13.443 1.00 0.00 C ATOM 934 CG HIS A 61 13.979 -9.884 -12.765 1.00 0.00 C ATOM 935 ND1 HIS A 61 14.217 -9.119 -11.637 1.00 0.00 N ATOM 936 CD2 HIS A 61 12.658 -9.724 -13.068 1.00 0.00 C ATOM 937 CE1 HIS A 61 13.084 -8.529 -11.285 1.00 0.00 C ATOM 938 NE2 HIS A 61 12.119 -8.907 -12.172 1.00 0.00 N ATOM 0 H HIS A 61 13.258 -12.020 -14.564 1.00 0.00 H new ATOM 0 HA HIS A 61 14.859 -9.758 -15.324 1.00 0.00 H new ATOM 0 HB2 HIS A 61 15.048 -11.707 -13.029 1.00 0.00 H new ATOM 0 HB3 HIS A 61 16.027 -10.265 -13.209 1.00 0.00 H new ATOM 0 HD1 HIS A 61 15.113 -9.025 -11.158 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.139 -10.184 -13.896 1.00 0.00 H new ATOM 0 HE1 HIS A 61 12.948 -7.865 -10.444 1.00 0.00 H new ATOM 946 N LEU A 62 15.965 -12.766 -15.837 1.00 0.00 N ATOM 947 CA LEU A 62 17.021 -13.538 -16.469 1.00 0.00 C ATOM 948 C LEU A 62 16.935 -13.364 -17.987 1.00 0.00 C ATOM 949 O LEU A 62 17.959 -13.270 -18.663 1.00 0.00 O ATOM 950 CB LEU A 62 16.964 -14.997 -16.013 1.00 0.00 C ATOM 951 CG LEU A 62 18.190 -15.851 -16.342 1.00 0.00 C ATOM 952 CD1 LEU A 62 18.628 -16.671 -15.128 1.00 0.00 C ATOM 953 CD2 LEU A 62 17.932 -16.733 -17.566 1.00 0.00 C ATOM 0 H LEU A 62 15.142 -13.307 -15.570 1.00 0.00 H new ATOM 0 HA LEU A 62 17.999 -13.170 -16.160 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.813 -15.014 -14.934 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.089 -15.464 -16.465 1.00 0.00 H new ATOM 0 HG LEU A 62 19.014 -15.183 -16.594 1.00 0.00 H new ATOM 0 HD11 LEU A 62 19.501 -17.269 -15.389 1.00 0.00 H new ATOM 0 HD12 LEU A 62 18.880 -16.000 -14.307 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.815 -17.330 -14.822 1.00 0.00 H new ATOM 0 HD21 LEU A 62 18.819 -17.330 -17.778 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.089 -17.395 -17.367 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.704 -16.104 -18.426 1.00 0.00 H new ATOM 965 N LEU A 63 15.706 -13.326 -18.478 1.00 0.00 N ATOM 966 CA LEU A 63 15.473 -13.163 -19.903 1.00 0.00 C ATOM 967 C LEU A 63 15.596 -11.682 -20.269 1.00 0.00 C ATOM 968 O LEU A 63 16.540 -11.283 -20.948 1.00 0.00 O ATOM 969 CB LEU A 63 14.135 -13.787 -20.302 1.00 0.00 C ATOM 970 CG LEU A 63 14.083 -14.434 -21.688 1.00 0.00 C ATOM 971 CD1 LEU A 63 13.417 -15.810 -21.626 1.00 0.00 C ATOM 972 CD2 LEU A 63 13.399 -13.511 -22.699 1.00 0.00 C ATOM 0 H LEU A 63 14.860 -13.405 -17.914 1.00 0.00 H new ATOM 0 HA LEU A 63 16.230 -13.697 -20.477 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.873 -14.542 -19.560 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.368 -13.014 -20.255 1.00 0.00 H new ATOM 0 HG LEU A 63 15.106 -14.587 -22.032 1.00 0.00 H new ATOM 0 HD11 LEU A 63 13.393 -16.248 -22.624 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.984 -16.459 -20.959 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.399 -15.705 -21.251 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.375 -13.995 -23.675 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.380 -13.304 -22.372 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.954 -12.575 -22.771 1.00 0.00 H new ATOM 984 N THR A 64 14.626 -10.909 -19.804 1.00 0.00 N ATOM 985 CA THR A 64 14.613 -9.482 -20.074 1.00 0.00 C ATOM 986 C THR A 64 15.695 -8.774 -19.255 1.00 0.00 C ATOM 987 O THR A 64 16.586 -8.137 -19.816 1.00 0.00 O ATOM 988 CB THR A 64 13.202 -8.960 -19.795 1.00 0.00 C ATOM 989 OG1 THR A 64 12.545 -9.045 -21.057 1.00 0.00 O ATOM 990 CG2 THR A 64 13.184 -7.466 -19.466 1.00 0.00 C ATOM 0 H THR A 64 13.844 -11.244 -19.242 1.00 0.00 H new ATOM 0 HA THR A 64 14.851 -9.275 -21.117 1.00 0.00 H new ATOM 0 HB THR A 64 12.766 -9.519 -18.967 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.751 -9.614 -20.975 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.159 -7.147 -19.277 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.791 -7.281 -18.580 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.589 -6.903 -20.307 1.00 0.00 H new ATOM 998 N SER A 65 15.582 -8.910 -17.943 1.00 0.00 N ATOM 999 CA SER A 65 16.539 -8.291 -17.041 1.00 0.00 C ATOM 1000 C SER A 65 16.445 -6.768 -17.143 1.00 0.00 C ATOM 1001 O SER A 65 17.450 -6.094 -17.361 1.00 0.00 O ATOM 1002 CB SER A 65 17.964 -8.757 -17.347 1.00 0.00 C ATOM 1003 OG SER A 65 18.588 -7.948 -18.340 1.00 0.00 O ATOM 0 H SER A 65 14.842 -9.440 -17.482 1.00 0.00 H new ATOM 0 HA SER A 65 16.296 -8.596 -16.023 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.558 -8.732 -16.433 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.942 -9.793 -17.685 1.00 0.00 H new ATOM 0 HG SER A 65 18.111 -8.048 -19.190 1.00 0.00 H new ATOM 1009 N GLN A 66 15.228 -6.270 -16.980 1.00 0.00 N ATOM 1010 CA GLN A 66 14.990 -4.838 -17.052 1.00 0.00 C ATOM 1011 C GLN A 66 14.115 -4.387 -15.881 1.00 0.00 C ATOM 1012 O GLN A 66 14.502 -3.505 -15.115 1.00 0.00 O ATOM 1013 CB GLN A 66 14.356 -4.454 -18.390 1.00 0.00 C ATOM 1014 CG GLN A 66 15.401 -4.434 -19.507 1.00 0.00 C ATOM 1015 CD GLN A 66 14.740 -4.567 -20.880 1.00 0.00 C ATOM 1016 OE1 GLN A 66 13.540 -4.751 -21.004 1.00 0.00 O ATOM 1017 NE2 GLN A 66 15.586 -4.463 -21.901 1.00 0.00 N ATOM 0 H GLN A 66 14.397 -6.832 -16.798 1.00 0.00 H new ATOM 0 HA GLN A 66 15.949 -4.326 -16.982 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.566 -5.163 -18.639 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.889 -3.473 -18.307 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.969 -3.505 -19.462 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.110 -5.249 -19.361 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.579 -4.309 -21.727 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.242 -4.537 -22.858 1.00 0.00 H new ATOM 1026 N LEU A 67 12.951 -5.012 -15.777 1.00 0.00 N ATOM 1027 CA LEU A 67 12.018 -4.687 -14.712 1.00 0.00 C ATOM 1028 C LEU A 67 12.628 -5.087 -13.367 1.00 0.00 C ATOM 1029 O LEU A 67 13.300 -6.112 -13.266 1.00 0.00 O ATOM 1030 CB LEU A 67 10.653 -5.322 -14.982 1.00 0.00 C ATOM 1031 CG LEU A 67 9.900 -4.798 -16.206 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.743 -4.948 -17.474 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.534 -5.475 -16.342 1.00 0.00 C ATOM 0 H LEU A 67 12.633 -5.743 -16.414 1.00 0.00 H new ATOM 0 HA LEU A 67 11.841 -3.612 -14.675 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.791 -6.397 -15.098 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.025 -5.174 -14.103 1.00 0.00 H new ATOM 0 HG LEU A 67 9.718 -3.733 -16.064 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.184 -4.568 -18.329 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.668 -4.382 -17.365 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.978 -6.001 -17.633 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.020 -5.084 -17.220 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.670 -6.551 -16.450 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.937 -5.273 -15.452 1.00 0.00 H new ATOM 1045 N PRO A 68 12.364 -4.236 -12.340 1.00 0.00 N ATOM 1046 CA PRO A 68 12.878 -4.490 -11.005 1.00 0.00 C ATOM 1047 C PRO A 68 12.095 -5.613 -10.321 1.00 0.00 C ATOM 1048 O PRO A 68 11.102 -6.100 -10.860 1.00 0.00 O ATOM 1049 CB PRO A 68 12.765 -3.160 -10.279 1.00 0.00 C ATOM 1050 CG PRO A 68 11.769 -2.333 -11.076 1.00 0.00 C ATOM 1051 CD PRO A 68 11.571 -3.012 -12.422 1.00 0.00 C ATOM 0 HA PRO A 68 13.911 -4.838 -11.011 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.423 -3.302 -9.254 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.733 -2.661 -10.225 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.821 -2.259 -10.543 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.139 -1.317 -11.212 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.519 -3.233 -12.603 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.908 -2.376 -13.240 1.00 0.00 H new ATOM 1059 N LEU A 69 12.571 -5.991 -9.143 1.00 0.00 N ATOM 1060 CA LEU A 69 11.927 -7.047 -8.380 1.00 0.00 C ATOM 1061 C LEU A 69 10.799 -6.446 -7.538 1.00 0.00 C ATOM 1062 O LEU A 69 10.057 -7.172 -6.879 1.00 0.00 O ATOM 1063 CB LEU A 69 12.960 -7.821 -7.560 1.00 0.00 C ATOM 1064 CG LEU A 69 12.634 -9.291 -7.287 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.308 -9.428 -6.537 1.00 0.00 C ATOM 1066 CD2 LEU A 69 12.648 -10.106 -8.582 1.00 0.00 C ATOM 0 H LEU A 69 13.395 -5.585 -8.699 1.00 0.00 H new ATOM 0 HA LEU A 69 11.472 -7.778 -9.049 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.917 -7.772 -8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.089 -7.314 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 69 13.412 -9.699 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.100 -10.482 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.373 -8.902 -5.585 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.505 -8.998 -7.136 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.413 -11.147 -8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.905 -9.706 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.636 -10.047 -9.039 1.00 0.00 H new ATOM 1078 N MET A 70 10.706 -5.125 -7.588 1.00 0.00 N ATOM 1079 CA MET A 70 9.682 -4.418 -6.838 1.00 0.00 C ATOM 1080 C MET A 70 9.683 -2.926 -7.178 1.00 0.00 C ATOM 1081 O MET A 70 10.743 -2.321 -7.322 1.00 0.00 O ATOM 1082 CB MET A 70 9.929 -4.601 -5.339 1.00 0.00 C ATOM 1083 CG MET A 70 8.957 -3.752 -4.516 1.00 0.00 C ATOM 1084 SD MET A 70 9.816 -2.991 -3.149 1.00 0.00 S ATOM 1085 CE MET A 70 10.585 -1.618 -3.993 1.00 0.00 C ATOM 0 H MET A 70 11.323 -4.526 -8.136 1.00 0.00 H new ATOM 0 HA MET A 70 8.710 -4.831 -7.108 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.814 -5.652 -5.073 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.955 -4.322 -5.099 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.508 -2.984 -5.147 1.00 0.00 H new ATOM 0 HG3 MET A 70 8.143 -4.374 -4.144 1.00 0.00 H new ATOM 0 HE1 MET A 70 11.316 -1.149 -3.334 1.00 0.00 H new ATOM 0 HE2 MET A 70 11.085 -1.978 -4.892 1.00 0.00 H new ATOM 0 HE3 MET A 70 9.824 -0.888 -4.269 1.00 0.00 H new ATOM 1095 N TRP A 71 8.483 -2.379 -7.298 1.00 0.00 N ATOM 1096 CA TRP A 71 8.332 -0.969 -7.618 1.00 0.00 C ATOM 1097 C TRP A 71 7.832 -0.249 -6.364 1.00 0.00 C ATOM 1098 O TRP A 71 7.217 -0.865 -5.495 1.00 0.00 O ATOM 1099 CB TRP A 71 7.412 -0.776 -8.825 1.00 0.00 C ATOM 1100 CG TRP A 71 8.137 -0.813 -10.172 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.258 -0.169 -10.524 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.742 -1.563 -11.340 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.613 -0.448 -11.829 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.662 -1.322 -12.341 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.644 -2.417 -11.545 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.577 -1.897 -13.614 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.573 -2.983 -12.824 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.492 -2.751 -13.841 1.00 0.00 C ATOM 0 H TRP A 71 7.606 -2.886 -7.180 1.00 0.00 H new ATOM 0 HA TRP A 71 9.289 -0.536 -7.909 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.647 -1.553 -8.814 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.897 0.180 -8.727 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.814 0.486 -9.869 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.424 -0.080 -12.326 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.913 -2.620 -10.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.310 -1.693 -14.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.747 -3.646 -13.035 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.369 -3.228 -14.802 1.00 0.00 H new ATOM 1119 N GLN A 72 8.115 1.043 -6.309 1.00 0.00 N ATOM 1120 CA GLN A 72 7.702 1.853 -5.176 1.00 0.00 C ATOM 1121 C GLN A 72 7.166 3.203 -5.657 1.00 0.00 C ATOM 1122 O GLN A 72 7.939 4.120 -5.931 1.00 0.00 O ATOM 1123 CB GLN A 72 8.853 2.041 -4.187 1.00 0.00 C ATOM 1124 CG GLN A 72 8.360 2.686 -2.889 1.00 0.00 C ATOM 1125 CD GLN A 72 7.191 1.899 -2.295 1.00 0.00 C ATOM 1126 OE1 GLN A 72 6.179 2.450 -1.894 1.00 0.00 O ATOM 1127 NE2 GLN A 72 7.386 0.584 -2.260 1.00 0.00 N ATOM 0 H GLN A 72 8.626 1.550 -7.032 1.00 0.00 H new ATOM 0 HA GLN A 72 6.901 1.331 -4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.310 1.076 -3.967 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.626 2.665 -4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.176 2.731 -2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 72 8.050 3.713 -3.084 1.00 0.00 H new ATOM 0 HE21 GLN A 72 8.257 0.188 -2.613 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.664 -0.029 -1.881 1.00 0.00 H new ATOM 1136 N LEU A 73 5.846 3.284 -5.744 1.00 0.00 N ATOM 1137 CA LEU A 73 5.198 4.507 -6.186 1.00 0.00 C ATOM 1138 C LEU A 73 5.766 5.692 -5.403 1.00 0.00 C ATOM 1139 O LEU A 73 5.548 5.806 -4.198 1.00 0.00 O ATOM 1140 CB LEU A 73 3.677 4.374 -6.085 1.00 0.00 C ATOM 1141 CG LEU A 73 2.879 5.670 -6.246 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.330 6.441 -7.488 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.375 5.389 -6.262 1.00 0.00 C ATOM 0 H LEU A 73 5.208 2.522 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 73 5.409 4.691 -7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.342 3.668 -6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.434 3.939 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 73 3.080 6.304 -5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.747 7.358 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.387 6.691 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.178 5.825 -8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.831 6.326 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.137 4.727 -7.094 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.084 4.913 -5.325 1.00 0.00 H new ATOM 1155 N TYR A 74 6.485 6.545 -6.119 1.00 0.00 N ATOM 1156 CA TYR A 74 7.085 7.717 -5.505 1.00 0.00 C ATOM 1157 C TYR A 74 6.217 8.957 -5.727 1.00 0.00 C ATOM 1158 O TYR A 74 5.139 8.868 -6.313 1.00 0.00 O ATOM 1159 CB TYR A 74 8.429 7.919 -6.208 1.00 0.00 C ATOM 1160 CG TYR A 74 9.639 7.831 -5.274 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.644 6.921 -4.236 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.724 8.659 -5.472 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.782 6.838 -3.358 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.862 8.576 -4.593 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.835 7.669 -3.579 1.00 0.00 C ATOM 1166 OH TYR A 74 12.910 7.591 -2.751 1.00 0.00 O ATOM 0 H TYR A 74 6.665 6.447 -7.118 1.00 0.00 H new ATOM 0 HA TYR A 74 7.192 7.575 -4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.533 7.170 -6.993 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.429 8.894 -6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.795 6.272 -4.083 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.720 9.369 -6.286 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.799 6.131 -2.542 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.718 9.219 -4.736 1.00 0.00 H new ATOM 0 HH TYR A 74 13.646 7.137 -3.212 1.00 0.00 H new ATOM 1176 N PRO A 75 6.731 10.114 -5.231 1.00 0.00 N ATOM 1177 CA PRO A 75 6.014 11.371 -5.369 1.00 0.00 C ATOM 1178 C PRO A 75 6.107 11.901 -6.802 1.00 0.00 C ATOM 1179 O PRO A 75 6.879 11.387 -7.610 1.00 0.00 O ATOM 1180 CB PRO A 75 6.652 12.301 -4.350 1.00 0.00 C ATOM 1181 CG PRO A 75 7.998 11.684 -4.008 1.00 0.00 C ATOM 1182 CD PRO A 75 8.005 10.257 -4.532 1.00 0.00 C ATOM 0 HA PRO A 75 4.945 11.268 -5.181 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.775 13.304 -4.759 1.00 0.00 H new ATOM 0 HB3 PRO A 75 6.028 12.394 -3.461 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.807 12.260 -4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.160 11.695 -2.930 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.847 10.085 -5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.094 9.537 -3.719 1.00 0.00 H new ATOM 1190 N GLU A 76 5.308 12.923 -7.073 1.00 0.00 N ATOM 1191 CA GLU A 76 5.291 13.529 -8.393 1.00 0.00 C ATOM 1192 C GLU A 76 4.386 12.730 -9.332 1.00 0.00 C ATOM 1193 O GLU A 76 3.262 13.143 -9.616 1.00 0.00 O ATOM 1194 CB GLU A 76 6.707 13.644 -8.962 1.00 0.00 C ATOM 1195 CG GLU A 76 6.961 15.046 -9.520 1.00 0.00 C ATOM 1196 CD GLU A 76 7.907 15.834 -8.611 1.00 0.00 C ATOM 1197 OE1 GLU A 76 8.129 15.440 -7.457 1.00 0.00 O ATOM 1198 OE2 GLU A 76 8.420 16.890 -9.144 1.00 0.00 O ATOM 0 H GLU A 76 4.668 13.346 -6.401 1.00 0.00 H new ATOM 0 HA GLU A 76 4.888 14.538 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.435 13.422 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.847 12.904 -9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 76 7.389 14.972 -10.520 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.016 15.580 -9.617 1.00 0.00 H new ATOM 1206 N GLU A 77 4.908 11.601 -9.787 1.00 0.00 N ATOM 1207 CA GLU A 77 4.161 10.740 -10.689 1.00 0.00 C ATOM 1208 C GLU A 77 5.097 9.732 -11.357 1.00 0.00 C ATOM 1209 O GLU A 77 5.165 9.660 -12.583 1.00 0.00 O ATOM 1210 CB GLU A 77 3.408 11.565 -11.735 1.00 0.00 C ATOM 1211 CG GLU A 77 2.907 10.677 -12.876 1.00 0.00 C ATOM 1212 CD GLU A 77 1.478 11.052 -13.276 1.00 0.00 C ATOM 1213 OE1 GLU A 77 1.273 11.681 -14.324 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.562 10.664 -12.454 1.00 0.00 O ATOM 0 H GLU A 77 5.840 11.262 -9.548 1.00 0.00 H new ATOM 0 HA GLU A 77 3.422 10.190 -10.106 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.564 12.071 -11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.063 12.340 -12.133 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.568 10.778 -13.737 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.940 9.632 -12.569 1.00 0.00 H new ATOM 1222 N ARG A 78 5.794 8.976 -10.521 1.00 0.00 N ATOM 1223 CA ARG A 78 6.723 7.974 -11.016 1.00 0.00 C ATOM 1224 C ARG A 78 6.871 6.840 -9.999 1.00 0.00 C ATOM 1225 O ARG A 78 6.468 6.979 -8.845 1.00 0.00 O ATOM 1226 CB ARG A 78 8.099 8.585 -11.291 1.00 0.00 C ATOM 1227 CG ARG A 78 7.973 9.867 -12.117 1.00 0.00 C ATOM 1228 CD ARG A 78 9.343 10.335 -12.614 1.00 0.00 C ATOM 1229 NE ARG A 78 10.010 11.146 -11.571 1.00 0.00 N ATOM 1230 CZ ARG A 78 11.042 11.983 -11.808 1.00 0.00 C ATOM 1231 NH1 ARG A 78 11.534 12.128 -13.056 1.00 0.00 N ATOM 1232 NH2 ARG A 78 11.562 12.660 -10.800 1.00 0.00 N ATOM 0 H ARG A 78 5.734 9.037 -9.505 1.00 0.00 H new ATOM 0 HA ARG A 78 6.320 7.581 -11.949 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.599 8.803 -10.348 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.721 7.865 -11.823 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.314 9.693 -12.967 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.514 10.650 -11.513 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.961 9.473 -12.867 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.227 10.923 -13.525 1.00 0.00 H new ATOM 0 HE ARG A 78 9.668 11.067 -10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.126 11.603 -13.829 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.314 12.763 -13.226 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.183 12.546 -9.860 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.342 13.297 -10.962 1.00 0.00 H new ATOM 1245 N TYR A 79 7.451 5.744 -10.464 1.00 0.00 N ATOM 1246 CA TYR A 79 7.657 4.586 -9.610 1.00 0.00 C ATOM 1247 C TYR A 79 9.149 4.326 -9.390 1.00 0.00 C ATOM 1248 O TYR A 79 9.911 4.215 -10.348 1.00 0.00 O ATOM 1249 CB TYR A 79 7.048 3.398 -10.356 1.00 0.00 C ATOM 1250 CG TYR A 79 5.592 3.110 -9.985 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.751 4.147 -9.635 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.120 1.813 -10.001 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.381 3.876 -9.286 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.748 1.543 -9.652 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.947 2.587 -9.312 1.00 0.00 C ATOM 1256 OH TYR A 79 1.653 2.331 -8.982 1.00 0.00 O ATOM 0 H TYR A 79 7.785 5.633 -11.421 1.00 0.00 H new ATOM 0 HA TYR A 79 7.201 4.743 -8.633 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.109 3.586 -11.428 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.646 2.510 -10.153 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.121 5.162 -9.623 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.778 1.002 -10.275 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.713 4.678 -9.010 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.365 0.533 -9.660 1.00 0.00 H new ATOM 0 HH TYR A 79 1.592 1.451 -8.554 1.00 0.00 H new ATOM 1266 N MET A 80 9.521 4.236 -8.121 1.00 0.00 N ATOM 1267 CA MET A 80 10.907 3.989 -7.763 1.00 0.00 C ATOM 1268 C MET A 80 11.132 2.514 -7.426 1.00 0.00 C ATOM 1269 O MET A 80 10.494 1.976 -6.523 1.00 0.00 O ATOM 1270 CB MET A 80 11.285 4.853 -6.559 1.00 0.00 C ATOM 1271 CG MET A 80 12.758 4.664 -6.189 1.00 0.00 C ATOM 1272 SD MET A 80 13.449 6.212 -5.631 1.00 0.00 S ATOM 1273 CE MET A 80 15.081 6.099 -6.347 1.00 0.00 C ATOM 0 H MET A 80 8.886 4.330 -7.328 1.00 0.00 H new ATOM 0 HA MET A 80 11.535 4.246 -8.616 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.095 5.902 -6.786 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.656 4.592 -5.708 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.851 3.911 -5.406 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.314 4.298 -7.052 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.652 6.992 -6.094 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.591 5.219 -5.954 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.998 6.016 -7.431 1.00 0.00 H new ATOM 1283 N ASP A 81 12.043 1.902 -8.168 1.00 0.00 N ATOM 1284 CA ASP A 81 12.361 0.500 -7.959 1.00 0.00 C ATOM 1285 C ASP A 81 13.202 0.357 -6.689 1.00 0.00 C ATOM 1286 O ASP A 81 13.333 1.304 -5.916 1.00 0.00 O ATOM 1287 CB ASP A 81 13.169 -0.063 -9.128 1.00 0.00 C ATOM 1288 CG ASP A 81 14.622 0.413 -9.198 1.00 0.00 C ATOM 1289 OD1 ASP A 81 15.446 -0.154 -9.931 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.900 1.426 -8.448 1.00 0.00 O ATOM 0 H ASP A 81 12.571 2.352 -8.915 1.00 0.00 H new ATOM 0 HA ASP A 81 11.423 -0.049 -7.873 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.161 -1.151 -9.065 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.669 0.206 -10.059 1.00 0.00 H new ATOM 1296 N ASN A 82 13.751 -0.836 -6.512 1.00 0.00 N ATOM 1297 CA ASN A 82 14.577 -1.115 -5.349 1.00 0.00 C ATOM 1298 C ASN A 82 15.999 -1.444 -5.807 1.00 0.00 C ATOM 1299 O ASN A 82 16.877 -1.696 -4.982 1.00 0.00 O ATOM 1300 CB ASN A 82 14.041 -2.318 -4.570 1.00 0.00 C ATOM 1301 CG ASN A 82 14.016 -2.030 -3.067 1.00 0.00 C ATOM 1302 OD1 ASN A 82 14.033 -0.892 -2.626 1.00 0.00 O ATOM 1303 ND2 ASN A 82 13.974 -3.122 -2.309 1.00 0.00 N ATOM 0 H ASN A 82 13.640 -1.620 -7.154 1.00 0.00 H new ATOM 0 HA ASN A 82 14.565 -0.234 -4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.036 -2.560 -4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 82 14.664 -3.190 -4.767 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.954 -3.037 -1.293 1.00 0.00 H new ATOM 0 HD22 ASN A 82 13.962 -4.045 -2.744 1.00 0.00 H new ATOM 1310 N ASN A 83 16.183 -1.432 -7.119 1.00 0.00 N ATOM 1311 CA ASN A 83 17.484 -1.726 -7.695 1.00 0.00 C ATOM 1312 C ASN A 83 18.358 -0.472 -7.637 1.00 0.00 C ATOM 1313 O ASN A 83 19.492 -0.522 -7.162 1.00 0.00 O ATOM 1314 CB ASN A 83 17.355 -2.146 -9.161 1.00 0.00 C ATOM 1315 CG ASN A 83 18.500 -3.075 -9.567 1.00 0.00 C ATOM 1316 OD1 ASN A 83 19.640 -2.668 -9.721 1.00 0.00 O ATOM 1317 ND2 ASN A 83 18.135 -4.343 -9.735 1.00 0.00 N ATOM 0 H ASN A 83 15.453 -1.223 -7.800 1.00 0.00 H new ATOM 0 HA ASN A 83 17.929 -2.541 -7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.401 -2.649 -9.316 1.00 0.00 H new ATOM 0 HB3 ASN A 83 17.356 -1.262 -9.798 1.00 0.00 H new ATOM 0 HD21 ASN A 83 18.827 -5.041 -10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 83 17.163 -4.618 -9.590 1.00 0.00 H new ATOM 1324 N SER A 84 17.797 0.624 -8.128 1.00 0.00 N ATOM 1325 CA SER A 84 18.512 1.890 -8.139 1.00 0.00 C ATOM 1326 C SER A 84 18.109 2.708 -9.367 1.00 0.00 C ATOM 1327 O SER A 84 18.954 3.333 -10.006 1.00 0.00 O ATOM 1328 CB SER A 84 20.026 1.668 -8.122 1.00 0.00 C ATOM 1329 OG SER A 84 20.736 2.801 -8.614 1.00 0.00 O ATOM 0 H SER A 84 16.856 0.662 -8.521 1.00 0.00 H new ATOM 0 HA SER A 84 18.243 2.442 -7.239 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.349 1.451 -7.104 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.271 0.795 -8.727 1.00 0.00 H new ATOM 0 HG SER A 84 20.432 3.008 -9.522 1.00 0.00 H new ATOM 1335 N ARG A 85 16.817 2.677 -9.661 1.00 0.00 N ATOM 1336 CA ARG A 85 16.291 3.410 -10.801 1.00 0.00 C ATOM 1337 C ARG A 85 14.864 3.881 -10.517 1.00 0.00 C ATOM 1338 O ARG A 85 14.193 3.344 -9.635 1.00 0.00 O ATOM 1339 CB ARG A 85 16.294 2.543 -12.061 1.00 0.00 C ATOM 1340 CG ARG A 85 17.722 2.180 -12.474 1.00 0.00 C ATOM 1341 CD ARG A 85 17.805 1.907 -13.977 1.00 0.00 C ATOM 1342 NE ARG A 85 18.116 0.481 -14.217 1.00 0.00 N ATOM 1343 CZ ARG A 85 19.342 -0.063 -14.066 1.00 0.00 C ATOM 1344 NH1 ARG A 85 20.385 0.698 -13.672 1.00 0.00 N ATOM 1345 NH2 ARG A 85 19.505 -1.350 -14.307 1.00 0.00 N ATOM 0 H ARG A 85 16.119 2.156 -9.130 1.00 0.00 H new ATOM 0 HA ARG A 85 16.935 4.274 -10.966 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.721 1.633 -11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 85 15.801 3.075 -12.874 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.398 2.993 -12.210 1.00 0.00 H new ATOM 0 HG3 ARG A 85 18.051 1.300 -11.922 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.860 2.167 -14.455 1.00 0.00 H new ATOM 0 HD3 ARG A 85 18.573 2.536 -14.427 1.00 0.00 H new ATOM 0 HE ARG A 85 17.356 -0.130 -14.516 1.00 0.00 H new ATOM 0 HH11 ARG A 85 20.250 1.692 -13.486 1.00 0.00 H new ATOM 0 HH12 ARG A 85 21.308 0.279 -13.560 1.00 0.00 H new ATOM 0 HH21 ARG A 85 18.711 -1.918 -14.603 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.425 -1.777 -14.198 1.00 0.00 H new ATOM 1358 N LEU A 86 14.441 4.879 -11.279 1.00 0.00 N ATOM 1359 CA LEU A 86 13.105 5.426 -11.121 1.00 0.00 C ATOM 1360 C LEU A 86 12.368 5.360 -12.460 1.00 0.00 C ATOM 1361 O LEU A 86 12.799 5.968 -13.440 1.00 0.00 O ATOM 1362 CB LEU A 86 13.171 6.834 -10.524 1.00 0.00 C ATOM 1363 CG LEU A 86 11.989 7.246 -9.645 1.00 0.00 C ATOM 1364 CD1 LEU A 86 12.188 8.654 -9.081 1.00 0.00 C ATOM 1365 CD2 LEU A 86 10.667 7.115 -10.405 1.00 0.00 C ATOM 0 H LEU A 86 15.000 5.323 -12.007 1.00 0.00 H new ATOM 0 HA LEU A 86 12.531 4.829 -10.412 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.083 6.914 -9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.257 7.550 -11.341 1.00 0.00 H new ATOM 0 HG LEU A 86 11.942 6.563 -8.797 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.333 8.921 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.096 8.680 -8.479 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.277 9.366 -9.902 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.843 7.414 -9.757 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.688 7.758 -11.285 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.527 6.080 -10.715 1.00 0.00 H new ATOM 1377 N TRP A 87 11.272 4.617 -12.461 1.00 0.00 N ATOM 1378 CA TRP A 87 10.472 4.463 -13.664 1.00 0.00 C ATOM 1379 C TRP A 87 9.403 5.558 -13.666 1.00 0.00 C ATOM 1380 O TRP A 87 8.802 5.844 -12.631 1.00 0.00 O ATOM 1381 CB TRP A 87 9.885 3.054 -13.754 1.00 0.00 C ATOM 1382 CG TRP A 87 10.934 1.941 -13.779 1.00 0.00 C ATOM 1383 CD1 TRP A 87 11.993 1.788 -12.971 1.00 0.00 C ATOM 1384 CD2 TRP A 87 10.984 0.825 -14.692 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.719 0.660 -13.296 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.086 0.056 -14.376 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.127 0.477 -15.751 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.431 -1.110 -15.071 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.487 -0.690 -16.434 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.592 -1.476 -16.129 1.00 0.00 C ATOM 0 H TRP A 87 10.918 4.114 -11.647 1.00 0.00 H new ATOM 0 HA TRP A 87 11.089 4.579 -14.555 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.221 2.894 -12.905 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.274 2.983 -14.654 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.246 2.463 -12.167 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.564 0.330 -12.830 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.260 1.064 -16.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.299 -1.695 -14.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 9.861 -1.002 -17.257 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.802 -2.365 -16.706 1.00 0.00 H new ATOM 1401 N GLN A 88 9.200 6.141 -14.838 1.00 0.00 N ATOM 1402 CA GLN A 88 8.215 7.197 -14.988 1.00 0.00 C ATOM 1403 C GLN A 88 6.887 6.619 -15.479 1.00 0.00 C ATOM 1404 O GLN A 88 6.844 5.929 -16.496 1.00 0.00 O ATOM 1405 CB GLN A 88 8.720 8.289 -15.934 1.00 0.00 C ATOM 1406 CG GLN A 88 7.564 9.152 -16.442 1.00 0.00 C ATOM 1407 CD GLN A 88 7.985 10.619 -16.556 1.00 0.00 C ATOM 1408 OE1 GLN A 88 9.117 10.945 -16.869 1.00 0.00 O ATOM 1409 NE2 GLN A 88 7.010 11.483 -16.286 1.00 0.00 N ATOM 0 H GLN A 88 9.702 5.901 -15.693 1.00 0.00 H new ATOM 0 HA GLN A 88 8.052 7.654 -14.012 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.446 8.916 -15.417 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.237 7.833 -16.779 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.234 8.788 -17.415 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.715 9.065 -15.764 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.083 11.142 -16.030 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.189 12.486 -16.335 1.00 0.00 H new ATOM 1418 N ILE A 89 5.835 6.919 -14.731 1.00 0.00 N ATOM 1419 CA ILE A 89 4.508 6.438 -15.078 1.00 0.00 C ATOM 1420 C ILE A 89 4.073 7.065 -16.404 1.00 0.00 C ATOM 1421 O ILE A 89 3.510 8.158 -16.422 1.00 0.00 O ATOM 1422 CB ILE A 89 3.530 6.689 -13.928 1.00 0.00 C ATOM 1423 CG1 ILE A 89 3.998 5.995 -12.648 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.109 6.275 -14.317 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.566 4.527 -12.629 1.00 0.00 C ATOM 0 H ILE A 89 5.875 7.489 -13.886 1.00 0.00 H new ATOM 0 HA ILE A 89 4.520 5.358 -15.225 1.00 0.00 H new ATOM 0 HB ILE A 89 3.510 7.760 -13.725 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.083 6.059 -12.572 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.586 6.510 -11.780 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.434 6.464 -13.482 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.786 6.853 -15.183 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.094 5.213 -14.563 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.912 4.058 -11.708 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.479 4.467 -12.681 1.00 0.00 H new ATOM 0 HD13 ILE A 89 3.999 4.009 -13.485 1.00 0.00 H new ATOM 1437 N GLN A 90 4.350 6.346 -17.481 1.00 0.00 N ATOM 1438 CA GLN A 90 3.995 6.817 -18.809 1.00 0.00 C ATOM 1439 C GLN A 90 2.507 7.169 -18.866 1.00 0.00 C ATOM 1440 O GLN A 90 2.133 8.216 -19.394 1.00 0.00 O ATOM 1441 CB GLN A 90 4.355 5.781 -19.874 1.00 0.00 C ATOM 1442 CG GLN A 90 5.077 6.434 -21.053 1.00 0.00 C ATOM 1443 CD GLN A 90 4.099 7.222 -21.928 1.00 0.00 C ATOM 1444 OE1 GLN A 90 3.211 6.674 -22.559 1.00 0.00 O ATOM 1445 NE2 GLN A 90 4.312 8.535 -21.929 1.00 0.00 N ATOM 0 H GLN A 90 4.817 5.439 -17.461 1.00 0.00 H new ATOM 0 HA GLN A 90 4.570 7.718 -19.019 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.989 5.010 -19.437 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.450 5.287 -20.226 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.857 7.100 -20.683 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.570 5.668 -21.652 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.074 8.928 -21.377 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.713 9.148 -22.481 1.00 0.00 H new ATOM 1454 N HIS A 91 1.698 6.275 -18.317 1.00 0.00 N ATOM 1455 CA HIS A 91 0.260 6.477 -18.299 1.00 0.00 C ATOM 1456 C HIS A 91 -0.400 5.400 -17.437 1.00 0.00 C ATOM 1457 O HIS A 91 0.014 4.242 -17.460 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.299 6.522 -19.723 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.921 5.224 -20.180 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -0.624 4.639 -21.398 1.00 0.00 N ATOM 1461 CD2 HIS A 91 -1.824 4.404 -19.568 1.00 0.00 C ATOM 1462 CE1 HIS A 91 -1.324 3.519 -21.506 1.00 0.00 C ATOM 1463 NE2 HIS A 91 -2.067 3.375 -20.370 1.00 0.00 N ATOM 0 H HIS A 91 2.012 5.408 -17.881 1.00 0.00 H new ATOM 0 HA HIS A 91 0.031 7.443 -17.849 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.047 7.313 -19.784 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.504 6.790 -20.409 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.266 4.565 -18.596 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.309 2.840 -22.345 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.704 2.604 -20.170 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.415 5.820 -16.696 1.00 0.00 N ATOM 1472 CA HIS A 92 -2.137 4.905 -15.827 1.00 0.00 C ATOM 1473 C HIS A 92 -3.639 5.176 -15.931 1.00 0.00 C ATOM 1474 O HIS A 92 -4.110 6.241 -15.533 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.615 4.995 -14.392 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.389 4.155 -13.404 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -3.048 4.696 -12.314 1.00 0.00 N ATOM 1478 CD2 HIS A 92 -2.603 2.809 -13.354 1.00 0.00 C ATOM 1479 CE1 HIS A 92 -3.628 3.711 -11.644 1.00 0.00 C ATOM 1480 NE2 HIS A 92 -3.351 2.542 -12.290 1.00 0.00 N ATOM 0 H HIS A 92 -1.755 6.782 -16.679 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.966 3.878 -16.150 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.570 4.686 -14.376 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.644 6.036 -14.070 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.228 2.083 -14.060 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.217 3.815 -10.745 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -3.666 1.615 -12.003 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.349 4.194 -16.467 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.788 4.313 -16.627 1.00 0.00 C ATOM 1490 C LEU A 93 -6.423 2.923 -16.545 1.00 0.00 C ATOM 1491 O LEU A 93 -5.752 1.950 -16.202 1.00 0.00 O ATOM 1492 CB LEU A 93 -6.125 5.067 -17.914 1.00 0.00 C ATOM 1493 CG LEU A 93 -5.079 4.990 -19.029 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.716 4.549 -20.348 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -4.329 6.316 -19.170 1.00 0.00 C ATOM 0 H LEU A 93 -3.954 3.313 -16.796 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.212 4.907 -15.817 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.069 4.682 -18.301 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.286 6.116 -17.666 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.344 4.232 -18.757 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.952 4.502 -21.124 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.167 3.564 -20.223 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.484 5.266 -20.639 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.592 6.234 -19.969 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.036 7.110 -19.409 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.824 6.550 -18.233 1.00 0.00 H new ATOM 1507 N MET A 94 -7.707 2.873 -16.866 1.00 0.00 N ATOM 1508 CA MET A 94 -8.439 1.619 -16.833 1.00 0.00 C ATOM 1509 C MET A 94 -9.210 1.399 -18.136 1.00 0.00 C ATOM 1510 O MET A 94 -9.923 2.290 -18.596 1.00 0.00 O ATOM 1511 CB MET A 94 -9.417 1.628 -15.656 1.00 0.00 C ATOM 1512 CG MET A 94 -10.566 0.645 -15.890 1.00 0.00 C ATOM 1513 SD MET A 94 -11.185 0.047 -14.327 1.00 0.00 S ATOM 1514 CE MET A 94 -10.154 -1.395 -14.116 1.00 0.00 C ATOM 0 H MET A 94 -8.260 3.682 -17.150 1.00 0.00 H new ATOM 0 HA MET A 94 -7.723 0.806 -16.715 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.890 1.365 -14.739 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.816 2.633 -15.518 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.367 1.134 -16.445 1.00 0.00 H new ATOM 0 HG3 MET A 94 -10.222 -0.191 -16.498 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.775 -2.291 -14.126 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.430 -1.446 -14.929 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.627 -1.329 -13.164 1.00 0.00 H new ATOM 1524 N VAL A 95 -9.040 0.210 -18.694 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.711 -0.137 -19.936 1.00 0.00 C ATOM 1526 C VAL A 95 -10.296 -1.546 -19.817 1.00 0.00 C ATOM 1527 O VAL A 95 -9.669 -2.437 -19.247 1.00 0.00 O ATOM 1528 CB VAL A 95 -8.746 0.013 -21.112 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -9.327 -0.613 -22.381 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -8.382 1.480 -21.341 1.00 0.00 C ATOM 0 H VAL A 95 -8.447 -0.526 -18.309 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.540 0.544 -20.126 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.830 -0.523 -20.863 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.621 -0.493 -23.202 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.510 -1.674 -22.212 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.265 -0.119 -22.634 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.694 1.557 -22.183 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.286 2.050 -21.557 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.906 1.881 -20.446 1.00 0.00 H new ATOM 1540 N ARG A 96 -11.493 -1.702 -20.364 1.00 0.00 N ATOM 1541 CA ARG A 96 -12.170 -2.988 -20.326 1.00 0.00 C ATOM 1542 C ARG A 96 -12.121 -3.571 -18.912 1.00 0.00 C ATOM 1543 O ARG A 96 -11.931 -4.775 -18.741 1.00 0.00 O ATOM 1544 CB ARG A 96 -11.530 -3.977 -21.302 1.00 0.00 C ATOM 1545 CG ARG A 96 -12.079 -3.783 -22.717 1.00 0.00 C ATOM 1546 CD ARG A 96 -11.116 -4.353 -23.761 1.00 0.00 C ATOM 1547 NE ARG A 96 -11.858 -4.716 -24.989 1.00 0.00 N ATOM 1548 CZ ARG A 96 -12.605 -5.834 -25.120 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -12.714 -6.708 -24.097 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -13.225 -6.059 -26.262 1.00 0.00 N ATOM 0 H ARG A 96 -12.011 -0.960 -20.835 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.207 -2.826 -20.620 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.448 -3.842 -21.306 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.722 -4.997 -20.970 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -13.049 -4.273 -22.805 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -12.240 -2.722 -22.906 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -10.345 -3.619 -23.996 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.609 -5.231 -23.360 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.802 -4.082 -25.786 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.230 -6.526 -23.217 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.280 -7.550 -24.204 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -13.137 -5.394 -27.030 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.793 -6.898 -26.377 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.295 -2.693 -17.937 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.273 -3.106 -16.544 1.00 0.00 C ATOM 1565 C GLY A 97 -10.887 -3.618 -16.145 1.00 0.00 C ATOM 1566 O GLY A 97 -10.760 -4.426 -15.227 1.00 0.00 O ATOM 0 H GLY A 97 -12.452 -1.696 -18.083 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.551 -2.266 -15.908 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.014 -3.888 -16.381 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.883 -3.126 -16.856 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.511 -3.522 -16.588 1.00 0.00 C ATOM 1572 C VAL A 98 -7.639 -2.272 -16.458 1.00 0.00 C ATOM 1573 O VAL A 98 -7.731 -1.358 -17.276 1.00 0.00 O ATOM 1574 CB VAL A 98 -8.022 -4.482 -17.675 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.512 -4.349 -17.884 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.405 -5.925 -17.346 1.00 0.00 C ATOM 0 H VAL A 98 -9.992 -2.456 -17.618 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.447 -4.062 -15.643 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.515 -4.210 -18.608 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.190 -5.042 -18.661 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.275 -3.329 -18.186 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.994 -4.581 -16.954 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.045 -6.586 -18.135 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.954 -6.214 -16.397 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.489 -6.006 -17.272 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.814 -2.271 -15.421 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.927 -1.147 -15.172 1.00 0.00 C ATOM 1588 C GLN A 99 -4.580 -1.371 -15.862 1.00 0.00 C ATOM 1589 O GLN A 99 -3.842 -2.289 -15.508 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.743 -0.916 -13.671 1.00 0.00 C ATOM 1591 CG GLN A 99 -6.916 -0.125 -13.090 1.00 0.00 C ATOM 1592 CD GLN A 99 -6.856 -0.099 -11.562 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -5.967 0.480 -10.959 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -7.848 -0.758 -10.970 1.00 0.00 N ATOM 0 H GLN A 99 -6.741 -3.030 -14.744 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.383 -0.250 -15.591 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.658 -1.875 -13.160 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.813 -0.376 -13.494 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.898 0.894 -13.476 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.856 -0.572 -13.413 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.561 -1.221 -11.534 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -7.896 -0.800 -9.952 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.301 -0.517 -16.835 1.00 0.00 N ATOM 1604 CA GLU A 100 -3.055 -0.609 -17.578 1.00 0.00 C ATOM 1605 C GLU A 100 -2.098 0.505 -17.151 1.00 0.00 C ATOM 1606 O GLU A 100 -2.297 1.667 -17.500 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.311 -0.563 -19.086 1.00 0.00 C ATOM 1608 CG GLU A 100 -1.996 -0.621 -19.867 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.256 -0.792 -21.366 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -2.750 -1.846 -21.793 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -1.928 0.221 -22.094 1.00 0.00 O ATOM 0 H GLU A 100 -4.916 0.242 -17.127 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.590 -1.568 -17.350 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.948 -1.399 -19.376 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.849 0.351 -19.340 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.426 0.292 -19.695 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.389 -1.450 -19.503 1.00 0.00 H new ATOM 1619 N LEU A 101 -1.078 0.111 -16.401 1.00 0.00 N ATOM 1620 CA LEU A 101 -0.091 1.062 -15.921 1.00 0.00 C ATOM 1621 C LEU A 101 1.173 0.953 -16.777 1.00 0.00 C ATOM 1622 O LEU A 101 1.768 -0.119 -16.878 1.00 0.00 O ATOM 1623 CB LEU A 101 0.162 0.864 -14.425 1.00 0.00 C ATOM 1624 CG LEU A 101 0.527 2.122 -13.635 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.519 1.846 -12.130 1.00 0.00 C ATOM 1626 CD2 LEU A 101 1.865 2.696 -14.105 1.00 0.00 C ATOM 0 H LEU A 101 -0.915 -0.854 -16.115 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.462 2.081 -16.026 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.732 0.426 -13.980 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.966 0.138 -14.306 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.233 2.879 -13.828 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.782 2.757 -11.592 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.475 1.518 -11.825 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.245 1.066 -11.899 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.101 3.590 -13.527 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.650 1.954 -13.961 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.799 2.954 -15.162 1.00 0.00 H new ATOM 1638 N LEU A 102 1.545 2.078 -17.372 1.00 0.00 N ATOM 1639 CA LEU A 102 2.727 2.122 -18.215 1.00 0.00 C ATOM 1640 C LEU A 102 3.901 2.687 -17.413 1.00 0.00 C ATOM 1641 O LEU A 102 3.810 3.783 -16.862 1.00 0.00 O ATOM 1642 CB LEU A 102 2.437 2.892 -19.505 1.00 0.00 C ATOM 1643 CG LEU A 102 1.211 2.436 -20.298 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.409 2.668 -21.797 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.868 0.978 -19.985 1.00 0.00 C ATOM 0 H LEU A 102 1.048 2.965 -17.287 1.00 0.00 H new ATOM 0 HA LEU A 102 3.009 1.116 -18.527 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.312 3.946 -19.255 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.311 2.819 -20.152 1.00 0.00 H new ATOM 0 HG LEU A 102 0.360 3.042 -19.988 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.523 2.335 -22.337 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.569 3.730 -21.983 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.276 2.104 -22.141 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.007 0.678 -20.561 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.712 0.341 -20.249 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.654 0.875 -18.921 1.00 0.00 H new ATOM 1657 N LEU A 103 4.976 1.913 -17.371 1.00 0.00 N ATOM 1658 CA LEU A 103 6.165 2.323 -16.645 1.00 0.00 C ATOM 1659 C LEU A 103 7.307 2.556 -17.636 1.00 0.00 C ATOM 1660 O LEU A 103 7.575 1.712 -18.490 1.00 0.00 O ATOM 1661 CB LEU A 103 6.499 1.310 -15.549 1.00 0.00 C ATOM 1662 CG LEU A 103 5.649 1.389 -14.280 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.529 0.018 -13.612 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.195 2.448 -13.319 1.00 0.00 C ATOM 0 H LEU A 103 5.048 1.004 -17.828 1.00 0.00 H new ATOM 0 HA LEU A 103 5.991 3.268 -16.131 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.401 0.308 -15.966 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.545 1.438 -15.270 1.00 0.00 H new ATOM 0 HG LEU A 103 4.643 1.698 -14.563 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.920 0.104 -12.712 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.060 -0.683 -14.302 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.522 -0.345 -13.345 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.572 2.484 -12.425 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.217 2.193 -13.039 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.185 3.422 -13.807 1.00 0.00 H new ATOM 1676 N LYS A 104 7.949 3.705 -17.491 1.00 0.00 N ATOM 1677 CA LYS A 104 9.057 4.060 -18.362 1.00 0.00 C ATOM 1678 C LYS A 104 10.320 4.256 -17.520 1.00 0.00 C ATOM 1679 O LYS A 104 10.327 5.051 -16.583 1.00 0.00 O ATOM 1680 CB LYS A 104 8.696 5.274 -19.222 1.00 0.00 C ATOM 1681 CG LYS A 104 9.755 5.517 -20.298 1.00 0.00 C ATOM 1682 CD LYS A 104 9.422 4.748 -21.578 1.00 0.00 C ATOM 1683 CE LYS A 104 8.213 5.360 -22.287 1.00 0.00 C ATOM 1684 NZ LYS A 104 8.414 5.353 -23.754 1.00 0.00 N ATOM 0 H LYS A 104 7.723 4.403 -16.783 1.00 0.00 H new ATOM 0 HA LYS A 104 9.264 3.252 -19.064 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.725 5.116 -19.691 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.605 6.158 -18.590 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.819 6.583 -20.516 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.733 5.208 -19.928 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.283 4.757 -22.246 1.00 0.00 H new ATOM 0 HD3 LYS A 104 9.217 3.705 -21.337 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.313 4.799 -22.035 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.059 6.382 -21.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.217 6.300 -24.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.397 5.091 -23.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.769 4.663 -24.189 1.00 0.00 H new ATOM 1697 N LEU A 105 11.357 3.517 -17.887 1.00 0.00 N ATOM 1698 CA LEU A 105 12.622 3.599 -17.177 1.00 0.00 C ATOM 1699 C LEU A 105 13.606 4.438 -17.994 1.00 0.00 C ATOM 1700 O LEU A 105 13.708 4.275 -19.209 1.00 0.00 O ATOM 1701 CB LEU A 105 13.139 2.199 -16.840 1.00 0.00 C ATOM 1702 CG LEU A 105 14.425 2.140 -16.013 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.251 2.863 -14.676 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.891 0.695 -15.827 1.00 0.00 C ATOM 0 H LEU A 105 11.347 2.859 -18.666 1.00 0.00 H new ATOM 0 HA LEU A 105 12.490 4.103 -16.220 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.358 1.665 -16.299 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.305 1.660 -17.773 1.00 0.00 H new ATOM 0 HG LEU A 105 15.208 2.663 -16.562 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.180 2.806 -14.108 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.000 3.908 -14.857 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.449 2.391 -14.109 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.807 0.681 -15.236 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.117 0.127 -15.311 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.082 0.246 -16.802 1.00 0.00 H new ATOM 1716 N LEU A 106 14.307 5.319 -17.294 1.00 0.00 N ATOM 1717 CA LEU A 106 15.281 6.183 -17.938 1.00 0.00 C ATOM 1718 C LEU A 106 16.624 6.058 -17.217 1.00 0.00 C ATOM 1719 O LEU A 106 16.679 5.617 -16.070 1.00 0.00 O ATOM 1720 CB LEU A 106 14.755 7.618 -18.015 1.00 0.00 C ATOM 1721 CG LEU A 106 13.953 8.103 -16.806 1.00 0.00 C ATOM 1722 CD1 LEU A 106 14.823 8.947 -15.872 1.00 0.00 C ATOM 1723 CD2 LEU A 106 12.693 8.851 -17.249 1.00 0.00 C ATOM 0 H LEU A 106 14.219 5.453 -16.287 1.00 0.00 H new ATOM 0 HA LEU A 106 15.444 5.871 -18.970 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.603 8.288 -18.156 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.128 7.707 -18.902 1.00 0.00 H new ATOM 0 HG LEU A 106 13.628 7.230 -16.240 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.228 9.279 -15.021 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.662 8.349 -15.517 1.00 0.00 H new ATOM 0 HD13 LEU A 106 15.200 9.816 -16.412 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.141 9.185 -16.371 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.975 9.715 -17.851 1.00 0.00 H new ATOM 0 HD23 LEU A 106 12.065 8.186 -17.841 1.00 0.00 H new ATOM 1735 N PRO A 107 17.704 6.463 -17.939 1.00 0.00 N ATOM 1736 CA PRO A 107 19.044 6.400 -17.380 1.00 0.00 C ATOM 1737 C PRO A 107 19.264 7.516 -16.357 1.00 0.00 C ATOM 1738 O PRO A 107 19.969 8.485 -16.633 1.00 0.00 O ATOM 1739 CB PRO A 107 19.974 6.500 -18.578 1.00 0.00 C ATOM 1740 CG PRO A 107 19.138 7.081 -19.708 1.00 0.00 C ATOM 1741 CD PRO A 107 17.677 6.991 -19.299 1.00 0.00 C ATOM 0 HA PRO A 107 19.227 5.479 -16.826 1.00 0.00 H new ATOM 0 HB2 PRO A 107 20.829 7.139 -18.356 1.00 0.00 H new ATOM 0 HB3 PRO A 107 20.369 5.521 -18.848 1.00 0.00 H new ATOM 0 HG2 PRO A 107 19.419 8.117 -19.897 1.00 0.00 H new ATOM 0 HG3 PRO A 107 19.310 6.530 -20.633 1.00 0.00 H new ATOM 0 HD2 PRO A 107 17.195 7.968 -19.335 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.119 6.335 -19.967 1.00 0.00 H new ATOM 1749 N ASP A 108 18.649 7.342 -15.197 1.00 0.00 N ATOM 1750 CA ASP A 108 18.769 8.322 -14.131 1.00 0.00 C ATOM 1751 C ASP A 108 18.718 9.729 -14.729 1.00 0.00 C ATOM 1752 O ASP A 108 19.750 10.289 -15.098 1.00 0.00 O ATOM 1753 CB ASP A 108 20.099 8.171 -13.391 1.00 0.00 C ATOM 1754 CG ASP A 108 20.336 9.186 -12.272 1.00 0.00 C ATOM 1755 OD1 ASP A 108 19.389 9.644 -11.613 1.00 0.00 O ATOM 1756 OD2 ASP A 108 21.569 9.513 -12.082 1.00 0.00 O ATOM 0 H ASP A 108 18.066 6.536 -14.972 1.00 0.00 H new ATOM 0 HA ASP A 108 17.948 8.162 -13.433 1.00 0.00 H new ATOM 0 HB2 ASP A 108 20.150 7.168 -12.968 1.00 0.00 H new ATOM 0 HB3 ASP A 108 20.911 8.254 -14.114 1.00 0.00 H new ATOM 1762 N ASP A 109 17.506 10.261 -14.809 1.00 0.00 N ATOM 1763 CA ASP A 109 17.308 11.592 -15.356 1.00 0.00 C ATOM 1764 C ASP A 109 18.446 12.503 -14.894 1.00 0.00 C ATOM 1765 O ASP A 109 18.633 12.711 -13.696 1.00 0.00 O ATOM 1766 CB ASP A 109 15.990 12.197 -14.869 1.00 0.00 C ATOM 1767 CG ASP A 109 15.691 11.984 -13.384 1.00 0.00 C ATOM 1768 OD1 ASP A 109 16.439 12.447 -12.510 1.00 0.00 O ATOM 1769 OD2 ASP A 109 14.626 11.301 -13.134 1.00 0.00 O ATOM 0 H ASP A 109 16.652 9.794 -14.504 1.00 0.00 H new ATOM 0 HA ASP A 109 17.287 11.510 -16.443 1.00 0.00 H new ATOM 0 HB2 ASP A 109 16.002 13.268 -15.072 1.00 0.00 H new ATOM 0 HB3 ASP A 109 15.174 11.771 -15.453 1.00 0.00 H new ATOM 1775 N ARG A 110 19.178 13.023 -15.869 1.00 0.00 N ATOM 1776 CA ARG A 110 20.293 13.908 -15.577 1.00 0.00 C ATOM 1777 C ARG A 110 19.978 14.774 -14.355 1.00 0.00 C ATOM 1778 O ARG A 110 18.922 15.400 -14.290 1.00 0.00 O ATOM 1779 CB ARG A 110 20.604 14.814 -16.770 1.00 0.00 C ATOM 1780 CG ARG A 110 21.266 14.025 -17.901 1.00 0.00 C ATOM 1781 CD ARG A 110 20.694 14.430 -19.260 1.00 0.00 C ATOM 1782 NE ARG A 110 20.549 13.238 -20.125 1.00 0.00 N ATOM 1783 CZ ARG A 110 21.567 12.667 -20.804 1.00 0.00 C ATOM 1784 NH1 ARG A 110 22.815 13.176 -20.723 1.00 0.00 N ATOM 1785 NH2 ARG A 110 21.324 11.604 -21.547 1.00 0.00 N ATOM 0 H ARG A 110 19.021 12.848 -16.862 1.00 0.00 H new ATOM 0 HA ARG A 110 21.164 13.287 -15.371 1.00 0.00 H new ATOM 0 HB2 ARG A 110 19.684 15.273 -17.132 1.00 0.00 H new ATOM 0 HB3 ARG A 110 21.261 15.624 -16.454 1.00 0.00 H new ATOM 0 HG2 ARG A 110 22.342 14.199 -17.889 1.00 0.00 H new ATOM 0 HG3 ARG A 110 21.114 12.957 -17.742 1.00 0.00 H new ATOM 0 HD2 ARG A 110 19.726 14.913 -19.127 1.00 0.00 H new ATOM 0 HD3 ARG A 110 21.350 15.158 -19.737 1.00 0.00 H new ATOM 0 HE ARG A 110 19.622 12.822 -20.214 1.00 0.00 H new ATOM 0 HH11 ARG A 110 22.994 13.998 -20.146 1.00 0.00 H new ATOM 0 HH12 ARG A 110 23.579 12.739 -21.239 1.00 0.00 H new ATOM 0 HH21 ARG A 110 20.378 11.226 -21.602 1.00 0.00 H new ATOM 0 HH22 ARG A 110 22.082 11.161 -22.066 1.00 0.00 H new ATOM 1798 N SER A 111 20.914 14.781 -13.418 1.00 0.00 N ATOM 1799 CA SER A 111 20.750 15.560 -12.202 1.00 0.00 C ATOM 1800 C SER A 111 20.448 17.018 -12.552 1.00 0.00 C ATOM 1801 O SER A 111 21.140 17.620 -13.373 1.00 0.00 O ATOM 1802 CB SER A 111 21.997 15.474 -11.321 1.00 0.00 C ATOM 1803 OG SER A 111 21.699 14.962 -10.025 1.00 0.00 O ATOM 0 H SER A 111 21.789 14.260 -13.476 1.00 0.00 H new ATOM 0 HA SER A 111 19.912 15.146 -11.641 1.00 0.00 H new ATOM 0 HB2 SER A 111 22.738 14.835 -11.802 1.00 0.00 H new ATOM 0 HB3 SER A 111 22.443 16.464 -11.226 1.00 0.00 H new ATOM 0 HG SER A 111 22.521 14.921 -9.493 1.00 0.00 H new ATOM 1809 N PRO A 112 19.385 17.559 -11.896 1.00 0.00 N ATOM 1810 CA PRO A 112 18.983 18.935 -12.130 1.00 0.00 C ATOM 1811 C PRO A 112 19.943 19.910 -11.448 1.00 0.00 C ATOM 1812 O PRO A 112 20.409 19.655 -10.339 1.00 0.00 O ATOM 1813 CB PRO A 112 17.563 19.027 -11.593 1.00 0.00 C ATOM 1814 CG PRO A 112 17.392 17.835 -10.664 1.00 0.00 C ATOM 1815 CD PRO A 112 18.543 16.876 -10.920 1.00 0.00 C ATOM 0 HA PRO A 112 19.015 19.209 -13.185 1.00 0.00 H new ATOM 0 HB2 PRO A 112 17.407 19.964 -11.059 1.00 0.00 H new ATOM 0 HB3 PRO A 112 16.836 18.998 -12.404 1.00 0.00 H new ATOM 0 HG2 PRO A 112 17.390 18.159 -9.623 1.00 0.00 H new ATOM 0 HG3 PRO A 112 16.437 17.343 -10.847 1.00 0.00 H new ATOM 0 HD2 PRO A 112 19.093 16.663 -10.003 1.00 0.00 H new ATOM 0 HD3 PRO A 112 18.185 15.921 -11.305 1.00 0.00 H new ATOM 1823 N GLY A 113 20.211 21.009 -12.140 1.00 0.00 N ATOM 1824 CA GLY A 113 21.109 22.023 -11.615 1.00 0.00 C ATOM 1825 C GLY A 113 20.494 23.419 -11.744 1.00 0.00 C ATOM 1826 O GLY A 113 19.920 23.755 -12.778 1.00 0.00 O ATOM 0 H GLY A 113 19.822 21.218 -13.059 1.00 0.00 H new ATOM 0 HA2 GLY A 113 21.328 21.813 -10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 113 22.057 21.988 -12.152 1.00 0.00 H new ATOM 1830 N ILE A 114 20.636 24.193 -10.678 1.00 0.00 N ATOM 1831 CA ILE A 114 20.102 25.545 -10.660 1.00 0.00 C ATOM 1832 C ILE A 114 20.766 26.366 -11.767 1.00 0.00 C ATOM 1833 O ILE A 114 21.886 26.846 -11.601 1.00 0.00 O ATOM 1834 CB ILE A 114 20.247 26.159 -9.267 1.00 0.00 C ATOM 1835 CG1 ILE A 114 19.431 27.448 -9.147 1.00 0.00 C ATOM 1836 CG2 ILE A 114 21.721 26.379 -8.915 1.00 0.00 C ATOM 1837 CD1 ILE A 114 18.543 27.421 -7.902 1.00 0.00 C ATOM 0 H ILE A 114 21.112 23.910 -9.821 1.00 0.00 H new ATOM 0 HA ILE A 114 19.032 25.535 -10.869 1.00 0.00 H new ATOM 0 HB ILE A 114 19.844 25.454 -8.540 1.00 0.00 H new ATOM 0 HG12 ILE A 114 20.103 28.305 -9.100 1.00 0.00 H new ATOM 0 HG13 ILE A 114 18.813 27.576 -10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 114 21.796 26.817 -7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 114 22.246 25.424 -8.932 1.00 0.00 H new ATOM 0 HG23 ILE A 114 22.172 27.054 -9.643 1.00 0.00 H new ATOM 0 HD11 ILE A 114 17.974 28.349 -7.841 1.00 0.00 H new ATOM 0 HD12 ILE A 114 17.856 26.577 -7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 114 19.166 27.318 -7.013 1.00 0.00 H new ATOM 1849 N HIS A 115 20.047 26.503 -12.871 1.00 0.00 N ATOM 1850 CA HIS A 115 20.553 27.259 -14.004 1.00 0.00 C ATOM 1851 C HIS A 115 20.168 28.731 -13.852 1.00 0.00 C ATOM 1852 O HIS A 115 18.990 29.079 -13.915 1.00 0.00 O ATOM 1853 CB HIS A 115 20.066 26.652 -15.322 1.00 0.00 C ATOM 1854 CG HIS A 115 18.607 26.261 -15.317 1.00 0.00 C ATOM 1855 ND1 HIS A 115 17.583 27.187 -15.221 1.00 0.00 N ATOM 1856 CD2 HIS A 115 18.012 25.037 -15.397 1.00 0.00 C ATOM 1857 CE1 HIS A 115 16.429 26.538 -15.242 1.00 0.00 C ATOM 1858 NE2 HIS A 115 16.697 25.205 -15.350 1.00 0.00 N ATOM 0 H HIS A 115 19.118 26.103 -13.005 1.00 0.00 H new ATOM 0 HA HIS A 115 21.641 27.205 -14.025 1.00 0.00 H new ATOM 0 HB2 HIS A 115 20.237 27.369 -16.125 1.00 0.00 H new ATOM 0 HB3 HIS A 115 20.667 25.771 -15.548 1.00 0.00 H new ATOM 0 HD1 HIS A 115 17.698 28.198 -15.147 1.00 0.00 H new ATOM 0 HD2 HIS A 115 18.525 24.090 -15.484 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.448 26.986 -15.184 1.00 0.00 H new ATOM 1866 N ARG A 116 21.186 29.557 -13.655 1.00 0.00 N ATOM 1867 CA ARG A 116 20.969 30.986 -13.494 1.00 0.00 C ATOM 1868 C ARG A 116 20.173 31.260 -12.216 1.00 0.00 C ATOM 1869 O ARG A 116 18.950 31.135 -12.204 1.00 0.00 O ATOM 1870 CB ARG A 116 20.215 31.567 -14.691 1.00 0.00 C ATOM 1871 CG ARG A 116 20.791 32.926 -15.094 1.00 0.00 C ATOM 1872 CD ARG A 116 20.107 34.060 -14.327 1.00 0.00 C ATOM 1873 NE ARG A 116 20.127 35.301 -15.133 1.00 0.00 N ATOM 1874 CZ ARG A 116 21.235 36.038 -15.360 1.00 0.00 C ATOM 1875 NH1 ARG A 116 22.425 35.664 -14.841 1.00 0.00 N ATOM 1876 NH2 ARG A 116 21.139 37.130 -16.095 1.00 0.00 N ATOM 0 H ARG A 116 22.162 29.265 -13.603 1.00 0.00 H new ATOM 0 HA ARG A 116 21.946 31.465 -13.428 1.00 0.00 H new ATOM 0 HB2 ARG A 116 20.276 30.878 -15.533 1.00 0.00 H new ATOM 0 HB3 ARG A 116 19.159 31.675 -14.443 1.00 0.00 H new ATOM 0 HG2 ARG A 116 21.863 32.944 -14.897 1.00 0.00 H new ATOM 0 HG3 ARG A 116 20.661 33.077 -16.166 1.00 0.00 H new ATOM 0 HD2 ARG A 116 19.078 33.784 -14.095 1.00 0.00 H new ATOM 0 HD3 ARG A 116 20.615 34.226 -13.377 1.00 0.00 H new ATOM 0 HE ARG A 116 19.249 35.619 -15.543 1.00 0.00 H new ATOM 0 HH11 ARG A 116 22.491 34.819 -14.273 1.00 0.00 H new ATOM 0 HH12 ARG A 116 23.258 36.226 -15.017 1.00 0.00 H new ATOM 0 HH21 ARG A 116 20.237 37.406 -16.482 1.00 0.00 H new ATOM 0 HH22 ARG A 116 21.967 37.698 -16.276 1.00 0.00 H new ATOM 1889 N ASP A 117 20.899 31.631 -11.172 1.00 0.00 N ATOM 1890 CA ASP A 117 20.277 31.925 -9.893 1.00 0.00 C ATOM 1891 C ASP A 117 19.567 30.672 -9.376 1.00 0.00 C ATOM 1892 O ASP A 117 19.551 30.415 -8.173 1.00 0.00 O ATOM 1893 CB ASP A 117 19.234 33.036 -10.031 1.00 0.00 C ATOM 1894 CG ASP A 117 19.593 34.350 -9.334 1.00 0.00 C ATOM 1895 OD1 ASP A 117 19.405 34.500 -8.117 1.00 0.00 O ATOM 1896 OD2 ASP A 117 20.092 35.257 -10.104 1.00 0.00 O ATOM 0 H ASP A 117 21.914 31.735 -11.186 1.00 0.00 H new ATOM 0 HA ASP A 117 21.058 32.246 -9.204 1.00 0.00 H new ATOM 0 HB2 ASP A 117 19.076 33.236 -11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 117 18.287 32.676 -9.630 1.00 0.00 H new TER 1902 ASP A 117