USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 825 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 53 LYS NZ :NH3+ 156:sc= -1.47! (180deg=-0.942) USER MOD Set 1.2: A 55 ASN : amide:sc= -1.48! C(o=-2.9!,f=-19!) USER MOD Set 2.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 45 THR OG1 : rot 120:sc= -0.118 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -90:sc= -1.46! USER MOD Single : A 5 TYR OH : rot -176:sc= -4.68! USER MOD Single : A 14 SER OG : rot -48:sc= -0.083! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot -130:sc= -3.06! USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0.00403 (180deg=0) USER MOD Single : A 26 TYR OH : rot 130:sc= -0.0713 USER MOD Single : A 27 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 31 HIS : no HD1:sc= -4.96! C(o=-5!,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ -114:sc= 0.196 (180deg=0) USER MOD Single : A 35 THR OG1 : rot -140:sc= -2.86! USER MOD Single : A 36 LYS NZ :NH3+ -131:sc= 0.594 (180deg=-1.02) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.23 X(o=-0.23,f=-0.0053) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -80:sc= -4.16! USER MOD Single : A 58 HIS : no HE2:sc= -16.2! C(o=-16!,f=-21!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -116:sc= -0.166 (180deg=-1.49) USER MOD Single : A 64 LYS NZ :NH3+ -148:sc= -0.287 (180deg=-1.6!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -141:sc= -6.51! (180deg=-9.82!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= -0.155 (180deg=-0.155) USER MOD Single : A 82 GLN : amide:sc= -8.6! C(o=-8.6!,f=-14!) USER MOD Single : A 87 GLN : amide:sc= -11.9! C(o=-12!,f=-15!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.960 -19.825 5.938 1.00 0.00 N ATOM 2 CA MET A 1 -6.437 -19.039 4.764 1.00 0.00 C ATOM 3 C MET A 1 -5.665 -17.725 4.656 1.00 0.00 C ATOM 4 O MET A 1 -5.964 -16.768 5.343 1.00 0.00 O ATOM 5 CB MET A 1 -7.914 -18.754 5.045 1.00 0.00 C ATOM 6 CG MET A 1 -8.688 -18.708 3.727 1.00 0.00 C ATOM 7 SD MET A 1 -9.804 -20.130 3.633 1.00 0.00 S ATOM 8 CE MET A 1 -11.353 -19.214 3.820 1.00 0.00 C ATOM 0 H1 MET A 1 -6.493 -20.716 5.999 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.947 -20.035 5.827 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.106 -19.273 6.808 1.00 0.00 H new ATOM 0 HA MET A 1 -6.291 -19.579 3.828 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.327 -19.527 5.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.018 -17.806 5.572 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.257 -17.781 3.659 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.995 -18.719 2.885 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.192 -19.909 3.790 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.351 -18.687 4.774 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.450 -18.493 3.008 1.00 0.00 H new ATOM 20 N LYS A 2 -4.689 -17.651 3.792 1.00 0.00 N ATOM 21 CA LYS A 2 -3.943 -16.366 3.662 1.00 0.00 C ATOM 22 C LYS A 2 -4.746 -15.417 2.781 1.00 0.00 C ATOM 23 O LYS A 2 -4.428 -15.194 1.629 1.00 0.00 O ATOM 24 CB LYS A 2 -2.585 -16.665 3.011 1.00 0.00 C ATOM 25 CG LYS A 2 -2.183 -18.129 3.223 1.00 0.00 C ATOM 26 CD LYS A 2 -0.661 -18.232 3.331 1.00 0.00 C ATOM 27 CE LYS A 2 -0.234 -19.693 3.165 1.00 0.00 C ATOM 28 NZ LYS A 2 1.069 -19.633 2.448 1.00 0.00 N ATOM 0 H LYS A 2 -4.380 -18.408 3.182 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.791 -15.904 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -2.634 -16.449 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -1.823 -16.010 3.434 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.649 -18.517 4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -2.541 -18.739 2.394 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.189 -17.615 2.566 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.328 -17.852 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.131 -20.186 4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.972 -20.258 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.427 -20.598 2.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.938 -19.164 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.754 -19.095 3.017 1.00 0.00 H new ATOM 42 N THR A 3 -5.779 -14.851 3.327 1.00 0.00 N ATOM 43 CA THR A 3 -6.609 -13.903 2.545 1.00 0.00 C ATOM 44 C THR A 3 -6.603 -12.530 3.223 1.00 0.00 C ATOM 45 O THR A 3 -5.781 -11.688 2.933 1.00 0.00 O ATOM 46 CB THR A 3 -8.008 -14.511 2.562 1.00 0.00 C ATOM 47 OG1 THR A 3 -8.438 -14.665 3.908 1.00 0.00 O ATOM 48 CG2 THR A 3 -7.978 -15.876 1.877 1.00 0.00 C ATOM 0 H THR A 3 -6.086 -15.005 4.287 1.00 0.00 H new ATOM 0 HA THR A 3 -6.243 -13.757 1.529 1.00 0.00 H new ATOM 0 HB THR A 3 -8.698 -13.855 2.032 1.00 0.00 H new ATOM 0 HG1 THR A 3 -8.170 -15.548 4.238 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.977 -16.311 1.889 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.646 -15.758 0.846 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.290 -16.534 2.407 1.00 0.00 H new ATOM 56 N ALA A 4 -7.499 -12.308 4.144 1.00 0.00 N ATOM 57 CA ALA A 4 -7.528 -10.999 4.861 1.00 0.00 C ATOM 58 C ALA A 4 -6.696 -11.117 6.144 1.00 0.00 C ATOM 59 O ALA A 4 -6.127 -10.162 6.634 1.00 0.00 O ATOM 60 CB ALA A 4 -9.001 -10.771 5.181 1.00 0.00 C ATOM 0 H ALA A 4 -8.214 -12.976 4.433 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.114 -10.175 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -9.116 -9.826 5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -9.574 -10.739 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -9.368 -11.585 5.807 1.00 0.00 H new ATOM 66 N TYR A 5 -6.614 -12.312 6.658 1.00 0.00 N ATOM 67 CA TYR A 5 -5.812 -12.608 7.886 1.00 0.00 C ATOM 68 C TYR A 5 -4.532 -11.754 7.979 1.00 0.00 C ATOM 69 O TYR A 5 -3.988 -11.562 9.049 1.00 0.00 O ATOM 70 CB TYR A 5 -5.401 -14.074 7.683 1.00 0.00 C ATOM 71 CG TYR A 5 -4.337 -14.115 6.600 1.00 0.00 C ATOM 72 CD1 TYR A 5 -4.606 -13.554 5.347 1.00 0.00 C ATOM 73 CD2 TYR A 5 -3.073 -14.653 6.862 1.00 0.00 C ATOM 74 CE1 TYR A 5 -3.631 -13.519 4.358 1.00 0.00 C ATOM 75 CE2 TYR A 5 -2.088 -14.635 5.864 1.00 0.00 C ATOM 76 CZ TYR A 5 -2.363 -14.065 4.613 1.00 0.00 C ATOM 77 OH TYR A 5 -1.384 -14.041 3.640 1.00 0.00 O ATOM 0 H TYR A 5 -7.086 -13.127 6.265 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.382 -12.402 8.792 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.016 -14.494 8.612 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.263 -14.675 7.394 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.584 -13.143 5.146 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.856 -15.081 7.830 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.847 -13.074 3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -1.115 -15.061 6.060 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.590 -14.517 3.963 1.00 0.00 H new ATOM 87 N ASP A 6 -4.010 -11.297 6.870 1.00 0.00 N ATOM 88 CA ASP A 6 -2.737 -10.532 6.911 1.00 0.00 C ATOM 89 C ASP A 6 -2.550 -9.731 5.624 1.00 0.00 C ATOM 90 O ASP A 6 -2.419 -8.526 5.646 1.00 0.00 O ATOM 91 CB ASP A 6 -1.662 -11.620 7.001 1.00 0.00 C ATOM 92 CG ASP A 6 -0.281 -10.969 7.095 1.00 0.00 C ATOM 93 OD1 ASP A 6 -0.192 -9.892 7.660 1.00 0.00 O ATOM 94 OD2 ASP A 6 0.665 -11.561 6.600 1.00 0.00 O ATOM 0 H ASP A 6 -4.413 -11.422 5.941 1.00 0.00 H new ATOM 0 HA ASP A 6 -2.704 -9.820 7.736 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -1.839 -12.249 7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.711 -12.268 6.126 1.00 0.00 H new ATOM 99 N VAL A 7 -2.526 -10.408 4.506 1.00 0.00 N ATOM 100 CA VAL A 7 -2.336 -9.714 3.198 1.00 0.00 C ATOM 101 C VAL A 7 -3.098 -8.386 3.182 1.00 0.00 C ATOM 102 O VAL A 7 -2.629 -7.377 3.670 1.00 0.00 O ATOM 103 CB VAL A 7 -2.913 -10.675 2.153 1.00 0.00 C ATOM 104 CG1 VAL A 7 -2.814 -10.060 0.765 1.00 0.00 C ATOM 105 CG2 VAL A 7 -2.134 -11.980 2.155 1.00 0.00 C ATOM 0 H VAL A 7 -2.631 -11.421 4.443 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.289 -9.479 3.006 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.957 -10.864 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.227 -10.751 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.375 -9.126 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.769 -9.861 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.553 -12.655 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.089 -11.780 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.201 -12.442 3.140 1.00 0.00 H new ATOM 115 N ILE A 8 -4.269 -8.379 2.623 1.00 0.00 N ATOM 116 CA ILE A 8 -5.061 -7.130 2.561 1.00 0.00 C ATOM 117 C ILE A 8 -5.871 -6.955 3.850 1.00 0.00 C ATOM 118 O ILE A 8 -6.872 -7.610 4.060 1.00 0.00 O ATOM 119 CB ILE A 8 -5.970 -7.363 1.365 1.00 0.00 C ATOM 120 CG1 ILE A 8 -5.115 -7.646 0.135 1.00 0.00 C ATOM 121 CG2 ILE A 8 -6.810 -6.114 1.101 1.00 0.00 C ATOM 122 CD1 ILE A 8 -6.023 -8.043 -1.026 1.00 0.00 C ATOM 0 H ILE A 8 -4.715 -9.194 2.202 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.457 -6.228 2.463 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.626 -8.208 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.532 -6.763 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.405 -8.445 0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.459 -6.287 0.243 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.419 -5.893 1.978 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.152 -5.270 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.417 -8.247 -1.909 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.586 -8.937 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.715 -7.229 -1.241 1.00 0.00 H new ATOM 134 N LEU A 9 -5.440 -6.079 4.719 1.00 0.00 N ATOM 135 CA LEU A 9 -6.179 -5.870 5.997 1.00 0.00 C ATOM 136 C LEU A 9 -7.296 -4.835 5.814 1.00 0.00 C ATOM 137 O LEU A 9 -8.395 -5.161 5.412 1.00 0.00 O ATOM 138 CB LEU A 9 -5.126 -5.360 6.984 1.00 0.00 C ATOM 139 CG LEU A 9 -4.100 -6.462 7.253 1.00 0.00 C ATOM 140 CD1 LEU A 9 -2.934 -5.888 8.059 1.00 0.00 C ATOM 141 CD2 LEU A 9 -4.762 -7.589 8.049 1.00 0.00 C ATOM 0 H LEU A 9 -4.609 -5.500 4.599 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.659 -6.784 6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.630 -4.478 6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.603 -5.057 7.916 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.729 -6.853 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.203 -6.673 8.251 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.463 -5.083 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.304 -5.498 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.032 -8.376 8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.132 -7.197 8.996 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.594 -7.999 7.477 1.00 0.00 H new ATOM 153 N ALA A 10 -7.028 -3.591 6.114 1.00 0.00 N ATOM 154 CA ALA A 10 -8.081 -2.546 5.962 1.00 0.00 C ATOM 155 C ALA A 10 -7.767 -1.640 4.769 1.00 0.00 C ATOM 156 O ALA A 10 -6.621 -1.463 4.405 1.00 0.00 O ATOM 157 CB ALA A 10 -8.031 -1.746 7.264 1.00 0.00 C ATOM 0 H ALA A 10 -6.128 -3.255 6.457 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.065 -2.978 5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.779 -0.953 7.233 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.238 -2.407 8.105 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.041 -1.306 7.383 1.00 0.00 H new ATOM 163 N PRO A 11 -8.806 -1.091 4.199 1.00 0.00 N ATOM 164 CA PRO A 11 -8.649 -0.186 3.035 1.00 0.00 C ATOM 165 C PRO A 11 -8.078 1.161 3.486 1.00 0.00 C ATOM 166 O PRO A 11 -7.909 1.411 4.663 1.00 0.00 O ATOM 167 CB PRO A 11 -10.074 -0.027 2.512 1.00 0.00 C ATOM 168 CG PRO A 11 -10.953 -0.299 3.692 1.00 0.00 C ATOM 169 CD PRO A 11 -10.211 -1.260 4.585 1.00 0.00 C ATOM 0 HA PRO A 11 -7.965 -0.570 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.240 0.976 2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.276 -0.725 1.700 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.180 0.625 4.224 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -11.904 -0.725 3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.366 -1.027 5.638 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.546 -2.286 4.433 1.00 0.00 H new ATOM 177 N VAL A 12 -7.777 2.032 2.562 1.00 0.00 N ATOM 178 CA VAL A 12 -7.216 3.360 2.949 1.00 0.00 C ATOM 179 C VAL A 12 -8.189 4.479 2.571 1.00 0.00 C ATOM 180 O VAL A 12 -8.773 4.473 1.505 1.00 0.00 O ATOM 181 CB VAL A 12 -5.912 3.498 2.157 1.00 0.00 C ATOM 182 CG1 VAL A 12 -5.153 2.169 2.177 1.00 0.00 C ATOM 183 CG2 VAL A 12 -6.228 3.883 0.708 1.00 0.00 C ATOM 0 H VAL A 12 -7.894 1.884 1.560 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.048 3.432 4.024 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.296 4.273 2.613 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.226 2.271 1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.923 1.897 3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.769 1.391 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.299 3.981 0.147 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.847 3.110 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.763 4.833 0.692 1.00 0.00 H new ATOM 193 N LEU A 13 -8.358 5.445 3.428 1.00 0.00 N ATOM 194 CA LEU A 13 -9.284 6.564 3.106 1.00 0.00 C ATOM 195 C LEU A 13 -8.490 7.803 2.685 1.00 0.00 C ATOM 196 O LEU A 13 -7.790 8.402 3.476 1.00 0.00 O ATOM 197 CB LEU A 13 -10.052 6.829 4.397 1.00 0.00 C ATOM 198 CG LEU A 13 -11.017 5.673 4.665 1.00 0.00 C ATOM 199 CD1 LEU A 13 -11.823 5.378 3.398 1.00 0.00 C ATOM 200 CD2 LEU A 13 -10.223 4.427 5.063 1.00 0.00 C ATOM 0 H LEU A 13 -7.896 5.508 4.335 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.953 6.322 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.357 6.937 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.603 7.766 4.318 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.695 5.946 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.511 4.554 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.389 6.265 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.144 5.105 2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.911 3.603 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.545 4.154 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.647 4.635 5.965 1.00 0.00 H new ATOM 212 N SER A 14 -8.595 8.192 1.444 1.00 0.00 N ATOM 213 CA SER A 14 -7.847 9.392 0.973 1.00 0.00 C ATOM 214 C SER A 14 -8.423 9.879 -0.359 1.00 0.00 C ATOM 215 O SER A 14 -8.790 9.094 -1.211 1.00 0.00 O ATOM 216 CB SER A 14 -6.407 8.917 0.794 1.00 0.00 C ATOM 217 OG SER A 14 -6.036 8.116 1.907 1.00 0.00 O ATOM 0 H SER A 14 -9.166 7.731 0.736 1.00 0.00 H new ATOM 0 HA SER A 14 -7.915 10.224 1.673 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.313 8.344 -0.129 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.737 9.773 0.708 1.00 0.00 H new ATOM 0 HG SER A 14 -6.282 8.575 2.737 1.00 0.00 H new ATOM 223 N GLU A 15 -8.504 11.169 -0.547 1.00 0.00 N ATOM 224 CA GLU A 15 -9.056 11.701 -1.826 1.00 0.00 C ATOM 225 C GLU A 15 -8.502 10.903 -3.009 1.00 0.00 C ATOM 226 O GLU A 15 -9.242 10.372 -3.812 1.00 0.00 O ATOM 227 CB GLU A 15 -8.583 13.154 -1.889 1.00 0.00 C ATOM 228 CG GLU A 15 -9.719 14.040 -2.401 1.00 0.00 C ATOM 229 CD GLU A 15 -9.144 15.149 -3.284 1.00 0.00 C ATOM 230 OE1 GLU A 15 -8.317 14.840 -4.126 1.00 0.00 O ATOM 231 OE2 GLU A 15 -9.540 16.289 -3.102 1.00 0.00 O ATOM 0 H GLU A 15 -8.212 11.876 0.128 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.142 11.626 -1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.265 13.487 -0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.718 13.238 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.433 13.443 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.262 14.474 -1.562 1.00 0.00 H new ATOM 238 N LYS A 16 -7.205 10.813 -3.119 1.00 0.00 N ATOM 239 CA LYS A 16 -6.605 10.049 -4.245 1.00 0.00 C ATOM 240 C LYS A 16 -7.165 8.625 -4.271 1.00 0.00 C ATOM 241 O LYS A 16 -7.194 7.977 -5.298 1.00 0.00 O ATOM 242 CB LYS A 16 -5.103 10.032 -3.957 1.00 0.00 C ATOM 243 CG LYS A 16 -4.416 11.142 -4.755 1.00 0.00 C ATOM 244 CD LYS A 16 -3.702 10.536 -5.965 1.00 0.00 C ATOM 245 CE LYS A 16 -2.295 11.128 -6.079 1.00 0.00 C ATOM 246 NZ LYS A 16 -1.605 10.284 -7.095 1.00 0.00 N ATOM 0 H LYS A 16 -6.536 11.236 -2.476 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.827 10.496 -5.214 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.925 10.173 -2.891 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.682 9.063 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.151 11.876 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.700 11.668 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.645 9.452 -5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.268 10.740 -6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.330 12.172 -6.390 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.775 11.098 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.633 10.628 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.581 9.297 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.119 10.338 -7.998 1.00 0.00 H new ATOM 260 N ALA A 17 -7.612 8.135 -3.146 1.00 0.00 N ATOM 261 CA ALA A 17 -8.172 6.754 -3.104 1.00 0.00 C ATOM 262 C ALA A 17 -9.665 6.779 -3.437 1.00 0.00 C ATOM 263 O ALA A 17 -10.103 6.198 -4.408 1.00 0.00 O ATOM 264 CB ALA A 17 -7.954 6.279 -1.668 1.00 0.00 C ATOM 0 H ALA A 17 -7.613 8.631 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 17 -7.694 6.094 -3.828 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.342 5.266 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.888 6.287 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.477 6.945 -0.981 1.00 0.00 H new ATOM 270 N TYR A 18 -10.450 7.447 -2.637 1.00 0.00 N ATOM 271 CA TYR A 18 -11.915 7.505 -2.908 1.00 0.00 C ATOM 272 C TYR A 18 -12.170 7.810 -4.385 1.00 0.00 C ATOM 273 O TYR A 18 -13.016 7.208 -5.016 1.00 0.00 O ATOM 274 CB TYR A 18 -12.438 8.635 -2.023 1.00 0.00 C ATOM 275 CG TYR A 18 -12.929 8.056 -0.719 1.00 0.00 C ATOM 276 CD1 TYR A 18 -13.713 6.896 -0.723 1.00 0.00 C ATOM 277 CD2 TYR A 18 -12.598 8.674 0.492 1.00 0.00 C ATOM 278 CE1 TYR A 18 -14.168 6.354 0.485 1.00 0.00 C ATOM 279 CE2 TYR A 18 -13.052 8.132 1.701 1.00 0.00 C ATOM 280 CZ TYR A 18 -13.837 6.973 1.697 1.00 0.00 C ATOM 281 OH TYR A 18 -14.283 6.438 2.888 1.00 0.00 O ATOM 0 H TYR A 18 -10.141 7.955 -1.808 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.412 6.559 -2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -11.648 9.363 -1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.247 9.164 -2.527 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.967 6.419 -1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -11.993 9.568 0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -14.773 5.460 0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -12.797 8.608 2.636 1.00 0.00 H new ATOM 0 HH TYR A 18 -14.701 7.142 3.427 1.00 0.00 H new ATOM 291 N ALA A 19 -11.444 8.737 -4.943 1.00 0.00 N ATOM 292 CA ALA A 19 -11.645 9.074 -6.380 1.00 0.00 C ATOM 293 C ALA A 19 -11.002 8.000 -7.265 1.00 0.00 C ATOM 294 O ALA A 19 -11.180 7.981 -8.466 1.00 0.00 O ATOM 295 CB ALA A 19 -10.950 10.422 -6.577 1.00 0.00 C ATOM 0 H ALA A 19 -10.720 9.276 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.700 9.121 -6.650 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.055 10.737 -7.615 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.407 11.166 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.892 10.325 -6.333 1.00 0.00 H new ATOM 301 N GLY A 20 -10.263 7.104 -6.672 1.00 0.00 N ATOM 302 CA GLY A 20 -9.611 6.022 -7.463 1.00 0.00 C ATOM 303 C GLY A 20 -10.363 4.719 -7.215 1.00 0.00 C ATOM 304 O GLY A 20 -10.585 3.933 -8.115 1.00 0.00 O ATOM 0 H GLY A 20 -10.082 7.074 -5.669 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.623 6.270 -8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.566 5.917 -7.172 1.00 0.00 H new ATOM 308 N PHE A 21 -10.767 4.492 -5.998 1.00 0.00 N ATOM 309 CA PHE A 21 -11.520 3.251 -5.684 1.00 0.00 C ATOM 310 C PHE A 21 -12.965 3.413 -6.157 1.00 0.00 C ATOM 311 O PHE A 21 -13.680 2.453 -6.365 1.00 0.00 O ATOM 312 CB PHE A 21 -11.408 3.107 -4.153 1.00 0.00 C ATOM 313 CG PHE A 21 -12.771 3.019 -3.495 1.00 0.00 C ATOM 314 CD1 PHE A 21 -13.655 1.990 -3.841 1.00 0.00 C ATOM 315 CD2 PHE A 21 -13.143 3.967 -2.536 1.00 0.00 C ATOM 316 CE1 PHE A 21 -14.912 1.913 -3.229 1.00 0.00 C ATOM 317 CE2 PHE A 21 -14.399 3.890 -1.924 1.00 0.00 C ATOM 318 CZ PHE A 21 -15.284 2.862 -2.271 1.00 0.00 C ATOM 0 H PHE A 21 -10.607 5.115 -5.206 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.136 2.360 -6.180 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.830 2.214 -3.913 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.862 3.959 -3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.368 1.256 -4.579 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.460 4.759 -2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -15.595 1.120 -3.497 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.686 4.623 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 21 -16.254 2.802 -1.799 1.00 0.00 H new ATOM 328 N ALA A 22 -13.392 4.630 -6.329 1.00 0.00 N ATOM 329 CA ALA A 22 -14.777 4.880 -6.788 1.00 0.00 C ATOM 330 C ALA A 22 -15.029 4.168 -8.120 1.00 0.00 C ATOM 331 O ALA A 22 -16.155 3.994 -8.542 1.00 0.00 O ATOM 332 CB ALA A 22 -14.854 6.394 -6.959 1.00 0.00 C ATOM 0 H ALA A 22 -12.833 5.468 -6.169 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.526 4.507 -6.089 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.852 6.671 -7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.648 6.879 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.117 6.715 -7.696 1.00 0.00 H new ATOM 338 N GLU A 23 -13.983 3.762 -8.788 1.00 0.00 N ATOM 339 CA GLU A 23 -14.148 3.067 -10.097 1.00 0.00 C ATOM 340 C GLU A 23 -14.100 1.547 -9.906 1.00 0.00 C ATOM 341 O GLU A 23 -13.914 0.801 -10.848 1.00 0.00 O ATOM 342 CB GLU A 23 -12.962 3.535 -10.939 1.00 0.00 C ATOM 343 CG GLU A 23 -13.437 3.860 -12.357 1.00 0.00 C ATOM 344 CD GLU A 23 -12.372 4.690 -13.075 1.00 0.00 C ATOM 345 OE1 GLU A 23 -11.857 5.612 -12.464 1.00 0.00 O ATOM 346 OE2 GLU A 23 -12.089 4.390 -14.222 1.00 0.00 O ATOM 0 H GLU A 23 -13.017 3.882 -8.482 1.00 0.00 H new ATOM 0 HA GLU A 23 -15.104 3.295 -10.567 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -12.506 4.416 -10.486 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.196 2.760 -10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.628 2.939 -12.908 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.377 4.410 -12.320 1.00 0.00 H new ATOM 353 N GLY A 24 -14.260 1.083 -8.699 1.00 0.00 N ATOM 354 CA GLY A 24 -14.218 -0.378 -8.452 1.00 0.00 C ATOM 355 C GLY A 24 -12.824 -0.777 -7.962 1.00 0.00 C ATOM 356 O GLY A 24 -12.567 -1.925 -7.654 1.00 0.00 O ATOM 0 H GLY A 24 -14.419 1.658 -7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.968 -0.653 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.461 -0.919 -9.367 1.00 0.00 H new ATOM 360 N LYS A 25 -11.923 0.164 -7.883 1.00 0.00 N ATOM 361 CA LYS A 25 -10.544 -0.153 -7.409 1.00 0.00 C ATOM 362 C LYS A 25 -10.514 -0.167 -5.876 1.00 0.00 C ATOM 363 O LYS A 25 -11.187 0.607 -5.229 1.00 0.00 O ATOM 364 CB LYS A 25 -9.673 0.982 -7.958 1.00 0.00 C ATOM 365 CG LYS A 25 -9.659 0.925 -9.486 1.00 0.00 C ATOM 366 CD LYS A 25 -9.731 2.345 -10.052 1.00 0.00 C ATOM 367 CE LYS A 25 -9.480 2.305 -11.561 1.00 0.00 C ATOM 368 NZ LYS A 25 -9.124 3.705 -11.927 1.00 0.00 N ATOM 0 H LYS A 25 -12.082 1.142 -8.127 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.196 -1.130 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.059 1.945 -7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.658 0.894 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.752 0.429 -9.833 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.502 0.336 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.709 2.781 -9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.990 2.980 -9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.674 1.614 -11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.366 1.969 -12.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.742 3.725 -12.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.973 4.303 -11.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.408 4.065 -11.265 1.00 0.00 H new ATOM 382 N TYR A 26 -9.756 -1.046 -5.283 1.00 0.00 N ATOM 383 CA TYR A 26 -9.720 -1.082 -3.792 1.00 0.00 C ATOM 384 C TYR A 26 -8.287 -1.029 -3.262 1.00 0.00 C ATOM 385 O TYR A 26 -7.617 -2.034 -3.161 1.00 0.00 O ATOM 386 CB TYR A 26 -10.392 -2.400 -3.405 1.00 0.00 C ATOM 387 CG TYR A 26 -11.847 -2.372 -3.817 1.00 0.00 C ATOM 388 CD1 TYR A 26 -12.564 -1.167 -3.804 1.00 0.00 C ATOM 389 CD2 TYR A 26 -12.480 -3.556 -4.208 1.00 0.00 C ATOM 390 CE1 TYR A 26 -13.912 -1.150 -4.184 1.00 0.00 C ATOM 391 CE2 TYR A 26 -13.828 -3.539 -4.586 1.00 0.00 C ATOM 392 CZ TYR A 26 -14.543 -2.335 -4.575 1.00 0.00 C ATOM 393 OH TYR A 26 -15.872 -2.319 -4.948 1.00 0.00 O ATOM 0 H TYR A 26 -9.168 -1.732 -5.756 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.229 -0.219 -3.363 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.883 -3.234 -3.888 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.312 -2.558 -2.329 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.077 -0.252 -3.501 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.929 -4.485 -4.218 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -14.464 -0.222 -4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -14.316 -4.454 -4.886 1.00 0.00 H new ATOM 0 HH TYR A 26 -15.976 -2.779 -5.807 1.00 0.00 H new ATOM 403 N THR A 27 -7.835 0.138 -2.891 1.00 0.00 N ATOM 404 CA THR A 27 -6.469 0.281 -2.327 1.00 0.00 C ATOM 405 C THR A 27 -6.487 -0.207 -0.881 1.00 0.00 C ATOM 406 O THR A 27 -7.232 0.292 -0.061 1.00 0.00 O ATOM 407 CB THR A 27 -6.164 1.779 -2.385 1.00 0.00 C ATOM 408 OG1 THR A 27 -6.529 2.286 -3.661 1.00 0.00 O ATOM 409 CG2 THR A 27 -4.670 2.008 -2.149 1.00 0.00 C ATOM 0 H THR A 27 -8.364 1.008 -2.957 1.00 0.00 H new ATOM 0 HA THR A 27 -5.719 -0.295 -2.869 1.00 0.00 H new ATOM 0 HB THR A 27 -6.733 2.296 -1.613 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.336 3.246 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.455 3.076 -2.191 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.393 1.620 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.097 1.492 -2.919 1.00 0.00 H new ATOM 417 N PHE A 28 -5.702 -1.192 -0.560 1.00 0.00 N ATOM 418 CA PHE A 28 -5.722 -1.710 0.832 1.00 0.00 C ATOM 419 C PHE A 28 -4.353 -1.603 1.492 1.00 0.00 C ATOM 420 O PHE A 28 -3.342 -1.461 0.838 1.00 0.00 O ATOM 421 CB PHE A 28 -6.135 -3.174 0.695 1.00 0.00 C ATOM 422 CG PHE A 28 -7.537 -3.324 1.214 1.00 0.00 C ATOM 423 CD1 PHE A 28 -7.754 -3.473 2.585 1.00 0.00 C ATOM 424 CD2 PHE A 28 -8.619 -3.287 0.329 1.00 0.00 C ATOM 425 CE1 PHE A 28 -9.059 -3.589 3.077 1.00 0.00 C ATOM 426 CE2 PHE A 28 -9.925 -3.396 0.820 1.00 0.00 C ATOM 427 CZ PHE A 28 -10.145 -3.547 2.193 1.00 0.00 C ATOM 0 H PHE A 28 -5.053 -1.658 -1.194 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.403 -1.137 1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.082 -3.487 -0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.453 -3.814 1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -6.916 -3.499 3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.447 -3.175 -0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.229 -3.711 4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.763 -3.364 0.139 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.153 -3.631 2.572 1.00 0.00 H new ATOM 437 N TRP A 29 -4.320 -1.715 2.790 1.00 0.00 N ATOM 438 CA TRP A 29 -3.030 -1.667 3.514 1.00 0.00 C ATOM 439 C TRP A 29 -2.593 -3.104 3.689 1.00 0.00 C ATOM 440 O TRP A 29 -3.332 -3.923 4.198 1.00 0.00 O ATOM 441 CB TRP A 29 -3.339 -1.012 4.861 1.00 0.00 C ATOM 442 CG TRP A 29 -3.355 0.473 4.698 1.00 0.00 C ATOM 443 CD1 TRP A 29 -4.359 1.289 5.093 1.00 0.00 C ATOM 444 CD2 TRP A 29 -2.339 1.331 4.105 1.00 0.00 C ATOM 445 NE1 TRP A 29 -4.023 2.594 4.779 1.00 0.00 N ATOM 446 CE2 TRP A 29 -2.787 2.671 4.169 1.00 0.00 C ATOM 447 CE3 TRP A 29 -1.084 1.078 3.523 1.00 0.00 C ATOM 448 CZ2 TRP A 29 -2.017 3.725 3.672 1.00 0.00 C ATOM 449 CZ3 TRP A 29 -0.307 2.135 3.022 1.00 0.00 C ATOM 450 CH2 TRP A 29 -0.773 3.455 3.097 1.00 0.00 C ATOM 0 H TRP A 29 -5.142 -1.839 3.381 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.243 -1.111 3.005 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.303 -1.358 5.234 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.590 -1.300 5.598 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.273 0.974 5.574 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.616 3.401 4.974 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.716 0.065 3.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.380 4.740 3.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.655 1.930 2.576 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.170 4.263 2.710 1.00 0.00 H new ATOM 461 N VAL A 30 -1.444 -3.453 3.219 1.00 0.00 N ATOM 462 CA VAL A 30 -1.056 -4.866 3.316 1.00 0.00 C ATOM 463 C VAL A 30 0.437 -5.027 3.571 1.00 0.00 C ATOM 464 O VAL A 30 1.228 -4.135 3.347 1.00 0.00 O ATOM 465 CB VAL A 30 -1.470 -5.397 1.955 1.00 0.00 C ATOM 466 CG1 VAL A 30 -0.865 -4.533 0.848 1.00 0.00 C ATOM 467 CG2 VAL A 30 -1.014 -6.820 1.779 1.00 0.00 C ATOM 0 H VAL A 30 -0.766 -2.831 2.778 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.520 -5.396 4.148 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.558 -5.362 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.168 -4.922 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.217 -3.507 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.222 -4.553 0.924 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.321 -7.182 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.072 -6.867 1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.463 -7.444 2.552 1.00 0.00 H new ATOM 477 N HIS A 31 0.808 -6.171 4.057 1.00 0.00 N ATOM 478 CA HIS A 31 2.243 -6.441 4.362 1.00 0.00 C ATOM 479 C HIS A 31 3.067 -6.495 3.073 1.00 0.00 C ATOM 480 O HIS A 31 2.558 -6.827 2.021 1.00 0.00 O ATOM 481 CB HIS A 31 2.240 -7.804 5.053 1.00 0.00 C ATOM 482 CG HIS A 31 3.194 -7.783 6.216 1.00 0.00 C ATOM 483 ND1 HIS A 31 2.977 -6.995 7.335 1.00 0.00 N ATOM 484 CD2 HIS A 31 4.371 -8.449 6.449 1.00 0.00 C ATOM 485 CE1 HIS A 31 4.002 -7.203 8.182 1.00 0.00 C ATOM 486 NE2 HIS A 31 4.881 -8.081 7.691 1.00 0.00 N ATOM 0 H HIS A 31 0.174 -6.944 4.260 1.00 0.00 H new ATOM 0 HA HIS A 31 2.687 -5.662 4.982 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.235 -8.045 5.399 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.529 -8.582 4.346 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.832 -9.152 5.771 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.102 -6.719 9.142 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.740 -8.411 8.131 1.00 0.00 H new ATOM 494 N PRO A 32 4.325 -6.171 3.207 1.00 0.00 N ATOM 495 CA PRO A 32 5.247 -6.187 2.045 1.00 0.00 C ATOM 496 C PRO A 32 5.568 -7.628 1.657 1.00 0.00 C ATOM 497 O PRO A 32 6.658 -8.116 1.882 1.00 0.00 O ATOM 498 CB PRO A 32 6.490 -5.480 2.567 1.00 0.00 C ATOM 499 CG PRO A 32 6.451 -5.668 4.050 1.00 0.00 C ATOM 500 CD PRO A 32 5.001 -5.763 4.443 1.00 0.00 C ATOM 0 HA PRO A 32 4.834 -5.709 1.157 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.396 -5.908 2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.482 -4.422 2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 32 6.989 -6.571 4.339 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.934 -4.833 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.850 -6.491 5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.623 -4.808 4.808 1.00 0.00 H new ATOM 508 N LYS A 33 4.622 -8.315 1.092 1.00 0.00 N ATOM 509 CA LYS A 33 4.859 -9.732 0.707 1.00 0.00 C ATOM 510 C LYS A 33 3.594 -10.316 0.080 1.00 0.00 C ATOM 511 O LYS A 33 3.654 -11.145 -0.805 1.00 0.00 O ATOM 512 CB LYS A 33 5.184 -10.450 2.018 1.00 0.00 C ATOM 513 CG LYS A 33 4.257 -9.947 3.131 1.00 0.00 C ATOM 514 CD LYS A 33 3.458 -11.122 3.701 1.00 0.00 C ATOM 515 CE LYS A 33 4.334 -11.911 4.675 1.00 0.00 C ATOM 516 NZ LYS A 33 3.429 -12.269 5.803 1.00 0.00 N ATOM 0 H LYS A 33 3.691 -7.957 0.879 1.00 0.00 H new ATOM 0 HA LYS A 33 5.661 -9.837 -0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.066 -11.526 1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.224 -10.274 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.842 -9.475 3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.579 -9.189 2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.567 -10.756 4.211 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.119 -11.771 2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.747 -12.802 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.178 -11.313 5.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.740 -11.779 6.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.456 -11.982 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.458 -13.297 5.959 1.00 0.00 H new ATOM 530 N ALA A 34 2.450 -9.882 0.537 1.00 0.00 N ATOM 531 CA ALA A 34 1.171 -10.400 -0.025 1.00 0.00 C ATOM 532 C ALA A 34 1.282 -10.523 -1.548 1.00 0.00 C ATOM 533 O ALA A 34 1.051 -9.576 -2.274 1.00 0.00 O ATOM 534 CB ALA A 34 0.131 -9.349 0.350 1.00 0.00 C ATOM 0 H ALA A 34 2.347 -9.189 1.278 1.00 0.00 H new ATOM 0 HA ALA A 34 0.914 -11.387 0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.846 -9.653 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.087 -9.252 1.435 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.408 -8.391 -0.089 1.00 0.00 H new ATOM 540 N THR A 35 1.645 -11.675 -2.037 1.00 0.00 N ATOM 541 CA THR A 35 1.783 -11.851 -3.512 1.00 0.00 C ATOM 542 C THR A 35 0.579 -11.253 -4.243 1.00 0.00 C ATOM 543 O THR A 35 -0.553 -11.417 -3.832 1.00 0.00 O ATOM 544 CB THR A 35 1.843 -13.364 -3.725 1.00 0.00 C ATOM 545 OG1 THR A 35 1.303 -14.021 -2.588 1.00 0.00 O ATOM 546 CG2 THR A 35 3.298 -13.791 -3.921 1.00 0.00 C ATOM 0 H THR A 35 1.853 -12.504 -1.480 1.00 0.00 H new ATOM 0 HA THR A 35 2.666 -11.346 -3.903 1.00 0.00 H new ATOM 0 HB THR A 35 1.264 -13.633 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.841 -14.814 -2.382 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.343 -14.869 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.712 -13.284 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.878 -13.525 -3.037 1.00 0.00 H new ATOM 554 N LYS A 36 0.815 -10.564 -5.327 1.00 0.00 N ATOM 555 CA LYS A 36 -0.319 -9.961 -6.087 1.00 0.00 C ATOM 556 C LYS A 36 -1.463 -10.970 -6.196 1.00 0.00 C ATOM 557 O LYS A 36 -2.604 -10.663 -5.917 1.00 0.00 O ATOM 558 CB LYS A 36 0.254 -9.640 -7.468 1.00 0.00 C ATOM 559 CG LYS A 36 -0.282 -8.287 -7.942 1.00 0.00 C ATOM 560 CD LYS A 36 0.856 -7.264 -7.969 1.00 0.00 C ATOM 561 CE LYS A 36 0.273 -5.853 -8.072 1.00 0.00 C ATOM 562 NZ LYS A 36 0.001 -5.654 -9.522 1.00 0.00 N ATOM 0 H LYS A 36 1.741 -10.393 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.722 -9.071 -5.603 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.343 -9.617 -7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.020 -10.421 -8.178 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.719 -8.386 -8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.075 -7.946 -7.277 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.461 -7.354 -7.067 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.515 -7.459 -8.815 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -0.639 -5.759 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.974 -5.108 -7.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.396 -4.742 -9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.442 -6.422 -10.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.026 -5.659 -9.686 1.00 0.00 H new ATOM 576 N THR A 37 -1.164 -12.177 -6.590 1.00 0.00 N ATOM 577 CA THR A 37 -2.234 -13.208 -6.704 1.00 0.00 C ATOM 578 C THR A 37 -2.908 -13.404 -5.347 1.00 0.00 C ATOM 579 O THR A 37 -4.118 -13.372 -5.232 1.00 0.00 O ATOM 580 CB THR A 37 -1.518 -14.477 -7.126 1.00 0.00 C ATOM 581 OG1 THR A 37 -0.466 -14.156 -8.025 1.00 0.00 O ATOM 582 CG2 THR A 37 -2.509 -15.421 -7.804 1.00 0.00 C ATOM 0 H THR A 37 -0.227 -12.494 -6.838 1.00 0.00 H new ATOM 0 HA THR A 37 -3.010 -12.925 -7.415 1.00 0.00 H new ATOM 0 HB THR A 37 -1.099 -14.966 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.004 -14.977 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.994 -16.333 -8.107 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.309 -15.671 -7.107 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.932 -14.934 -8.683 1.00 0.00 H new ATOM 590 N GLU A 38 -2.133 -13.604 -4.316 1.00 0.00 N ATOM 591 CA GLU A 38 -2.729 -13.795 -2.965 1.00 0.00 C ATOM 592 C GLU A 38 -3.637 -12.610 -2.636 1.00 0.00 C ATOM 593 O GLU A 38 -4.704 -12.769 -2.078 1.00 0.00 O ATOM 594 CB GLU A 38 -1.539 -13.845 -2.005 1.00 0.00 C ATOM 595 CG GLU A 38 -1.195 -15.303 -1.695 1.00 0.00 C ATOM 596 CD GLU A 38 -1.889 -15.726 -0.399 1.00 0.00 C ATOM 597 OE1 GLU A 38 -1.558 -15.171 0.636 1.00 0.00 O ATOM 598 OE2 GLU A 38 -2.739 -16.599 -0.464 1.00 0.00 O ATOM 0 H GLU A 38 -1.114 -13.643 -4.351 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.335 -14.698 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.679 -13.344 -2.449 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.778 -13.313 -1.084 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.512 -15.945 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.116 -15.420 -1.597 1.00 0.00 H new ATOM 605 N ILE A 39 -3.232 -11.424 -2.999 1.00 0.00 N ATOM 606 CA ILE A 39 -4.086 -10.237 -2.726 1.00 0.00 C ATOM 607 C ILE A 39 -5.447 -10.453 -3.392 1.00 0.00 C ATOM 608 O ILE A 39 -6.473 -10.020 -2.907 1.00 0.00 O ATOM 609 CB ILE A 39 -3.334 -9.058 -3.355 1.00 0.00 C ATOM 610 CG1 ILE A 39 -2.147 -8.687 -2.460 1.00 0.00 C ATOM 611 CG2 ILE A 39 -4.263 -7.847 -3.492 1.00 0.00 C ATOM 612 CD1 ILE A 39 -1.355 -7.543 -3.098 1.00 0.00 C ATOM 0 H ILE A 39 -2.350 -11.227 -3.471 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.267 -10.062 -1.665 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.982 -9.346 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.502 -8.390 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.502 -9.554 -2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.716 -7.018 -3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.110 -8.108 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.625 -7.553 -2.507 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.512 -7.283 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.986 -7.856 -4.075 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.002 -6.674 -3.217 1.00 0.00 H new ATOM 624 N LYS A 40 -5.460 -11.147 -4.495 1.00 0.00 N ATOM 625 CA LYS A 40 -6.747 -11.422 -5.190 1.00 0.00 C ATOM 626 C LYS A 40 -7.647 -12.262 -4.286 1.00 0.00 C ATOM 627 O LYS A 40 -8.822 -11.994 -4.129 1.00 0.00 O ATOM 628 CB LYS A 40 -6.351 -12.224 -6.430 1.00 0.00 C ATOM 629 CG LYS A 40 -7.563 -12.369 -7.352 1.00 0.00 C ATOM 630 CD LYS A 40 -7.233 -13.350 -8.480 1.00 0.00 C ATOM 631 CE LYS A 40 -7.191 -12.599 -9.812 1.00 0.00 C ATOM 632 NZ LYS A 40 -5.766 -12.202 -9.986 1.00 0.00 N ATOM 0 H LYS A 40 -4.632 -11.537 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.293 -10.513 -5.443 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.538 -11.723 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.983 -13.208 -6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.423 -12.726 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.835 -11.399 -7.768 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.273 -13.830 -8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.982 -14.141 -8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.527 -13.232 -10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.844 -11.727 -9.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.657 -11.681 -10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.476 -11.594 -9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.169 -13.053 -10.006 1.00 0.00 H new ATOM 646 N ASN A 41 -7.093 -13.282 -3.695 1.00 0.00 N ATOM 647 CA ASN A 41 -7.892 -14.164 -2.799 1.00 0.00 C ATOM 648 C ASN A 41 -8.218 -13.454 -1.482 1.00 0.00 C ATOM 649 O ASN A 41 -9.260 -13.673 -0.898 1.00 0.00 O ATOM 650 CB ASN A 41 -6.998 -15.379 -2.544 1.00 0.00 C ATOM 651 CG ASN A 41 -6.741 -16.108 -3.864 1.00 0.00 C ATOM 652 OD1 ASN A 41 -7.461 -17.021 -4.218 1.00 0.00 O ATOM 653 ND2 ASN A 41 -5.737 -15.741 -4.612 1.00 0.00 N ATOM 0 H ASN A 41 -6.113 -13.545 -3.795 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.847 -14.439 -3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.054 -15.063 -2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.475 -16.052 -1.831 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.556 -16.220 -5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.133 -14.975 -4.315 1.00 0.00 H new ATOM 660 N ALA A 42 -7.339 -12.618 -0.994 1.00 0.00 N ATOM 661 CA ALA A 42 -7.625 -11.929 0.298 1.00 0.00 C ATOM 662 C ALA A 42 -8.933 -11.142 0.207 1.00 0.00 C ATOM 663 O ALA A 42 -9.772 -11.223 1.083 1.00 0.00 O ATOM 664 CB ALA A 42 -6.427 -11.006 0.556 1.00 0.00 C ATOM 0 H ALA A 42 -6.446 -12.385 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.752 -12.637 1.117 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.576 -10.470 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.516 -11.601 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.336 -10.290 -0.261 1.00 0.00 H new ATOM 670 N VAL A 43 -9.135 -10.400 -0.841 1.00 0.00 N ATOM 671 CA VAL A 43 -10.414 -9.643 -0.962 1.00 0.00 C ATOM 672 C VAL A 43 -11.543 -10.599 -1.359 1.00 0.00 C ATOM 673 O VAL A 43 -12.677 -10.436 -0.958 1.00 0.00 O ATOM 674 CB VAL A 43 -10.185 -8.590 -2.049 1.00 0.00 C ATOM 675 CG1 VAL A 43 -9.296 -7.481 -1.497 1.00 0.00 C ATOM 676 CG2 VAL A 43 -9.510 -9.223 -3.264 1.00 0.00 C ATOM 0 H VAL A 43 -8.480 -10.283 -1.614 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.700 -9.173 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.147 -8.178 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.131 -6.729 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.782 -7.019 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.339 -7.901 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.353 -8.463 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.549 -9.644 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.146 -10.014 -3.662 1.00 0.00 H new ATOM 686 N GLU A 44 -11.239 -11.606 -2.133 1.00 0.00 N ATOM 687 CA GLU A 44 -12.297 -12.576 -2.541 1.00 0.00 C ATOM 688 C GLU A 44 -12.758 -13.384 -1.326 1.00 0.00 C ATOM 689 O GLU A 44 -13.936 -13.610 -1.125 1.00 0.00 O ATOM 690 CB GLU A 44 -11.625 -13.487 -3.568 1.00 0.00 C ATOM 691 CG GLU A 44 -12.109 -13.120 -4.973 1.00 0.00 C ATOM 692 CD GLU A 44 -13.226 -14.076 -5.393 1.00 0.00 C ATOM 693 OE1 GLU A 44 -14.257 -14.074 -4.741 1.00 0.00 O ATOM 694 OE2 GLU A 44 -13.031 -14.794 -6.360 1.00 0.00 O ATOM 0 H GLU A 44 -10.307 -11.799 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.178 -12.083 -2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.542 -13.384 -3.507 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -11.859 -14.530 -3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -12.471 -12.092 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.282 -13.177 -5.681 1.00 0.00 H new ATOM 701 N THR A 45 -11.836 -13.815 -0.510 1.00 0.00 N ATOM 702 CA THR A 45 -12.209 -14.604 0.698 1.00 0.00 C ATOM 703 C THR A 45 -12.707 -13.664 1.801 1.00 0.00 C ATOM 704 O THR A 45 -13.502 -14.041 2.640 1.00 0.00 O ATOM 705 CB THR A 45 -10.915 -15.317 1.103 1.00 0.00 C ATOM 706 OG1 THR A 45 -10.978 -16.672 0.685 1.00 0.00 O ATOM 707 CG2 THR A 45 -10.709 -15.264 2.624 1.00 0.00 C ATOM 0 H THR A 45 -10.836 -13.654 -0.628 1.00 0.00 H new ATOM 0 HA THR A 45 -13.016 -15.314 0.516 1.00 0.00 H new ATOM 0 HB THR A 45 -10.076 -14.812 0.624 1.00 0.00 H new ATOM 0 HG1 THR A 45 -10.243 -16.857 0.063 1.00 0.00 H new ATOM 0 HG21 THR A 45 -9.783 -15.777 2.884 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.651 -14.225 2.947 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.547 -15.752 3.122 1.00 0.00 H new ATOM 715 N ALA A 46 -12.235 -12.451 1.813 1.00 0.00 N ATOM 716 CA ALA A 46 -12.666 -11.501 2.871 1.00 0.00 C ATOM 717 C ALA A 46 -13.822 -10.622 2.381 1.00 0.00 C ATOM 718 O ALA A 46 -14.880 -10.582 2.976 1.00 0.00 O ATOM 719 CB ALA A 46 -11.434 -10.644 3.154 1.00 0.00 C ATOM 0 H ALA A 46 -11.570 -12.077 1.136 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.025 -12.021 3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.669 -9.913 3.928 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.617 -11.281 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.135 -10.125 2.243 1.00 0.00 H new ATOM 725 N PHE A 47 -13.621 -9.906 1.308 1.00 0.00 N ATOM 726 CA PHE A 47 -14.701 -9.016 0.790 1.00 0.00 C ATOM 727 C PHE A 47 -15.773 -9.836 0.066 1.00 0.00 C ATOM 728 O PHE A 47 -16.876 -9.377 -0.156 1.00 0.00 O ATOM 729 CB PHE A 47 -13.981 -8.051 -0.158 1.00 0.00 C ATOM 730 CG PHE A 47 -12.812 -7.421 0.577 1.00 0.00 C ATOM 731 CD1 PHE A 47 -12.743 -7.487 1.978 1.00 0.00 C ATOM 732 CD2 PHE A 47 -11.795 -6.779 -0.139 1.00 0.00 C ATOM 733 CE1 PHE A 47 -11.664 -6.916 2.656 1.00 0.00 C ATOM 734 CE2 PHE A 47 -10.715 -6.205 0.546 1.00 0.00 C ATOM 735 CZ PHE A 47 -10.650 -6.276 1.941 1.00 0.00 C ATOM 0 H PHE A 47 -12.756 -9.898 0.767 1.00 0.00 H new ATOM 0 HA PHE A 47 -15.226 -8.482 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.628 -8.583 -1.041 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.669 -7.279 -0.504 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -13.527 -7.981 2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -11.842 -6.726 -1.217 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.614 -6.969 3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -9.931 -5.707 -0.005 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.815 -5.836 2.466 1.00 0.00 H new ATOM 745 N LYS A 48 -15.461 -11.052 -0.286 1.00 0.00 N ATOM 746 CA LYS A 48 -16.461 -11.916 -0.979 1.00 0.00 C ATOM 747 C LYS A 48 -16.949 -11.246 -2.259 1.00 0.00 C ATOM 748 O LYS A 48 -18.132 -11.172 -2.526 1.00 0.00 O ATOM 749 CB LYS A 48 -17.609 -12.078 0.019 1.00 0.00 C ATOM 750 CG LYS A 48 -17.271 -13.193 1.010 1.00 0.00 C ATOM 751 CD LYS A 48 -17.673 -12.761 2.422 1.00 0.00 C ATOM 752 CE LYS A 48 -19.196 -12.634 2.504 1.00 0.00 C ATOM 753 NZ LYS A 48 -19.438 -11.310 3.139 1.00 0.00 N ATOM 0 H LYS A 48 -14.553 -11.488 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.039 -12.878 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -17.776 -11.142 0.552 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -18.533 -12.314 -0.509 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.795 -14.109 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.204 -13.413 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -17.319 -13.490 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.204 -11.809 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -19.650 -12.686 1.515 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -19.628 -13.441 3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.462 -11.150 3.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -19.000 -11.292 4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.022 -10.561 2.550 1.00 0.00 H new ATOM 767 N VAL A 49 -16.042 -10.756 -3.050 1.00 0.00 N ATOM 768 CA VAL A 49 -16.434 -10.091 -4.313 1.00 0.00 C ATOM 769 C VAL A 49 -15.735 -10.763 -5.498 1.00 0.00 C ATOM 770 O VAL A 49 -15.266 -11.880 -5.404 1.00 0.00 O ATOM 771 CB VAL A 49 -15.981 -8.635 -4.124 1.00 0.00 C ATOM 772 CG1 VAL A 49 -14.643 -8.365 -4.822 1.00 0.00 C ATOM 773 CG2 VAL A 49 -17.049 -7.714 -4.688 1.00 0.00 C ATOM 0 H VAL A 49 -15.038 -10.789 -2.872 1.00 0.00 H new ATOM 0 HA VAL A 49 -17.501 -10.153 -4.525 1.00 0.00 H new ATOM 0 HB VAL A 49 -15.841 -8.450 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -14.355 -7.325 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.877 -9.020 -4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -14.744 -8.557 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -16.740 -6.677 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -17.187 -7.923 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -17.988 -7.880 -4.160 1.00 0.00 H new ATOM 783 N LYS A 50 -15.648 -10.085 -6.606 1.00 0.00 N ATOM 784 CA LYS A 50 -14.965 -10.682 -7.787 1.00 0.00 C ATOM 785 C LYS A 50 -13.747 -9.840 -8.156 1.00 0.00 C ATOM 786 O LYS A 50 -13.868 -8.758 -8.695 1.00 0.00 O ATOM 787 CB LYS A 50 -15.994 -10.661 -8.916 1.00 0.00 C ATOM 788 CG LYS A 50 -15.570 -11.659 -9.995 1.00 0.00 C ATOM 789 CD LYS A 50 -14.544 -11.003 -10.922 1.00 0.00 C ATOM 790 CE LYS A 50 -14.676 -11.591 -12.327 1.00 0.00 C ATOM 791 NZ LYS A 50 -13.355 -11.349 -12.971 1.00 0.00 N ATOM 0 H LYS A 50 -16.019 -9.145 -6.746 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.615 -11.695 -7.590 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -16.981 -10.919 -8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.069 -9.659 -9.338 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.143 -12.549 -9.534 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.439 -11.983 -10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.702 -9.925 -10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.536 -11.167 -10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.908 -12.655 -12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -15.480 -11.109 -12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.367 -11.725 -13.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.164 -10.327 -12.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.610 -11.825 -12.424 1.00 0.00 H new ATOM 805 N VAL A 51 -12.575 -10.322 -7.861 1.00 0.00 N ATOM 806 CA VAL A 51 -11.350 -9.544 -8.184 1.00 0.00 C ATOM 807 C VAL A 51 -11.000 -9.682 -9.665 1.00 0.00 C ATOM 808 O VAL A 51 -10.747 -10.764 -10.156 1.00 0.00 O ATOM 809 CB VAL A 51 -10.254 -10.163 -7.323 1.00 0.00 C ATOM 810 CG1 VAL A 51 -8.956 -9.377 -7.506 1.00 0.00 C ATOM 811 CG2 VAL A 51 -10.678 -10.115 -5.855 1.00 0.00 C ATOM 0 H VAL A 51 -12.412 -11.222 -7.410 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.479 -8.480 -7.988 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.094 -11.199 -7.623 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.173 -9.820 -6.891 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.656 -9.409 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.112 -8.341 -7.205 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.897 -10.557 -5.236 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.836 -9.079 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.604 -10.675 -5.725 1.00 0.00 H new ATOM 821 N VAL A 52 -10.973 -8.592 -10.377 1.00 0.00 N ATOM 822 CA VAL A 52 -10.625 -8.659 -11.822 1.00 0.00 C ATOM 823 C VAL A 52 -9.223 -8.086 -12.041 1.00 0.00 C ATOM 824 O VAL A 52 -8.679 -8.145 -13.126 1.00 0.00 O ATOM 825 CB VAL A 52 -11.684 -7.811 -12.528 1.00 0.00 C ATOM 826 CG1 VAL A 52 -11.659 -6.384 -11.995 1.00 0.00 C ATOM 827 CG2 VAL A 52 -11.399 -7.783 -14.023 1.00 0.00 C ATOM 0 H VAL A 52 -11.177 -7.658 -10.021 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.614 -9.679 -12.206 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.664 -8.249 -12.341 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.418 -5.791 -12.506 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.865 -6.392 -10.925 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -10.677 -5.947 -12.172 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.154 -7.179 -14.526 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.413 -7.352 -14.197 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.425 -8.799 -14.418 1.00 0.00 H new ATOM 837 N LYS A 53 -8.630 -7.543 -11.010 1.00 0.00 N ATOM 838 CA LYS A 53 -7.258 -6.978 -11.147 1.00 0.00 C ATOM 839 C LYS A 53 -6.792 -6.403 -9.800 1.00 0.00 C ATOM 840 O LYS A 53 -7.565 -5.834 -9.054 1.00 0.00 O ATOM 841 CB LYS A 53 -7.380 -5.900 -12.247 1.00 0.00 C ATOM 842 CG LYS A 53 -7.510 -4.489 -11.660 1.00 0.00 C ATOM 843 CD LYS A 53 -6.187 -3.738 -11.834 1.00 0.00 C ATOM 844 CE LYS A 53 -5.068 -4.499 -11.120 1.00 0.00 C ATOM 845 NZ LYS A 53 -3.809 -3.860 -11.589 1.00 0.00 N ATOM 0 H LYS A 53 -9.038 -7.467 -10.078 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.510 -7.722 -11.422 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.505 -5.943 -12.895 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.249 -6.115 -12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.315 -3.949 -12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.771 -4.546 -10.603 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.952 -3.635 -12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.273 -2.730 -11.427 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.169 -4.425 -10.037 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.090 -5.560 -11.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.058 -4.017 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.526 -4.278 -12.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.962 -2.838 -11.710 1.00 0.00 H new ATOM 859 N VAL A 54 -5.539 -6.551 -9.483 1.00 0.00 N ATOM 860 CA VAL A 54 -5.030 -6.007 -8.191 1.00 0.00 C ATOM 861 C VAL A 54 -3.719 -5.249 -8.426 1.00 0.00 C ATOM 862 O VAL A 54 -2.801 -5.755 -9.041 1.00 0.00 O ATOM 863 CB VAL A 54 -4.826 -7.234 -7.280 1.00 0.00 C ATOM 864 CG1 VAL A 54 -3.467 -7.171 -6.571 1.00 0.00 C ATOM 865 CG2 VAL A 54 -5.927 -7.255 -6.219 1.00 0.00 C ATOM 0 H VAL A 54 -4.844 -7.024 -10.060 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.719 -5.297 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.863 -8.132 -7.897 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.348 -8.048 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.670 -7.151 -7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.417 -6.270 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.790 -8.120 -5.570 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.876 -6.343 -5.624 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.900 -7.317 -6.706 1.00 0.00 H new ATOM 875 N ASN A 55 -3.616 -4.051 -7.928 1.00 0.00 N ATOM 876 CA ASN A 55 -2.356 -3.284 -8.113 1.00 0.00 C ATOM 877 C ASN A 55 -1.898 -2.708 -6.775 1.00 0.00 C ATOM 878 O ASN A 55 -2.557 -1.876 -6.188 1.00 0.00 O ATOM 879 CB ASN A 55 -2.703 -2.165 -9.095 1.00 0.00 C ATOM 880 CG ASN A 55 -1.629 -2.086 -10.181 1.00 0.00 C ATOM 881 OD1 ASN A 55 -1.646 -2.849 -11.127 1.00 0.00 O ATOM 882 ND2 ASN A 55 -0.687 -1.188 -10.085 1.00 0.00 N ATOM 0 H ASN A 55 -4.347 -3.571 -7.403 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.544 -3.906 -8.489 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.678 -2.352 -9.546 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.773 -1.213 -8.568 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.034 -1.127 -10.804 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.672 -0.547 -9.291 1.00 0.00 H new ATOM 889 N THR A 56 -0.770 -3.140 -6.292 1.00 0.00 N ATOM 890 CA THR A 56 -0.272 -2.612 -4.991 1.00 0.00 C ATOM 891 C THR A 56 1.030 -1.840 -5.211 1.00 0.00 C ATOM 892 O THR A 56 1.654 -1.939 -6.248 1.00 0.00 O ATOM 893 CB THR A 56 -0.037 -3.834 -4.071 1.00 0.00 C ATOM 894 OG1 THR A 56 1.263 -3.749 -3.509 1.00 0.00 O ATOM 895 CG2 THR A 56 -0.166 -5.151 -4.845 1.00 0.00 C ATOM 0 H THR A 56 -0.171 -3.834 -6.739 1.00 0.00 H new ATOM 0 HA THR A 56 -0.989 -1.927 -4.538 1.00 0.00 H new ATOM 0 HB THR A 56 -0.795 -3.823 -3.288 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.923 -4.060 -4.163 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.005 -5.989 -4.169 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.167 -5.226 -5.270 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.572 -5.176 -5.647 1.00 0.00 H new ATOM 903 N LEU A 57 1.440 -1.062 -4.247 1.00 0.00 N ATOM 904 CA LEU A 57 2.697 -0.275 -4.412 1.00 0.00 C ATOM 905 C LEU A 57 3.383 -0.073 -3.058 1.00 0.00 C ATOM 906 O LEU A 57 2.840 -0.395 -2.020 1.00 0.00 O ATOM 907 CB LEU A 57 2.248 1.068 -4.991 1.00 0.00 C ATOM 908 CG LEU A 57 1.008 1.562 -4.243 1.00 0.00 C ATOM 909 CD1 LEU A 57 1.030 3.090 -4.170 1.00 0.00 C ATOM 910 CD2 LEU A 57 -0.249 1.106 -4.986 1.00 0.00 C ATOM 0 H LEU A 57 0.962 -0.937 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 57 3.417 -0.780 -5.057 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.052 1.799 -4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.026 0.961 -6.053 1.00 0.00 H new ATOM 0 HG LEU A 57 1.005 1.151 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.147 3.442 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.926 3.416 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.033 3.502 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.133 1.457 -4.454 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.245 1.518 -5.995 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.266 0.017 -5.039 1.00 0.00 H new ATOM 922 N HIS A 58 4.575 0.462 -3.063 1.00 0.00 N ATOM 923 CA HIS A 58 5.298 0.688 -1.778 1.00 0.00 C ATOM 924 C HIS A 58 4.812 1.983 -1.121 1.00 0.00 C ATOM 925 O HIS A 58 4.932 3.057 -1.676 1.00 0.00 O ATOM 926 CB HIS A 58 6.771 0.805 -2.165 1.00 0.00 C ATOM 927 CG HIS A 58 7.614 0.821 -0.921 1.00 0.00 C ATOM 928 ND1 HIS A 58 8.960 0.494 -0.936 1.00 0.00 N ATOM 929 CD2 HIS A 58 7.316 1.123 0.386 1.00 0.00 C ATOM 930 CE1 HIS A 58 9.419 0.605 0.323 1.00 0.00 C ATOM 931 NE2 HIS A 58 8.459 0.986 1.169 1.00 0.00 N ATOM 0 H HIS A 58 5.079 0.752 -3.901 1.00 0.00 H new ATOM 0 HA HIS A 58 5.129 -0.116 -1.062 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.059 -0.032 -2.802 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.936 1.716 -2.741 1.00 0.00 H new ATOM 0 HD1 HIS A 58 9.504 0.219 -1.754 1.00 0.00 H new ATOM 0 HD2 HIS A 58 6.344 1.421 0.750 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.440 0.410 0.615 1.00 0.00 H new ATOM 939 N VAL A 59 4.258 1.887 0.055 1.00 0.00 N ATOM 940 CA VAL A 59 3.755 3.111 0.750 1.00 0.00 C ATOM 941 C VAL A 59 4.470 3.287 2.092 1.00 0.00 C ATOM 942 O VAL A 59 4.456 2.410 2.931 1.00 0.00 O ATOM 943 CB VAL A 59 2.246 2.900 0.979 1.00 0.00 C ATOM 944 CG1 VAL A 59 1.459 3.912 0.147 1.00 0.00 C ATOM 945 CG2 VAL A 59 1.812 1.483 0.577 1.00 0.00 C ATOM 0 H VAL A 59 4.130 1.014 0.568 1.00 0.00 H new ATOM 0 HA VAL A 59 3.942 4.005 0.154 1.00 0.00 H new ATOM 0 HB VAL A 59 2.044 3.038 2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.391 3.764 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.734 4.923 0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.689 3.772 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.742 1.367 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.027 1.322 -0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.358 0.752 1.174 1.00 0.00 H new ATOM 955 N ARG A 60 5.092 4.415 2.309 1.00 0.00 N ATOM 956 CA ARG A 60 5.799 4.632 3.604 1.00 0.00 C ATOM 957 C ARG A 60 5.624 6.074 4.079 1.00 0.00 C ATOM 958 O ARG A 60 6.276 6.980 3.601 1.00 0.00 O ATOM 959 CB ARG A 60 7.270 4.351 3.317 1.00 0.00 C ATOM 960 CG ARG A 60 7.422 2.933 2.763 1.00 0.00 C ATOM 961 CD ARG A 60 7.010 1.916 3.829 1.00 0.00 C ATOM 962 NE ARG A 60 6.863 0.630 3.093 1.00 0.00 N ATOM 963 CZ ARG A 60 7.664 -0.367 3.354 1.00 0.00 C ATOM 964 NH1 ARG A 60 8.901 -0.136 3.702 1.00 0.00 N ATOM 965 NH2 ARG A 60 7.230 -1.593 3.264 1.00 0.00 N ATOM 0 H ARG A 60 5.141 5.192 1.649 1.00 0.00 H new ATOM 0 HA ARG A 60 5.403 3.987 4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.656 5.076 2.600 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.857 4.461 4.229 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.804 2.812 1.873 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.455 2.759 2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.763 1.839 4.614 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.076 2.205 4.311 1.00 0.00 H new ATOM 0 HE ARG A 60 6.136 0.528 2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.241 0.823 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.527 -0.915 3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.264 -1.773 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.856 -2.372 3.468 1.00 0.00 H new ATOM 979 N GLY A 61 4.755 6.290 5.026 1.00 0.00 N ATOM 980 CA GLY A 61 4.544 7.669 5.543 1.00 0.00 C ATOM 981 C GLY A 61 4.106 8.590 4.404 1.00 0.00 C ATOM 982 O GLY A 61 4.464 8.395 3.259 1.00 0.00 O ATOM 0 H GLY A 61 4.181 5.570 5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.787 7.661 6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.464 8.043 5.992 1.00 0.00 H new ATOM 986 N LYS A 62 3.337 9.599 4.708 1.00 0.00 N ATOM 987 CA LYS A 62 2.882 10.537 3.643 1.00 0.00 C ATOM 988 C LYS A 62 3.869 11.701 3.522 1.00 0.00 C ATOM 989 O LYS A 62 3.878 12.424 2.545 1.00 0.00 O ATOM 990 CB LYS A 62 1.514 11.037 4.110 1.00 0.00 C ATOM 991 CG LYS A 62 0.869 11.869 3.001 1.00 0.00 C ATOM 992 CD LYS A 62 -0.634 11.586 2.959 1.00 0.00 C ATOM 993 CE LYS A 62 -0.870 10.138 2.524 1.00 0.00 C ATOM 994 NZ LYS A 62 -1.326 10.232 1.109 1.00 0.00 N ATOM 0 H LYS A 62 3.004 9.815 5.648 1.00 0.00 H new ATOM 0 HA LYS A 62 2.824 10.061 2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.874 10.192 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.623 11.638 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 62 1.045 12.930 3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.322 11.627 2.040 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.075 11.758 3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.124 12.269 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.042 9.547 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -1.621 9.655 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.509 9.277 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.200 10.794 1.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.588 10.690 0.536 1.00 0.00 H new ATOM 1008 N LYS A 63 4.702 11.881 4.510 1.00 0.00 N ATOM 1009 CA LYS A 63 5.695 12.993 4.463 1.00 0.00 C ATOM 1010 C LYS A 63 6.572 12.965 5.719 1.00 0.00 C ATOM 1011 O LYS A 63 6.369 12.166 6.610 1.00 0.00 O ATOM 1012 CB LYS A 63 4.857 14.272 4.423 1.00 0.00 C ATOM 1013 CG LYS A 63 4.100 14.430 5.743 1.00 0.00 C ATOM 1014 CD LYS A 63 3.021 15.503 5.587 1.00 0.00 C ATOM 1015 CE LYS A 63 1.852 15.191 6.525 1.00 0.00 C ATOM 1016 NZ LYS A 63 1.116 14.078 5.864 1.00 0.00 N ATOM 0 H LYS A 63 4.738 11.304 5.351 1.00 0.00 H new ATOM 0 HA LYS A 63 6.362 12.918 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.501 15.136 4.255 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.154 14.232 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.646 13.482 6.030 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.791 14.707 6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.434 16.485 5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.674 15.537 4.554 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.206 14.898 7.513 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.211 16.062 6.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.161 14.399 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.627 13.784 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.045 13.272 6.518 1.00 0.00 H new ATOM 1030 N LYS A 64 7.546 13.830 5.795 1.00 0.00 N ATOM 1031 CA LYS A 64 8.433 13.850 6.994 1.00 0.00 C ATOM 1032 C LYS A 64 9.257 12.562 7.066 1.00 0.00 C ATOM 1033 O LYS A 64 9.393 11.958 8.112 1.00 0.00 O ATOM 1034 CB LYS A 64 7.481 13.945 8.188 1.00 0.00 C ATOM 1035 CG LYS A 64 7.833 15.176 9.026 1.00 0.00 C ATOM 1036 CD LYS A 64 6.785 16.267 8.796 1.00 0.00 C ATOM 1037 CE LYS A 64 6.994 17.396 9.807 1.00 0.00 C ATOM 1038 NZ LYS A 64 6.750 16.772 11.137 1.00 0.00 N ATOM 0 H LYS A 64 7.766 14.523 5.080 1.00 0.00 H new ATOM 0 HA LYS A 64 9.142 14.678 6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.450 14.012 7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.554 13.044 8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.871 14.911 10.083 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.822 15.544 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.865 16.655 7.780 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.783 15.851 8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.003 17.803 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.305 18.221 9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.344 17.479 11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.087 15.978 11.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.649 16.423 11.527 1.00 0.00 H new ATOM 1052 N ARG A 65 9.808 12.136 5.962 1.00 0.00 N ATOM 1053 CA ARG A 65 10.624 10.888 5.968 1.00 0.00 C ATOM 1054 C ARG A 65 11.793 11.018 4.988 1.00 0.00 C ATOM 1055 O ARG A 65 12.900 10.608 5.271 1.00 0.00 O ATOM 1056 CB ARG A 65 9.664 9.786 5.515 1.00 0.00 C ATOM 1057 CG ARG A 65 9.253 10.032 4.063 1.00 0.00 C ATOM 1058 CD ARG A 65 8.065 9.134 3.709 1.00 0.00 C ATOM 1059 NE ARG A 65 7.993 9.163 2.222 1.00 0.00 N ATOM 1060 CZ ARG A 65 8.376 8.125 1.530 1.00 0.00 C ATOM 1061 NH1 ARG A 65 9.301 7.333 1.999 1.00 0.00 N ATOM 1062 NH2 ARG A 65 7.836 7.880 0.367 1.00 0.00 N ATOM 0 H ARG A 65 9.728 12.598 5.056 1.00 0.00 H new ATOM 0 HA ARG A 65 11.052 10.678 6.948 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.143 8.811 5.608 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.782 9.771 6.156 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.985 11.079 3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 65 10.090 9.825 3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.213 8.119 4.078 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.143 9.504 4.157 1.00 0.00 H new ATOM 0 HE ARG A 65 7.644 9.994 1.744 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.725 7.525 2.907 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.600 6.522 1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.115 8.500 -0.001 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.136 7.069 -0.174 1.00 0.00 H new ATOM 1076 N LEU A 66 11.555 11.589 3.837 1.00 0.00 N ATOM 1077 CA LEU A 66 12.654 11.745 2.840 1.00 0.00 C ATOM 1078 C LEU A 66 13.424 10.431 2.697 1.00 0.00 C ATOM 1079 O LEU A 66 14.309 10.132 3.475 1.00 0.00 O ATOM 1080 CB LEU A 66 13.558 12.836 3.415 1.00 0.00 C ATOM 1081 CG LEU A 66 13.395 14.118 2.596 1.00 0.00 C ATOM 1082 CD1 LEU A 66 11.924 14.538 2.589 1.00 0.00 C ATOM 1083 CD2 LEU A 66 14.239 15.232 3.221 1.00 0.00 C ATOM 0 H LEU A 66 10.648 11.954 3.545 1.00 0.00 H new ATOM 0 HA LEU A 66 12.281 12.006 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.302 13.023 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.598 12.509 3.396 1.00 0.00 H new ATOM 0 HG LEU A 66 13.726 13.939 1.573 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.809 15.451 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.321 13.746 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.592 14.717 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.124 16.146 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.907 15.409 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 66 15.288 14.935 3.226 1.00 0.00 H new ATOM 1095 N GLY A 67 13.093 9.640 1.715 1.00 0.00 N ATOM 1096 CA GLY A 67 13.797 8.345 1.525 1.00 0.00 C ATOM 1097 C GLY A 67 15.257 8.587 1.126 1.00 0.00 C ATOM 1098 O GLY A 67 15.715 8.111 0.107 1.00 0.00 O ATOM 0 H GLY A 67 12.361 9.838 1.033 1.00 0.00 H new ATOM 0 HA2 GLY A 67 13.756 7.763 2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.295 7.760 0.755 1.00 0.00 H new ATOM 1102 N ARG A 68 15.992 9.321 1.917 1.00 0.00 N ATOM 1103 CA ARG A 68 17.420 9.587 1.581 1.00 0.00 C ATOM 1104 C ARG A 68 18.282 9.294 2.796 1.00 0.00 C ATOM 1105 O ARG A 68 19.436 9.666 2.878 1.00 0.00 O ATOM 1106 CB ARG A 68 17.495 11.073 1.221 1.00 0.00 C ATOM 1107 CG ARG A 68 16.155 11.557 0.664 1.00 0.00 C ATOM 1108 CD ARG A 68 15.913 10.930 -0.711 1.00 0.00 C ATOM 1109 NE ARG A 68 16.562 11.859 -1.675 1.00 0.00 N ATOM 1110 CZ ARG A 68 17.231 11.383 -2.691 1.00 0.00 C ATOM 1111 NH1 ARG A 68 16.774 10.351 -3.348 1.00 0.00 N ATOM 1112 NH2 ARG A 68 18.356 11.939 -3.050 1.00 0.00 N ATOM 0 H ARG A 68 15.664 9.749 2.783 1.00 0.00 H new ATOM 0 HA ARG A 68 17.774 8.964 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 68 17.760 11.654 2.104 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.282 11.236 0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.348 11.287 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.154 12.644 0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 68 16.346 9.932 -0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 68 14.847 10.828 -0.917 1.00 0.00 H new ATOM 0 HE ARG A 68 16.485 12.867 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.895 9.917 -3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.296 9.979 -4.141 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.713 12.745 -2.537 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.878 11.567 -3.843 1.00 0.00 H new ATOM 1126 N TYR A 69 17.705 8.632 3.734 1.00 0.00 N ATOM 1127 CA TYR A 69 18.432 8.284 4.985 1.00 0.00 C ATOM 1128 C TYR A 69 17.688 7.170 5.728 1.00 0.00 C ATOM 1129 O TYR A 69 16.602 6.778 5.348 1.00 0.00 O ATOM 1130 CB TYR A 69 18.425 9.578 5.797 1.00 0.00 C ATOM 1131 CG TYR A 69 18.733 9.280 7.245 1.00 0.00 C ATOM 1132 CD1 TYR A 69 20.056 9.058 7.647 1.00 0.00 C ATOM 1133 CD2 TYR A 69 17.697 9.224 8.184 1.00 0.00 C ATOM 1134 CE1 TYR A 69 20.342 8.781 8.990 1.00 0.00 C ATOM 1135 CE2 TYR A 69 17.983 8.947 9.527 1.00 0.00 C ATOM 1136 CZ TYR A 69 19.306 8.727 9.929 1.00 0.00 C ATOM 1137 OH TYR A 69 19.588 8.453 11.252 1.00 0.00 O ATOM 0 H TYR A 69 16.740 8.305 3.697 1.00 0.00 H new ATOM 0 HA TYR A 69 19.443 7.919 4.803 1.00 0.00 H new ATOM 0 HB2 TYR A 69 19.162 10.273 5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 69 17.452 10.063 5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 69 20.855 9.100 6.922 1.00 0.00 H new ATOM 0 HD2 TYR A 69 16.677 9.394 7.873 1.00 0.00 H new ATOM 0 HE1 TYR A 69 21.362 8.609 9.301 1.00 0.00 H new ATOM 0 HE2 TYR A 69 17.184 8.903 10.252 1.00 0.00 H new ATOM 0 HH TYR A 69 18.756 8.454 11.771 1.00 0.00 H new ATOM 1147 N LEU A 70 18.258 6.658 6.785 1.00 0.00 N ATOM 1148 CA LEU A 70 17.576 5.573 7.548 1.00 0.00 C ATOM 1149 C LEU A 70 16.597 6.170 8.556 1.00 0.00 C ATOM 1150 O LEU A 70 16.540 5.770 9.703 1.00 0.00 O ATOM 1151 CB LEU A 70 18.694 4.843 8.274 1.00 0.00 C ATOM 1152 CG LEU A 70 19.162 3.653 7.435 1.00 0.00 C ATOM 1153 CD1 LEU A 70 20.692 3.645 7.369 1.00 0.00 C ATOM 1154 CD2 LEU A 70 18.674 2.353 8.077 1.00 0.00 C ATOM 0 H LEU A 70 19.165 6.944 7.153 1.00 0.00 H new ATOM 0 HA LEU A 70 17.004 4.911 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 70 19.527 5.522 8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 70 18.345 4.499 9.248 1.00 0.00 H new ATOM 0 HG LEU A 70 18.755 3.737 6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 70 21.026 2.797 6.771 1.00 0.00 H new ATOM 0 HD12 LEU A 70 21.041 4.571 6.912 1.00 0.00 H new ATOM 0 HD13 LEU A 70 21.099 3.561 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 70 19.007 1.505 7.479 1.00 0.00 H new ATOM 0 HD22 LEU A 70 19.081 2.269 9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.585 2.357 8.125 1.00 0.00 H new ATOM 1166 N GLY A 71 15.831 7.120 8.129 1.00 0.00 N ATOM 1167 CA GLY A 71 14.845 7.765 9.042 1.00 0.00 C ATOM 1168 C GLY A 71 13.797 6.736 9.471 1.00 0.00 C ATOM 1169 O GLY A 71 14.095 5.786 10.167 1.00 0.00 O ATOM 0 H GLY A 71 15.840 7.487 7.177 1.00 0.00 H new ATOM 0 HA2 GLY A 71 15.354 8.168 9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.362 8.603 8.540 1.00 0.00 H new ATOM 1173 N LYS A 72 12.571 6.917 9.062 1.00 0.00 N ATOM 1174 CA LYS A 72 11.506 5.947 9.449 1.00 0.00 C ATOM 1175 C LYS A 72 11.024 5.170 8.220 1.00 0.00 C ATOM 1176 O LYS A 72 10.403 5.719 7.332 1.00 0.00 O ATOM 1177 CB LYS A 72 10.377 6.803 10.022 1.00 0.00 C ATOM 1178 CG LYS A 72 10.104 7.984 9.087 1.00 0.00 C ATOM 1179 CD LYS A 72 8.647 8.426 9.235 1.00 0.00 C ATOM 1180 CE LYS A 72 7.724 7.351 8.658 1.00 0.00 C ATOM 1181 NZ LYS A 72 6.458 7.474 9.433 1.00 0.00 N ATOM 0 H LYS A 72 12.260 7.693 8.478 1.00 0.00 H new ATOM 0 HA LYS A 72 11.862 5.210 10.169 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.475 6.202 10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.649 7.166 11.013 1.00 0.00 H new ATOM 0 HG2 LYS A 72 10.772 8.812 9.325 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.305 7.698 8.055 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.413 8.595 10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.489 9.372 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.552 7.508 7.593 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.159 6.357 8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.774 6.768 9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.652 7.312 10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.064 8.428 9.305 1.00 0.00 H new ATOM 1195 N ARG A 73 11.302 3.896 8.164 1.00 0.00 N ATOM 1196 CA ARG A 73 10.856 3.087 6.993 1.00 0.00 C ATOM 1197 C ARG A 73 10.218 1.778 7.465 1.00 0.00 C ATOM 1198 O ARG A 73 10.850 0.739 7.460 1.00 0.00 O ATOM 1199 CB ARG A 73 12.130 2.805 6.196 1.00 0.00 C ATOM 1200 CG ARG A 73 11.761 2.455 4.752 1.00 0.00 C ATOM 1201 CD ARG A 73 12.861 1.586 4.140 1.00 0.00 C ATOM 1202 NE ARG A 73 14.070 2.456 4.118 1.00 0.00 N ATOM 1203 CZ ARG A 73 15.232 1.951 3.811 1.00 0.00 C ATOM 1204 NH1 ARG A 73 15.456 1.518 2.602 1.00 0.00 N ATOM 1205 NH2 ARG A 73 16.171 1.879 4.715 1.00 0.00 N ATOM 0 H ARG A 73 11.818 3.381 8.877 1.00 0.00 H new ATOM 0 HA ARG A 73 10.108 3.607 6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 73 12.784 3.677 6.215 1.00 0.00 H new ATOM 0 HB3 ARG A 73 12.682 1.983 6.651 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.809 1.926 4.727 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.635 3.366 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.031 0.688 4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.592 1.258 3.136 1.00 0.00 H new ATOM 0 HE ARG A 73 13.989 3.447 4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 73 14.722 1.574 1.896 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.365 1.123 2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.995 2.218 5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 73 17.080 1.484 4.475 1.00 0.00 H new ATOM 1219 N PRO A 74 8.979 1.878 7.857 1.00 0.00 N ATOM 1220 CA PRO A 74 8.232 0.691 8.340 1.00 0.00 C ATOM 1221 C PRO A 74 7.833 -0.205 7.168 1.00 0.00 C ATOM 1222 O PRO A 74 8.356 -0.094 6.077 1.00 0.00 O ATOM 1223 CB PRO A 74 6.999 1.293 9.005 1.00 0.00 C ATOM 1224 CG PRO A 74 6.808 2.624 8.348 1.00 0.00 C ATOM 1225 CD PRO A 74 8.164 3.097 7.888 1.00 0.00 C ATOM 0 HA PRO A 74 8.815 0.065 9.015 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.126 0.656 8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.145 1.402 10.080 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.124 2.541 7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.369 3.337 9.046 1.00 0.00 H new ATOM 0 HD2 PRO A 74 8.110 3.565 6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 74 8.580 3.837 8.571 1.00 0.00 H new ATOM 1233 N ASP A 75 6.900 -1.087 7.388 1.00 0.00 N ATOM 1234 CA ASP A 75 6.446 -1.987 6.303 1.00 0.00 C ATOM 1235 C ASP A 75 5.004 -1.643 5.947 1.00 0.00 C ATOM 1236 O ASP A 75 4.063 -2.171 6.505 1.00 0.00 O ATOM 1237 CB ASP A 75 6.539 -3.389 6.902 1.00 0.00 C ATOM 1238 CG ASP A 75 5.580 -3.504 8.088 1.00 0.00 C ATOM 1239 OD1 ASP A 75 5.588 -2.611 8.920 1.00 0.00 O ATOM 1240 OD2 ASP A 75 4.855 -4.483 8.146 1.00 0.00 O ATOM 0 H ASP A 75 6.430 -1.221 8.283 1.00 0.00 H new ATOM 0 HA ASP A 75 7.037 -1.901 5.392 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.291 -4.135 6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.560 -3.590 7.226 1.00 0.00 H new ATOM 1245 N ARG A 76 4.835 -0.748 5.028 1.00 0.00 N ATOM 1246 CA ARG A 76 3.466 -0.331 4.620 1.00 0.00 C ATOM 1247 C ARG A 76 3.303 -0.469 3.101 1.00 0.00 C ATOM 1248 O ARG A 76 3.930 0.231 2.333 1.00 0.00 O ATOM 1249 CB ARG A 76 3.384 1.134 5.062 1.00 0.00 C ATOM 1250 CG ARG A 76 2.312 1.881 4.265 1.00 0.00 C ATOM 1251 CD ARG A 76 2.468 3.384 4.510 1.00 0.00 C ATOM 1252 NE ARG A 76 1.404 3.725 5.495 1.00 0.00 N ATOM 1253 CZ ARG A 76 1.445 4.863 6.131 1.00 0.00 C ATOM 1254 NH1 ARG A 76 1.327 5.984 5.472 1.00 0.00 N ATOM 1255 NH2 ARG A 76 1.605 4.883 7.426 1.00 0.00 N ATOM 0 H ARG A 76 5.593 -0.278 4.533 1.00 0.00 H new ATOM 0 HA ARG A 76 2.677 -0.939 5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.155 1.185 6.126 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.351 1.616 4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.410 1.660 3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.318 1.551 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.458 3.620 4.901 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.347 3.949 3.586 1.00 0.00 H new ATOM 0 HE ARG A 76 0.644 3.069 5.672 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.203 5.970 4.460 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.359 6.874 5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.698 4.008 7.942 1.00 0.00 H new ATOM 0 HH22 ARG A 76 1.637 5.774 7.922 1.00 0.00 H new ATOM 1269 N LYS A 77 2.463 -1.367 2.666 1.00 0.00 N ATOM 1270 CA LYS A 77 2.255 -1.547 1.200 1.00 0.00 C ATOM 1271 C LYS A 77 0.772 -1.359 0.861 1.00 0.00 C ATOM 1272 O LYS A 77 -0.100 -1.797 1.585 1.00 0.00 O ATOM 1273 CB LYS A 77 2.712 -2.980 0.904 1.00 0.00 C ATOM 1274 CG LYS A 77 2.106 -3.457 -0.418 1.00 0.00 C ATOM 1275 CD LYS A 77 2.432 -4.938 -0.622 1.00 0.00 C ATOM 1276 CE LYS A 77 1.480 -5.535 -1.662 1.00 0.00 C ATOM 1277 NZ LYS A 77 1.241 -6.934 -1.209 1.00 0.00 N ATOM 0 H LYS A 77 1.911 -1.984 3.262 1.00 0.00 H new ATOM 0 HA LYS A 77 2.810 -0.823 0.604 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.800 -3.020 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.407 -3.643 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.026 -3.309 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.502 -2.869 -1.246 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.465 -5.051 -0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.338 -5.475 0.322 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.548 -4.972 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.920 -5.513 -2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.211 -7.566 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.010 -7.230 -0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.335 -6.984 -0.701 1.00 0.00 H new ATOM 1291 N LYS A 78 0.479 -0.703 -0.230 1.00 0.00 N ATOM 1292 CA LYS A 78 -0.948 -0.479 -0.604 1.00 0.00 C ATOM 1293 C LYS A 78 -1.374 -1.460 -1.702 1.00 0.00 C ATOM 1294 O LYS A 78 -0.581 -1.845 -2.535 1.00 0.00 O ATOM 1295 CB LYS A 78 -0.995 0.958 -1.126 1.00 0.00 C ATOM 1296 CG LYS A 78 -1.685 1.857 -0.097 1.00 0.00 C ATOM 1297 CD LYS A 78 -2.005 3.210 -0.734 1.00 0.00 C ATOM 1298 CE LYS A 78 -2.721 4.099 0.286 1.00 0.00 C ATOM 1299 NZ LYS A 78 -3.169 5.289 -0.489 1.00 0.00 N ATOM 0 H LYS A 78 1.164 -0.313 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.623 -0.635 0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.015 1.318 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.533 0.994 -2.073 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.601 1.385 0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.040 1.995 0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.087 3.692 -1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.633 3.070 -1.614 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.567 3.580 0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.053 4.385 1.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.669 5.946 0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -2.342 5.766 -0.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.809 4.986 -1.251 1.00 0.00 H new ATOM 1313 N ALA A 79 -2.619 -1.865 -1.709 1.00 0.00 N ATOM 1314 CA ALA A 79 -3.084 -2.820 -2.762 1.00 0.00 C ATOM 1315 C ALA A 79 -4.395 -2.364 -3.377 1.00 0.00 C ATOM 1316 O ALA A 79 -5.397 -2.258 -2.708 1.00 0.00 O ATOM 1317 CB ALA A 79 -3.304 -4.141 -2.049 1.00 0.00 C ATOM 0 H ALA A 79 -3.330 -1.578 -1.036 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.353 -2.891 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.647 -4.888 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.368 -4.472 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.056 -4.013 -1.270 1.00 0.00 H new ATOM 1323 N ILE A 80 -4.396 -2.123 -4.656 1.00 0.00 N ATOM 1324 CA ILE A 80 -5.644 -1.692 -5.334 1.00 0.00 C ATOM 1325 C ILE A 80 -6.292 -2.888 -6.020 1.00 0.00 C ATOM 1326 O ILE A 80 -5.769 -3.430 -6.972 1.00 0.00 O ATOM 1327 CB ILE A 80 -5.203 -0.656 -6.362 1.00 0.00 C ATOM 1328 CG1 ILE A 80 -4.876 0.659 -5.656 1.00 0.00 C ATOM 1329 CG2 ILE A 80 -6.335 -0.423 -7.366 1.00 0.00 C ATOM 1330 CD1 ILE A 80 -3.768 0.442 -4.625 1.00 0.00 C ATOM 0 H ILE A 80 -3.581 -2.207 -5.263 1.00 0.00 H new ATOM 0 HA ILE A 80 -6.377 -1.280 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.318 -1.018 -6.884 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.562 1.405 -6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.768 1.049 -5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.022 0.317 -8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.572 -1.359 -7.871 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.219 -0.061 -6.840 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.543 1.386 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.097 -0.288 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.873 0.073 -5.125 1.00 0.00 H new ATOM 1342 N VAL A 81 -7.423 -3.308 -5.537 1.00 0.00 N ATOM 1343 CA VAL A 81 -8.109 -4.481 -6.152 1.00 0.00 C ATOM 1344 C VAL A 81 -9.297 -4.014 -6.995 1.00 0.00 C ATOM 1345 O VAL A 81 -10.152 -3.292 -6.525 1.00 0.00 O ATOM 1346 CB VAL A 81 -8.600 -5.327 -4.972 1.00 0.00 C ATOM 1347 CG1 VAL A 81 -8.844 -6.763 -5.442 1.00 0.00 C ATOM 1348 CG2 VAL A 81 -7.549 -5.332 -3.856 1.00 0.00 C ATOM 0 H VAL A 81 -7.906 -2.891 -4.741 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.446 -5.043 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.527 -4.900 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.193 -7.366 -4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.598 -6.765 -6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.915 -7.182 -5.828 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.907 -5.936 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.618 -5.753 -4.235 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.374 -4.311 -3.516 1.00 0.00 H new ATOM 1358 N GLN A 82 -9.370 -4.427 -8.232 1.00 0.00 N ATOM 1359 CA GLN A 82 -10.515 -4.008 -9.075 1.00 0.00 C ATOM 1360 C GLN A 82 -11.503 -5.149 -9.181 1.00 0.00 C ATOM 1361 O GLN A 82 -11.123 -6.303 -9.214 1.00 0.00 O ATOM 1362 CB GLN A 82 -9.930 -3.735 -10.457 1.00 0.00 C ATOM 1363 CG GLN A 82 -10.932 -2.937 -11.291 1.00 0.00 C ATOM 1364 CD GLN A 82 -10.536 -1.462 -11.303 1.00 0.00 C ATOM 1365 OE1 GLN A 82 -9.397 -1.123 -11.050 1.00 0.00 O ATOM 1366 NE2 GLN A 82 -11.437 -0.561 -11.590 1.00 0.00 N ATOM 0 H GLN A 82 -8.688 -5.033 -8.689 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.025 -3.138 -8.662 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.996 -3.181 -10.364 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.694 -4.675 -10.955 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.961 -3.324 -12.310 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.935 -3.051 -10.879 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.393 -0.846 -11.802 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.184 0.427 -11.602 1.00 0.00 H new ATOM 1375 N VAL A 83 -12.759 -4.857 -9.281 1.00 0.00 N ATOM 1376 CA VAL A 83 -13.723 -5.961 -9.439 1.00 0.00 C ATOM 1377 C VAL A 83 -14.404 -5.830 -10.792 1.00 0.00 C ATOM 1378 O VAL A 83 -14.471 -4.762 -11.369 1.00 0.00 O ATOM 1379 CB VAL A 83 -14.738 -5.861 -8.303 1.00 0.00 C ATOM 1380 CG1 VAL A 83 -14.039 -5.430 -7.015 1.00 0.00 C ATOM 1381 CG2 VAL A 83 -15.825 -4.848 -8.662 1.00 0.00 C ATOM 0 H VAL A 83 -13.155 -3.917 -9.261 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.229 -6.932 -9.397 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.195 -6.839 -8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.770 -5.361 -6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.277 -6.164 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.570 -4.457 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.545 -4.783 -7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.372 -3.870 -8.825 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.334 -5.168 -9.571 1.00 0.00 H new ATOM 1391 N ALA A 84 -14.904 -6.902 -11.300 1.00 0.00 N ATOM 1392 CA ALA A 84 -15.577 -6.844 -12.618 1.00 0.00 C ATOM 1393 C ALA A 84 -16.886 -6.064 -12.506 1.00 0.00 C ATOM 1394 O ALA A 84 -17.279 -5.654 -11.432 1.00 0.00 O ATOM 1395 CB ALA A 84 -15.844 -8.296 -12.965 1.00 0.00 C ATOM 0 H ALA A 84 -14.879 -7.823 -10.863 1.00 0.00 H new ATOM 0 HA ALA A 84 -14.979 -6.341 -13.378 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -16.344 -8.353 -13.932 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.900 -8.838 -13.012 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -16.481 -8.742 -12.201 1.00 0.00 H new ATOM 1401 N PRO A 85 -17.515 -5.889 -13.629 1.00 0.00 N ATOM 1402 CA PRO A 85 -18.797 -5.155 -13.679 1.00 0.00 C ATOM 1403 C PRO A 85 -19.929 -6.027 -13.134 1.00 0.00 C ATOM 1404 O PRO A 85 -20.023 -7.202 -13.431 1.00 0.00 O ATOM 1405 CB PRO A 85 -18.990 -4.871 -15.163 1.00 0.00 C ATOM 1406 CG PRO A 85 -18.203 -5.917 -15.870 1.00 0.00 C ATOM 1407 CD PRO A 85 -17.091 -6.358 -14.948 1.00 0.00 C ATOM 0 HA PRO A 85 -18.797 -4.247 -13.076 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -20.044 -4.918 -15.438 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -18.638 -3.872 -15.421 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -18.839 -6.762 -16.133 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -17.794 -5.524 -16.801 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -16.965 -7.441 -14.965 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -16.135 -5.921 -15.238 1.00 0.00 H new ATOM 1415 N GLY A 86 -20.786 -5.458 -12.337 1.00 0.00 N ATOM 1416 CA GLY A 86 -21.915 -6.246 -11.766 1.00 0.00 C ATOM 1417 C GLY A 86 -21.709 -6.422 -10.259 1.00 0.00 C ATOM 1418 O GLY A 86 -22.642 -6.672 -9.522 1.00 0.00 O ATOM 0 H GLY A 86 -20.755 -4.478 -12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.860 -5.737 -11.957 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -21.974 -7.220 -12.251 1.00 0.00 H new ATOM 1422 N GLN A 87 -20.495 -6.295 -9.792 1.00 0.00 N ATOM 1423 CA GLN A 87 -20.238 -6.457 -8.330 1.00 0.00 C ATOM 1424 C GLN A 87 -19.749 -5.138 -7.726 1.00 0.00 C ATOM 1425 O GLN A 87 -19.614 -4.141 -8.408 1.00 0.00 O ATOM 1426 CB GLN A 87 -19.147 -7.526 -8.222 1.00 0.00 C ATOM 1427 CG GLN A 87 -18.081 -7.287 -9.291 1.00 0.00 C ATOM 1428 CD GLN A 87 -18.385 -8.155 -10.513 1.00 0.00 C ATOM 1429 OE1 GLN A 87 -18.677 -7.647 -11.577 1.00 0.00 O ATOM 1430 NE2 GLN A 87 -18.334 -9.454 -10.404 1.00 0.00 N ATOM 0 H GLN A 87 -19.672 -6.087 -10.358 1.00 0.00 H new ATOM 0 HA GLN A 87 -21.141 -6.743 -7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -18.694 -7.498 -7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.583 -8.517 -8.345 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.063 -6.235 -9.574 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -17.094 -7.528 -8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -18.089 -9.882 -9.511 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.539 -10.042 -11.212 1.00 0.00 H new ATOM 1439 N LYS A 88 -19.481 -5.129 -6.449 1.00 0.00 N ATOM 1440 CA LYS A 88 -18.999 -3.880 -5.793 1.00 0.00 C ATOM 1441 C LYS A 88 -18.769 -4.124 -4.298 1.00 0.00 C ATOM 1442 O LYS A 88 -19.699 -4.157 -3.515 1.00 0.00 O ATOM 1443 CB LYS A 88 -20.122 -2.864 -6.005 1.00 0.00 C ATOM 1444 CG LYS A 88 -21.460 -3.490 -5.607 1.00 0.00 C ATOM 1445 CD LYS A 88 -22.602 -2.553 -6.008 1.00 0.00 C ATOM 1446 CE LYS A 88 -23.572 -3.295 -6.930 1.00 0.00 C ATOM 1447 NZ LYS A 88 -24.570 -3.918 -6.016 1.00 0.00 N ATOM 0 H LYS A 88 -19.575 -5.934 -5.830 1.00 0.00 H new ATOM 0 HA LYS A 88 -18.052 -3.533 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.935 -1.970 -5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -20.151 -2.551 -7.049 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -21.581 -4.457 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -21.484 -3.670 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -23.126 -2.200 -5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -22.204 -1.673 -6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -24.051 -2.612 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -23.055 -4.049 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -25.271 -4.446 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -24.086 -4.568 -5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -25.051 -3.175 -5.470 1.00 0.00 H new ATOM 1461 N ILE A 89 -17.540 -4.296 -3.894 1.00 0.00 N ATOM 1462 CA ILE A 89 -17.258 -4.536 -2.449 1.00 0.00 C ATOM 1463 C ILE A 89 -17.881 -3.426 -1.598 1.00 0.00 C ATOM 1464 O ILE A 89 -17.359 -2.333 -1.500 1.00 0.00 O ATOM 1465 CB ILE A 89 -15.733 -4.524 -2.336 1.00 0.00 C ATOM 1466 CG1 ILE A 89 -15.165 -5.757 -3.044 1.00 0.00 C ATOM 1467 CG2 ILE A 89 -15.323 -4.556 -0.864 1.00 0.00 C ATOM 1468 CD1 ILE A 89 -13.643 -5.778 -2.896 1.00 0.00 C ATOM 0 H ILE A 89 -16.720 -4.281 -4.500 1.00 0.00 H new ATOM 0 HA ILE A 89 -17.680 -5.476 -2.093 1.00 0.00 H new ATOM 0 HB ILE A 89 -15.344 -3.618 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -15.594 -6.664 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -15.438 -5.741 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -14.236 -4.547 -0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.729 -3.682 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -15.712 -5.461 -0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -13.240 -6.656 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -13.222 -4.878 -3.343 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -13.381 -5.815 -1.839 1.00 0.00 H new ATOM 1480 N GLU A 90 -19.003 -3.701 -0.991 1.00 0.00 N ATOM 1481 CA GLU A 90 -19.682 -2.672 -0.150 1.00 0.00 C ATOM 1482 C GLU A 90 -18.785 -2.238 1.014 1.00 0.00 C ATOM 1483 O GLU A 90 -19.049 -1.255 1.677 1.00 0.00 O ATOM 1484 CB GLU A 90 -20.942 -3.362 0.375 1.00 0.00 C ATOM 1485 CG GLU A 90 -20.549 -4.601 1.182 1.00 0.00 C ATOM 1486 CD GLU A 90 -21.764 -5.110 1.960 1.00 0.00 C ATOM 1487 OE1 GLU A 90 -22.872 -4.796 1.561 1.00 0.00 O ATOM 1488 OE2 GLU A 90 -21.564 -5.806 2.943 1.00 0.00 O ATOM 0 H GLU A 90 -19.482 -4.600 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 90 -19.910 -1.770 -0.718 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -21.512 -2.674 1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -21.587 -3.646 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.178 -5.380 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.739 -4.358 1.870 1.00 0.00 H new ATOM 1495 N ALA A 91 -17.736 -2.966 1.280 1.00 0.00 N ATOM 1496 CA ALA A 91 -16.842 -2.593 2.414 1.00 0.00 C ATOM 1497 C ALA A 91 -16.362 -1.145 2.266 1.00 0.00 C ATOM 1498 O ALA A 91 -16.217 -0.431 3.239 1.00 0.00 O ATOM 1499 CB ALA A 91 -15.661 -3.560 2.320 1.00 0.00 C ATOM 0 H ALA A 91 -17.459 -3.801 0.763 1.00 0.00 H new ATOM 0 HA ALA A 91 -17.351 -2.658 3.376 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -14.954 -3.351 3.123 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -16.021 -4.585 2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.164 -3.435 1.358 1.00 0.00 H new ATOM 1505 N LEU A 92 -16.118 -0.701 1.064 1.00 0.00 N ATOM 1506 CA LEU A 92 -15.653 0.707 0.873 1.00 0.00 C ATOM 1507 C LEU A 92 -16.786 1.552 0.294 1.00 0.00 C ATOM 1508 O LEU A 92 -16.803 2.761 0.420 1.00 0.00 O ATOM 1509 CB LEU A 92 -14.485 0.654 -0.125 1.00 0.00 C ATOM 1510 CG LEU A 92 -13.835 -0.731 -0.124 1.00 0.00 C ATOM 1511 CD1 LEU A 92 -12.589 -0.710 -1.011 1.00 0.00 C ATOM 1512 CD2 LEU A 92 -13.438 -1.104 1.305 1.00 0.00 C ATOM 0 H LEU A 92 -16.219 -1.247 0.208 1.00 0.00 H new ATOM 0 HA LEU A 92 -15.345 1.152 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.845 0.892 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.743 1.409 0.135 1.00 0.00 H new ATOM 0 HG LEU A 92 -14.542 -1.466 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.125 -1.697 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.872 -0.442 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -11.881 0.024 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -12.975 -2.091 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -12.730 -0.370 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.326 -1.118 1.937 1.00 0.00 H new ATOM 1524 N GLU A 93 -17.726 0.925 -0.353 1.00 0.00 N ATOM 1525 CA GLU A 93 -18.853 1.690 -0.953 1.00 0.00 C ATOM 1526 C GLU A 93 -19.497 2.604 0.094 1.00 0.00 C ATOM 1527 O GLU A 93 -19.771 3.759 -0.161 1.00 0.00 O ATOM 1528 CB GLU A 93 -19.849 0.631 -1.424 1.00 0.00 C ATOM 1529 CG GLU A 93 -19.189 -0.260 -2.479 1.00 0.00 C ATOM 1530 CD GLU A 93 -19.296 0.409 -3.851 1.00 0.00 C ATOM 1531 OE1 GLU A 93 -18.544 1.338 -4.095 1.00 0.00 O ATOM 1532 OE2 GLU A 93 -20.127 -0.019 -4.634 1.00 0.00 O ATOM 0 H GLU A 93 -17.763 -0.085 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 93 -18.522 2.331 -1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -20.180 0.027 -0.579 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.735 1.110 -1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -18.142 -0.428 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.673 -1.237 -2.500 1.00 0.00 H new ATOM 1539 N GLY A 94 -19.743 2.092 1.270 1.00 0.00 N ATOM 1540 CA GLY A 94 -20.374 2.931 2.330 1.00 0.00 C ATOM 1541 C GLY A 94 -19.303 3.762 3.039 1.00 0.00 C ATOM 1542 O GLY A 94 -19.587 4.796 3.610 1.00 0.00 O ATOM 0 H GLY A 94 -19.535 1.131 1.542 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -21.124 3.588 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -20.890 2.296 3.050 1.00 0.00 H new ATOM 1546 N LEU A 95 -18.076 3.319 3.009 1.00 0.00 N ATOM 1547 CA LEU A 95 -16.988 4.087 3.684 1.00 0.00 C ATOM 1548 C LEU A 95 -17.152 5.584 3.417 1.00 0.00 C ATOM 1549 O LEU A 95 -16.735 6.414 4.202 1.00 0.00 O ATOM 1550 CB LEU A 95 -15.693 3.570 3.059 1.00 0.00 C ATOM 1551 CG LEU A 95 -14.799 2.980 4.151 1.00 0.00 C ATOM 1552 CD1 LEU A 95 -15.581 1.930 4.941 1.00 0.00 C ATOM 1553 CD2 LEU A 95 -13.576 2.323 3.506 1.00 0.00 C ATOM 0 H LEU A 95 -17.779 2.460 2.547 1.00 0.00 H new ATOM 0 HA LEU A 95 -17.000 3.955 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -15.916 2.812 2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -15.174 4.381 2.548 1.00 0.00 H new ATOM 0 HG LEU A 95 -14.476 3.774 4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -14.943 1.510 5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.454 2.395 5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -15.904 1.135 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -12.937 1.902 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -13.902 1.529 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.017 3.070 2.942 1.00 0.00 H new ATOM 1565 N ILE A 96 -17.757 5.938 2.316 1.00 0.00 N ATOM 1566 CA ILE A 96 -17.947 7.381 1.999 1.00 0.00 C ATOM 1567 C ILE A 96 -18.650 8.091 3.159 1.00 0.00 C ATOM 1568 O ILE A 96 -19.438 7.445 3.831 1.00 0.00 O ATOM 1569 CB ILE A 96 -18.824 7.399 0.748 1.00 0.00 C ATOM 1570 CG1 ILE A 96 -18.012 6.904 -0.451 1.00 0.00 C ATOM 1571 CG2 ILE A 96 -19.306 8.826 0.481 1.00 0.00 C ATOM 1572 CD1 ILE A 96 -16.979 7.963 -0.840 1.00 0.00 C ATOM 1573 OXT ILE A 96 -18.389 9.266 3.355 1.00 0.00 O ATOM 0 H ILE A 96 -18.128 5.289 1.622 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.000 7.897 1.840 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.685 6.748 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -17.513 5.967 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.674 6.700 -1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.931 8.838 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -19.885 9.180 1.334 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -18.446 9.478 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -16.401 7.611 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -17.489 8.889 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -16.310 8.145 0.001 1.00 0.00 H new TER 1585 ILE A 96