USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 836 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 41 ASN : amide:sc= 1.07 K(o=1.3,f=0.7) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0.263 USER MOD Set 2.1: A 13 HIS : no HD1:sc= -0.276 X(o=-0.21,f=0.013) USER MOD Set 2.2: A 39 THR OG1 : rot -120:sc= 0.0685 USER MOD Set 3.1: A 16 SER OG : rot 110:sc= 0.32 USER MOD Set 3.2: A 50 SER OG : rot 180:sc=-0.00144 USER MOD Single : A 1 ALA N :NH3+ -110:sc= 0.0546 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 171:sc= 0.014 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.0352 F(o=-1.7!,f=-0.035) USER MOD Single : A 23 TYR OH : rot -153:sc= 0.0443 USER MOD Single : A 27 SER OG : rot -20:sc= 0.0822 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -154:sc= 0.574 USER MOD Single : A 34 TYR OH : rot -179:sc= 0.0404 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 37 ASN : amide:sc= -0.0292 X(o=-0.029,f=-0.42) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 128:sc= 1.29 USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 84 THR OG1 : rot 62:sc= 1.24 USER MOD Single : A 89 ASN : amide:sc= 0.262 X(o=0.26,f=-0.0054) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= 0.588 K(o=0.59,f=-0.048) USER MOD Single : A 95 GLN : amide:sc= 0.334 X(o=0.33,f=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.150 -3.274 -0.574 1.00 0.00 N ATOM 2 CA ALA A 1 -3.359 -4.062 -1.562 1.00 0.00 C ATOM 3 C ALA A 1 -1.845 -3.841 -1.383 1.00 0.00 C ATOM 4 O ALA A 1 -1.424 -2.833 -0.814 1.00 0.00 O ATOM 5 CB ALA A 1 -3.800 -3.751 -3.008 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.585 -3.919 0.116 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.523 -2.609 -0.079 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.895 -2.744 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.560 -5.116 -1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.205 -4.341 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.854 -4.001 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.653 -2.691 -3.213 1.00 0.00 H new ATOM 13 N VAL A 2 -1.019 -4.778 -1.876 1.00 0.00 N ATOM 14 CA VAL A 2 0.462 -4.719 -1.849 1.00 0.00 C ATOM 15 C VAL A 2 1.076 -5.098 -3.205 1.00 0.00 C ATOM 16 O VAL A 2 0.472 -5.827 -3.995 1.00 0.00 O ATOM 17 CB VAL A 2 1.065 -5.605 -0.733 1.00 0.00 C ATOM 18 CG1 VAL A 2 0.692 -5.091 0.662 1.00 0.00 C ATOM 19 CG2 VAL A 2 0.658 -7.082 -0.832 1.00 0.00 C ATOM 0 H VAL A 2 -1.369 -5.627 -2.320 1.00 0.00 H new ATOM 0 HA VAL A 2 0.715 -3.681 -1.632 1.00 0.00 H new ATOM 0 HB VAL A 2 2.143 -5.540 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.134 -5.739 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 2 1.069 -4.076 0.789 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.392 -5.092 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 2 1.118 -7.642 -0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.427 -7.166 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.993 -7.489 -1.786 1.00 0.00 H new ATOM 29 N GLU A 3 2.293 -4.618 -3.471 1.00 0.00 N ATOM 30 CA GLU A 3 3.096 -5.015 -4.641 1.00 0.00 C ATOM 31 C GLU A 3 3.738 -6.411 -4.470 1.00 0.00 C ATOM 32 O GLU A 3 3.941 -6.883 -3.346 1.00 0.00 O ATOM 33 CB GLU A 3 4.136 -3.927 -4.961 1.00 0.00 C ATOM 34 CG GLU A 3 5.220 -3.759 -3.885 1.00 0.00 C ATOM 35 CD GLU A 3 6.079 -2.513 -4.172 1.00 0.00 C ATOM 36 OE1 GLU A 3 6.985 -2.576 -5.037 1.00 0.00 O ATOM 37 OE2 GLU A 3 5.852 -1.457 -3.529 1.00 0.00 O ATOM 0 H GLU A 3 2.759 -3.934 -2.875 1.00 0.00 H new ATOM 0 HA GLU A 3 2.426 -5.105 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.616 -4.166 -5.910 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.621 -2.976 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.755 -3.669 -2.903 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.853 -4.646 -3.857 1.00 0.00 H new ATOM 44 N VAL A 4 4.057 -7.077 -5.590 1.00 0.00 N ATOM 45 CA VAL A 4 4.612 -8.445 -5.635 1.00 0.00 C ATOM 46 C VAL A 4 5.771 -8.498 -6.643 1.00 0.00 C ATOM 47 O VAL A 4 5.766 -7.768 -7.637 1.00 0.00 O ATOM 48 CB VAL A 4 3.502 -9.470 -5.981 1.00 0.00 C ATOM 49 CG1 VAL A 4 4.005 -10.922 -5.983 1.00 0.00 C ATOM 50 CG2 VAL A 4 2.332 -9.414 -4.987 1.00 0.00 C ATOM 0 H VAL A 4 3.934 -6.670 -6.517 1.00 0.00 H new ATOM 0 HA VAL A 4 5.003 -8.712 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 4 3.177 -9.185 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.182 -11.592 -6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.798 -11.031 -6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.392 -11.174 -4.996 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.579 -10.150 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.696 -9.635 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.890 -8.418 -5.001 1.00 0.00 H new ATOM 60 N GLU A 5 6.753 -9.379 -6.423 1.00 0.00 N ATOM 61 CA GLU A 5 7.941 -9.565 -7.280 1.00 0.00 C ATOM 62 C GLU A 5 7.618 -10.343 -8.580 1.00 0.00 C ATOM 63 O GLU A 5 8.195 -11.394 -8.875 1.00 0.00 O ATOM 64 CB GLU A 5 9.083 -10.213 -6.468 1.00 0.00 C ATOM 65 CG GLU A 5 9.503 -9.424 -5.218 1.00 0.00 C ATOM 66 CD GLU A 5 9.952 -7.985 -5.550 1.00 0.00 C ATOM 67 OE1 GLU A 5 11.004 -7.811 -6.212 1.00 0.00 O ATOM 68 OE2 GLU A 5 9.260 -7.021 -5.141 1.00 0.00 O ATOM 0 H GLU A 5 6.747 -10.006 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 5 8.278 -8.582 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.774 -11.213 -6.164 1.00 0.00 H new ATOM 0 HB3 GLU A 5 9.951 -10.331 -7.116 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.669 -9.388 -4.518 1.00 0.00 H new ATOM 0 HG3 GLU A 5 10.317 -9.949 -4.718 1.00 0.00 H new ATOM 75 N VAL A 6 6.647 -9.836 -9.344 1.00 0.00 N ATOM 76 CA VAL A 6 6.130 -10.426 -10.591 1.00 0.00 C ATOM 77 C VAL A 6 7.138 -10.341 -11.757 1.00 0.00 C ATOM 78 O VAL A 6 7.436 -11.395 -12.333 1.00 0.00 O ATOM 79 CB VAL A 6 4.744 -9.829 -10.929 1.00 0.00 C ATOM 80 CG1 VAL A 6 4.263 -10.158 -12.349 1.00 0.00 C ATOM 81 CG2 VAL A 6 3.691 -10.362 -9.951 1.00 0.00 C ATOM 0 H VAL A 6 6.176 -8.964 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 6 5.993 -11.495 -10.429 1.00 0.00 H new ATOM 0 HB VAL A 6 4.863 -8.748 -10.851 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.285 -9.707 -12.515 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.973 -9.762 -13.075 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.189 -11.239 -12.467 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.718 -9.936 -10.196 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.641 -11.448 -10.026 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.964 -10.081 -8.934 1.00 0.00 H new ATOM 91 N PRO A 7 7.694 -9.164 -12.128 1.00 0.00 N ATOM 92 CA PRO A 7 8.709 -9.069 -13.179 1.00 0.00 C ATOM 93 C PRO A 7 10.118 -9.447 -12.682 1.00 0.00 C ATOM 94 O PRO A 7 10.380 -9.564 -11.481 1.00 0.00 O ATOM 95 CB PRO A 7 8.657 -7.616 -13.654 1.00 0.00 C ATOM 96 CG PRO A 7 8.341 -6.876 -12.355 1.00 0.00 C ATOM 97 CD PRO A 7 7.365 -7.823 -11.654 1.00 0.00 C ATOM 0 HA PRO A 7 8.503 -9.775 -13.984 1.00 0.00 H new ATOM 0 HB2 PRO A 7 9.603 -7.294 -14.089 1.00 0.00 H new ATOM 0 HB3 PRO A 7 7.889 -7.460 -14.411 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.237 -6.705 -11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.893 -5.901 -12.544 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.467 -7.756 -10.571 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.333 -7.567 -11.894 1.00 0.00 H new ATOM 105 N GLY A 8 11.041 -9.596 -13.637 1.00 0.00 N ATOM 106 CA GLY A 8 12.471 -9.854 -13.399 1.00 0.00 C ATOM 107 C GLY A 8 13.121 -10.735 -14.474 1.00 0.00 C ATOM 108 O GLY A 8 12.483 -11.648 -15.000 1.00 0.00 O ATOM 0 H GLY A 8 10.810 -9.539 -14.629 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.001 -8.903 -13.351 1.00 0.00 H new ATOM 0 HA3 GLY A 8 12.589 -10.334 -12.427 1.00 0.00 H new ATOM 112 N LEU A 9 14.392 -10.457 -14.809 1.00 0.00 N ATOM 113 CA LEU A 9 15.193 -11.252 -15.762 1.00 0.00 C ATOM 114 C LEU A 9 16.688 -11.370 -15.382 1.00 0.00 C ATOM 115 O LEU A 9 17.556 -11.433 -16.254 1.00 0.00 O ATOM 116 CB LEU A 9 14.897 -10.822 -17.222 1.00 0.00 C ATOM 117 CG LEU A 9 15.075 -9.344 -17.623 1.00 0.00 C ATOM 118 CD1 LEU A 9 16.526 -8.885 -17.732 1.00 0.00 C ATOM 119 CD2 LEU A 9 14.429 -9.096 -18.986 1.00 0.00 C ATOM 0 H LEU A 9 14.901 -9.663 -14.421 1.00 0.00 H new ATOM 0 HA LEU A 9 14.866 -12.289 -15.691 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.535 -11.418 -17.875 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.866 -11.100 -17.443 1.00 0.00 H new ATOM 0 HG LEU A 9 14.603 -8.778 -16.820 1.00 0.00 H new ATOM 0 HD11 LEU A 9 16.555 -7.834 -18.018 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.021 -9.012 -16.769 1.00 0.00 H new ATOM 0 HD13 LEU A 9 17.040 -9.481 -18.486 1.00 0.00 H new ATOM 0 HD21 LEU A 9 14.558 -8.050 -19.265 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.903 -9.732 -19.734 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.366 -9.329 -18.932 1.00 0.00 H new ATOM 131 N LEU A 10 16.991 -11.435 -14.073 1.00 0.00 N ATOM 132 CA LEU A 10 18.344 -11.722 -13.582 1.00 0.00 C ATOM 133 C LEU A 10 18.791 -13.085 -14.121 1.00 0.00 C ATOM 134 O LEU A 10 18.130 -14.103 -13.891 1.00 0.00 O ATOM 135 CB LEU A 10 18.410 -11.714 -12.040 1.00 0.00 C ATOM 136 CG LEU A 10 18.430 -10.312 -11.402 1.00 0.00 C ATOM 137 CD1 LEU A 10 17.830 -10.342 -9.998 1.00 0.00 C ATOM 138 CD2 LEU A 10 19.855 -9.771 -11.261 1.00 0.00 C ATOM 0 H LEU A 10 16.306 -11.290 -13.332 1.00 0.00 H new ATOM 0 HA LEU A 10 19.013 -10.938 -13.938 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.552 -12.263 -11.651 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.303 -12.254 -11.726 1.00 0.00 H new ATOM 0 HG LEU A 10 17.847 -9.672 -12.065 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.856 -9.340 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.798 -10.687 -10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.408 -11.020 -9.370 1.00 0.00 H new ATOM 0 HD21 LEU A 10 19.825 -8.781 -10.807 1.00 0.00 H new ATOM 0 HD22 LEU A 10 20.438 -10.442 -10.630 1.00 0.00 H new ATOM 0 HD23 LEU A 10 20.318 -9.705 -12.245 1.00 0.00 H new ATOM 150 N THR A 11 19.927 -13.082 -14.813 1.00 0.00 N ATOM 151 CA THR A 11 20.590 -14.286 -15.316 1.00 0.00 C ATOM 152 C THR A 11 22.047 -14.327 -14.862 1.00 0.00 C ATOM 153 O THR A 11 22.744 -13.310 -14.835 1.00 0.00 O ATOM 154 CB THR A 11 20.471 -14.395 -16.844 1.00 0.00 C ATOM 155 OG1 THR A 11 19.114 -14.591 -17.201 1.00 0.00 O ATOM 156 CG2 THR A 11 21.255 -15.577 -17.420 1.00 0.00 C ATOM 0 H THR A 11 20.425 -12.223 -15.046 1.00 0.00 H new ATOM 0 HA THR A 11 20.083 -15.153 -14.893 1.00 0.00 H new ATOM 0 HB THR A 11 20.878 -13.468 -17.248 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.039 -14.659 -18.176 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.133 -15.602 -18.503 1.00 0.00 H new ATOM 0 HG22 THR A 11 22.312 -15.466 -17.177 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.880 -16.506 -16.991 1.00 0.00 H new ATOM 164 N ASP A 12 22.509 -15.523 -14.511 1.00 0.00 N ATOM 165 CA ASP A 12 23.887 -15.857 -14.165 1.00 0.00 C ATOM 166 C ASP A 12 24.808 -15.884 -15.403 1.00 0.00 C ATOM 167 O ASP A 12 25.443 -16.894 -15.721 1.00 0.00 O ATOM 168 CB ASP A 12 23.906 -17.165 -13.350 1.00 0.00 C ATOM 169 CG ASP A 12 23.374 -18.397 -14.113 1.00 0.00 C ATOM 170 OD1 ASP A 12 24.072 -19.441 -14.149 1.00 0.00 O ATOM 171 OD2 ASP A 12 22.225 -18.357 -14.622 1.00 0.00 O ATOM 0 H ASP A 12 21.894 -16.335 -14.457 1.00 0.00 H new ATOM 0 HA ASP A 12 24.301 -15.070 -13.535 1.00 0.00 H new ATOM 0 HB2 ASP A 12 24.928 -17.365 -13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 12 23.310 -17.026 -12.448 1.00 0.00 H new ATOM 176 N HIS A 13 24.908 -14.752 -16.113 1.00 0.00 N ATOM 177 CA HIS A 13 25.846 -14.538 -17.227 1.00 0.00 C ATOM 178 C HIS A 13 27.263 -14.239 -16.692 1.00 0.00 C ATOM 179 O HIS A 13 27.946 -13.313 -17.134 1.00 0.00 O ATOM 180 CB HIS A 13 25.296 -13.464 -18.191 1.00 0.00 C ATOM 181 CG HIS A 13 24.144 -13.898 -19.068 1.00 0.00 C ATOM 182 ND1 HIS A 13 22.989 -13.146 -19.314 1.00 0.00 N ATOM 183 CD2 HIS A 13 24.107 -15.023 -19.841 1.00 0.00 C ATOM 184 CE1 HIS A 13 22.284 -13.836 -20.227 1.00 0.00 C ATOM 185 NE2 HIS A 13 22.929 -14.969 -20.556 1.00 0.00 N ATOM 0 H HIS A 13 24.324 -13.937 -15.925 1.00 0.00 H new ATOM 0 HA HIS A 13 25.939 -15.451 -17.815 1.00 0.00 H new ATOM 0 HB2 HIS A 13 24.977 -12.604 -17.603 1.00 0.00 H new ATOM 0 HB3 HIS A 13 26.110 -13.127 -18.833 1.00 0.00 H new ATOM 0 HD2 HIS A 13 24.854 -15.802 -19.884 1.00 0.00 H new ATOM 0 HE1 HIS A 13 21.335 -13.525 -20.638 1.00 0.00 H new ATOM 0 HE2 HIS A 13 22.602 -15.670 -21.221 1.00 0.00 H new ATOM 193 N THR A 14 27.696 -15.014 -15.691 1.00 0.00 N ATOM 194 CA THR A 14 28.941 -14.817 -14.945 1.00 0.00 C ATOM 195 C THR A 14 29.749 -16.120 -14.803 1.00 0.00 C ATOM 196 O THR A 14 29.182 -17.176 -14.517 1.00 0.00 O ATOM 197 CB THR A 14 28.687 -14.158 -13.575 1.00 0.00 C ATOM 198 OG1 THR A 14 27.852 -14.952 -12.768 1.00 0.00 O ATOM 199 CG2 THR A 14 27.999 -12.796 -13.653 1.00 0.00 C ATOM 0 H THR A 14 27.169 -15.825 -15.368 1.00 0.00 H new ATOM 0 HA THR A 14 29.550 -14.129 -15.531 1.00 0.00 H new ATOM 0 HB THR A 14 29.688 -14.044 -13.158 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.827 -14.583 -11.861 1.00 0.00 H new ATOM 0 HG21 THR A 14 27.857 -12.402 -12.647 1.00 0.00 H new ATOM 0 HG22 THR A 14 28.618 -12.108 -14.229 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.030 -12.905 -14.139 1.00 0.00 H new ATOM 207 N VAL A 15 31.074 -16.067 -15.035 1.00 0.00 N ATOM 208 CA VAL A 15 31.961 -17.258 -15.156 1.00 0.00 C ATOM 209 C VAL A 15 33.286 -17.142 -14.371 1.00 0.00 C ATOM 210 O VAL A 15 34.319 -17.696 -14.758 1.00 0.00 O ATOM 211 CB VAL A 15 32.185 -17.664 -16.635 1.00 0.00 C ATOM 212 CG1 VAL A 15 30.854 -18.064 -17.281 1.00 0.00 C ATOM 213 CG2 VAL A 15 32.832 -16.589 -17.515 1.00 0.00 C ATOM 0 H VAL A 15 31.574 -15.185 -15.147 1.00 0.00 H new ATOM 0 HA VAL A 15 31.420 -18.071 -14.672 1.00 0.00 H new ATOM 0 HB VAL A 15 32.886 -18.497 -16.586 1.00 0.00 H new ATOM 0 HG11 VAL A 15 31.024 -18.347 -18.320 1.00 0.00 H new ATOM 0 HG12 VAL A 15 30.426 -18.908 -16.740 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.163 -17.221 -17.243 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.946 -16.970 -18.530 1.00 0.00 H new ATOM 0 HG22 VAL A 15 32.200 -15.701 -17.529 1.00 0.00 H new ATOM 0 HG23 VAL A 15 33.811 -16.330 -17.113 1.00 0.00 H new ATOM 223 N SER A 16 33.239 -16.450 -13.229 1.00 0.00 N ATOM 224 CA SER A 16 34.391 -16.135 -12.357 1.00 0.00 C ATOM 225 C SER A 16 34.196 -16.671 -10.934 1.00 0.00 C ATOM 226 O SER A 16 33.071 -16.720 -10.450 1.00 0.00 O ATOM 227 CB SER A 16 34.616 -14.618 -12.366 1.00 0.00 C ATOM 228 OG SER A 16 35.220 -14.172 -11.163 1.00 0.00 O ATOM 0 H SER A 16 32.363 -16.075 -12.865 1.00 0.00 H new ATOM 0 HA SER A 16 35.279 -16.634 -12.746 1.00 0.00 H new ATOM 0 HB2 SER A 16 35.248 -14.348 -13.212 1.00 0.00 H new ATOM 0 HB3 SER A 16 33.662 -14.109 -12.505 1.00 0.00 H new ATOM 0 HG SER A 16 36.142 -13.892 -11.344 1.00 0.00 H new ATOM 234 N SER A 17 35.277 -17.002 -10.220 1.00 0.00 N ATOM 235 CA SER A 17 35.229 -17.480 -8.824 1.00 0.00 C ATOM 236 C SER A 17 34.576 -16.481 -7.852 1.00 0.00 C ATOM 237 O SER A 17 33.885 -16.890 -6.917 1.00 0.00 O ATOM 238 CB SER A 17 36.646 -17.816 -8.347 1.00 0.00 C ATOM 239 OG SER A 17 37.498 -16.685 -8.476 1.00 0.00 O ATOM 0 H SER A 17 36.224 -16.947 -10.595 1.00 0.00 H new ATOM 0 HA SER A 17 34.600 -18.370 -8.821 1.00 0.00 H new ATOM 0 HB2 SER A 17 36.618 -18.140 -7.307 1.00 0.00 H new ATOM 0 HB3 SER A 17 37.044 -18.647 -8.930 1.00 0.00 H new ATOM 0 HG SER A 17 38.398 -16.916 -8.165 1.00 0.00 H new ATOM 245 N ILE A 18 34.735 -15.175 -8.104 1.00 0.00 N ATOM 246 CA ILE A 18 34.017 -14.076 -7.425 1.00 0.00 C ATOM 247 C ILE A 18 32.763 -13.651 -8.200 1.00 0.00 C ATOM 248 O ILE A 18 31.711 -13.457 -7.600 1.00 0.00 O ATOM 249 CB ILE A 18 34.943 -12.865 -7.131 1.00 0.00 C ATOM 250 CG1 ILE A 18 36.087 -12.745 -8.159 1.00 0.00 C ATOM 251 CG2 ILE A 18 35.497 -12.962 -5.701 1.00 0.00 C ATOM 252 CD1 ILE A 18 36.820 -11.413 -8.216 1.00 0.00 C ATOM 0 H ILE A 18 35.389 -14.837 -8.810 1.00 0.00 H new ATOM 0 HA ILE A 18 33.688 -14.466 -6.462 1.00 0.00 H new ATOM 0 HB ILE A 18 34.344 -11.959 -7.220 1.00 0.00 H new ATOM 0 HG12 ILE A 18 36.817 -13.526 -7.947 1.00 0.00 H new ATOM 0 HG13 ILE A 18 35.678 -12.950 -9.148 1.00 0.00 H new ATOM 0 HG21 ILE A 18 36.146 -12.109 -5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 18 34.671 -12.962 -4.990 1.00 0.00 H new ATOM 0 HG23 ILE A 18 36.068 -13.884 -5.594 1.00 0.00 H new ATOM 0 HD11 ILE A 18 37.599 -11.459 -8.977 1.00 0.00 H new ATOM 0 HD12 ILE A 18 36.115 -10.620 -8.466 1.00 0.00 H new ATOM 0 HD13 ILE A 18 37.272 -11.205 -7.246 1.00 0.00 H new ATOM 264 N GLY A 19 32.815 -13.540 -9.531 1.00 0.00 N ATOM 265 CA GLY A 19 31.677 -13.042 -10.325 1.00 0.00 C ATOM 266 C GLY A 19 30.457 -13.978 -10.335 1.00 0.00 C ATOM 267 O GLY A 19 29.320 -13.515 -10.415 1.00 0.00 O ATOM 0 H GLY A 19 33.634 -13.788 -10.087 1.00 0.00 H new ATOM 0 HA2 GLY A 19 31.373 -12.071 -9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 19 32.007 -12.883 -11.352 1.00 0.00 H new ATOM 271 N HIS A 20 30.667 -15.286 -10.168 1.00 0.00 N ATOM 272 CA HIS A 20 29.602 -16.285 -9.967 1.00 0.00 C ATOM 273 C HIS A 20 28.904 -16.100 -8.609 1.00 0.00 C ATOM 274 O HIS A 20 27.685 -16.216 -8.502 1.00 0.00 O ATOM 275 CB HIS A 20 30.220 -17.688 -10.082 1.00 0.00 C ATOM 276 CG HIS A 20 29.269 -18.845 -9.891 1.00 0.00 C ATOM 277 ND1 HIS A 20 29.591 -20.017 -9.273 1.00 0.00 N flip ATOM 278 CD2 HIS A 20 27.960 -18.935 -10.369 1.00 0.00 C flip ATOM 279 CE1 HIS A 20 28.481 -20.832 -9.370 1.00 0.00 C flip ATOM 280 NE2 HIS A 20 27.527 -20.165 -10.044 1.00 0.00 N flip ATOM 0 H HIS A 20 31.602 -15.694 -10.168 1.00 0.00 H new ATOM 0 HA HIS A 20 28.837 -16.154 -10.733 1.00 0.00 H new ATOM 0 HB2 HIS A 20 30.682 -17.781 -11.065 1.00 0.00 H new ATOM 0 HB3 HIS A 20 31.019 -17.774 -9.345 1.00 0.00 H new ATOM 0 HD2 HIS A 20 27.407 -18.170 -10.894 1.00 0.00 H new ATOM 0 HE1 HIS A 20 28.394 -21.833 -8.973 1.00 0.00 H new ATOM 0 HE2 HIS A 20 26.607 -20.539 -10.275 1.00 0.00 H new ATOM 288 N ASP A 21 29.660 -15.734 -7.568 1.00 0.00 N ATOM 289 CA ASP A 21 29.101 -15.406 -6.255 1.00 0.00 C ATOM 290 C ASP A 21 28.414 -14.036 -6.242 1.00 0.00 C ATOM 291 O ASP A 21 27.384 -13.901 -5.585 1.00 0.00 O ATOM 292 CB ASP A 21 30.175 -15.546 -5.164 1.00 0.00 C ATOM 293 CG ASP A 21 30.209 -16.989 -4.644 1.00 0.00 C ATOM 294 OD1 ASP A 21 29.547 -17.277 -3.619 1.00 0.00 O ATOM 295 OD2 ASP A 21 30.764 -17.888 -5.317 1.00 0.00 O ATOM 0 H ASP A 21 30.676 -15.657 -7.614 1.00 0.00 H new ATOM 0 HA ASP A 21 28.314 -16.127 -6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.151 -15.272 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.964 -14.860 -4.344 1.00 0.00 H new ATOM 300 N PHE A 22 28.902 -13.040 -7.002 1.00 0.00 N ATOM 301 CA PHE A 22 28.237 -11.734 -7.130 1.00 0.00 C ATOM 302 C PHE A 22 26.795 -11.890 -7.600 1.00 0.00 C ATOM 303 O PHE A 22 25.914 -11.268 -7.023 1.00 0.00 O ATOM 304 CB PHE A 22 29.003 -10.812 -8.092 1.00 0.00 C ATOM 305 CG PHE A 22 28.433 -9.402 -8.166 1.00 0.00 C ATOM 306 CD1 PHE A 22 28.963 -8.361 -7.380 1.00 0.00 C ATOM 307 CD2 PHE A 22 27.336 -9.136 -9.008 1.00 0.00 C ATOM 308 CE1 PHE A 22 28.421 -7.065 -7.462 1.00 0.00 C ATOM 309 CE2 PHE A 22 26.773 -7.852 -9.070 1.00 0.00 C ATOM 310 CZ PHE A 22 27.327 -6.812 -8.308 1.00 0.00 C ATOM 0 H PHE A 22 29.764 -13.118 -7.542 1.00 0.00 H new ATOM 0 HA PHE A 22 28.232 -11.278 -6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 22 30.045 -10.758 -7.778 1.00 0.00 H new ATOM 0 HB3 PHE A 22 28.993 -11.252 -9.089 1.00 0.00 H new ATOM 0 HD1 PHE A 22 29.788 -8.558 -6.712 1.00 0.00 H new ATOM 0 HD2 PHE A 22 26.923 -9.930 -9.613 1.00 0.00 H new ATOM 0 HE1 PHE A 22 28.846 -6.264 -6.875 1.00 0.00 H new ATOM 0 HE2 PHE A 22 25.917 -7.665 -9.701 1.00 0.00 H new ATOM 0 HZ PHE A 22 26.913 -5.817 -8.371 1.00 0.00 H new ATOM 320 N TYR A 23 26.542 -12.754 -8.590 1.00 0.00 N ATOM 321 CA TYR A 23 25.183 -13.045 -9.063 1.00 0.00 C ATOM 322 C TYR A 23 24.237 -13.411 -7.905 1.00 0.00 C ATOM 323 O TYR A 23 23.207 -12.764 -7.704 1.00 0.00 O ATOM 324 CB TYR A 23 25.209 -14.183 -10.095 1.00 0.00 C ATOM 325 CG TYR A 23 23.816 -14.560 -10.551 1.00 0.00 C ATOM 326 CD1 TYR A 23 23.180 -15.702 -10.029 1.00 0.00 C ATOM 327 CD2 TYR A 23 23.116 -13.699 -11.411 1.00 0.00 C ATOM 328 CE1 TYR A 23 21.834 -15.970 -10.344 1.00 0.00 C ATOM 329 CE2 TYR A 23 21.766 -13.948 -11.709 1.00 0.00 C ATOM 330 CZ TYR A 23 21.119 -15.084 -11.180 1.00 0.00 C ATOM 331 OH TYR A 23 19.815 -15.319 -11.488 1.00 0.00 O ATOM 0 H TYR A 23 27.270 -13.269 -9.084 1.00 0.00 H new ATOM 0 HA TYR A 23 24.801 -12.138 -9.531 1.00 0.00 H new ATOM 0 HB2 TYR A 23 25.804 -13.879 -10.956 1.00 0.00 H new ATOM 0 HB3 TYR A 23 25.698 -15.055 -9.662 1.00 0.00 H new ATOM 0 HD1 TYR A 23 23.726 -16.375 -9.385 1.00 0.00 H new ATOM 0 HD2 TYR A 23 23.616 -12.845 -11.844 1.00 0.00 H new ATOM 0 HE1 TYR A 23 21.350 -16.850 -9.948 1.00 0.00 H new ATOM 0 HE2 TYR A 23 21.221 -13.267 -12.346 1.00 0.00 H new ATOM 0 HH TYR A 23 19.606 -14.916 -12.357 1.00 0.00 H new ATOM 341 N ARG A 24 24.633 -14.420 -7.118 1.00 0.00 N ATOM 342 CA ARG A 24 23.822 -14.998 -6.035 1.00 0.00 C ATOM 343 C ARG A 24 23.679 -14.035 -4.858 1.00 0.00 C ATOM 344 O ARG A 24 22.581 -13.829 -4.345 1.00 0.00 O ATOM 345 CB ARG A 24 24.434 -16.340 -5.594 1.00 0.00 C ATOM 346 CG ARG A 24 24.459 -17.341 -6.761 1.00 0.00 C ATOM 347 CD ARG A 24 24.833 -18.774 -6.345 1.00 0.00 C ATOM 348 NE ARG A 24 26.246 -19.070 -6.664 1.00 0.00 N ATOM 349 CZ ARG A 24 27.317 -18.834 -5.930 1.00 0.00 C ATOM 350 NH1 ARG A 24 27.255 -18.385 -4.711 1.00 0.00 N ATOM 351 NH2 ARG A 24 28.498 -19.027 -6.429 1.00 0.00 N ATOM 0 H ARG A 24 25.544 -14.867 -7.217 1.00 0.00 H new ATOM 0 HA ARG A 24 22.815 -15.176 -6.413 1.00 0.00 H new ATOM 0 HB2 ARG A 24 25.447 -16.179 -5.226 1.00 0.00 H new ATOM 0 HB3 ARG A 24 23.857 -16.753 -4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 24 23.478 -17.355 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 24 25.170 -16.993 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 24 24.664 -18.901 -5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 24 24.185 -19.485 -6.857 1.00 0.00 H new ATOM 0 HE ARG A 24 26.415 -19.513 -7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 24 26.349 -18.199 -4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 24 28.113 -18.219 -4.185 1.00 0.00 H new ATOM 0 HH21 ARG A 24 28.598 -19.361 -7.388 1.00 0.00 H new ATOM 0 HH22 ARG A 24 29.327 -18.845 -5.863 1.00 0.00 H new ATOM 365 N ALA A 25 24.780 -13.395 -4.473 1.00 0.00 N ATOM 366 CA ALA A 25 24.797 -12.395 -3.408 1.00 0.00 C ATOM 367 C ALA A 25 23.967 -11.154 -3.769 1.00 0.00 C ATOM 368 O ALA A 25 23.200 -10.678 -2.938 1.00 0.00 O ATOM 369 CB ALA A 25 26.255 -12.033 -3.108 1.00 0.00 C ATOM 0 H ALA A 25 25.694 -13.557 -4.895 1.00 0.00 H new ATOM 0 HA ALA A 25 24.332 -12.813 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 25 26.289 -11.287 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 25 26.793 -12.926 -2.790 1.00 0.00 H new ATOM 0 HB3 ALA A 25 26.722 -11.629 -4.006 1.00 0.00 H new ATOM 375 N PHE A 26 24.061 -10.650 -5.002 1.00 0.00 N ATOM 376 CA PHE A 26 23.249 -9.526 -5.465 1.00 0.00 C ATOM 377 C PHE A 26 21.760 -9.896 -5.437 1.00 0.00 C ATOM 378 O PHE A 26 20.971 -9.193 -4.809 1.00 0.00 O ATOM 379 CB PHE A 26 23.729 -9.086 -6.861 1.00 0.00 C ATOM 380 CG PHE A 26 22.950 -7.944 -7.501 1.00 0.00 C ATOM 381 CD1 PHE A 26 21.654 -8.164 -8.011 1.00 0.00 C ATOM 382 CD2 PHE A 26 23.527 -6.664 -7.624 1.00 0.00 C ATOM 383 CE1 PHE A 26 20.936 -7.118 -8.609 1.00 0.00 C ATOM 384 CE2 PHE A 26 22.814 -5.619 -8.245 1.00 0.00 C ATOM 385 CZ PHE A 26 21.514 -5.847 -8.733 1.00 0.00 C ATOM 0 H PHE A 26 24.704 -11.011 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 26 23.370 -8.675 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 26 24.776 -8.791 -6.788 1.00 0.00 H new ATOM 0 HB3 PHE A 26 23.687 -9.948 -7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 26 21.210 -9.146 -7.941 1.00 0.00 H new ATOM 0 HD2 PHE A 26 24.520 -6.483 -7.241 1.00 0.00 H new ATOM 0 HE1 PHE A 26 19.935 -7.292 -8.975 1.00 0.00 H new ATOM 0 HE2 PHE A 26 23.265 -4.643 -8.346 1.00 0.00 H new ATOM 0 HZ PHE A 26 20.963 -5.045 -9.202 1.00 0.00 H new ATOM 395 N SER A 27 21.370 -11.016 -6.053 1.00 0.00 N ATOM 396 CA SER A 27 19.960 -11.425 -6.154 1.00 0.00 C ATOM 397 C SER A 27 19.329 -11.758 -4.791 1.00 0.00 C ATOM 398 O SER A 27 18.133 -11.527 -4.599 1.00 0.00 O ATOM 399 CB SER A 27 19.788 -12.596 -7.128 1.00 0.00 C ATOM 400 OG SER A 27 20.357 -13.791 -6.622 1.00 0.00 O ATOM 0 H SER A 27 22.019 -11.666 -6.496 1.00 0.00 H new ATOM 0 HA SER A 27 19.424 -10.561 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.727 -12.753 -7.323 1.00 0.00 H new ATOM 0 HB3 SER A 27 20.254 -12.347 -8.081 1.00 0.00 H new ATOM 0 HG SER A 27 21.006 -13.573 -5.921 1.00 0.00 H new ATOM 406 N ASP A 28 20.125 -12.211 -3.816 1.00 0.00 N ATOM 407 CA ASP A 28 19.695 -12.455 -2.435 1.00 0.00 C ATOM 408 C ASP A 28 19.245 -11.175 -1.700 1.00 0.00 C ATOM 409 O ASP A 28 18.332 -11.251 -0.872 1.00 0.00 O ATOM 410 CB ASP A 28 20.837 -13.129 -1.648 1.00 0.00 C ATOM 411 CG ASP A 28 20.891 -14.668 -1.759 1.00 0.00 C ATOM 412 OD1 ASP A 28 21.957 -15.247 -1.433 1.00 0.00 O ATOM 413 OD2 ASP A 28 19.864 -15.321 -2.072 1.00 0.00 O ATOM 0 H ASP A 28 21.111 -12.423 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 28 18.825 -13.110 -2.488 1.00 0.00 H new ATOM 0 HB2 ASP A 28 21.786 -12.722 -1.996 1.00 0.00 H new ATOM 0 HB3 ASP A 28 20.741 -12.859 -0.596 1.00 0.00 H new ATOM 418 N LYS A 29 19.852 -10.010 -1.996 1.00 0.00 N ATOM 419 CA LYS A 29 19.472 -8.701 -1.410 1.00 0.00 C ATOM 420 C LYS A 29 18.820 -7.705 -2.391 1.00 0.00 C ATOM 421 O LYS A 29 18.465 -6.595 -1.992 1.00 0.00 O ATOM 422 CB LYS A 29 20.597 -8.078 -0.543 1.00 0.00 C ATOM 423 CG LYS A 29 22.057 -8.487 -0.818 1.00 0.00 C ATOM 424 CD LYS A 29 22.526 -9.792 -0.141 1.00 0.00 C ATOM 425 CE LYS A 29 22.480 -9.714 1.396 1.00 0.00 C ATOM 426 NZ LYS A 29 23.008 -10.955 2.039 1.00 0.00 N ATOM 0 H LYS A 29 20.628 -9.946 -2.655 1.00 0.00 H new ATOM 0 HA LYS A 29 18.660 -8.941 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.532 -6.995 -0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 29 20.379 -8.312 0.499 1.00 0.00 H new ATOM 0 HG2 LYS A 29 22.189 -8.590 -1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 29 22.709 -7.676 -0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 29 21.898 -10.617 -0.478 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.544 -10.016 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.062 -8.856 1.732 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.452 -9.548 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 22.958 -10.858 3.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.437 -11.771 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 23.997 -11.101 1.752 1.00 0.00 H new ATOM 440 N TRP A 30 18.614 -8.090 -3.650 1.00 0.00 N ATOM 441 CA TRP A 30 17.993 -7.244 -4.675 1.00 0.00 C ATOM 442 C TRP A 30 16.522 -6.900 -4.368 1.00 0.00 C ATOM 443 O TRP A 30 15.700 -7.781 -4.100 1.00 0.00 O ATOM 444 CB TRP A 30 18.115 -7.899 -6.054 1.00 0.00 C ATOM 445 CG TRP A 30 17.485 -7.091 -7.143 1.00 0.00 C ATOM 446 CD1 TRP A 30 16.429 -7.467 -7.898 1.00 0.00 C ATOM 447 CD2 TRP A 30 17.801 -5.726 -7.550 1.00 0.00 C ATOM 448 NE1 TRP A 30 16.074 -6.434 -8.744 1.00 0.00 N ATOM 449 CE2 TRP A 30 16.879 -5.330 -8.562 1.00 0.00 C ATOM 450 CE3 TRP A 30 18.766 -4.775 -7.149 1.00 0.00 C ATOM 451 CZ2 TRP A 30 16.918 -4.061 -9.155 1.00 0.00 C ATOM 452 CZ3 TRP A 30 18.802 -3.494 -7.724 1.00 0.00 C ATOM 453 CH2 TRP A 30 17.887 -3.135 -8.729 1.00 0.00 C ATOM 0 H TRP A 30 18.877 -9.013 -3.994 1.00 0.00 H new ATOM 0 HA TRP A 30 18.538 -6.300 -4.672 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.169 -8.051 -6.286 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.650 -8.884 -6.025 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.938 -8.428 -7.848 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.311 -6.482 -9.419 1.00 0.00 H new ATOM 0 HE3 TRP A 30 19.487 -5.037 -6.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.213 -3.797 -9.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 19.539 -2.778 -7.391 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.928 -2.151 -9.173 1.00 0.00 H new ATOM 464 N GLU A 31 16.199 -5.605 -4.441 1.00 0.00 N ATOM 465 CA GLU A 31 14.854 -5.031 -4.330 1.00 0.00 C ATOM 466 C GLU A 31 14.872 -3.616 -4.941 1.00 0.00 C ATOM 467 O GLU A 31 15.770 -2.826 -4.631 1.00 0.00 O ATOM 468 CB GLU A 31 14.434 -4.993 -2.847 1.00 0.00 C ATOM 469 CG GLU A 31 13.023 -4.439 -2.605 1.00 0.00 C ATOM 470 CD GLU A 31 13.014 -2.925 -2.299 1.00 0.00 C ATOM 471 OE1 GLU A 31 13.511 -2.518 -1.219 1.00 0.00 O ATOM 472 OE2 GLU A 31 12.471 -2.137 -3.109 1.00 0.00 O ATOM 0 H GLU A 31 16.910 -4.888 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 31 14.129 -5.640 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.490 -6.002 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 31 15.150 -4.385 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.408 -4.630 -3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.566 -4.975 -1.773 1.00 0.00 H new ATOM 479 N SER A 32 13.906 -3.293 -5.812 1.00 0.00 N ATOM 480 CA SER A 32 13.768 -1.951 -6.401 1.00 0.00 C ATOM 481 C SER A 32 12.314 -1.572 -6.733 1.00 0.00 C ATOM 482 O SER A 32 11.435 -2.433 -6.836 1.00 0.00 O ATOM 483 CB SER A 32 14.647 -1.812 -7.634 1.00 0.00 C ATOM 484 OG SER A 32 14.903 -0.432 -7.839 1.00 0.00 O ATOM 0 H SER A 32 13.197 -3.954 -6.129 1.00 0.00 H new ATOM 0 HA SER A 32 14.102 -1.250 -5.636 1.00 0.00 H new ATOM 0 HB2 SER A 32 15.581 -2.357 -7.499 1.00 0.00 H new ATOM 0 HB3 SER A 32 14.152 -2.241 -8.505 1.00 0.00 H new ATOM 0 HG SER A 32 15.089 -0.271 -8.788 1.00 0.00 H new ATOM 490 N ASP A 33 12.061 -0.270 -6.913 1.00 0.00 N ATOM 491 CA ASP A 33 10.715 0.295 -7.117 1.00 0.00 C ATOM 492 C ASP A 33 10.185 0.150 -8.562 1.00 0.00 C ATOM 493 O ASP A 33 8.974 0.037 -8.778 1.00 0.00 O ATOM 494 CB ASP A 33 10.733 1.772 -6.702 1.00 0.00 C ATOM 495 CG ASP A 33 9.320 2.381 -6.723 1.00 0.00 C ATOM 496 OD1 ASP A 33 8.991 3.128 -7.676 1.00 0.00 O ATOM 497 OD2 ASP A 33 8.543 2.131 -5.770 1.00 0.00 O ATOM 0 H ASP A 33 12.797 0.436 -6.922 1.00 0.00 H new ATOM 0 HA ASP A 33 10.027 -0.279 -6.496 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.155 1.865 -5.701 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.382 2.332 -7.375 1.00 0.00 H new ATOM 502 N TYR A 34 11.090 0.139 -9.548 1.00 0.00 N ATOM 503 CA TYR A 34 10.781 -0.019 -10.976 1.00 0.00 C ATOM 504 C TYR A 34 10.537 -1.500 -11.367 1.00 0.00 C ATOM 505 O TYR A 34 10.433 -2.389 -10.519 1.00 0.00 O ATOM 506 CB TYR A 34 11.886 0.658 -11.817 1.00 0.00 C ATOM 507 CG TYR A 34 13.137 -0.181 -11.994 1.00 0.00 C ATOM 508 CD1 TYR A 34 13.434 -0.776 -13.237 1.00 0.00 C ATOM 509 CD2 TYR A 34 13.972 -0.423 -10.893 1.00 0.00 C ATOM 510 CE1 TYR A 34 14.531 -1.648 -13.354 1.00 0.00 C ATOM 511 CE2 TYR A 34 15.060 -1.305 -10.998 1.00 0.00 C ATOM 512 CZ TYR A 34 15.347 -1.921 -12.233 1.00 0.00 C ATOM 513 OH TYR A 34 16.400 -2.769 -12.346 1.00 0.00 O ATOM 0 H TYR A 34 12.089 0.243 -9.369 1.00 0.00 H new ATOM 0 HA TYR A 34 9.838 0.483 -11.191 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.482 0.899 -12.800 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.159 1.602 -11.345 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.819 -0.562 -14.099 1.00 0.00 H new ATOM 0 HD2 TYR A 34 13.776 0.074 -9.955 1.00 0.00 H new ATOM 0 HE1 TYR A 34 14.751 -2.111 -14.305 1.00 0.00 H new ATOM 0 HE2 TYR A 34 15.675 -1.511 -10.135 1.00 0.00 H new ATOM 0 HH TYR A 34 16.845 -2.856 -11.477 1.00 0.00 H new ATOM 523 N THR A 35 10.456 -1.781 -12.673 1.00 0.00 N ATOM 524 CA THR A 35 10.068 -3.085 -13.252 1.00 0.00 C ATOM 525 C THR A 35 11.145 -4.177 -13.111 1.00 0.00 C ATOM 526 O THR A 35 10.905 -5.322 -13.474 1.00 0.00 O ATOM 527 CB THR A 35 9.656 -2.907 -14.733 1.00 0.00 C ATOM 528 OG1 THR A 35 9.107 -1.617 -14.958 1.00 0.00 O ATOM 529 CG2 THR A 35 8.588 -3.910 -15.178 1.00 0.00 C ATOM 0 H THR A 35 10.666 -1.084 -13.388 1.00 0.00 H new ATOM 0 HA THR A 35 9.216 -3.438 -12.671 1.00 0.00 H new ATOM 0 HB THR A 35 10.573 -3.062 -15.302 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.856 -1.528 -15.901 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.339 -3.736 -16.225 1.00 0.00 H new ATOM 0 HG22 THR A 35 8.969 -4.924 -15.059 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.694 -3.784 -14.567 1.00 0.00 H new ATOM 537 N GLY A 36 12.341 -3.873 -12.589 1.00 0.00 N ATOM 538 CA GLY A 36 13.342 -4.885 -12.205 1.00 0.00 C ATOM 539 C GLY A 36 13.925 -5.716 -13.347 1.00 0.00 C ATOM 540 O GLY A 36 14.406 -6.827 -13.134 1.00 0.00 O ATOM 0 H GLY A 36 12.645 -2.914 -12.419 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.162 -4.381 -11.693 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.886 -5.564 -11.484 1.00 0.00 H new ATOM 544 N ASN A 37 13.894 -5.204 -14.579 1.00 0.00 N ATOM 545 CA ASN A 37 14.355 -5.928 -15.770 1.00 0.00 C ATOM 546 C ASN A 37 15.874 -5.800 -15.980 1.00 0.00 C ATOM 547 O ASN A 37 16.337 -5.193 -16.943 1.00 0.00 O ATOM 548 CB ASN A 37 13.544 -5.500 -16.999 1.00 0.00 C ATOM 549 CG ASN A 37 12.044 -5.704 -16.880 1.00 0.00 C ATOM 550 OD1 ASN A 37 11.263 -4.777 -17.011 1.00 0.00 O ATOM 551 ND2 ASN A 37 11.591 -6.919 -16.654 1.00 0.00 N ATOM 0 H ASN A 37 13.546 -4.267 -14.782 1.00 0.00 H new ATOM 0 HA ASN A 37 14.176 -6.992 -15.613 1.00 0.00 H new ATOM 0 HB2 ASN A 37 13.738 -4.445 -17.194 1.00 0.00 H new ATOM 0 HB3 ASN A 37 13.904 -6.056 -17.865 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.587 -7.085 -16.589 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.244 -7.695 -16.544 1.00 0.00 H new ATOM 558 N LEU A 38 16.649 -6.374 -15.064 1.00 0.00 N ATOM 559 CA LEU A 38 18.121 -6.326 -15.050 1.00 0.00 C ATOM 560 C LEU A 38 18.801 -7.699 -15.091 1.00 0.00 C ATOM 561 O LEU A 38 18.262 -8.672 -14.575 1.00 0.00 O ATOM 562 CB LEU A 38 18.633 -5.487 -13.864 1.00 0.00 C ATOM 563 CG LEU A 38 18.718 -6.188 -12.489 1.00 0.00 C ATOM 564 CD1 LEU A 38 19.243 -5.210 -11.451 1.00 0.00 C ATOM 565 CD2 LEU A 38 17.381 -6.685 -11.947 1.00 0.00 C ATOM 0 H LEU A 38 16.264 -6.904 -14.282 1.00 0.00 H new ATOM 0 HA LEU A 38 18.405 -5.838 -15.983 1.00 0.00 H new ATOM 0 HB2 LEU A 38 19.626 -5.116 -14.116 1.00 0.00 H new ATOM 0 HB3 LEU A 38 17.985 -4.617 -13.760 1.00 0.00 H new ATOM 0 HG LEU A 38 19.370 -7.046 -12.654 1.00 0.00 H new ATOM 0 HD11 LEU A 38 19.303 -5.705 -10.482 1.00 0.00 H new ATOM 0 HD12 LEU A 38 20.235 -4.866 -11.744 1.00 0.00 H new ATOM 0 HD13 LEU A 38 18.569 -4.356 -11.381 1.00 0.00 H new ATOM 0 HD21 LEU A 38 17.536 -7.163 -10.980 1.00 0.00 H new ATOM 0 HD22 LEU A 38 16.700 -5.842 -11.831 1.00 0.00 H new ATOM 0 HD23 LEU A 38 16.951 -7.405 -12.643 1.00 0.00 H new ATOM 577 N THR A 39 20.016 -7.755 -15.639 1.00 0.00 N ATOM 578 CA THR A 39 20.887 -8.940 -15.634 1.00 0.00 C ATOM 579 C THR A 39 22.341 -8.578 -15.304 1.00 0.00 C ATOM 580 O THR A 39 22.740 -7.415 -15.392 1.00 0.00 O ATOM 581 CB THR A 39 20.768 -9.717 -16.948 1.00 0.00 C ATOM 582 OG1 THR A 39 21.315 -10.995 -16.719 1.00 0.00 O ATOM 583 CG2 THR A 39 21.478 -9.073 -18.134 1.00 0.00 C ATOM 0 H THR A 39 20.437 -6.956 -16.113 1.00 0.00 H new ATOM 0 HA THR A 39 20.544 -9.599 -14.836 1.00 0.00 H new ATOM 0 HB THR A 39 19.714 -9.743 -17.223 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.069 -11.142 -17.328 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.340 -9.692 -19.020 1.00 0.00 H new ATOM 0 HG22 THR A 39 21.060 -8.083 -18.314 1.00 0.00 H new ATOM 0 HG23 THR A 39 22.542 -8.983 -17.916 1.00 0.00 H new ATOM 591 N ILE A 40 23.132 -9.569 -14.888 1.00 0.00 N ATOM 592 CA ILE A 40 24.494 -9.408 -14.360 1.00 0.00 C ATOM 593 C ILE A 40 25.464 -10.137 -15.287 1.00 0.00 C ATOM 594 O ILE A 40 25.329 -11.334 -15.526 1.00 0.00 O ATOM 595 CB ILE A 40 24.582 -9.966 -12.924 1.00 0.00 C ATOM 596 CG1 ILE A 40 23.631 -9.205 -11.973 1.00 0.00 C ATOM 597 CG2 ILE A 40 26.022 -9.931 -12.364 1.00 0.00 C ATOM 598 CD1 ILE A 40 23.368 -9.980 -10.682 1.00 0.00 C ATOM 0 H ILE A 40 22.833 -10.544 -14.909 1.00 0.00 H new ATOM 0 HA ILE A 40 24.755 -8.351 -14.320 1.00 0.00 H new ATOM 0 HB ILE A 40 24.273 -11.010 -12.980 1.00 0.00 H new ATOM 0 HG12 ILE A 40 24.062 -8.234 -11.731 1.00 0.00 H new ATOM 0 HG13 ILE A 40 22.685 -9.016 -12.481 1.00 0.00 H new ATOM 0 HG21 ILE A 40 26.029 -10.334 -11.351 1.00 0.00 H new ATOM 0 HG22 ILE A 40 26.674 -10.532 -12.998 1.00 0.00 H new ATOM 0 HG23 ILE A 40 26.381 -8.902 -12.347 1.00 0.00 H new ATOM 0 HD11 ILE A 40 22.695 -9.407 -10.044 1.00 0.00 H new ATOM 0 HD12 ILE A 40 22.912 -10.941 -10.921 1.00 0.00 H new ATOM 0 HD13 ILE A 40 24.310 -10.146 -10.159 1.00 0.00 H new ATOM 610 N ASN A 41 26.474 -9.413 -15.760 1.00 0.00 N ATOM 611 CA ASN A 41 27.479 -9.892 -16.701 1.00 0.00 C ATOM 612 C ASN A 41 28.858 -9.742 -16.042 1.00 0.00 C ATOM 613 O ASN A 41 29.072 -8.771 -15.315 1.00 0.00 O ATOM 614 CB ASN A 41 27.373 -9.078 -18.011 1.00 0.00 C ATOM 615 CG ASN A 41 25.945 -8.864 -18.516 1.00 0.00 C ATOM 616 OD1 ASN A 41 25.430 -9.615 -19.332 1.00 0.00 O ATOM 617 ND2 ASN A 41 25.277 -7.826 -18.055 1.00 0.00 N ATOM 0 H ASN A 41 26.620 -8.441 -15.488 1.00 0.00 H new ATOM 0 HA ASN A 41 27.325 -10.942 -16.951 1.00 0.00 H new ATOM 0 HB2 ASN A 41 27.839 -8.105 -17.857 1.00 0.00 H new ATOM 0 HB3 ASN A 41 27.946 -9.587 -18.786 1.00 0.00 H new ATOM 0 HD21 ASN A 41 24.327 -7.646 -18.379 1.00 0.00 H new ATOM 0 HD22 ASN A 41 25.710 -7.202 -17.374 1.00 0.00 H new ATOM 624 N GLU A 42 29.807 -10.646 -16.289 1.00 0.00 N ATOM 625 CA GLU A 42 31.205 -10.427 -15.893 1.00 0.00 C ATOM 626 C GLU A 42 32.217 -10.738 -17.007 1.00 0.00 C ATOM 627 O GLU A 42 31.997 -11.632 -17.830 1.00 0.00 O ATOM 628 CB GLU A 42 31.519 -11.150 -14.576 1.00 0.00 C ATOM 629 CG GLU A 42 31.773 -12.651 -14.715 1.00 0.00 C ATOM 630 CD GLU A 42 33.221 -13.052 -15.021 1.00 0.00 C ATOM 631 OE1 GLU A 42 34.156 -12.254 -14.798 1.00 0.00 O ATOM 632 OE2 GLU A 42 33.384 -14.216 -15.444 1.00 0.00 O ATOM 0 H GLU A 42 29.637 -11.535 -16.760 1.00 0.00 H new ATOM 0 HA GLU A 42 31.320 -9.358 -15.716 1.00 0.00 H new ATOM 0 HB2 GLU A 42 32.396 -10.687 -14.124 1.00 0.00 H new ATOM 0 HB3 GLU A 42 30.688 -10.998 -13.887 1.00 0.00 H new ATOM 0 HG2 GLU A 42 31.467 -13.140 -13.790 1.00 0.00 H new ATOM 0 HG3 GLU A 42 31.132 -13.038 -15.507 1.00 0.00 H new ATOM 639 N ARG A 43 33.337 -10.006 -17.004 1.00 0.00 N ATOM 640 CA ARG A 43 34.520 -10.260 -17.834 1.00 0.00 C ATOM 641 C ARG A 43 35.668 -10.761 -16.948 1.00 0.00 C ATOM 642 O ARG A 43 36.163 -9.982 -16.126 1.00 0.00 O ATOM 643 CB ARG A 43 34.902 -8.978 -18.595 1.00 0.00 C ATOM 644 CG ARG A 43 36.101 -9.145 -19.550 1.00 0.00 C ATOM 645 CD ARG A 43 35.805 -9.989 -20.799 1.00 0.00 C ATOM 646 NE ARG A 43 34.787 -9.360 -21.669 1.00 0.00 N ATOM 647 CZ ARG A 43 34.978 -8.439 -22.600 1.00 0.00 C ATOM 648 NH1 ARG A 43 36.155 -7.944 -22.861 1.00 0.00 N ATOM 649 NH2 ARG A 43 33.973 -7.990 -23.297 1.00 0.00 N ATOM 0 H ARG A 43 33.448 -9.191 -16.401 1.00 0.00 H new ATOM 0 HA ARG A 43 34.304 -11.033 -18.572 1.00 0.00 H new ATOM 0 HB2 ARG A 43 34.039 -8.638 -19.168 1.00 0.00 H new ATOM 0 HB3 ARG A 43 35.133 -8.195 -17.873 1.00 0.00 H new ATOM 0 HG2 ARG A 43 36.439 -8.158 -19.865 1.00 0.00 H new ATOM 0 HG3 ARG A 43 36.924 -9.604 -19.003 1.00 0.00 H new ATOM 0 HD2 ARG A 43 36.725 -10.133 -21.365 1.00 0.00 H new ATOM 0 HD3 ARG A 43 35.460 -10.977 -20.495 1.00 0.00 H new ATOM 0 HE ARG A 43 33.825 -9.673 -21.536 1.00 0.00 H new ATOM 0 HH11 ARG A 43 36.971 -8.265 -22.340 1.00 0.00 H new ATOM 0 HH12 ARG A 43 36.261 -7.235 -23.587 1.00 0.00 H new ATOM 0 HH21 ARG A 43 33.033 -8.348 -23.126 1.00 0.00 H new ATOM 0 HH22 ARG A 43 34.126 -7.280 -24.013 1.00 0.00 H new ATOM 663 N PRO A 44 36.127 -12.011 -17.134 1.00 0.00 N ATOM 664 CA PRO A 44 37.219 -12.569 -16.352 1.00 0.00 C ATOM 665 C PRO A 44 38.558 -12.004 -16.849 1.00 0.00 C ATOM 666 O PRO A 44 38.894 -12.106 -18.033 1.00 0.00 O ATOM 667 CB PRO A 44 37.091 -14.085 -16.525 1.00 0.00 C ATOM 668 CG PRO A 44 36.461 -14.238 -17.906 1.00 0.00 C ATOM 669 CD PRO A 44 35.548 -13.026 -18.003 1.00 0.00 C ATOM 0 HA PRO A 44 37.178 -12.310 -15.294 1.00 0.00 H new ATOM 0 HB2 PRO A 44 38.062 -14.578 -16.471 1.00 0.00 H new ATOM 0 HB3 PRO A 44 36.466 -14.526 -15.748 1.00 0.00 H new ATOM 0 HG2 PRO A 44 37.213 -14.240 -18.695 1.00 0.00 H new ATOM 0 HG3 PRO A 44 35.904 -15.171 -17.994 1.00 0.00 H new ATOM 0 HD2 PRO A 44 35.484 -12.668 -19.031 1.00 0.00 H new ATOM 0 HD3 PRO A 44 34.535 -13.276 -17.689 1.00 0.00 H new ATOM 677 N SER A 45 39.329 -11.415 -15.932 1.00 0.00 N ATOM 678 CA SER A 45 40.576 -10.699 -16.221 1.00 0.00 C ATOM 679 C SER A 45 41.645 -11.101 -15.205 1.00 0.00 C ATOM 680 O SER A 45 41.773 -10.501 -14.135 1.00 0.00 O ATOM 681 CB SER A 45 40.333 -9.180 -16.215 1.00 0.00 C ATOM 682 OG SER A 45 39.439 -8.807 -17.257 1.00 0.00 O ATOM 0 H SER A 45 39.097 -11.423 -14.939 1.00 0.00 H new ATOM 0 HA SER A 45 40.931 -10.970 -17.215 1.00 0.00 H new ATOM 0 HB2 SER A 45 39.923 -8.877 -15.252 1.00 0.00 H new ATOM 0 HB3 SER A 45 41.280 -8.655 -16.337 1.00 0.00 H new ATOM 0 HG SER A 45 39.297 -7.838 -17.234 1.00 0.00 H new ATOM 688 N ALA A 46 42.434 -12.124 -15.550 1.00 0.00 N ATOM 689 CA ALA A 46 43.360 -12.814 -14.641 1.00 0.00 C ATOM 690 C ALA A 46 44.498 -11.941 -14.064 1.00 0.00 C ATOM 691 O ALA A 46 45.170 -12.349 -13.115 1.00 0.00 O ATOM 692 CB ALA A 46 43.905 -14.047 -15.373 1.00 0.00 C ATOM 0 H ALA A 46 42.448 -12.507 -16.495 1.00 0.00 H new ATOM 0 HA ALA A 46 42.794 -13.097 -13.754 1.00 0.00 H new ATOM 0 HB1 ALA A 46 44.597 -14.581 -14.721 1.00 0.00 H new ATOM 0 HB2 ALA A 46 43.079 -14.705 -15.642 1.00 0.00 H new ATOM 0 HB3 ALA A 46 44.427 -13.732 -16.277 1.00 0.00 H new ATOM 698 N ARG A 47 44.658 -10.710 -14.574 1.00 0.00 N ATOM 699 CA ARG A 47 45.455 -9.637 -13.950 1.00 0.00 C ATOM 700 C ARG A 47 45.075 -9.366 -12.484 1.00 0.00 C ATOM 701 O ARG A 47 45.954 -8.992 -11.707 1.00 0.00 O ATOM 702 CB ARG A 47 45.362 -8.358 -14.808 1.00 0.00 C ATOM 703 CG ARG A 47 43.953 -7.732 -14.847 1.00 0.00 C ATOM 704 CD ARG A 47 43.842 -6.605 -15.883 1.00 0.00 C ATOM 705 NE ARG A 47 44.675 -5.436 -15.525 1.00 0.00 N ATOM 706 CZ ARG A 47 45.075 -4.470 -16.336 1.00 0.00 C ATOM 707 NH1 ARG A 47 44.759 -4.443 -17.601 1.00 0.00 N ATOM 708 NH2 ARG A 47 45.808 -3.493 -15.886 1.00 0.00 N ATOM 0 H ARG A 47 44.227 -10.424 -15.453 1.00 0.00 H new ATOM 0 HA ARG A 47 46.490 -9.976 -13.918 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.066 -7.621 -14.421 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.673 -8.592 -15.826 1.00 0.00 H new ATOM 0 HG2 ARG A 47 43.221 -8.506 -15.076 1.00 0.00 H new ATOM 0 HG3 ARG A 47 43.705 -7.341 -13.860 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.146 -6.980 -16.860 1.00 0.00 H new ATOM 0 HD3 ARG A 47 42.801 -6.295 -15.970 1.00 0.00 H new ATOM 0 HE ARG A 47 44.972 -5.368 -14.552 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.183 -5.185 -17.999 1.00 0.00 H new ATOM 0 HH12 ARG A 47 45.088 -3.680 -18.193 1.00 0.00 H new ATOM 0 HH21 ARG A 47 46.078 -3.469 -14.903 1.00 0.00 H new ATOM 0 HH22 ARG A 47 46.113 -2.752 -16.517 1.00 0.00 H new ATOM 722 N ALA A 48 43.799 -9.558 -12.107 1.00 0.00 N ATOM 723 CA ALA A 48 43.351 -9.452 -10.711 1.00 0.00 C ATOM 724 C ALA A 48 42.035 -10.189 -10.366 1.00 0.00 C ATOM 725 O ALA A 48 41.926 -10.691 -9.249 1.00 0.00 O ATOM 726 CB ALA A 48 43.193 -7.967 -10.360 1.00 0.00 C ATOM 0 H ALA A 48 43.052 -9.791 -12.761 1.00 0.00 H new ATOM 0 HA ALA A 48 44.120 -9.950 -10.121 1.00 0.00 H new ATOM 0 HB1 ALA A 48 42.861 -7.871 -9.326 1.00 0.00 H new ATOM 0 HB2 ALA A 48 44.150 -7.460 -10.482 1.00 0.00 H new ATOM 0 HB3 ALA A 48 42.455 -7.513 -11.022 1.00 0.00 H new ATOM 732 N GLY A 49 41.034 -10.247 -11.257 1.00 0.00 N ATOM 733 CA GLY A 49 39.690 -10.730 -10.897 1.00 0.00 C ATOM 734 C GLY A 49 38.649 -10.621 -12.015 1.00 0.00 C ATOM 735 O GLY A 49 38.874 -11.118 -13.118 1.00 0.00 O ATOM 0 H GLY A 49 41.129 -9.966 -12.233 1.00 0.00 H new ATOM 0 HA2 GLY A 49 39.764 -11.773 -10.589 1.00 0.00 H new ATOM 0 HA3 GLY A 49 39.336 -10.167 -10.033 1.00 0.00 H new ATOM 739 N SER A 50 37.495 -10.005 -11.734 1.00 0.00 N ATOM 740 CA SER A 50 36.343 -9.936 -12.650 1.00 0.00 C ATOM 741 C SER A 50 35.764 -8.528 -12.792 1.00 0.00 C ATOM 742 O SER A 50 35.507 -7.832 -11.810 1.00 0.00 O ATOM 743 CB SER A 50 35.241 -10.908 -12.221 1.00 0.00 C ATOM 744 OG SER A 50 34.892 -10.753 -10.860 1.00 0.00 O ATOM 0 H SER A 50 37.329 -9.530 -10.847 1.00 0.00 H new ATOM 0 HA SER A 50 36.726 -10.225 -13.629 1.00 0.00 H new ATOM 0 HB2 SER A 50 34.358 -10.750 -12.841 1.00 0.00 H new ATOM 0 HB3 SER A 50 35.574 -11.931 -12.395 1.00 0.00 H new ATOM 0 HG SER A 50 34.185 -11.391 -10.629 1.00 0.00 H new ATOM 750 N TRP A 51 35.519 -8.100 -14.033 1.00 0.00 N ATOM 751 CA TRP A 51 34.821 -6.849 -14.334 1.00 0.00 C ATOM 752 C TRP A 51 33.319 -7.109 -14.388 1.00 0.00 C ATOM 753 O TRP A 51 32.841 -7.741 -15.325 1.00 0.00 O ATOM 754 CB TRP A 51 35.373 -6.234 -15.630 1.00 0.00 C ATOM 755 CG TRP A 51 36.189 -5.003 -15.408 1.00 0.00 C ATOM 756 CD1 TRP A 51 37.532 -4.909 -15.523 1.00 0.00 C ATOM 757 CD2 TRP A 51 35.724 -3.678 -15.014 1.00 0.00 C ATOM 758 NE1 TRP A 51 37.934 -3.623 -15.216 1.00 0.00 N ATOM 759 CE2 TRP A 51 36.856 -2.813 -14.921 1.00 0.00 C ATOM 760 CE3 TRP A 51 34.456 -3.123 -14.727 1.00 0.00 C ATOM 761 CZ2 TRP A 51 36.734 -1.456 -14.585 1.00 0.00 C ATOM 762 CZ3 TRP A 51 34.328 -1.764 -14.389 1.00 0.00 C ATOM 763 CH2 TRP A 51 35.457 -0.928 -14.331 1.00 0.00 C ATOM 0 H TRP A 51 35.803 -8.618 -14.865 1.00 0.00 H new ATOM 0 HA TRP A 51 34.995 -6.117 -13.546 1.00 0.00 H new ATOM 0 HB2 TRP A 51 35.984 -6.977 -16.143 1.00 0.00 H new ATOM 0 HB3 TRP A 51 34.541 -5.994 -16.291 1.00 0.00 H new ATOM 0 HD1 TRP A 51 38.190 -5.715 -15.811 1.00 0.00 H new ATOM 0 HE1 TRP A 51 38.905 -3.312 -15.208 1.00 0.00 H new ATOM 0 HE3 TRP A 51 33.577 -3.749 -14.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 37.609 -0.826 -14.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 33.351 -1.358 -14.171 1.00 0.00 H new ATOM 0 HH2 TRP A 51 35.343 0.119 -14.091 1.00 0.00 H new ATOM 774 N ILE A 52 32.584 -6.655 -13.373 1.00 0.00 N ATOM 775 CA ILE A 52 31.134 -6.826 -13.240 1.00 0.00 C ATOM 776 C ILE A 52 30.414 -5.679 -13.937 1.00 0.00 C ATOM 777 O ILE A 52 30.729 -4.517 -13.695 1.00 0.00 O ATOM 778 CB ILE A 52 30.718 -6.900 -11.753 1.00 0.00 C ATOM 779 CG1 ILE A 52 31.522 -7.948 -10.953 1.00 0.00 C ATOM 780 CG2 ILE A 52 29.208 -7.168 -11.613 1.00 0.00 C ATOM 781 CD1 ILE A 52 31.483 -9.365 -11.537 1.00 0.00 C ATOM 0 H ILE A 52 32.994 -6.140 -12.593 1.00 0.00 H new ATOM 0 HA ILE A 52 30.851 -7.766 -13.713 1.00 0.00 H new ATOM 0 HB ILE A 52 30.949 -5.925 -11.325 1.00 0.00 H new ATOM 0 HG12 ILE A 52 32.560 -7.622 -10.894 1.00 0.00 H new ATOM 0 HG13 ILE A 52 31.139 -7.979 -9.933 1.00 0.00 H new ATOM 0 HG21 ILE A 52 28.943 -7.215 -10.557 1.00 0.00 H new ATOM 0 HG22 ILE A 52 28.650 -6.363 -12.091 1.00 0.00 H new ATOM 0 HG23 ILE A 52 28.961 -8.116 -12.092 1.00 0.00 H new ATOM 0 HD11 ILE A 52 32.074 -10.033 -10.911 1.00 0.00 H new ATOM 0 HD12 ILE A 52 30.452 -9.717 -11.570 1.00 0.00 H new ATOM 0 HD13 ILE A 52 31.895 -9.354 -12.546 1.00 0.00 H new ATOM 793 N THR A 53 29.407 -6.009 -14.742 1.00 0.00 N ATOM 794 CA THR A 53 28.617 -5.051 -15.526 1.00 0.00 C ATOM 795 C THR A 53 27.145 -5.441 -15.450 1.00 0.00 C ATOM 796 O THR A 53 26.751 -6.499 -15.941 1.00 0.00 O ATOM 797 CB THR A 53 29.108 -5.010 -16.987 1.00 0.00 C ATOM 798 OG1 THR A 53 30.501 -4.771 -17.031 1.00 0.00 O ATOM 799 CG2 THR A 53 28.464 -3.879 -17.789 1.00 0.00 C ATOM 0 H THR A 53 29.106 -6.975 -14.874 1.00 0.00 H new ATOM 0 HA THR A 53 28.741 -4.050 -15.113 1.00 0.00 H new ATOM 0 HB THR A 53 28.839 -5.975 -17.416 1.00 0.00 H new ATOM 0 HG1 THR A 53 30.800 -4.749 -17.964 1.00 0.00 H new ATOM 0 HG21 THR A 53 28.844 -3.895 -18.810 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.382 -4.013 -17.802 1.00 0.00 H new ATOM 0 HG23 THR A 53 28.706 -2.922 -17.327 1.00 0.00 H new ATOM 807 N ILE A 54 26.315 -4.595 -14.840 1.00 0.00 N ATOM 808 CA ILE A 54 24.864 -4.802 -14.736 1.00 0.00 C ATOM 809 C ILE A 54 24.159 -3.999 -15.827 1.00 0.00 C ATOM 810 O ILE A 54 24.396 -2.800 -16.008 1.00 0.00 O ATOM 811 CB ILE A 54 24.357 -4.582 -13.291 1.00 0.00 C ATOM 812 CG1 ILE A 54 22.827 -4.690 -13.102 1.00 0.00 C ATOM 813 CG2 ILE A 54 24.891 -3.289 -12.660 1.00 0.00 C ATOM 814 CD1 ILE A 54 21.984 -3.502 -13.587 1.00 0.00 C ATOM 0 H ILE A 54 26.633 -3.733 -14.397 1.00 0.00 H new ATOM 0 HA ILE A 54 24.609 -5.844 -14.928 1.00 0.00 H new ATOM 0 HB ILE A 54 24.780 -5.430 -12.752 1.00 0.00 H new ATOM 0 HG12 ILE A 54 22.483 -5.585 -13.621 1.00 0.00 H new ATOM 0 HG13 ILE A 54 22.625 -4.839 -12.041 1.00 0.00 H new ATOM 0 HG21 ILE A 54 24.501 -3.190 -11.647 1.00 0.00 H new ATOM 0 HG22 ILE A 54 25.980 -3.323 -12.627 1.00 0.00 H new ATOM 0 HG23 ILE A 54 24.572 -2.434 -13.257 1.00 0.00 H new ATOM 0 HD11 ILE A 54 20.930 -3.703 -13.397 1.00 0.00 H new ATOM 0 HD12 ILE A 54 22.284 -2.601 -13.052 1.00 0.00 H new ATOM 0 HD13 ILE A 54 22.139 -3.358 -14.656 1.00 0.00 H new ATOM 826 N THR A 55 23.285 -4.682 -16.564 1.00 0.00 N ATOM 827 CA THR A 55 22.529 -4.123 -17.688 1.00 0.00 C ATOM 828 C THR A 55 21.024 -4.209 -17.428 1.00 0.00 C ATOM 829 O THR A 55 20.533 -5.209 -16.908 1.00 0.00 O ATOM 830 CB THR A 55 22.916 -4.812 -19.011 1.00 0.00 C ATOM 831 OG1 THR A 55 22.857 -6.216 -18.876 1.00 0.00 O ATOM 832 CG2 THR A 55 24.354 -4.512 -19.435 1.00 0.00 C ATOM 0 H THR A 55 23.076 -5.666 -16.393 1.00 0.00 H new ATOM 0 HA THR A 55 22.787 -3.068 -17.782 1.00 0.00 H new ATOM 0 HB THR A 55 22.210 -4.429 -19.748 1.00 0.00 H new ATOM 0 HG1 THR A 55 23.104 -6.637 -19.726 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.571 -5.023 -20.373 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.477 -3.437 -19.571 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.041 -4.861 -18.664 1.00 0.00 H new ATOM 840 N VAL A 56 20.278 -3.159 -17.786 1.00 0.00 N ATOM 841 CA VAL A 56 18.805 -3.114 -17.770 1.00 0.00 C ATOM 842 C VAL A 56 18.305 -3.324 -19.195 1.00 0.00 C ATOM 843 O VAL A 56 18.594 -2.524 -20.079 1.00 0.00 O ATOM 844 CB VAL A 56 18.288 -1.816 -17.107 1.00 0.00 C ATOM 845 CG1 VAL A 56 16.812 -1.516 -17.393 1.00 0.00 C ATOM 846 CG2 VAL A 56 18.424 -1.986 -15.593 1.00 0.00 C ATOM 0 H VAL A 56 20.694 -2.285 -18.107 1.00 0.00 H new ATOM 0 HA VAL A 56 18.402 -3.916 -17.152 1.00 0.00 H new ATOM 0 HB VAL A 56 18.876 -0.994 -17.515 1.00 0.00 H new ATOM 0 HG11 VAL A 56 16.525 -0.590 -16.894 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.664 -1.409 -18.468 1.00 0.00 H new ATOM 0 HG13 VAL A 56 16.196 -2.335 -17.021 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.067 -1.086 -15.092 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.831 -2.841 -15.268 1.00 0.00 H new ATOM 0 HG23 VAL A 56 19.471 -2.152 -15.338 1.00 0.00 H new ATOM 856 N ASN A 57 17.591 -4.430 -19.413 1.00 0.00 N ATOM 857 CA ASN A 57 17.185 -5.005 -20.708 1.00 0.00 C ATOM 858 C ASN A 57 18.361 -5.265 -21.675 1.00 0.00 C ATOM 859 O ASN A 57 18.744 -6.414 -21.898 1.00 0.00 O ATOM 860 CB ASN A 57 16.055 -4.173 -21.352 1.00 0.00 C ATOM 861 CG ASN A 57 14.797 -4.128 -20.503 1.00 0.00 C ATOM 862 OD1 ASN A 57 14.087 -5.111 -20.349 1.00 0.00 O ATOM 863 ND2 ASN A 57 14.485 -2.989 -19.927 1.00 0.00 N ATOM 0 H ASN A 57 17.253 -4.994 -18.633 1.00 0.00 H new ATOM 0 HA ASN A 57 16.787 -5.997 -20.493 1.00 0.00 H new ATOM 0 HB2 ASN A 57 16.410 -3.156 -21.521 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.813 -4.592 -22.329 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.647 -2.923 -19.349 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.080 -2.171 -20.058 1.00 0.00 H new ATOM 870 N GLN A 58 18.928 -4.193 -22.235 1.00 0.00 N ATOM 871 CA GLN A 58 20.038 -4.190 -23.199 1.00 0.00 C ATOM 872 C GLN A 58 21.031 -3.020 -22.995 1.00 0.00 C ATOM 873 O GLN A 58 21.922 -2.814 -23.820 1.00 0.00 O ATOM 874 CB GLN A 58 19.453 -4.211 -24.625 1.00 0.00 C ATOM 875 CG GLN A 58 18.539 -3.013 -24.944 1.00 0.00 C ATOM 876 CD GLN A 58 18.120 -2.996 -26.412 1.00 0.00 C ATOM 877 OE1 GLN A 58 17.039 -3.433 -26.787 1.00 0.00 O ATOM 878 NE2 GLN A 58 18.956 -2.505 -27.306 1.00 0.00 N ATOM 0 H GLN A 58 18.608 -3.249 -22.017 1.00 0.00 H new ATOM 0 HA GLN A 58 20.635 -5.086 -23.032 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.273 -4.231 -25.343 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.888 -5.133 -24.761 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.651 -3.055 -24.313 1.00 0.00 H new ATOM 0 HG3 GLN A 58 19.058 -2.085 -24.703 1.00 0.00 H new ATOM 0 HE21 GLN A 58 19.860 -2.137 -27.011 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.698 -2.493 -28.293 1.00 0.00 H new ATOM 887 N ASP A 59 20.887 -2.245 -21.912 1.00 0.00 N ATOM 888 CA ASP A 59 21.643 -1.009 -21.651 1.00 0.00 C ATOM 889 C ASP A 59 22.450 -1.107 -20.352 1.00 0.00 C ATOM 890 O ASP A 59 21.909 -1.489 -19.316 1.00 0.00 O ATOM 891 CB ASP A 59 20.671 0.178 -21.577 1.00 0.00 C ATOM 892 CG ASP A 59 20.091 0.538 -22.955 1.00 0.00 C ATOM 893 OD1 ASP A 59 20.852 1.044 -23.814 1.00 0.00 O ATOM 894 OD2 ASP A 59 18.872 0.343 -23.176 1.00 0.00 O ATOM 0 H ASP A 59 20.222 -2.466 -21.170 1.00 0.00 H new ATOM 0 HA ASP A 59 22.348 -0.860 -22.469 1.00 0.00 H new ATOM 0 HB2 ASP A 59 19.857 -0.063 -20.893 1.00 0.00 H new ATOM 0 HB3 ASP A 59 21.188 1.044 -21.164 1.00 0.00 H new ATOM 899 N VAL A 60 23.736 -0.741 -20.367 1.00 0.00 N ATOM 900 CA VAL A 60 24.555 -0.677 -19.140 1.00 0.00 C ATOM 901 C VAL A 60 24.183 0.539 -18.287 1.00 0.00 C ATOM 902 O VAL A 60 23.975 1.635 -18.806 1.00 0.00 O ATOM 903 CB VAL A 60 26.069 -0.757 -19.442 1.00 0.00 C ATOM 904 CG1 VAL A 60 26.592 0.371 -20.340 1.00 0.00 C ATOM 905 CG2 VAL A 60 26.908 -0.778 -18.157 1.00 0.00 C ATOM 0 H VAL A 60 24.239 -0.483 -21.216 1.00 0.00 H new ATOM 0 HA VAL A 60 24.325 -1.562 -18.546 1.00 0.00 H new ATOM 0 HB VAL A 60 26.180 -1.696 -19.985 1.00 0.00 H new ATOM 0 HG11 VAL A 60 27.662 0.240 -20.502 1.00 0.00 H new ATOM 0 HG12 VAL A 60 26.073 0.343 -21.298 1.00 0.00 H new ATOM 0 HG13 VAL A 60 26.413 1.332 -19.858 1.00 0.00 H new ATOM 0 HG21 VAL A 60 27.966 -0.835 -18.414 1.00 0.00 H new ATOM 0 HG22 VAL A 60 26.722 0.131 -17.586 1.00 0.00 H new ATOM 0 HG23 VAL A 60 26.633 -1.646 -17.557 1.00 0.00 H new ATOM 915 N ILE A 61 24.122 0.334 -16.966 1.00 0.00 N ATOM 916 CA ILE A 61 23.854 1.402 -15.986 1.00 0.00 C ATOM 917 C ILE A 61 24.865 1.465 -14.837 1.00 0.00 C ATOM 918 O ILE A 61 25.069 2.542 -14.279 1.00 0.00 O ATOM 919 CB ILE A 61 22.425 1.291 -15.420 1.00 0.00 C ATOM 920 CG1 ILE A 61 22.028 -0.137 -15.005 1.00 0.00 C ATOM 921 CG2 ILE A 61 21.408 1.875 -16.411 1.00 0.00 C ATOM 922 CD1 ILE A 61 20.853 -0.126 -14.026 1.00 0.00 C ATOM 0 H ILE A 61 24.258 -0.583 -16.540 1.00 0.00 H new ATOM 0 HA ILE A 61 23.959 2.333 -16.544 1.00 0.00 H new ATOM 0 HB ILE A 61 22.416 1.878 -14.502 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.761 -0.714 -15.890 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.882 -0.635 -14.546 1.00 0.00 H new ATOM 0 HG21 ILE A 61 20.404 1.788 -15.995 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.637 2.925 -16.591 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.460 1.326 -17.351 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.597 -1.150 -13.753 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.131 0.430 -13.131 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.992 0.350 -14.496 1.00 0.00 H new ATOM 934 N PHE A 62 25.510 0.347 -14.486 1.00 0.00 N ATOM 935 CA PHE A 62 26.557 0.321 -13.464 1.00 0.00 C ATOM 936 C PHE A 62 27.561 -0.801 -13.738 1.00 0.00 C ATOM 937 O PHE A 62 27.212 -1.852 -14.277 1.00 0.00 O ATOM 938 CB PHE A 62 25.919 0.220 -12.063 1.00 0.00 C ATOM 939 CG PHE A 62 26.931 -0.026 -10.956 1.00 0.00 C ATOM 940 CD1 PHE A 62 27.826 0.998 -10.592 1.00 0.00 C ATOM 941 CD2 PHE A 62 27.065 -1.305 -10.377 1.00 0.00 C ATOM 942 CE1 PHE A 62 28.853 0.742 -9.667 1.00 0.00 C ATOM 943 CE2 PHE A 62 28.116 -1.570 -9.479 1.00 0.00 C ATOM 944 CZ PHE A 62 29.004 -0.542 -9.119 1.00 0.00 C ATOM 0 H PHE A 62 25.319 -0.564 -14.903 1.00 0.00 H new ATOM 0 HA PHE A 62 27.121 1.253 -13.501 1.00 0.00 H new ATOM 0 HB2 PHE A 62 25.377 1.142 -11.851 1.00 0.00 H new ATOM 0 HB3 PHE A 62 25.187 -0.588 -12.062 1.00 0.00 H new ATOM 0 HD1 PHE A 62 27.723 1.982 -11.024 1.00 0.00 H new ATOM 0 HD2 PHE A 62 26.359 -2.084 -10.624 1.00 0.00 H new ATOM 0 HE1 PHE A 62 29.527 1.534 -9.377 1.00 0.00 H new ATOM 0 HE2 PHE A 62 28.240 -2.561 -9.068 1.00 0.00 H new ATOM 0 HZ PHE A 62 29.803 -0.740 -8.420 1.00 0.00 H new ATOM 954 N GLN A 63 28.821 -0.570 -13.372 1.00 0.00 N ATOM 955 CA GLN A 63 29.904 -1.540 -13.516 1.00 0.00 C ATOM 956 C GLN A 63 31.060 -1.276 -12.534 1.00 0.00 C ATOM 957 O GLN A 63 31.355 -0.127 -12.205 1.00 0.00 O ATOM 958 CB GLN A 63 30.374 -1.581 -14.985 1.00 0.00 C ATOM 959 CG GLN A 63 30.873 -0.244 -15.561 1.00 0.00 C ATOM 960 CD GLN A 63 31.201 -0.361 -17.049 1.00 0.00 C ATOM 961 OE1 GLN A 63 30.557 0.234 -17.905 1.00 0.00 O ATOM 962 NE2 GLN A 63 32.203 -1.130 -17.422 1.00 0.00 N ATOM 0 H GLN A 63 29.123 0.313 -12.960 1.00 0.00 H new ATOM 0 HA GLN A 63 29.521 -2.526 -13.253 1.00 0.00 H new ATOM 0 HB2 GLN A 63 31.175 -2.315 -15.071 1.00 0.00 H new ATOM 0 HB3 GLN A 63 29.549 -1.936 -15.602 1.00 0.00 H new ATOM 0 HG2 GLN A 63 30.112 0.523 -15.415 1.00 0.00 H new ATOM 0 HG3 GLN A 63 31.760 0.079 -15.016 1.00 0.00 H new ATOM 0 HE21 GLN A 63 32.749 -1.632 -16.722 1.00 0.00 H new ATOM 0 HE22 GLN A 63 32.433 -1.224 -18.411 1.00 0.00 H new ATOM 971 N THR A 64 31.720 -2.340 -12.066 1.00 0.00 N ATOM 972 CA THR A 64 32.825 -2.283 -11.088 1.00 0.00 C ATOM 973 C THR A 64 33.758 -3.497 -11.191 1.00 0.00 C ATOM 974 O THR A 64 33.357 -4.558 -11.671 1.00 0.00 O ATOM 975 CB THR A 64 32.264 -2.138 -9.662 1.00 0.00 C ATOM 976 OG1 THR A 64 33.318 -1.940 -8.744 1.00 0.00 O ATOM 977 CG2 THR A 64 31.440 -3.346 -9.200 1.00 0.00 C ATOM 0 H THR A 64 31.499 -3.291 -12.361 1.00 0.00 H new ATOM 0 HA THR A 64 33.427 -1.405 -11.323 1.00 0.00 H new ATOM 0 HB THR A 64 31.597 -1.276 -9.691 1.00 0.00 H new ATOM 0 HG1 THR A 64 32.951 -1.847 -7.840 1.00 0.00 H new ATOM 0 HG21 THR A 64 31.077 -3.173 -8.187 1.00 0.00 H new ATOM 0 HG22 THR A 64 30.592 -3.486 -9.870 1.00 0.00 H new ATOM 0 HG23 THR A 64 32.064 -4.239 -9.214 1.00 0.00 H new ATOM 985 N PHE A 65 35.007 -3.364 -10.739 1.00 0.00 N ATOM 986 CA PHE A 65 36.009 -4.433 -10.765 1.00 0.00 C ATOM 987 C PHE A 65 36.108 -5.124 -9.393 1.00 0.00 C ATOM 988 O PHE A 65 36.436 -4.487 -8.387 1.00 0.00 O ATOM 989 CB PHE A 65 37.345 -3.841 -11.247 1.00 0.00 C ATOM 990 CG PHE A 65 38.419 -4.825 -11.681 1.00 0.00 C ATOM 991 CD1 PHE A 65 38.098 -5.916 -12.509 1.00 0.00 C ATOM 992 CD2 PHE A 65 39.767 -4.592 -11.349 1.00 0.00 C ATOM 993 CE1 PHE A 65 39.097 -6.779 -12.986 1.00 0.00 C ATOM 994 CE2 PHE A 65 40.775 -5.440 -11.843 1.00 0.00 C ATOM 995 CZ PHE A 65 40.439 -6.533 -12.662 1.00 0.00 C ATOM 0 H PHE A 65 35.357 -2.494 -10.337 1.00 0.00 H new ATOM 0 HA PHE A 65 35.716 -5.215 -11.465 1.00 0.00 H new ATOM 0 HB2 PHE A 65 37.138 -3.175 -12.084 1.00 0.00 H new ATOM 0 HB3 PHE A 65 37.753 -3.227 -10.444 1.00 0.00 H new ATOM 0 HD1 PHE A 65 37.068 -6.092 -12.782 1.00 0.00 H new ATOM 0 HD2 PHE A 65 40.028 -3.759 -10.713 1.00 0.00 H new ATOM 0 HE1 PHE A 65 38.833 -7.628 -13.599 1.00 0.00 H new ATOM 0 HE2 PHE A 65 41.809 -5.251 -11.593 1.00 0.00 H new ATOM 0 HZ PHE A 65 41.214 -7.182 -13.041 1.00 0.00 H new ATOM 1005 N LEU A 66 35.806 -6.425 -9.346 1.00 0.00 N ATOM 1006 CA LEU A 66 35.892 -7.260 -8.144 1.00 0.00 C ATOM 1007 C LEU A 66 37.300 -7.850 -7.951 1.00 0.00 C ATOM 1008 O LEU A 66 37.981 -8.198 -8.920 1.00 0.00 O ATOM 1009 CB LEU A 66 34.858 -8.395 -8.218 1.00 0.00 C ATOM 1010 CG LEU A 66 33.425 -8.065 -7.799 1.00 0.00 C ATOM 1011 CD1 LEU A 66 32.605 -9.344 -7.956 1.00 0.00 C ATOM 1012 CD2 LEU A 66 33.307 -7.658 -6.329 1.00 0.00 C ATOM 0 H LEU A 66 35.486 -6.941 -10.166 1.00 0.00 H new ATOM 0 HA LEU A 66 35.680 -6.622 -7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 66 34.834 -8.763 -9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 66 35.212 -9.215 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 66 33.084 -7.234 -8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 66 31.572 -9.152 -7.666 1.00 0.00 H new ATOM 0 HD12 LEU A 66 32.636 -9.671 -8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 66 33.022 -10.124 -7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 66 32.266 -7.437 -6.095 1.00 0.00 H new ATOM 0 HD22 LEU A 66 33.656 -8.474 -5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 66 33.916 -6.772 -6.147 1.00 0.00 H new ATOM 1024 N PHE A 67 37.683 -8.041 -6.685 1.00 0.00 N ATOM 1025 CA PHE A 67 38.959 -8.647 -6.274 1.00 0.00 C ATOM 1026 C PHE A 67 38.735 -9.865 -5.344 1.00 0.00 C ATOM 1027 O PHE A 67 37.958 -9.765 -4.393 1.00 0.00 O ATOM 1028 CB PHE A 67 39.835 -7.586 -5.590 1.00 0.00 C ATOM 1029 CG PHE A 67 40.317 -6.463 -6.493 1.00 0.00 C ATOM 1030 CD1 PHE A 67 41.596 -6.527 -7.078 1.00 0.00 C ATOM 1031 CD2 PHE A 67 39.500 -5.339 -6.729 1.00 0.00 C ATOM 1032 CE1 PHE A 67 42.056 -5.474 -7.891 1.00 0.00 C ATOM 1033 CE2 PHE A 67 39.956 -4.292 -7.549 1.00 0.00 C ATOM 1034 CZ PHE A 67 41.237 -4.355 -8.125 1.00 0.00 C ATOM 0 H PHE A 67 37.099 -7.772 -5.893 1.00 0.00 H new ATOM 0 HA PHE A 67 39.472 -9.014 -7.163 1.00 0.00 H new ATOM 0 HB2 PHE A 67 39.272 -7.150 -4.765 1.00 0.00 H new ATOM 0 HB3 PHE A 67 40.704 -8.080 -5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 67 42.226 -7.386 -6.902 1.00 0.00 H new ATOM 0 HD2 PHE A 67 38.520 -5.282 -6.278 1.00 0.00 H new ATOM 0 HE1 PHE A 67 43.039 -5.525 -8.336 1.00 0.00 H new ATOM 0 HE2 PHE A 67 39.322 -3.438 -7.737 1.00 0.00 H new ATOM 0 HZ PHE A 67 41.591 -3.546 -8.746 1.00 0.00 H new ATOM 1044 N PRO A 68 39.406 -11.013 -5.589 1.00 0.00 N ATOM 1045 CA PRO A 68 39.215 -12.256 -4.830 1.00 0.00 C ATOM 1046 C PRO A 68 40.004 -12.318 -3.504 1.00 0.00 C ATOM 1047 O PRO A 68 39.537 -12.944 -2.550 1.00 0.00 O ATOM 1048 CB PRO A 68 39.652 -13.368 -5.791 1.00 0.00 C ATOM 1049 CG PRO A 68 40.740 -12.691 -6.623 1.00 0.00 C ATOM 1050 CD PRO A 68 40.216 -11.274 -6.768 1.00 0.00 C ATOM 0 HA PRO A 68 38.177 -12.347 -4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 68 40.035 -14.237 -5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 68 38.825 -13.714 -6.411 1.00 0.00 H new ATOM 0 HG2 PRO A 68 41.707 -12.716 -6.121 1.00 0.00 H new ATOM 0 HG3 PRO A 68 40.870 -13.176 -7.591 1.00 0.00 H new ATOM 0 HD2 PRO A 68 41.038 -10.562 -6.840 1.00 0.00 H new ATOM 0 HD3 PRO A 68 39.624 -11.170 -7.677 1.00 0.00 H new ATOM 1058 N LEU A 69 41.185 -11.680 -3.426 1.00 0.00 N ATOM 1059 CA LEU A 69 42.030 -11.668 -2.213 1.00 0.00 C ATOM 1060 C LEU A 69 41.586 -10.603 -1.191 1.00 0.00 C ATOM 1061 O LEU A 69 41.815 -10.769 0.011 1.00 0.00 O ATOM 1062 CB LEU A 69 43.516 -11.463 -2.597 1.00 0.00 C ATOM 1063 CG LEU A 69 44.334 -12.709 -3.001 1.00 0.00 C ATOM 1064 CD1 LEU A 69 44.414 -13.749 -1.881 1.00 0.00 C ATOM 1065 CD2 LEU A 69 43.815 -13.395 -4.263 1.00 0.00 C ATOM 0 H LEU A 69 41.584 -11.155 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 69 41.911 -12.638 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 69 43.553 -10.755 -3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 69 44.018 -10.992 -1.752 1.00 0.00 H new ATOM 0 HG LEU A 69 45.330 -12.317 -3.205 1.00 0.00 H new ATOM 0 HD11 LEU A 69 45.000 -14.603 -2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 69 44.890 -13.306 -1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 69 43.409 -14.079 -1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 69 44.437 -14.262 -4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 69 42.786 -13.718 -4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 69 43.852 -12.696 -5.098 1.00 0.00 H new ATOM 1077 N LYS A 70 40.941 -9.526 -1.659 1.00 0.00 N ATOM 1078 CA LYS A 70 40.366 -8.457 -0.816 1.00 0.00 C ATOM 1079 C LYS A 70 38.974 -8.833 -0.285 1.00 0.00 C ATOM 1080 O LYS A 70 38.285 -9.691 -0.840 1.00 0.00 O ATOM 1081 CB LYS A 70 40.340 -7.127 -1.600 1.00 0.00 C ATOM 1082 CG LYS A 70 41.715 -6.449 -1.738 1.00 0.00 C ATOM 1083 CD LYS A 70 42.172 -5.781 -0.429 1.00 0.00 C ATOM 1084 CE LYS A 70 43.472 -4.997 -0.651 1.00 0.00 C ATOM 1085 NZ LYS A 70 43.894 -4.282 0.586 1.00 0.00 N ATOM 0 H LYS A 70 40.799 -9.366 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 70 41.003 -8.330 0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 70 39.938 -7.313 -2.596 1.00 0.00 H new ATOM 0 HB3 LYS A 70 39.656 -6.439 -1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 70 42.454 -7.190 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 70 41.670 -5.700 -2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 70 41.394 -5.110 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 70 42.324 -6.539 0.339 1.00 0.00 H new ATOM 0 HE2 LYS A 70 44.261 -5.680 -0.965 1.00 0.00 H new ATOM 0 HE3 LYS A 70 43.332 -4.278 -1.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 44.776 -3.762 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 43.150 -3.613 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 44.051 -4.971 1.349 1.00 0.00 H new ATOM 1099 N ARG A 71 38.551 -8.150 0.790 1.00 0.00 N ATOM 1100 CA ARG A 71 37.273 -8.380 1.506 1.00 0.00 C ATOM 1101 C ARG A 71 36.161 -7.385 1.140 1.00 0.00 C ATOM 1102 O ARG A 71 35.119 -7.354 1.790 1.00 0.00 O ATOM 1103 CB ARG A 71 37.539 -8.462 3.025 1.00 0.00 C ATOM 1104 CG ARG A 71 38.441 -9.656 3.382 1.00 0.00 C ATOM 1105 CD ARG A 71 38.627 -9.780 4.900 1.00 0.00 C ATOM 1106 NE ARG A 71 39.486 -10.932 5.244 1.00 0.00 N ATOM 1107 CZ ARG A 71 39.116 -12.188 5.440 1.00 0.00 C ATOM 1108 NH1 ARG A 71 37.874 -12.574 5.343 1.00 0.00 N ATOM 1109 NH2 ARG A 71 40.004 -13.092 5.742 1.00 0.00 N ATOM 0 H ARG A 71 39.102 -7.397 1.203 1.00 0.00 H new ATOM 0 HA ARG A 71 36.876 -9.338 1.170 1.00 0.00 H new ATOM 0 HB2 ARG A 71 38.008 -7.538 3.362 1.00 0.00 H new ATOM 0 HB3 ARG A 71 36.591 -8.551 3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 71 38.004 -10.575 2.991 1.00 0.00 H new ATOM 0 HG3 ARG A 71 39.413 -9.536 2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 71 39.070 -8.864 5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 71 37.655 -9.893 5.380 1.00 0.00 H new ATOM 0 HE ARG A 71 40.482 -10.736 5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 71 37.147 -11.898 5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 71 37.630 -13.552 5.502 1.00 0.00 H new ATOM 0 HH21 ARG A 71 40.987 -12.833 5.828 1.00 0.00 H new ATOM 0 HH22 ARG A 71 39.717 -14.059 5.893 1.00 0.00 H new ATOM 1123 N ASP A 72 36.345 -6.589 0.081 1.00 0.00 N ATOM 1124 CA ASP A 72 35.336 -5.625 -0.385 1.00 0.00 C ATOM 1125 C ASP A 72 34.107 -6.274 -1.029 1.00 0.00 C ATOM 1126 O ASP A 72 33.082 -5.611 -1.110 1.00 0.00 O ATOM 1127 CB ASP A 72 35.934 -4.601 -1.359 1.00 0.00 C ATOM 1128 CG ASP A 72 36.197 -5.197 -2.758 1.00 0.00 C ATOM 1129 OD1 ASP A 72 37.288 -5.777 -2.962 1.00 0.00 O ATOM 1130 OD2 ASP A 72 35.304 -5.096 -3.637 1.00 0.00 O ATOM 0 H ASP A 72 37.197 -6.593 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 72 35.001 -5.120 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 72 35.255 -3.753 -1.451 1.00 0.00 H new ATOM 0 HB3 ASP A 72 36.869 -4.218 -0.949 1.00 0.00 H new ATOM 1135 N PHE A 73 34.175 -7.541 -1.461 1.00 0.00 N ATOM 1136 CA PHE A 73 33.124 -8.209 -2.244 1.00 0.00 C ATOM 1137 C PHE A 73 31.708 -7.978 -1.688 1.00 0.00 C ATOM 1138 O PHE A 73 30.823 -7.552 -2.426 1.00 0.00 O ATOM 1139 CB PHE A 73 33.465 -9.708 -2.344 1.00 0.00 C ATOM 1140 CG PHE A 73 32.346 -10.575 -2.893 1.00 0.00 C ATOM 1141 CD1 PHE A 73 31.327 -11.039 -2.035 1.00 0.00 C ATOM 1142 CD2 PHE A 73 32.308 -10.897 -4.262 1.00 0.00 C ATOM 1143 CE1 PHE A 73 30.247 -11.768 -2.556 1.00 0.00 C ATOM 1144 CE2 PHE A 73 31.236 -11.644 -4.782 1.00 0.00 C ATOM 1145 CZ PHE A 73 30.197 -12.056 -3.928 1.00 0.00 C ATOM 0 H PHE A 73 34.977 -8.142 -1.273 1.00 0.00 H new ATOM 0 HA PHE A 73 33.105 -7.766 -3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 73 34.343 -9.826 -2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 73 33.737 -10.072 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 73 31.378 -10.833 -0.976 1.00 0.00 H new ATOM 0 HD2 PHE A 73 33.104 -10.570 -4.915 1.00 0.00 H new ATOM 0 HE1 PHE A 73 29.457 -12.106 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 73 31.211 -11.900 -5.831 1.00 0.00 H new ATOM 0 HZ PHE A 73 29.355 -12.598 -4.332 1.00 0.00 H new ATOM 1155 N GLU A 74 31.499 -8.170 -0.381 1.00 0.00 N ATOM 1156 CA GLU A 74 30.183 -7.982 0.254 1.00 0.00 C ATOM 1157 C GLU A 74 29.715 -6.521 0.176 1.00 0.00 C ATOM 1158 O GLU A 74 28.568 -6.231 -0.168 1.00 0.00 O ATOM 1159 CB GLU A 74 30.272 -8.434 1.718 1.00 0.00 C ATOM 1160 CG GLU A 74 28.890 -8.721 2.311 1.00 0.00 C ATOM 1161 CD GLU A 74 29.008 -9.161 3.783 1.00 0.00 C ATOM 1162 OE1 GLU A 74 29.163 -8.286 4.671 1.00 0.00 O ATOM 1163 OE2 GLU A 74 28.946 -10.383 4.065 1.00 0.00 O ATOM 0 H GLU A 74 32.232 -8.459 0.267 1.00 0.00 H new ATOM 0 HA GLU A 74 29.449 -8.583 -0.282 1.00 0.00 H new ATOM 0 HB2 GLU A 74 30.889 -9.330 1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 74 30.767 -7.662 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 74 28.267 -7.829 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 74 28.395 -9.501 1.732 1.00 0.00 H new ATOM 1170 N LYS A 75 30.643 -5.591 0.426 1.00 0.00 N ATOM 1171 CA LYS A 75 30.412 -4.142 0.376 1.00 0.00 C ATOM 1172 C LYS A 75 30.095 -3.698 -1.053 1.00 0.00 C ATOM 1173 O LYS A 75 29.098 -3.021 -1.281 1.00 0.00 O ATOM 1174 CB LYS A 75 31.617 -3.379 0.975 1.00 0.00 C ATOM 1175 CG LYS A 75 31.847 -3.710 2.461 1.00 0.00 C ATOM 1176 CD LYS A 75 32.911 -4.804 2.677 1.00 0.00 C ATOM 1177 CE LYS A 75 32.737 -5.526 4.020 1.00 0.00 C ATOM 1178 NZ LYS A 75 33.031 -4.649 5.191 1.00 0.00 N ATOM 0 H LYS A 75 31.602 -5.831 0.676 1.00 0.00 H new ATOM 0 HA LYS A 75 29.543 -3.899 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 75 32.516 -3.624 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 75 31.454 -2.307 0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 75 32.153 -2.805 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 75 30.906 -4.034 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 75 32.853 -5.530 1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 75 33.904 -4.356 2.633 1.00 0.00 H new ATOM 0 HE2 LYS A 75 31.715 -5.898 4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 75 33.395 -6.395 4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 32.898 -5.188 6.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 34.014 -4.314 5.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 32.387 -3.833 5.184 1.00 0.00 H new ATOM 1192 N THR A 76 30.864 -4.179 -2.025 1.00 0.00 N ATOM 1193 CA THR A 76 30.669 -3.966 -3.466 1.00 0.00 C ATOM 1194 C THR A 76 29.337 -4.540 -3.960 1.00 0.00 C ATOM 1195 O THR A 76 28.644 -3.867 -4.719 1.00 0.00 O ATOM 1196 CB THR A 76 31.878 -4.537 -4.234 1.00 0.00 C ATOM 1197 OG1 THR A 76 33.004 -3.747 -3.923 1.00 0.00 O ATOM 1198 CG2 THR A 76 31.699 -4.489 -5.753 1.00 0.00 C ATOM 0 H THR A 76 31.681 -4.756 -1.826 1.00 0.00 H new ATOM 0 HA THR A 76 30.612 -2.895 -3.659 1.00 0.00 H new ATOM 0 HB THR A 76 31.989 -5.580 -3.937 1.00 0.00 H new ATOM 0 HG1 THR A 76 33.735 -4.325 -3.619 1.00 0.00 H new ATOM 0 HG21 THR A 76 32.583 -4.905 -6.237 1.00 0.00 H new ATOM 0 HG22 THR A 76 30.823 -5.073 -6.035 1.00 0.00 H new ATOM 0 HG23 THR A 76 31.564 -3.455 -6.071 1.00 0.00 H new ATOM 1206 N VAL A 77 28.905 -5.713 -3.478 1.00 0.00 N ATOM 1207 CA VAL A 77 27.567 -6.269 -3.765 1.00 0.00 C ATOM 1208 C VAL A 77 26.478 -5.342 -3.232 1.00 0.00 C ATOM 1209 O VAL A 77 25.628 -4.915 -4.006 1.00 0.00 O ATOM 1210 CB VAL A 77 27.401 -7.701 -3.207 1.00 0.00 C ATOM 1211 CG1 VAL A 77 25.939 -8.167 -3.198 1.00 0.00 C ATOM 1212 CG2 VAL A 77 28.182 -8.713 -4.053 1.00 0.00 C ATOM 0 H VAL A 77 29.473 -6.309 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 77 27.465 -6.338 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 77 27.779 -7.659 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 77 25.882 -9.179 -2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 77 25.347 -7.496 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 77 25.548 -8.158 -4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 77 28.049 -9.713 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 77 27.813 -8.692 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 77 29.241 -8.455 -4.044 1.00 0.00 H new ATOM 1222 N VAL A 78 26.512 -4.975 -1.945 1.00 0.00 N ATOM 1223 CA VAL A 78 25.482 -4.116 -1.325 1.00 0.00 C ATOM 1224 C VAL A 78 25.436 -2.739 -1.994 1.00 0.00 C ATOM 1225 O VAL A 78 24.361 -2.212 -2.272 1.00 0.00 O ATOM 1226 CB VAL A 78 25.714 -3.998 0.196 1.00 0.00 C ATOM 1227 CG1 VAL A 78 24.786 -2.977 0.870 1.00 0.00 C ATOM 1228 CG2 VAL A 78 25.463 -5.350 0.876 1.00 0.00 C ATOM 0 H VAL A 78 27.250 -5.261 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 78 24.510 -4.585 -1.479 1.00 0.00 H new ATOM 0 HB VAL A 78 26.747 -3.669 0.312 1.00 0.00 H new ATOM 0 HG11 VAL A 78 24.999 -2.941 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 78 24.951 -1.992 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 78 23.748 -3.272 0.717 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.630 -5.254 1.949 1.00 0.00 H new ATOM 0 HG22 VAL A 78 24.435 -5.663 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.146 -6.095 0.468 1.00 0.00 H new ATOM 1238 N ALA A 79 26.596 -2.187 -2.341 1.00 0.00 N ATOM 1239 CA ALA A 79 26.709 -0.895 -3.004 1.00 0.00 C ATOM 1240 C ALA A 79 26.200 -0.942 -4.451 1.00 0.00 C ATOM 1241 O ALA A 79 25.648 0.043 -4.940 1.00 0.00 O ATOM 1242 CB ALA A 79 28.177 -0.475 -2.920 1.00 0.00 C ATOM 0 H ALA A 79 27.496 -2.633 -2.166 1.00 0.00 H new ATOM 0 HA ALA A 79 26.078 -0.158 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 79 28.307 0.492 -3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 79 28.474 -0.398 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.797 -1.219 -3.419 1.00 0.00 H new ATOM 1248 N ALA A 80 26.339 -2.067 -5.156 1.00 0.00 N ATOM 1249 CA ALA A 80 25.794 -2.228 -6.504 1.00 0.00 C ATOM 1250 C ALA A 80 24.259 -2.191 -6.517 1.00 0.00 C ATOM 1251 O ALA A 80 23.680 -1.737 -7.498 1.00 0.00 O ATOM 1252 CB ALA A 80 26.319 -3.540 -7.094 1.00 0.00 C ATOM 0 H ALA A 80 26.832 -2.890 -4.809 1.00 0.00 H new ATOM 0 HA ALA A 80 26.124 -1.389 -7.117 1.00 0.00 H new ATOM 0 HB1 ALA A 80 25.920 -3.672 -8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 80 27.408 -3.510 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 80 26.004 -4.373 -6.466 1.00 0.00 H new ATOM 1258 N LEU A 81 23.595 -2.582 -5.424 1.00 0.00 N ATOM 1259 CA LEU A 81 22.126 -2.532 -5.312 1.00 0.00 C ATOM 1260 C LEU A 81 21.640 -1.074 -5.414 1.00 0.00 C ATOM 1261 O LEU A 81 20.776 -0.746 -6.226 1.00 0.00 O ATOM 1262 CB LEU A 81 21.651 -3.145 -3.975 1.00 0.00 C ATOM 1263 CG LEU A 81 22.225 -4.517 -3.585 1.00 0.00 C ATOM 1264 CD1 LEU A 81 21.810 -4.872 -2.162 1.00 0.00 C ATOM 1265 CD2 LEU A 81 21.778 -5.652 -4.502 1.00 0.00 C ATOM 0 H LEU A 81 24.057 -2.943 -4.590 1.00 0.00 H new ATOM 0 HA LEU A 81 21.703 -3.116 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.889 -2.441 -3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.565 -3.231 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 81 23.307 -4.420 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.221 -5.845 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.189 -4.117 -1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.722 -4.908 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.222 -6.588 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.692 -5.735 -4.475 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.100 -5.444 -5.522 1.00 0.00 H new ATOM 1277 N ILE A 82 22.274 -0.186 -4.639 1.00 0.00 N ATOM 1278 CA ILE A 82 21.978 1.254 -4.612 1.00 0.00 C ATOM 1279 C ILE A 82 22.398 1.906 -5.936 1.00 0.00 C ATOM 1280 O ILE A 82 21.617 2.620 -6.557 1.00 0.00 O ATOM 1281 CB ILE A 82 22.651 1.922 -3.384 1.00 0.00 C ATOM 1282 CG1 ILE A 82 22.163 1.277 -2.062 1.00 0.00 C ATOM 1283 CG2 ILE A 82 22.373 3.439 -3.376 1.00 0.00 C ATOM 1284 CD1 ILE A 82 22.894 1.765 -0.803 1.00 0.00 C ATOM 0 H ILE A 82 23.023 -0.452 -4.000 1.00 0.00 H new ATOM 0 HA ILE A 82 20.903 1.401 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 82 23.727 1.764 -3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 82 21.098 1.477 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.278 0.196 -2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 82 22.852 3.892 -2.508 1.00 0.00 H new ATOM 0 HG22 ILE A 82 22.772 3.887 -4.286 1.00 0.00 H new ATOM 0 HG23 ILE A 82 21.298 3.612 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 82 22.487 1.260 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 82 23.957 1.540 -0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 82 22.758 2.841 -0.697 1.00 0.00 H new ATOM 1296 N GLN A 83 23.606 1.616 -6.430 1.00 0.00 N ATOM 1297 CA GLN A 83 24.123 2.225 -7.666 1.00 0.00 C ATOM 1298 C GLN A 83 23.344 1.793 -8.921 1.00 0.00 C ATOM 1299 O GLN A 83 23.245 2.558 -9.879 1.00 0.00 O ATOM 1300 CB GLN A 83 25.620 1.912 -7.800 1.00 0.00 C ATOM 1301 CG GLN A 83 26.428 2.657 -6.726 1.00 0.00 C ATOM 1302 CD GLN A 83 27.887 2.219 -6.691 1.00 0.00 C ATOM 1303 OE1 GLN A 83 28.151 1.032 -6.184 1.00 0.00 O flip ATOM 1304 NE2 GLN A 83 28.797 2.928 -7.096 1.00 0.00 N flip ATOM 0 H GLN A 83 24.250 0.959 -5.991 1.00 0.00 H new ATOM 0 HA GLN A 83 23.982 3.303 -7.591 1.00 0.00 H new ATOM 0 HB2 GLN A 83 25.782 0.838 -7.705 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.970 2.201 -8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.378 3.729 -6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 83 25.976 2.484 -5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 83 28.592 3.847 -7.488 1.00 0.00 H new ATOM 0 HE22 GLN A 83 29.762 2.601 -7.042 1.00 0.00 H new ATOM 1313 N THR A 84 22.719 0.608 -8.894 1.00 0.00 N ATOM 1314 CA THR A 84 21.781 0.158 -9.935 1.00 0.00 C ATOM 1315 C THR A 84 20.538 1.045 -9.977 1.00 0.00 C ATOM 1316 O THR A 84 20.167 1.516 -11.050 1.00 0.00 O ATOM 1317 CB THR A 84 21.379 -1.307 -9.716 1.00 0.00 C ATOM 1318 OG1 THR A 84 22.512 -2.126 -9.876 1.00 0.00 O ATOM 1319 CG2 THR A 84 20.367 -1.829 -10.723 1.00 0.00 C ATOM 0 H THR A 84 22.850 -0.071 -8.144 1.00 0.00 H new ATOM 0 HA THR A 84 22.292 0.237 -10.894 1.00 0.00 H new ATOM 0 HB THR A 84 20.943 -1.339 -8.718 1.00 0.00 H new ATOM 0 HG1 THR A 84 23.184 -1.889 -9.203 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.135 -2.870 -10.500 1.00 0.00 H new ATOM 0 HG22 THR A 84 19.456 -1.234 -10.665 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.783 -1.757 -11.728 1.00 0.00 H new ATOM 1327 N GLU A 85 19.903 1.343 -8.836 1.00 0.00 N ATOM 1328 CA GLU A 85 18.726 2.217 -8.848 1.00 0.00 C ATOM 1329 C GLU A 85 19.099 3.691 -9.056 1.00 0.00 C ATOM 1330 O GLU A 85 18.326 4.425 -9.661 1.00 0.00 O ATOM 1331 CB GLU A 85 17.827 2.016 -7.618 1.00 0.00 C ATOM 1332 CG GLU A 85 18.419 2.469 -6.279 1.00 0.00 C ATOM 1333 CD GLU A 85 17.308 2.703 -5.235 1.00 0.00 C ATOM 1334 OE1 GLU A 85 17.120 1.847 -4.336 1.00 0.00 O ATOM 1335 OE2 GLU A 85 16.631 3.760 -5.304 1.00 0.00 O ATOM 0 H GLU A 85 20.177 1.001 -7.915 1.00 0.00 H new ATOM 0 HA GLU A 85 18.134 1.917 -9.713 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.893 2.554 -7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.576 0.958 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.115 1.715 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.989 3.387 -6.421 1.00 0.00 H new ATOM 1342 N GLU A 86 20.274 4.156 -8.626 1.00 0.00 N ATOM 1343 CA GLU A 86 20.706 5.552 -8.797 1.00 0.00 C ATOM 1344 C GLU A 86 20.806 5.980 -10.269 1.00 0.00 C ATOM 1345 O GLU A 86 20.501 7.128 -10.593 1.00 0.00 O ATOM 1346 CB GLU A 86 22.038 5.776 -8.073 1.00 0.00 C ATOM 1347 CG GLU A 86 21.838 5.874 -6.558 1.00 0.00 C ATOM 1348 CD GLU A 86 21.458 7.311 -6.137 1.00 0.00 C ATOM 1349 OE1 GLU A 86 22.351 8.070 -5.684 1.00 0.00 O ATOM 1350 OE2 GLU A 86 20.270 7.694 -6.268 1.00 0.00 O ATOM 0 H GLU A 86 20.960 3.573 -8.146 1.00 0.00 H new ATOM 0 HA GLU A 86 19.936 6.182 -8.353 1.00 0.00 H new ATOM 0 HB2 GLU A 86 22.720 4.956 -8.300 1.00 0.00 H new ATOM 0 HB3 GLU A 86 22.505 6.690 -8.440 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.056 5.182 -6.246 1.00 0.00 H new ATOM 0 HG3 GLU A 86 22.753 5.572 -6.047 1.00 0.00 H new ATOM 1357 N ALA A 87 21.118 5.046 -11.177 1.00 0.00 N ATOM 1358 CA ALA A 87 21.036 5.273 -12.621 1.00 0.00 C ATOM 1359 C ALA A 87 19.595 5.542 -13.084 1.00 0.00 C ATOM 1360 O ALA A 87 19.346 6.423 -13.900 1.00 0.00 O ATOM 1361 CB ALA A 87 21.591 4.033 -13.328 1.00 0.00 C ATOM 0 H ALA A 87 21.435 4.109 -10.927 1.00 0.00 H new ATOM 0 HA ALA A 87 21.619 6.159 -12.872 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.541 4.177 -14.407 1.00 0.00 H new ATOM 0 HB2 ALA A 87 22.628 3.878 -13.030 1.00 0.00 H new ATOM 0 HB3 ALA A 87 20.999 3.161 -13.050 1.00 0.00 H new ATOM 1367 N LEU A 88 18.630 4.788 -12.545 1.00 0.00 N ATOM 1368 CA LEU A 88 17.216 4.815 -12.940 1.00 0.00 C ATOM 1369 C LEU A 88 16.434 5.917 -12.214 1.00 0.00 C ATOM 1370 O LEU A 88 15.424 6.408 -12.717 1.00 0.00 O ATOM 1371 CB LEU A 88 16.611 3.419 -12.691 1.00 0.00 C ATOM 1372 CG LEU A 88 17.381 2.229 -13.297 1.00 0.00 C ATOM 1373 CD1 LEU A 88 16.614 0.954 -13.010 1.00 0.00 C ATOM 1374 CD2 LEU A 88 17.555 2.353 -14.807 1.00 0.00 C ATOM 0 H LEU A 88 18.818 4.120 -11.797 1.00 0.00 H new ATOM 0 HA LEU A 88 17.145 5.056 -14.001 1.00 0.00 H new ATOM 0 HB2 LEU A 88 16.534 3.265 -11.615 1.00 0.00 H new ATOM 0 HB3 LEU A 88 15.596 3.409 -13.088 1.00 0.00 H new ATOM 0 HG LEU A 88 18.372 2.216 -12.844 1.00 0.00 H new ATOM 0 HD11 LEU A 88 17.149 0.104 -13.434 1.00 0.00 H new ATOM 0 HD12 LEU A 88 16.519 0.822 -11.932 1.00 0.00 H new ATOM 0 HD13 LEU A 88 15.622 1.018 -13.457 1.00 0.00 H new ATOM 0 HD21 LEU A 88 18.104 1.489 -15.182 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.576 2.396 -15.284 1.00 0.00 H new ATOM 0 HD23 LEU A 88 18.110 3.263 -15.036 1.00 0.00 H new ATOM 1386 N ASN A 89 16.942 6.376 -11.072 1.00 0.00 N ATOM 1387 CA ASN A 89 16.353 7.423 -10.229 1.00 0.00 C ATOM 1388 C ASN A 89 16.268 8.774 -10.946 1.00 0.00 C ATOM 1389 O ASN A 89 15.318 9.522 -10.734 1.00 0.00 O ATOM 1390 CB ASN A 89 17.147 7.501 -8.908 1.00 0.00 C ATOM 1391 CG ASN A 89 16.486 6.749 -7.769 1.00 0.00 C ATOM 1392 OD1 ASN A 89 15.514 7.189 -7.175 1.00 0.00 O ATOM 1393 ND2 ASN A 89 17.005 5.599 -7.446 1.00 0.00 N ATOM 0 H ASN A 89 17.815 6.014 -10.689 1.00 0.00 H new ATOM 0 HA ASN A 89 15.319 7.160 -10.005 1.00 0.00 H new ATOM 0 HB2 ASN A 89 18.147 7.099 -9.068 1.00 0.00 H new ATOM 0 HB3 ASN A 89 17.266 8.547 -8.624 1.00 0.00 H new ATOM 0 HD21 ASN A 89 16.599 5.052 -6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 89 17.817 5.246 -7.952 1.00 0.00 H new ATOM 1400 N ARG A 90 17.188 9.042 -11.880 1.00 0.00 N ATOM 1401 CA ARG A 90 17.191 10.243 -12.744 1.00 0.00 C ATOM 1402 C ARG A 90 16.557 10.021 -14.130 1.00 0.00 C ATOM 1403 O ARG A 90 16.285 10.988 -14.837 1.00 0.00 O ATOM 1404 CB ARG A 90 18.641 10.742 -12.870 1.00 0.00 C ATOM 1405 CG ARG A 90 19.329 11.108 -11.541 1.00 0.00 C ATOM 1406 CD ARG A 90 18.607 12.214 -10.759 1.00 0.00 C ATOM 1407 NE ARG A 90 19.357 12.585 -9.540 1.00 0.00 N ATOM 1408 CZ ARG A 90 20.307 13.499 -9.421 1.00 0.00 C ATOM 1409 NH1 ARG A 90 20.727 14.207 -10.431 1.00 0.00 N ATOM 1410 NH2 ARG A 90 20.863 13.717 -8.263 1.00 0.00 N ATOM 0 H ARG A 90 17.973 8.418 -12.066 1.00 0.00 H new ATOM 0 HA ARG A 90 16.561 10.996 -12.270 1.00 0.00 H new ATOM 0 HB2 ARG A 90 19.231 9.971 -13.366 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.651 11.618 -13.519 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.393 10.216 -10.917 1.00 0.00 H new ATOM 0 HG3 ARG A 90 20.351 11.428 -11.746 1.00 0.00 H new ATOM 0 HD2 ARG A 90 18.484 13.091 -11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 90 17.607 11.876 -10.485 1.00 0.00 H new ATOM 0 HE ARG A 90 19.113 12.076 -8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 90 20.321 14.067 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 90 21.462 14.902 -10.296 1.00 0.00 H new ATOM 0 HH21 ARG A 90 20.566 13.183 -7.446 1.00 0.00 H new ATOM 0 HH22 ARG A 90 21.595 14.422 -8.173 1.00 0.00 H new ATOM 1424 N ARG A 91 16.258 8.763 -14.489 1.00 0.00 N ATOM 1425 CA ARG A 91 15.570 8.381 -15.745 1.00 0.00 C ATOM 1426 C ARG A 91 14.051 8.431 -15.590 1.00 0.00 C ATOM 1427 O ARG A 91 13.361 9.035 -16.406 1.00 0.00 O ATOM 1428 CB ARG A 91 15.997 6.968 -16.179 1.00 0.00 C ATOM 1429 CG ARG A 91 17.463 6.869 -16.620 1.00 0.00 C ATOM 1430 CD ARG A 91 17.878 5.394 -16.777 1.00 0.00 C ATOM 1431 NE ARG A 91 18.286 5.085 -18.165 1.00 0.00 N ATOM 1432 CZ ARG A 91 17.584 4.518 -19.132 1.00 0.00 C ATOM 1433 NH1 ARG A 91 16.354 4.117 -18.970 1.00 0.00 N ATOM 1434 NH2 ARG A 91 18.120 4.342 -20.305 1.00 0.00 N ATOM 0 H ARG A 91 16.491 7.960 -13.905 1.00 0.00 H new ATOM 0 HA ARG A 91 15.860 9.101 -16.510 1.00 0.00 H new ATOM 0 HB2 ARG A 91 15.829 6.278 -15.352 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.358 6.642 -17.000 1.00 0.00 H new ATOM 0 HG2 ARG A 91 17.602 7.395 -17.565 1.00 0.00 H new ATOM 0 HG3 ARG A 91 18.104 7.358 -15.886 1.00 0.00 H new ATOM 0 HD2 ARG A 91 18.702 5.173 -16.098 1.00 0.00 H new ATOM 0 HD3 ARG A 91 17.047 4.750 -16.490 1.00 0.00 H new ATOM 0 HE ARG A 91 19.241 5.345 -18.410 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.894 4.236 -18.068 1.00 0.00 H new ATOM 0 HH12 ARG A 91 15.852 3.685 -19.746 1.00 0.00 H new ATOM 0 HH21 ARG A 91 19.080 4.641 -20.477 1.00 0.00 H new ATOM 0 HH22 ARG A 91 17.580 3.905 -21.052 1.00 0.00 H new ATOM 1448 N GLN A 92 13.553 7.781 -14.531 1.00 0.00 N ATOM 1449 CA GLN A 92 12.111 7.548 -14.335 1.00 0.00 C ATOM 1450 C GLN A 92 11.585 7.607 -12.900 1.00 0.00 C ATOM 1451 O GLN A 92 10.488 8.124 -12.698 1.00 0.00 O ATOM 1452 CB GLN A 92 11.721 6.206 -14.982 1.00 0.00 C ATOM 1453 CG GLN A 92 12.611 4.999 -14.613 1.00 0.00 C ATOM 1454 CD GLN A 92 12.044 3.691 -15.166 1.00 0.00 C ATOM 1455 OE1 GLN A 92 12.504 3.158 -16.165 1.00 0.00 O ATOM 1456 NE2 GLN A 92 11.022 3.134 -14.548 1.00 0.00 N ATOM 0 H GLN A 92 14.135 7.401 -13.785 1.00 0.00 H new ATOM 0 HA GLN A 92 11.631 8.398 -14.820 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.693 5.975 -14.703 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.737 6.328 -16.065 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.616 5.155 -15.004 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.698 4.929 -13.529 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.631 3.571 -13.713 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.622 2.266 -14.904 1.00 0.00 H new ATOM 1465 N ILE A 93 12.326 7.105 -11.900 1.00 0.00 N ATOM 1466 CA ILE A 93 11.770 6.912 -10.534 1.00 0.00 C ATOM 1467 C ILE A 93 11.464 8.258 -9.852 1.00 0.00 C ATOM 1468 O ILE A 93 10.612 8.318 -8.972 1.00 0.00 O ATOM 1469 CB ILE A 93 12.644 5.976 -9.648 1.00 0.00 C ATOM 1470 CG1 ILE A 93 13.168 4.743 -10.432 1.00 0.00 C ATOM 1471 CG2 ILE A 93 11.845 5.510 -8.416 1.00 0.00 C ATOM 1472 CD1 ILE A 93 14.012 3.741 -9.628 1.00 0.00 C ATOM 0 H ILE A 93 13.302 6.825 -12.000 1.00 0.00 H new ATOM 0 HA ILE A 93 10.820 6.392 -10.655 1.00 0.00 H new ATOM 0 HB ILE A 93 13.510 6.555 -9.328 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.312 4.213 -10.850 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.765 5.098 -11.272 1.00 0.00 H new ATOM 0 HG21 ILE A 93 12.467 4.856 -7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.543 6.377 -7.829 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.958 4.966 -8.742 1.00 0.00 H new ATOM 0 HD11 ILE A 93 14.322 2.923 -10.278 1.00 0.00 H new ATOM 0 HD12 ILE A 93 14.894 4.244 -9.232 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.419 3.345 -8.804 1.00 0.00 H new ATOM 1484 N ASN A 94 12.047 9.363 -10.333 1.00 0.00 N ATOM 1485 CA ASN A 94 11.710 10.736 -9.898 1.00 0.00 C ATOM 1486 C ASN A 94 10.202 11.038 -9.944 1.00 0.00 C ATOM 1487 O ASN A 94 9.682 11.690 -9.043 1.00 0.00 O ATOM 1488 CB ASN A 94 12.507 11.798 -10.667 1.00 0.00 C ATOM 1489 CG ASN A 94 12.598 11.538 -12.147 1.00 0.00 C ATOM 1490 OD1 ASN A 94 11.744 11.899 -12.940 1.00 0.00 O ATOM 1491 ND2 ASN A 94 13.627 10.825 -12.527 1.00 0.00 N ATOM 0 H ASN A 94 12.777 9.335 -11.045 1.00 0.00 H new ATOM 0 HA ASN A 94 12.006 10.787 -8.850 1.00 0.00 H new ATOM 0 HB2 ASN A 94 12.045 12.772 -10.507 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.515 11.852 -10.255 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.729 10.558 -13.506 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.327 10.536 -11.844 1.00 0.00 H new ATOM 1498 N GLN A 95 9.490 10.496 -10.934 1.00 0.00 N ATOM 1499 CA GLN A 95 8.031 10.625 -11.059 1.00 0.00 C ATOM 1500 C GLN A 95 7.303 9.963 -9.873 1.00 0.00 C ATOM 1501 O GLN A 95 6.419 10.563 -9.262 1.00 0.00 O ATOM 1502 CB GLN A 95 7.577 9.986 -12.382 1.00 0.00 C ATOM 1503 CG GLN A 95 8.222 10.622 -13.628 1.00 0.00 C ATOM 1504 CD GLN A 95 7.925 9.811 -14.884 1.00 0.00 C ATOM 1505 OE1 GLN A 95 7.176 10.208 -15.768 1.00 0.00 O ATOM 1506 NE2 GLN A 95 8.507 8.635 -14.997 1.00 0.00 N ATOM 0 H GLN A 95 9.913 9.947 -11.683 1.00 0.00 H new ATOM 0 HA GLN A 95 7.776 11.685 -11.053 1.00 0.00 H new ATOM 0 HB2 GLN A 95 7.815 8.923 -12.363 1.00 0.00 H new ATOM 0 HB3 GLN A 95 6.493 10.068 -12.462 1.00 0.00 H new ATOM 0 HG2 GLN A 95 7.850 11.639 -13.753 1.00 0.00 H new ATOM 0 HG3 GLN A 95 9.300 10.693 -13.485 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.131 8.302 -14.262 1.00 0.00 H new ATOM 0 HE22 GLN A 95 8.334 8.057 -15.819 1.00 0.00 H new ATOM 1515 N ALA A 96 7.719 8.747 -9.506 1.00 0.00 N ATOM 1516 CA ALA A 96 7.135 7.976 -8.409 1.00 0.00 C ATOM 1517 C ALA A 96 7.489 8.572 -7.036 1.00 0.00 C ATOM 1518 O ALA A 96 6.594 8.811 -6.227 1.00 0.00 O ATOM 1519 CB ALA A 96 7.591 6.518 -8.541 1.00 0.00 C ATOM 0 H ALA A 96 8.486 8.264 -9.973 1.00 0.00 H new ATOM 0 HA ALA A 96 6.048 8.018 -8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.164 5.928 -7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.255 6.117 -9.497 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.679 6.471 -8.490 1.00 0.00 H new ATOM 1525 N LEU A 97 8.768 8.894 -6.792 1.00 0.00 N ATOM 1526 CA LEU A 97 9.218 9.453 -5.503 1.00 0.00 C ATOM 1527 C LEU A 97 8.673 10.865 -5.221 1.00 0.00 C ATOM 1528 O LEU A 97 8.455 11.234 -4.066 1.00 0.00 O ATOM 1529 CB LEU A 97 10.751 9.350 -5.390 1.00 0.00 C ATOM 1530 CG LEU A 97 11.588 10.129 -6.426 1.00 0.00 C ATOM 1531 CD1 LEU A 97 11.901 11.561 -5.982 1.00 0.00 C ATOM 1532 CD2 LEU A 97 12.926 9.423 -6.661 1.00 0.00 C ATOM 0 H LEU A 97 9.516 8.777 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 97 8.785 8.846 -4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.040 9.692 -4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.025 8.297 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 97 10.986 10.164 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 97 12.492 12.059 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.970 12.106 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 97 12.465 11.538 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 97 13.508 9.982 -7.394 1.00 0.00 H new ATOM 0 HD22 LEU A 97 13.479 9.369 -5.723 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.745 8.415 -7.034 1.00 0.00 H new ATOM 1544 N LEU A 98 8.383 11.632 -6.275 1.00 0.00 N ATOM 1545 CA LEU A 98 7.639 12.892 -6.189 1.00 0.00 C ATOM 1546 C LEU A 98 6.160 12.638 -5.855 1.00 0.00 C ATOM 1547 O LEU A 98 5.601 13.304 -4.983 1.00 0.00 O ATOM 1548 CB LEU A 98 7.787 13.653 -7.519 1.00 0.00 C ATOM 1549 CG LEU A 98 6.925 14.924 -7.614 1.00 0.00 C ATOM 1550 CD1 LEU A 98 7.335 15.988 -6.595 1.00 0.00 C ATOM 1551 CD2 LEU A 98 7.049 15.528 -9.013 1.00 0.00 C ATOM 0 H LEU A 98 8.662 11.392 -7.226 1.00 0.00 H new ATOM 0 HA LEU A 98 8.049 13.499 -5.382 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.834 13.926 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.522 12.985 -8.339 1.00 0.00 H new ATOM 0 HG LEU A 98 5.898 14.625 -7.403 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.695 16.863 -6.705 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.230 15.586 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.373 16.274 -6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.437 16.428 -9.076 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.091 15.783 -9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.708 14.804 -9.753 1.00 0.00 H new ATOM 1563 N SER A 99 5.531 11.671 -6.536 1.00 0.00 N ATOM 1564 CA SER A 99 4.112 11.343 -6.347 1.00 0.00 C ATOM 1565 C SER A 99 3.805 10.835 -4.928 1.00 0.00 C ATOM 1566 O SER A 99 2.745 11.139 -4.371 1.00 0.00 O ATOM 1567 CB SER A 99 3.677 10.314 -7.398 1.00 0.00 C ATOM 1568 OG SER A 99 2.271 10.114 -7.358 1.00 0.00 O ATOM 0 H SER A 99 5.994 11.092 -7.236 1.00 0.00 H new ATOM 0 HA SER A 99 3.541 12.263 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.972 10.655 -8.391 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.188 9.368 -7.220 1.00 0.00 H new ATOM 0 HG SER A 99 2.015 9.455 -8.037 1.00 0.00 H new ATOM 1574 N THR A 100 4.752 10.125 -4.305 1.00 0.00 N ATOM 1575 CA THR A 100 4.647 9.649 -2.910 1.00 0.00 C ATOM 1576 C THR A 100 5.079 10.707 -1.889 1.00 0.00 C ATOM 1577 O THR A 100 4.430 10.859 -0.851 1.00 0.00 O ATOM 1578 CB THR A 100 5.449 8.362 -2.674 1.00 0.00 C ATOM 1579 OG1 THR A 100 6.816 8.572 -2.966 1.00 0.00 O ATOM 1580 CG2 THR A 100 4.941 7.194 -3.523 1.00 0.00 C ATOM 0 H THR A 100 5.627 9.858 -4.756 1.00 0.00 H new ATOM 0 HA THR A 100 3.588 9.439 -2.760 1.00 0.00 H new ATOM 0 HB THR A 100 5.320 8.105 -1.623 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.315 7.743 -2.810 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.542 6.308 -3.319 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.899 6.991 -3.276 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.020 7.451 -4.579 1.00 0.00 H new ATOM 1588 N GLY A 101 6.140 11.468 -2.184 1.00 0.00 N ATOM 1589 CA GLY A 101 6.640 12.564 -1.347 1.00 0.00 C ATOM 1590 C GLY A 101 7.339 12.132 -0.047 1.00 0.00 C ATOM 1591 O GLY A 101 7.527 12.959 0.849 1.00 0.00 O ATOM 0 H GLY A 101 6.688 11.335 -3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.339 13.159 -1.935 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.804 13.215 -1.092 1.00 0.00 H new ATOM 1595 N ASP A 102 7.708 10.854 0.080 1.00 0.00 N ATOM 1596 CA ASP A 102 8.404 10.313 1.260 1.00 0.00 C ATOM 1597 C ASP A 102 9.882 10.755 1.354 1.00 0.00 C ATOM 1598 O ASP A 102 10.509 11.155 0.366 1.00 0.00 O ATOM 1599 CB ASP A 102 8.285 8.782 1.298 1.00 0.00 C ATOM 1600 CG ASP A 102 6.861 8.312 1.646 1.00 0.00 C ATOM 1601 OD1 ASP A 102 6.232 7.600 0.827 1.00 0.00 O ATOM 1602 OD2 ASP A 102 6.379 8.621 2.764 1.00 0.00 O ATOM 0 H ASP A 102 7.531 10.154 -0.641 1.00 0.00 H new ATOM 0 HA ASP A 102 7.907 10.733 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.573 8.374 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.986 8.384 2.032 1.00 0.00 H new ATOM 1607 N LEU A 103 10.446 10.674 2.566 1.00 0.00 N ATOM 1608 CA LEU A 103 11.817 11.097 2.883 1.00 0.00 C ATOM 1609 C LEU A 103 12.886 10.202 2.232 1.00 0.00 C ATOM 1610 O LEU A 103 12.796 8.973 2.269 1.00 0.00 O ATOM 1611 CB LEU A 103 11.969 11.167 4.417 1.00 0.00 C ATOM 1612 CG LEU A 103 13.399 11.430 4.942 1.00 0.00 C ATOM 1613 CD1 LEU A 103 13.341 12.264 6.222 1.00 0.00 C ATOM 1614 CD2 LEU A 103 14.147 10.140 5.293 1.00 0.00 C ATOM 0 H LEU A 103 9.948 10.303 3.375 1.00 0.00 H new ATOM 0 HA LEU A 103 11.985 12.086 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.315 11.954 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.614 10.228 4.841 1.00 0.00 H new ATOM 0 HG LEU A 103 13.924 11.946 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 103 14.353 12.444 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 103 12.855 13.217 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 103 12.774 11.726 6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 103 15.145 10.385 5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 103 13.601 9.602 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 103 14.228 9.513 4.405 1.00 0.00 H new ATOM 1626 N ALA A 104 13.939 10.848 1.718 1.00 0.00 N ATOM 1627 CA ALA A 104 15.212 10.227 1.342 1.00 0.00 C ATOM 1628 C ALA A 104 16.341 11.285 1.291 1.00 0.00 C ATOM 1629 O ALA A 104 16.606 11.874 0.240 1.00 0.00 O ATOM 1630 CB ALA A 104 15.045 9.503 -0.007 1.00 0.00 C ATOM 0 H ALA A 104 13.926 11.853 1.547 1.00 0.00 H new ATOM 0 HA ALA A 104 15.498 9.492 2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.990 9.039 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.277 8.735 0.085 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.750 10.222 -0.771 1.00 0.00 H new ATOM 1636 N HIS A 105 16.989 11.540 2.441 1.00 0.00 N ATOM 1637 CA HIS A 105 18.030 12.582 2.579 1.00 0.00 C ATOM 1638 C HIS A 105 19.436 12.028 2.855 1.00 0.00 C ATOM 1639 O HIS A 105 20.382 12.386 2.150 1.00 0.00 O ATOM 1640 CB HIS A 105 17.617 13.597 3.657 1.00 0.00 C ATOM 1641 CG HIS A 105 16.342 14.349 3.352 1.00 0.00 C ATOM 1642 ND1 HIS A 105 16.016 14.948 2.130 1.00 0.00 N ATOM 1643 CD2 HIS A 105 15.337 14.594 4.242 1.00 0.00 C ATOM 1644 CE1 HIS A 105 14.817 15.532 2.312 1.00 0.00 C ATOM 1645 NE2 HIS A 105 14.385 15.328 3.568 1.00 0.00 N ATOM 0 H HIS A 105 16.807 11.030 3.305 1.00 0.00 H new ATOM 0 HA HIS A 105 18.100 13.079 1.611 1.00 0.00 H new ATOM 0 HB2 HIS A 105 17.497 13.073 4.605 1.00 0.00 H new ATOM 0 HB3 HIS A 105 18.425 14.316 3.790 1.00 0.00 H new ATOM 0 HD2 HIS A 105 15.296 14.275 5.273 1.00 0.00 H new ATOM 0 HE1 HIS A 105 14.279 16.085 1.557 1.00 0.00 H new ATOM 0 HE2 HIS A 105 13.502 15.660 3.957 1.00 0.00 H new ATOM 1653 N ASP A 106 19.583 11.164 3.866 1.00 0.00 N ATOM 1654 CA ASP A 106 20.877 10.623 4.325 1.00 0.00 C ATOM 1655 C ASP A 106 20.745 9.171 4.847 1.00 0.00 C ATOM 1656 O ASP A 106 21.358 8.775 5.841 1.00 0.00 O ATOM 1657 CB ASP A 106 21.471 11.591 5.366 1.00 0.00 C ATOM 1658 CG ASP A 106 22.939 11.284 5.725 1.00 0.00 C ATOM 1659 OD1 ASP A 106 23.295 11.350 6.928 1.00 0.00 O ATOM 1660 OD2 ASP A 106 23.762 11.041 4.809 1.00 0.00 O ATOM 0 H ASP A 106 18.791 10.811 4.403 1.00 0.00 H new ATOM 0 HA ASP A 106 21.568 10.554 3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 106 21.404 12.609 4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 106 20.868 11.551 6.273 1.00 0.00 H new ATOM 1665 N GLU A 107 19.884 8.376 4.201 1.00 0.00 N ATOM 1666 CA GLU A 107 19.504 7.030 4.671 1.00 0.00 C ATOM 1667 C GLU A 107 20.608 5.968 4.492 1.00 0.00 C ATOM 1668 O GLU A 107 20.672 5.012 5.273 1.00 0.00 O ATOM 1669 CB GLU A 107 18.223 6.580 3.951 1.00 0.00 C ATOM 1670 CG GLU A 107 16.976 7.391 4.337 1.00 0.00 C ATOM 1671 CD GLU A 107 16.596 7.190 5.819 1.00 0.00 C ATOM 1672 OE1 GLU A 107 16.964 8.035 6.670 1.00 0.00 O ATOM 1673 OE2 GLU A 107 15.925 6.178 6.146 1.00 0.00 O ATOM 0 H GLU A 107 19.426 8.647 3.331 1.00 0.00 H new ATOM 0 HA GLU A 107 19.338 7.112 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.376 6.657 2.875 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.043 5.528 4.173 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.158 8.449 4.149 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.140 7.094 3.704 1.00 0.00 H new ATOM 1680 N PHE A 108 21.479 6.149 3.490 1.00 0.00 N ATOM 1681 CA PHE A 108 22.599 5.262 3.135 1.00 0.00 C ATOM 1682 C PHE A 108 23.874 6.056 2.783 1.00 0.00 C ATOM 1683 O PHE A 108 24.949 5.728 3.335 1.00 0.00 O ATOM 1684 CB PHE A 108 22.190 4.331 1.981 1.00 0.00 C ATOM 1685 CG PHE A 108 21.093 3.335 2.314 1.00 0.00 C ATOM 1686 CD1 PHE A 108 21.425 2.061 2.820 1.00 0.00 C ATOM 1687 CD2 PHE A 108 19.740 3.675 2.121 1.00 0.00 C ATOM 1688 CE1 PHE A 108 20.411 1.135 3.126 1.00 0.00 C ATOM 1689 CE2 PHE A 108 18.724 2.750 2.430 1.00 0.00 C ATOM 1690 CZ PHE A 108 19.061 1.478 2.930 1.00 0.00 C ATOM 0 H PHE A 108 21.420 6.959 2.873 1.00 0.00 H new ATOM 0 HA PHE A 108 22.836 4.655 4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 108 21.861 4.942 1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 108 23.070 3.781 1.649 1.00 0.00 H new ATOM 0 HD1 PHE A 108 22.461 1.796 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 108 19.480 4.649 1.734 1.00 0.00 H new ATOM 0 HE1 PHE A 108 20.669 0.160 3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 108 17.688 3.016 2.284 1.00 0.00 H new ATOM 0 HZ PHE A 108 18.283 0.766 3.163 1.00 0.00 H new TER 1700 PHE A 108