USER MOD reduce.3.24.130724 H: found=0, std=0, add=1005, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1005 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -2 X(o=-2,f=-2.1) USER MOD Single : A 8 SER OG : rot 150:sc= 0.0435 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 45:sc=0.000401 USER MOD Single : A 16 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.22) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.135 K(o=-0.14,f=-2.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0642) USER MOD Single : A 24 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0466) USER MOD Single : A 25 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.601) USER MOD Single : A 26 TYR OH : rot -68:sc= 1.83 USER MOD Single : A 28 THR OG1 : rot 84:sc= 0.0691 USER MOD Single : A 30 SER OG : rot 180:sc= -0.196 USER MOD Single : A 31 SER OG : rot 161:sc= 0.513 USER MOD Single : A 32 ASN : amide:sc= -0.954 K(o=-0.95,f=-2.5!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -4! C(o=-4!,f=-4.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.4) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -7.55! K(o=-7.6!,f=-1.6) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 23:sc= 0.82 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 162:sc= -11.9! (180deg=-13.2!) USER MOD Single : A 58 THR OG1 : rot 102:sc= -1.78! USER MOD Single : A 59 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 140:sc= -0.292 (180deg=-1.87!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.2) USER MOD Single : A 96 SER OG : rot 91:sc= 0.103 USER MOD Single : A 97 SER OG : rot 180:sc= 0.00246 USER MOD Single : A 98 THR OG1 : rot -22:sc= 1.15 USER MOD Single : A 100 GLN : amide:sc= -0.0418 K(o=-0.042,f=-0.56) USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.0381 USER MOD Single : A 103 HIS : no HD1:sc= -8.61! C(o=-8.6!,f=-11!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -7.87! C(o=-7.9!,f=-17!) USER MOD Single : A 126 SER OG : rot 170:sc= -0.126 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -16.474 -17.242 14.140 1.00 0.00 N ATOM 2 CA ARG A 1 -15.758 -16.238 14.972 1.00 0.00 C ATOM 3 C ARG A 1 -14.613 -15.594 14.198 1.00 0.00 C ATOM 4 O ARG A 1 -13.464 -16.023 14.299 1.00 0.00 O ATOM 5 CB ARG A 1 -15.222 -16.934 16.224 1.00 0.00 C ATOM 6 CG ARG A 1 -14.564 -15.984 17.212 1.00 0.00 C ATOM 7 CD ARG A 1 -14.884 -16.362 18.649 1.00 0.00 C ATOM 8 NE ARG A 1 -13.877 -15.866 19.583 1.00 0.00 N ATOM 9 CZ ARG A 1 -13.798 -14.599 19.983 1.00 0.00 C ATOM 10 NH1 ARG A 1 -14.661 -13.699 19.533 1.00 0.00 N ATOM 11 NH2 ARG A 1 -12.852 -14.231 20.837 1.00 0.00 N ATOM 0 H1 ARG A 1 -17.247 -17.663 14.693 1.00 0.00 H new ATOM 0 H2 ARG A 1 -16.865 -16.778 13.296 1.00 0.00 H new ATOM 0 H3 ARG A 1 -15.811 -17.988 13.849 1.00 0.00 H new ATOM 0 HA ARG A 1 -16.453 -15.445 15.250 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -16.042 -17.452 16.721 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -14.499 -17.694 15.926 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -13.484 -15.995 17.064 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -14.902 -14.966 17.019 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -15.860 -15.960 18.921 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -14.952 -17.447 18.732 1.00 0.00 H new ATOM 0 HE ARG A 1 -13.194 -16.529 19.950 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -15.391 -13.976 18.876 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -14.595 -12.730 19.843 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -12.185 -14.919 21.187 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -12.791 -13.260 21.144 1.00 0.00 H new ATOM 27 N ALA A 2 -14.937 -14.565 13.423 1.00 0.00 N ATOM 28 CA ALA A 2 -13.938 -13.860 12.630 1.00 0.00 C ATOM 29 C ALA A 2 -13.653 -12.481 13.213 1.00 0.00 C ATOM 30 O ALA A 2 -14.347 -12.026 14.122 1.00 0.00 O ATOM 31 CB ALA A 2 -14.398 -13.740 11.185 1.00 0.00 C ATOM 0 H ALA A 2 -15.885 -14.201 13.327 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.014 -14.437 12.657 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.642 -13.211 10.605 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.546 -14.735 10.766 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.337 -13.187 11.147 1.00 0.00 H new ATOM 37 N ILE A 3 -12.630 -11.816 12.683 1.00 0.00 N ATOM 38 CA ILE A 3 -12.258 -10.489 13.151 1.00 0.00 C ATOM 39 C ILE A 3 -12.096 -9.519 11.983 1.00 0.00 C ATOM 40 O ILE A 3 -11.426 -9.830 10.998 1.00 0.00 O ATOM 41 CB ILE A 3 -10.946 -10.518 13.959 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.957 -11.673 14.966 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.734 -9.190 14.670 1.00 0.00 C ATOM 44 CD1 ILE A 3 -9.932 -12.746 14.666 1.00 0.00 C ATOM 0 H ILE A 3 -12.045 -12.177 11.929 1.00 0.00 H new ATOM 0 HA ILE A 3 -13.066 -10.149 13.798 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.118 -10.677 13.268 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.774 -11.276 15.964 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.949 -12.123 14.979 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.804 -9.225 15.237 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.681 -8.388 13.934 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.566 -9.004 15.349 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.997 -13.531 15.419 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.127 -13.170 13.681 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.933 -12.310 14.682 1.00 0.00 H new ATOM 56 N PRO A 4 -12.706 -8.322 12.071 1.00 0.00 N ATOM 57 CA PRO A 4 -12.618 -7.312 11.012 1.00 0.00 C ATOM 58 C PRO A 4 -11.182 -6.872 10.752 1.00 0.00 C ATOM 59 O PRO A 4 -10.447 -6.531 11.677 1.00 0.00 O ATOM 60 CB PRO A 4 -13.443 -6.138 11.550 1.00 0.00 C ATOM 61 CG PRO A 4 -14.309 -6.724 12.612 1.00 0.00 C ATOM 62 CD PRO A 4 -13.525 -7.859 13.204 1.00 0.00 C ATOM 0 HA PRO A 4 -12.981 -7.698 10.059 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.799 -5.356 11.953 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -14.041 -5.683 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.553 -5.981 13.371 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -15.253 -7.077 12.196 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.908 -7.530 14.040 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -14.177 -8.648 13.579 1.00 0.00 H new ATOM 70 N ILE A 5 -10.798 -6.878 9.483 1.00 0.00 N ATOM 71 CA ILE A 5 -9.454 -6.472 9.087 1.00 0.00 C ATOM 72 C ILE A 5 -9.425 -5.006 8.659 1.00 0.00 C ATOM 73 O ILE A 5 -8.370 -4.373 8.655 1.00 0.00 O ATOM 74 CB ILE A 5 -8.915 -7.349 7.941 1.00 0.00 C ATOM 75 CG1 ILE A 5 -9.113 -8.830 8.269 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.444 -7.050 7.691 1.00 0.00 C ATOM 77 CD1 ILE A 5 -8.477 -9.252 9.576 1.00 0.00 C ATOM 0 H ILE A 5 -11.398 -7.160 8.708 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.814 -6.602 9.959 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.472 -7.118 7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -10.181 -9.045 8.308 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.696 -9.431 7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.078 -7.678 6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.327 -6.001 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.872 -7.257 8.595 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.658 -10.314 9.743 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.403 -9.069 9.534 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.911 -8.677 10.394 1.00 0.00 H new ATOM 89 N LYS A 6 -10.595 -4.471 8.318 1.00 0.00 N ATOM 90 CA LYS A 6 -10.727 -3.075 7.908 1.00 0.00 C ATOM 91 C LYS A 6 -12.157 -2.805 7.499 1.00 0.00 C ATOM 92 O LYS A 6 -12.609 -3.288 6.478 1.00 0.00 O ATOM 93 CB LYS A 6 -9.807 -2.745 6.723 1.00 0.00 C ATOM 94 CG LYS A 6 -8.886 -1.559 6.952 1.00 0.00 C ATOM 95 CD LYS A 6 -8.074 -1.699 8.232 1.00 0.00 C ATOM 96 CE LYS A 6 -7.699 -0.340 8.806 1.00 0.00 C ATOM 97 NZ LYS A 6 -8.048 -0.233 10.249 1.00 0.00 N ATOM 0 H LYS A 6 -11.474 -4.989 8.318 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.442 -2.450 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.200 -3.621 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.423 -2.547 5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.209 -1.458 6.104 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.478 -0.645 6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.648 -2.260 8.969 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.169 -2.272 8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.629 -0.174 8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.212 0.444 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.777 0.707 10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.072 -0.366 10.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.539 -0.965 10.785 1.00 0.00 H new ATOM 111 N GLN A 7 -12.865 -2.025 8.283 1.00 0.00 N ATOM 112 CA GLN A 7 -14.247 -1.704 7.960 1.00 0.00 C ATOM 113 C GLN A 7 -14.478 -0.203 8.048 1.00 0.00 C ATOM 114 O GLN A 7 -14.439 0.380 9.131 1.00 0.00 O ATOM 115 CB GLN A 7 -15.202 -2.440 8.899 1.00 0.00 C ATOM 116 CG GLN A 7 -15.024 -2.064 10.360 1.00 0.00 C ATOM 117 CD GLN A 7 -15.033 -3.271 11.278 1.00 0.00 C ATOM 118 OE1 GLN A 7 -15.842 -4.184 11.115 1.00 0.00 O ATOM 119 NE2 GLN A 7 -14.129 -3.280 12.252 1.00 0.00 N ATOM 0 H GLN A 7 -12.516 -1.601 9.143 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.445 -2.029 6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -16.228 -2.228 8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -15.053 -3.514 8.788 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -14.083 -1.527 10.481 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -15.821 -1.381 10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -13.477 -2.501 12.350 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -14.087 -4.065 12.901 1.00 0.00 H new ATOM 128 N SER A 8 -14.715 0.420 6.901 1.00 0.00 N ATOM 129 CA SER A 8 -14.947 1.859 6.854 1.00 0.00 C ATOM 130 C SER A 8 -15.522 2.282 5.507 1.00 0.00 C ATOM 131 O SER A 8 -15.814 1.444 4.654 1.00 0.00 O ATOM 132 CB SER A 8 -13.642 2.613 7.122 1.00 0.00 C ATOM 133 OG SER A 8 -12.523 1.873 6.669 1.00 0.00 O ATOM 0 H SER A 8 -14.752 -0.045 5.994 1.00 0.00 H new ATOM 0 HA SER A 8 -15.673 2.107 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.668 3.581 6.622 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.544 2.809 8.190 1.00 0.00 H new ATOM 0 HG SER A 8 -11.811 2.490 6.398 1.00 0.00 H new ATOM 139 N PHE A 9 -15.683 3.588 5.326 1.00 0.00 N ATOM 140 CA PHE A 9 -16.228 4.127 4.087 1.00 0.00 C ATOM 141 C PHE A 9 -15.165 4.165 2.996 1.00 0.00 C ATOM 142 O PHE A 9 -13.977 4.328 3.274 1.00 0.00 O ATOM 143 CB PHE A 9 -16.787 5.537 4.313 1.00 0.00 C ATOM 144 CG PHE A 9 -17.405 5.738 5.669 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.115 4.717 6.282 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.275 6.948 6.330 1.00 0.00 C ATOM 147 CE1 PHE A 9 -18.683 4.900 7.529 1.00 0.00 C ATOM 148 CE2 PHE A 9 -17.839 7.138 7.577 1.00 0.00 C ATOM 149 CZ PHE A 9 -18.545 6.113 8.177 1.00 0.00 C ATOM 0 H PHE A 9 -15.443 4.293 6.023 1.00 0.00 H new ATOM 0 HA PHE A 9 -17.036 3.470 3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -15.983 6.261 4.180 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.535 5.747 3.549 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.226 3.768 5.779 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -16.726 7.753 5.865 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.234 4.097 7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -17.728 8.086 8.082 1.00 0.00 H new ATOM 0 HZ PHE A 9 -18.988 6.259 9.151 1.00 0.00 H new ATOM 159 N LEU A 10 -15.604 4.016 1.752 1.00 0.00 N ATOM 160 CA LEU A 10 -14.699 4.036 0.610 1.00 0.00 C ATOM 161 C LEU A 10 -15.360 4.702 -0.586 1.00 0.00 C ATOM 162 O LEU A 10 -16.578 4.637 -0.751 1.00 0.00 O ATOM 163 CB LEU A 10 -14.278 2.612 0.238 1.00 0.00 C ATOM 164 CG LEU A 10 -12.992 2.118 0.901 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.288 1.558 2.284 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.312 1.068 0.032 1.00 0.00 C ATOM 0 H LEU A 10 -16.585 3.880 1.508 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.815 4.609 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -15.088 1.931 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -14.154 2.558 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.313 2.964 1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.362 1.211 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.730 2.337 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.985 0.724 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.398 0.728 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.984 0.222 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.066 1.502 -0.937 1.00 0.00 H new ATOM 178 N LEU A 11 -14.554 5.336 -1.427 1.00 0.00 N ATOM 179 CA LEU A 11 -15.075 5.999 -2.616 1.00 0.00 C ATOM 180 C LEU A 11 -15.113 5.020 -3.785 1.00 0.00 C ATOM 181 O LEU A 11 -14.177 4.251 -3.983 1.00 0.00 O ATOM 182 CB LEU A 11 -14.222 7.221 -2.966 1.00 0.00 C ATOM 183 CG LEU A 11 -14.949 8.565 -2.881 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.561 8.754 -1.503 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.996 9.706 -3.205 1.00 0.00 C ATOM 0 H LEU A 11 -13.543 5.406 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 11 -16.090 6.339 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.362 7.248 -2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.836 7.098 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.754 8.570 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -16.074 9.715 -1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -16.275 7.953 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.774 8.729 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.529 10.655 -3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -13.171 9.704 -2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.605 9.578 -4.214 1.00 0.00 H new ATOM 197 N LYS A 12 -16.201 5.044 -4.551 1.00 0.00 N ATOM 198 CA LYS A 12 -16.345 4.141 -5.690 1.00 0.00 C ATOM 199 C LYS A 12 -16.735 4.899 -6.954 1.00 0.00 C ATOM 200 O LYS A 12 -17.755 5.587 -6.990 1.00 0.00 O ATOM 201 CB LYS A 12 -17.388 3.067 -5.384 1.00 0.00 C ATOM 202 CG LYS A 12 -17.048 1.704 -5.967 1.00 0.00 C ATOM 203 CD LYS A 12 -17.155 1.703 -7.486 1.00 0.00 C ATOM 204 CE LYS A 12 -15.822 1.377 -8.141 1.00 0.00 C ATOM 205 NZ LYS A 12 -15.980 1.022 -9.578 1.00 0.00 N ATOM 0 H LYS A 12 -16.990 5.674 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.379 3.667 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.495 2.974 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.354 3.389 -5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -16.037 1.423 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.721 0.952 -5.554 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.902 0.974 -7.798 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.500 2.679 -7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.154 2.234 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.351 0.548 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.048 0.807 -9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.597 0.189 -9.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.406 1.822 -10.088 1.00 0.00 H new ATOM 219 N ARG A 13 -15.916 4.760 -7.995 1.00 0.00 N ATOM 220 CA ARG A 13 -16.164 5.423 -9.273 1.00 0.00 C ATOM 221 C ARG A 13 -17.594 5.189 -9.751 1.00 0.00 C ATOM 222 O ARG A 13 -18.185 4.142 -9.487 1.00 0.00 O ATOM 223 CB ARG A 13 -15.179 4.922 -10.333 1.00 0.00 C ATOM 224 CG ARG A 13 -13.743 4.840 -9.843 1.00 0.00 C ATOM 225 CD ARG A 13 -12.763 4.749 -11.001 1.00 0.00 C ATOM 226 NE ARG A 13 -13.070 3.635 -11.894 1.00 0.00 N ATOM 227 CZ ARG A 13 -12.249 3.201 -12.849 1.00 0.00 C ATOM 228 NH1 ARG A 13 -11.073 3.786 -13.036 1.00 0.00 N ATOM 229 NH2 ARG A 13 -12.605 2.180 -13.616 1.00 0.00 N ATOM 0 H ARG A 13 -15.070 4.190 -7.977 1.00 0.00 H new ATOM 0 HA ARG A 13 -16.022 6.493 -9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -15.495 3.935 -10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -15.221 5.585 -11.197 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.513 5.718 -9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.627 3.969 -9.198 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.782 5.681 -11.565 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.752 4.633 -10.611 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.966 3.161 -11.780 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.795 4.571 -12.447 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.447 3.451 -13.768 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.508 1.727 -13.475 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.976 1.848 -14.347 1.00 0.00 H new ATOM 243 N SER A 14 -18.141 6.173 -10.458 1.00 0.00 N ATOM 244 CA SER A 14 -19.500 6.080 -10.977 1.00 0.00 C ATOM 245 C SER A 14 -19.693 7.027 -12.159 1.00 0.00 C ATOM 246 O SER A 14 -20.388 8.038 -12.053 1.00 0.00 O ATOM 247 CB SER A 14 -20.511 6.397 -9.873 1.00 0.00 C ATOM 248 OG SER A 14 -21.187 5.225 -9.448 1.00 0.00 O ATOM 0 H SER A 14 -17.663 7.045 -10.685 1.00 0.00 H new ATOM 0 HA SER A 14 -19.666 5.060 -11.324 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.998 6.852 -9.026 1.00 0.00 H new ATOM 0 HB3 SER A 14 -21.235 7.126 -10.237 1.00 0.00 H new ATOM 0 HG SER A 14 -20.540 4.499 -9.330 1.00 0.00 H new ATOM 254 N GLY A 15 -19.072 6.693 -13.286 1.00 0.00 N ATOM 255 CA GLY A 15 -19.186 7.522 -14.471 1.00 0.00 C ATOM 256 C GLY A 15 -18.338 7.013 -15.620 1.00 0.00 C ATOM 257 O GLY A 15 -18.790 6.190 -16.414 1.00 0.00 O ATOM 0 H GLY A 15 -18.491 5.862 -13.399 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.229 7.562 -14.784 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.887 8.542 -14.227 1.00 0.00 H new ATOM 261 N ASN A 16 -17.106 7.506 -15.707 1.00 0.00 N ATOM 262 CA ASN A 16 -16.194 7.094 -16.767 1.00 0.00 C ATOM 263 C ASN A 16 -14.757 7.477 -16.429 1.00 0.00 C ATOM 264 O ASN A 16 -14.495 8.098 -15.399 1.00 0.00 O ATOM 265 CB ASN A 16 -16.604 7.731 -18.096 1.00 0.00 C ATOM 266 CG ASN A 16 -16.436 6.784 -19.269 1.00 0.00 C ATOM 267 OD1 ASN A 16 -16.905 5.645 -19.234 1.00 0.00 O ATOM 268 ND2 ASN A 16 -15.766 7.249 -20.316 1.00 0.00 N ATOM 0 H ASN A 16 -16.718 8.190 -15.057 1.00 0.00 H new ATOM 0 HA ASN A 16 -16.249 6.009 -16.858 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.645 8.050 -18.037 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -16.005 8.626 -18.267 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.623 6.657 -21.134 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.395 8.199 -20.303 1.00 0.00 H new ATOM 275 N SER A 17 -13.829 7.101 -17.303 1.00 0.00 N ATOM 276 CA SER A 17 -12.418 7.405 -17.097 1.00 0.00 C ATOM 277 C SER A 17 -12.147 8.894 -17.289 1.00 0.00 C ATOM 278 O SER A 17 -11.480 9.525 -16.470 1.00 0.00 O ATOM 279 CB SER A 17 -11.553 6.590 -18.061 1.00 0.00 C ATOM 280 OG SER A 17 -10.245 6.413 -17.548 1.00 0.00 O ATOM 0 H SER A 17 -14.029 6.586 -18.160 1.00 0.00 H new ATOM 0 HA SER A 17 -12.161 7.137 -16.072 1.00 0.00 H new ATOM 0 HB2 SER A 17 -12.014 5.617 -18.234 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.503 7.095 -19.026 1.00 0.00 H new ATOM 0 HG SER A 17 -9.713 5.888 -18.182 1.00 0.00 H new ATOM 286 N LEU A 18 -12.672 9.451 -18.377 1.00 0.00 N ATOM 287 CA LEU A 18 -12.488 10.865 -18.677 1.00 0.00 C ATOM 288 C LEU A 18 -13.153 11.736 -17.617 1.00 0.00 C ATOM 289 O LEU A 18 -12.667 12.821 -17.296 1.00 0.00 O ATOM 290 CB LEU A 18 -13.057 11.193 -20.059 1.00 0.00 C ATOM 291 CG LEU A 18 -12.039 11.177 -21.200 1.00 0.00 C ATOM 292 CD1 LEU A 18 -11.360 9.819 -21.291 1.00 0.00 C ATOM 293 CD2 LEU A 18 -12.711 11.527 -22.518 1.00 0.00 C ATOM 0 H LEU A 18 -13.228 8.943 -19.065 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.419 11.076 -18.675 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.848 10.479 -20.288 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -13.520 12.179 -20.020 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.277 11.928 -20.992 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.639 9.827 -22.109 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.844 9.607 -20.354 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.109 9.049 -21.475 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.972 11.511 -23.319 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.494 10.799 -22.732 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -13.150 12.522 -22.450 1.00 0.00 H new ATOM 305 N ASN A 19 -14.268 11.254 -17.076 1.00 0.00 N ATOM 306 CA ASN A 19 -15.001 11.989 -16.053 1.00 0.00 C ATOM 307 C ASN A 19 -15.252 11.111 -14.831 1.00 0.00 C ATOM 308 O ASN A 19 -16.325 10.522 -14.687 1.00 0.00 O ATOM 309 CB ASN A 19 -16.331 12.496 -16.613 1.00 0.00 C ATOM 310 CG ASN A 19 -16.834 13.724 -15.882 1.00 0.00 C ATOM 311 OD1 ASN A 19 -16.090 14.371 -15.144 1.00 0.00 O ATOM 312 ND2 ASN A 19 -18.105 14.055 -16.083 1.00 0.00 N ATOM 0 H ASN A 19 -14.683 10.357 -17.330 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.395 12.843 -15.748 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -16.211 12.730 -17.671 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -17.077 11.704 -16.544 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.499 14.873 -15.618 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -18.687 13.491 -16.703 1.00 0.00 H new ATOM 319 N LYS A 20 -14.259 11.027 -13.953 1.00 0.00 N ATOM 320 CA LYS A 20 -14.371 10.222 -12.745 1.00 0.00 C ATOM 321 C LYS A 20 -15.374 10.832 -11.771 1.00 0.00 C ATOM 322 O LYS A 20 -15.638 12.033 -11.802 1.00 0.00 O ATOM 323 CB LYS A 20 -13.006 10.075 -12.074 1.00 0.00 C ATOM 324 CG LYS A 20 -12.456 8.659 -12.128 1.00 0.00 C ATOM 325 CD LYS A 20 -11.072 8.580 -11.511 1.00 0.00 C ATOM 326 CE LYS A 20 -10.087 7.877 -12.433 1.00 0.00 C ATOM 327 NZ LYS A 20 -8.844 7.477 -11.717 1.00 0.00 N ATOM 0 H LYS A 20 -13.366 11.508 -14.057 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.732 9.234 -13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.298 10.750 -12.555 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.086 10.386 -11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.130 7.984 -11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.414 8.322 -13.164 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.713 9.586 -11.292 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.126 8.047 -10.562 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.559 6.993 -12.862 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.832 8.537 -13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.199 7.001 -12.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.380 8.323 -11.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.084 6.827 -10.941 1.00 0.00 H new ATOM 341 N GLU A 21 -15.927 9.989 -10.907 1.00 0.00 N ATOM 342 CA GLU A 21 -16.900 10.422 -9.915 1.00 0.00 C ATOM 343 C GLU A 21 -17.114 9.322 -8.887 1.00 0.00 C ATOM 344 O GLU A 21 -17.839 8.359 -9.132 1.00 0.00 O ATOM 345 CB GLU A 21 -18.226 10.790 -10.585 1.00 0.00 C ATOM 346 CG GLU A 21 -18.895 12.013 -9.977 1.00 0.00 C ATOM 347 CD GLU A 21 -20.046 12.525 -10.822 1.00 0.00 C ATOM 348 OE1 GLU A 21 -21.047 11.795 -10.966 1.00 0.00 O ATOM 349 OE2 GLU A 21 -19.944 13.658 -11.338 1.00 0.00 O ATOM 0 H GLU A 21 -15.714 8.992 -10.875 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.515 11.309 -9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.050 10.972 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.907 9.941 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.262 11.765 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.156 12.805 -9.857 1.00 0.00 H new ATOM 356 N TRP A 22 -16.457 9.463 -7.747 1.00 0.00 N ATOM 357 CA TRP A 22 -16.548 8.476 -6.684 1.00 0.00 C ATOM 358 C TRP A 22 -17.611 8.855 -5.659 1.00 0.00 C ATOM 359 O TRP A 22 -17.711 10.011 -5.249 1.00 0.00 O ATOM 360 CB TRP A 22 -15.190 8.323 -5.996 1.00 0.00 C ATOM 361 CG TRP A 22 -14.043 8.214 -6.957 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.679 9.120 -7.913 1.00 0.00 C ATOM 363 CD2 TRP A 22 -13.105 7.135 -7.053 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.577 8.671 -8.596 1.00 0.00 N ATOM 365 CE2 TRP A 22 -12.206 7.454 -8.088 1.00 0.00 C ATOM 366 CE3 TRP A 22 -12.936 5.927 -6.365 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -11.160 6.614 -8.448 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.894 5.095 -6.728 1.00 0.00 C ATOM 369 CH2 TRP A 22 -11.024 5.444 -7.757 1.00 0.00 C ATOM 0 H TRP A 22 -15.852 10.256 -7.534 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.838 7.526 -7.132 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -15.025 9.178 -5.341 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -15.210 7.436 -5.363 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -14.186 10.055 -8.103 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -12.110 9.163 -9.358 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.608 5.651 -5.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.480 6.876 -9.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.753 4.160 -6.206 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.220 4.771 -8.016 1.00 0.00 H new ATOM 380 N LYS A 23 -18.399 7.866 -5.246 1.00 0.00 N ATOM 381 CA LYS A 23 -19.453 8.087 -4.264 1.00 0.00 C ATOM 382 C LYS A 23 -19.089 7.433 -2.934 1.00 0.00 C ATOM 383 O LYS A 23 -18.253 6.531 -2.884 1.00 0.00 O ATOM 384 CB LYS A 23 -20.784 7.531 -4.778 1.00 0.00 C ATOM 385 CG LYS A 23 -21.780 8.608 -5.175 1.00 0.00 C ATOM 386 CD LYS A 23 -21.428 9.227 -6.518 1.00 0.00 C ATOM 387 CE LYS A 23 -21.875 10.679 -6.596 1.00 0.00 C ATOM 388 NZ LYS A 23 -20.749 11.620 -6.347 1.00 0.00 N ATOM 0 H LYS A 23 -18.326 6.904 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.558 9.160 -4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.592 6.890 -5.638 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -21.229 6.903 -4.006 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -22.781 8.179 -5.222 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.802 9.384 -4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.351 9.168 -6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.900 8.656 -7.318 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.301 10.875 -7.580 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.664 10.856 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.065 12.595 -6.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.435 11.533 -5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.958 11.391 -6.983 1.00 0.00 H new ATOM 402 N LYS A 24 -19.717 7.894 -1.858 1.00 0.00 N ATOM 403 CA LYS A 24 -19.451 7.354 -0.532 1.00 0.00 C ATOM 404 C LYS A 24 -20.003 5.938 -0.394 1.00 0.00 C ATOM 405 O LYS A 24 -21.205 5.710 -0.533 1.00 0.00 O ATOM 406 CB LYS A 24 -20.056 8.259 0.542 1.00 0.00 C ATOM 407 CG LYS A 24 -19.055 9.225 1.156 1.00 0.00 C ATOM 408 CD LYS A 24 -17.991 8.493 1.956 1.00 0.00 C ATOM 409 CE LYS A 24 -17.021 9.464 2.613 1.00 0.00 C ATOM 410 NZ LYS A 24 -15.630 8.935 2.624 1.00 0.00 N ATOM 0 H LYS A 24 -20.413 8.640 -1.879 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.370 7.314 -0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -20.877 8.828 0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.481 7.639 1.331 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -18.581 9.809 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -19.578 9.929 1.803 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -18.467 7.879 2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.442 7.817 1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.044 10.415 2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.342 9.662 3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -15.080 9.420 3.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.648 7.914 2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.188 9.101 1.697 1.00 0.00 H new ATOM 424 N LYS A 25 -19.114 4.991 -0.112 1.00 0.00 N ATOM 425 CA LYS A 25 -19.504 3.595 0.055 1.00 0.00 C ATOM 426 C LYS A 25 -19.083 3.087 1.428 1.00 0.00 C ATOM 427 O LYS A 25 -18.578 3.847 2.254 1.00 0.00 O ATOM 428 CB LYS A 25 -18.874 2.729 -1.040 1.00 0.00 C ATOM 429 CG LYS A 25 -19.326 3.093 -2.444 1.00 0.00 C ATOM 430 CD LYS A 25 -20.842 3.092 -2.563 1.00 0.00 C ATOM 431 CE LYS A 25 -21.287 2.860 -3.998 1.00 0.00 C ATOM 432 NZ LYS A 25 -22.704 3.264 -4.213 1.00 0.00 N ATOM 0 H LYS A 25 -18.116 5.165 0.006 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.589 3.529 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.789 2.819 -0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.118 1.684 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -18.941 4.078 -2.707 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.904 2.385 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -21.258 2.315 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -21.237 4.044 -2.208 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -20.643 3.423 -4.673 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.168 1.806 -4.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -22.834 3.562 -5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -23.329 2.458 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -22.940 4.054 -3.579 1.00 0.00 H new ATOM 446 N TYR A 26 -19.290 1.798 1.665 1.00 0.00 N ATOM 447 CA TYR A 26 -18.931 1.185 2.937 1.00 0.00 C ATOM 448 C TYR A 26 -18.363 -0.210 2.708 1.00 0.00 C ATOM 449 O TYR A 26 -19.065 -1.101 2.243 1.00 0.00 O ATOM 450 CB TYR A 26 -20.161 1.117 3.846 1.00 0.00 C ATOM 451 CG TYR A 26 -19.893 0.513 5.205 1.00 0.00 C ATOM 452 CD1 TYR A 26 -19.936 -0.863 5.398 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.606 1.320 6.297 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.702 -1.415 6.643 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.368 0.774 7.545 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.417 -0.593 7.711 1.00 0.00 C ATOM 457 OH TYR A 26 -19.182 -1.140 8.952 1.00 0.00 O ATOM 0 H TYR A 26 -19.706 1.155 0.991 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.167 1.793 3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.556 2.124 3.980 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.936 0.534 3.348 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -20.156 -1.511 4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.568 2.392 6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.742 -2.486 6.778 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.145 1.415 8.385 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.010 -1.535 9.298 1.00 0.00 H new ATOM 467 N VAL A 27 -17.088 -0.394 3.027 1.00 0.00 N ATOM 468 CA VAL A 27 -16.439 -1.688 2.835 1.00 0.00 C ATOM 469 C VAL A 27 -16.006 -2.295 4.153 1.00 0.00 C ATOM 470 O VAL A 27 -15.629 -1.585 5.086 1.00 0.00 O ATOM 471 CB VAL A 27 -15.189 -1.587 1.933 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.914 -2.922 1.262 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.351 -0.489 0.892 1.00 0.00 C ATOM 0 H VAL A 27 -16.485 0.330 3.417 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.186 -2.320 2.355 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.337 -1.329 2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -14.030 -2.836 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.743 -3.683 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.771 -3.206 0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.456 -0.441 0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.216 -0.707 0.265 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.497 0.468 1.393 1.00 0.00 H new ATOM 483 N THR A 28 -16.027 -3.620 4.215 1.00 0.00 N ATOM 484 CA THR A 28 -15.595 -4.321 5.409 1.00 0.00 C ATOM 485 C THR A 28 -14.767 -5.548 5.054 1.00 0.00 C ATOM 486 O THR A 28 -15.283 -6.540 4.534 1.00 0.00 O ATOM 487 CB THR A 28 -16.774 -4.743 6.284 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.533 -3.617 6.687 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.334 -5.481 7.536 1.00 0.00 C ATOM 0 H THR A 28 -16.337 -4.225 3.455 1.00 0.00 H new ATOM 0 HA THR A 28 -14.980 -3.621 5.975 1.00 0.00 H new ATOM 0 HB THR A 28 -17.376 -5.413 5.670 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.176 -3.387 5.984 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.210 -5.758 8.122 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.786 -6.380 7.255 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.689 -4.835 8.131 1.00 0.00 H new ATOM 497 N LEU A 29 -13.487 -5.475 5.377 1.00 0.00 N ATOM 498 CA LEU A 29 -12.570 -6.569 5.152 1.00 0.00 C ATOM 499 C LEU A 29 -12.558 -7.436 6.394 1.00 0.00 C ATOM 500 O LEU A 29 -12.159 -6.980 7.466 1.00 0.00 O ATOM 501 CB LEU A 29 -11.166 -6.044 4.865 1.00 0.00 C ATOM 502 CG LEU A 29 -10.499 -6.654 3.638 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.373 -8.159 3.799 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.281 -6.313 2.381 1.00 0.00 C ATOM 0 H LEU A 29 -13.058 -4.653 5.803 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.892 -7.149 4.287 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.216 -4.963 4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.537 -6.232 5.735 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.498 -6.233 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.895 -8.581 2.915 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.769 -8.382 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.364 -8.596 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.790 -6.757 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.294 -6.706 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.321 -5.230 2.260 1.00 0.00 H new ATOM 516 N SER A 30 -13.023 -8.666 6.261 1.00 0.00 N ATOM 517 CA SER A 30 -13.086 -9.578 7.396 1.00 0.00 C ATOM 518 C SER A 30 -11.962 -10.598 7.350 1.00 0.00 C ATOM 519 O SER A 30 -11.343 -10.813 6.308 1.00 0.00 O ATOM 520 CB SER A 30 -14.437 -10.293 7.427 1.00 0.00 C ATOM 521 OG SER A 30 -14.402 -11.414 8.293 1.00 0.00 O ATOM 0 H SER A 30 -13.362 -9.058 5.382 1.00 0.00 H new ATOM 0 HA SER A 30 -12.971 -8.987 8.304 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.211 -9.600 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.704 -10.615 6.421 1.00 0.00 H new ATOM 0 HG SER A 30 -15.278 -11.852 8.296 1.00 0.00 H new ATOM 527 N SER A 31 -11.710 -11.230 8.490 1.00 0.00 N ATOM 528 CA SER A 31 -10.664 -12.239 8.585 1.00 0.00 C ATOM 529 C SER A 31 -11.116 -13.565 7.966 1.00 0.00 C ATOM 530 O SER A 31 -10.382 -14.553 7.995 1.00 0.00 O ATOM 531 CB SER A 31 -10.267 -12.456 10.046 1.00 0.00 C ATOM 532 OG SER A 31 -11.310 -13.087 10.771 1.00 0.00 O ATOM 0 H SER A 31 -12.215 -11.061 9.360 1.00 0.00 H new ATOM 0 HA SER A 31 -9.800 -11.878 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.366 -13.067 10.094 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.028 -11.498 10.507 1.00 0.00 H new ATOM 0 HG SER A 31 -10.945 -13.486 11.589 1.00 0.00 H new ATOM 538 N ASN A 32 -12.328 -13.584 7.407 1.00 0.00 N ATOM 539 CA ASN A 32 -12.873 -14.787 6.785 1.00 0.00 C ATOM 540 C ASN A 32 -12.570 -14.823 5.295 1.00 0.00 C ATOM 541 O ASN A 32 -13.300 -15.439 4.519 1.00 0.00 O ATOM 542 CB ASN A 32 -14.383 -14.869 7.015 1.00 0.00 C ATOM 543 CG ASN A 32 -14.735 -15.653 8.264 1.00 0.00 C ATOM 544 OD1 ASN A 32 -13.956 -16.482 8.733 1.00 0.00 O ATOM 545 ND2 ASN A 32 -15.920 -15.396 8.809 1.00 0.00 N ATOM 0 H ASN A 32 -12.950 -12.776 7.374 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.395 -15.649 7.250 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.791 -13.861 7.095 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.855 -15.337 6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.214 -15.895 9.649 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.535 -14.700 8.387 1.00 0.00 H new ATOM 552 N GLY A 33 -11.495 -14.154 4.897 1.00 0.00 N ATOM 553 CA GLY A 33 -11.125 -14.120 3.498 1.00 0.00 C ATOM 554 C GLY A 33 -12.265 -13.640 2.631 1.00 0.00 C ATOM 555 O GLY A 33 -12.529 -14.202 1.568 1.00 0.00 O ATOM 0 H GLY A 33 -10.874 -13.635 5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.265 -13.464 3.365 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.819 -15.116 3.178 1.00 0.00 H new ATOM 559 N PHE A 34 -12.953 -12.604 3.094 1.00 0.00 N ATOM 560 CA PHE A 34 -14.081 -12.056 2.359 1.00 0.00 C ATOM 561 C PHE A 34 -14.084 -10.535 2.389 1.00 0.00 C ATOM 562 O PHE A 34 -13.929 -9.920 3.444 1.00 0.00 O ATOM 563 CB PHE A 34 -15.391 -12.590 2.937 1.00 0.00 C ATOM 564 CG PHE A 34 -16.245 -13.283 1.919 1.00 0.00 C ATOM 565 CD1 PHE A 34 -16.512 -12.681 0.702 1.00 0.00 C ATOM 566 CD2 PHE A 34 -16.771 -14.535 2.178 1.00 0.00 C ATOM 567 CE1 PHE A 34 -17.294 -13.320 -0.243 1.00 0.00 C ATOM 568 CE2 PHE A 34 -17.553 -15.179 1.239 1.00 0.00 C ATOM 569 CZ PHE A 34 -17.815 -14.570 0.027 1.00 0.00 C ATOM 0 H PHE A 34 -12.749 -12.129 3.973 1.00 0.00 H new ATOM 0 HA PHE A 34 -13.985 -12.370 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.167 -13.284 3.747 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -15.953 -11.763 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.106 -11.703 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -16.568 -15.014 3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.497 -12.842 -1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -17.959 -16.157 1.452 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.427 -15.071 -0.709 1.00 0.00 H new ATOM 579 N LEU A 35 -14.277 -9.938 1.221 1.00 0.00 N ATOM 580 CA LEU A 35 -14.321 -8.490 1.097 1.00 0.00 C ATOM 581 C LEU A 35 -15.730 -8.048 0.715 1.00 0.00 C ATOM 582 O LEU A 35 -16.230 -8.407 -0.351 1.00 0.00 O ATOM 583 CB LEU A 35 -13.302 -8.029 0.047 1.00 0.00 C ATOM 584 CG LEU A 35 -13.589 -6.680 -0.615 1.00 0.00 C ATOM 585 CD1 LEU A 35 -13.903 -5.618 0.431 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.413 -6.252 -1.481 1.00 0.00 C ATOM 0 H LEU A 35 -14.406 -10.439 0.342 1.00 0.00 H new ATOM 0 HA LEU A 35 -14.063 -8.034 2.053 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.321 -7.979 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.243 -8.789 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.465 -6.792 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.104 -4.668 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.779 -5.920 1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.051 -5.505 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.634 -5.290 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.520 -6.160 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.242 -6.998 -2.257 1.00 0.00 H new ATOM 598 N LEU A 36 -16.379 -7.283 1.589 1.00 0.00 N ATOM 599 CA LEU A 36 -17.739 -6.826 1.322 1.00 0.00 C ATOM 600 C LEU A 36 -17.809 -5.309 1.202 1.00 0.00 C ATOM 601 O LEU A 36 -17.065 -4.587 1.864 1.00 0.00 O ATOM 602 CB LEU A 36 -18.690 -7.302 2.424 1.00 0.00 C ATOM 603 CG LEU A 36 -18.355 -8.669 3.026 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.779 -8.511 4.424 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.591 -9.559 3.056 1.00 0.00 C ATOM 0 H LEU A 36 -15.990 -6.970 2.478 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.046 -7.256 0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.694 -6.561 3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.701 -7.339 2.019 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.604 -9.145 2.396 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.547 -9.493 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.869 -7.913 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.508 -8.013 5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.333 -10.526 3.487 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.365 -9.087 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -19.961 -9.702 2.041 1.00 0.00 H new ATOM 617 N TYR A 37 -18.723 -4.831 0.359 1.00 0.00 N ATOM 618 CA TYR A 37 -18.901 -3.399 0.163 1.00 0.00 C ATOM 619 C TYR A 37 -20.356 -3.076 -0.181 1.00 0.00 C ATOM 620 O TYR A 37 -20.955 -3.691 -1.068 1.00 0.00 O ATOM 621 CB TYR A 37 -17.934 -2.876 -0.912 1.00 0.00 C ATOM 622 CG TYR A 37 -18.512 -2.762 -2.308 1.00 0.00 C ATOM 623 CD1 TYR A 37 -18.705 -3.886 -3.100 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.848 -1.521 -2.839 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.217 -3.780 -4.379 1.00 0.00 C ATOM 626 CE2 TYR A 37 -19.360 -1.407 -4.118 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.542 -2.539 -4.883 1.00 0.00 C ATOM 628 OH TYR A 37 -20.053 -2.429 -6.157 1.00 0.00 O ATOM 0 H TYR A 37 -19.348 -5.415 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.664 -2.888 1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.574 -1.894 -0.605 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -17.068 -3.536 -0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.450 -4.860 -2.709 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.707 -0.632 -2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.362 -4.665 -4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.616 -0.436 -4.516 1.00 0.00 H new ATOM 0 HH TYR A 37 -20.230 -1.486 -6.358 1.00 0.00 H new ATOM 638 N HIS A 38 -20.917 -2.116 0.548 1.00 0.00 N ATOM 639 CA HIS A 38 -22.299 -1.700 0.356 1.00 0.00 C ATOM 640 C HIS A 38 -22.371 -0.236 -0.073 1.00 0.00 C ATOM 641 O HIS A 38 -21.413 0.517 0.101 1.00 0.00 O ATOM 642 CB HIS A 38 -23.098 -1.886 1.651 1.00 0.00 C ATOM 643 CG HIS A 38 -22.828 -3.176 2.371 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.559 -3.618 2.691 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.681 -4.119 2.843 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.644 -4.774 3.324 1.00 0.00 C ATOM 647 NE2 HIS A 38 -22.918 -5.099 3.429 1.00 0.00 N ATOM 0 H HIS A 38 -20.428 -1.608 1.285 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.729 -2.322 -0.429 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -22.875 -1.057 2.322 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.161 -1.831 1.418 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.758 -4.102 2.771 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -20.812 -5.355 3.693 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -23.279 -5.943 3.874 1.00 0.00 H new ATOM 656 N PRO A 39 -23.514 0.187 -0.640 1.00 0.00 N ATOM 657 CA PRO A 39 -23.710 1.569 -1.091 1.00 0.00 C ATOM 658 C PRO A 39 -23.332 2.594 -0.023 1.00 0.00 C ATOM 659 O PRO A 39 -22.781 3.650 -0.334 1.00 0.00 O ATOM 660 CB PRO A 39 -25.209 1.635 -1.386 1.00 0.00 C ATOM 661 CG PRO A 39 -25.589 0.235 -1.722 1.00 0.00 C ATOM 662 CD PRO A 39 -24.706 -0.648 -0.884 1.00 0.00 C ATOM 0 HA PRO A 39 -23.079 1.809 -1.947 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.767 2.001 -0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -25.421 2.312 -2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.641 0.054 -1.504 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -25.445 0.036 -2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -25.193 -0.934 0.048 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.450 -1.570 -1.406 1.00 0.00 H new ATOM 670 N SER A 40 -23.634 2.280 1.235 1.00 0.00 N ATOM 671 CA SER A 40 -23.327 3.182 2.341 1.00 0.00 C ATOM 672 C SER A 40 -23.433 2.465 3.684 1.00 0.00 C ATOM 673 O SER A 40 -23.539 1.239 3.738 1.00 0.00 O ATOM 674 CB SER A 40 -24.268 4.389 2.317 1.00 0.00 C ATOM 675 OG SER A 40 -23.555 5.597 2.514 1.00 0.00 O ATOM 0 H SER A 40 -24.089 1.411 1.513 1.00 0.00 H new ATOM 0 HA SER A 40 -22.300 3.526 2.218 1.00 0.00 H new ATOM 0 HB2 SER A 40 -24.794 4.425 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 40 -25.025 4.279 3.094 1.00 0.00 H new ATOM 0 HG SER A 40 -24.179 6.352 2.493 1.00 0.00 H new ATOM 681 N ILE A 41 -23.401 3.237 4.768 1.00 0.00 N ATOM 682 CA ILE A 41 -23.491 2.678 6.113 1.00 0.00 C ATOM 683 C ILE A 41 -24.875 2.084 6.364 1.00 0.00 C ATOM 684 O ILE A 41 -24.995 0.979 6.892 1.00 0.00 O ATOM 685 CB ILE A 41 -23.172 3.741 7.187 1.00 0.00 C ATOM 686 CG1 ILE A 41 -21.697 4.131 7.109 1.00 0.00 C ATOM 687 CG2 ILE A 41 -23.515 3.228 8.579 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.380 5.077 5.971 1.00 0.00 C ATOM 0 H ILE A 41 -23.313 4.253 4.740 1.00 0.00 H new ATOM 0 HA ILE A 41 -22.748 1.884 6.185 1.00 0.00 H new ATOM 0 HB ILE A 41 -23.783 4.623 6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -21.403 4.596 8.050 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.096 3.228 6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -23.281 3.995 9.317 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -24.578 2.990 8.627 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -22.932 2.331 8.790 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.315 5.310 5.978 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -21.643 4.607 5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -21.953 5.996 6.091 1.00 0.00 H new ATOM 700 N ASN A 42 -25.917 2.812 5.967 1.00 0.00 N ATOM 701 CA ASN A 42 -27.286 2.331 6.139 1.00 0.00 C ATOM 702 C ASN A 42 -27.422 0.926 5.554 1.00 0.00 C ATOM 703 O ASN A 42 -28.264 0.135 5.975 1.00 0.00 O ATOM 704 CB ASN A 42 -28.272 3.280 5.454 1.00 0.00 C ATOM 705 CG ASN A 42 -28.009 3.416 3.966 1.00 0.00 C ATOM 706 OD1 ASN A 42 -27.322 4.339 3.529 1.00 0.00 O ATOM 707 ND2 ASN A 42 -28.556 2.496 3.182 1.00 0.00 N ATOM 0 H ASN A 42 -25.841 3.729 5.528 1.00 0.00 H new ATOM 0 HA ASN A 42 -27.515 2.298 7.204 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -29.288 2.917 5.608 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -28.210 4.263 5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -28.414 2.536 2.173 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -29.118 1.748 3.589 1.00 0.00 H new ATOM 714 N ASP A 43 -26.576 0.619 4.581 1.00 0.00 N ATOM 715 CA ASP A 43 -26.588 -0.687 3.945 1.00 0.00 C ATOM 716 C ASP A 43 -25.927 -1.733 4.840 1.00 0.00 C ATOM 717 O ASP A 43 -26.406 -2.860 4.946 1.00 0.00 O ATOM 718 CB ASP A 43 -25.875 -0.618 2.597 1.00 0.00 C ATOM 719 CG ASP A 43 -26.519 0.383 1.657 1.00 0.00 C ATOM 720 OD1 ASP A 43 -26.357 1.600 1.885 1.00 0.00 O ATOM 721 OD2 ASP A 43 -27.186 -0.050 0.693 1.00 0.00 O ATOM 0 H ASP A 43 -25.872 1.260 4.215 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.625 -0.983 3.784 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -24.831 -0.346 2.754 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.882 -1.605 2.134 1.00 0.00 H new ATOM 726 N TYR A 44 -24.831 -1.349 5.487 1.00 0.00 N ATOM 727 CA TYR A 44 -24.113 -2.252 6.380 1.00 0.00 C ATOM 728 C TYR A 44 -24.928 -2.497 7.646 1.00 0.00 C ATOM 729 O TYR A 44 -25.160 -3.637 8.045 1.00 0.00 O ATOM 730 CB TYR A 44 -22.735 -1.665 6.726 1.00 0.00 C ATOM 731 CG TYR A 44 -22.312 -1.858 8.169 1.00 0.00 C ATOM 732 CD1 TYR A 44 -21.774 -3.065 8.600 1.00 0.00 C ATOM 733 CD2 TYR A 44 -22.452 -0.834 9.098 1.00 0.00 C ATOM 734 CE1 TYR A 44 -21.388 -3.245 9.915 1.00 0.00 C ATOM 735 CE2 TYR A 44 -22.067 -1.006 10.413 1.00 0.00 C ATOM 736 CZ TYR A 44 -21.536 -2.212 10.818 1.00 0.00 C ATOM 737 OH TYR A 44 -21.151 -2.386 12.126 1.00 0.00 O ATOM 0 H TYR A 44 -24.421 -0.418 5.410 1.00 0.00 H new ATOM 0 HA TYR A 44 -23.965 -3.207 5.876 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -21.987 -2.121 6.078 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -22.742 -0.598 6.503 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -21.656 -3.875 7.896 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -22.869 0.112 8.786 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -20.973 -4.189 10.234 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.181 -0.199 11.121 1.00 0.00 H new ATOM 0 HH TYR A 44 -21.321 -1.563 12.629 1.00 0.00 H new ATOM 747 N ILE A 45 -25.361 -1.406 8.264 1.00 0.00 N ATOM 748 CA ILE A 45 -26.157 -1.463 9.483 1.00 0.00 C ATOM 749 C ILE A 45 -27.436 -2.264 9.266 1.00 0.00 C ATOM 750 O ILE A 45 -27.673 -3.285 9.911 1.00 0.00 O ATOM 751 CB ILE A 45 -26.528 -0.031 9.944 1.00 0.00 C ATOM 752 CG1 ILE A 45 -25.355 0.606 10.688 1.00 0.00 C ATOM 753 CG2 ILE A 45 -27.788 -0.019 10.809 1.00 0.00 C ATOM 754 CD1 ILE A 45 -25.506 2.099 10.885 1.00 0.00 C ATOM 0 H ILE A 45 -25.171 -0.459 7.936 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.559 -1.956 10.249 1.00 0.00 H new ATOM 0 HB ILE A 45 -26.744 0.558 9.053 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.249 0.128 11.662 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -24.436 0.411 10.136 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.013 1.004 11.111 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.625 -0.421 10.238 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -27.626 -0.632 11.696 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -24.638 2.485 11.420 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -25.581 2.588 9.914 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.408 2.300 11.464 1.00 0.00 H new ATOM 766 N HIS A 46 -28.257 -1.759 8.366 1.00 0.00 N ATOM 767 CA HIS A 46 -29.540 -2.363 8.040 1.00 0.00 C ATOM 768 C HIS A 46 -29.382 -3.641 7.217 1.00 0.00 C ATOM 769 O HIS A 46 -30.255 -4.509 7.235 1.00 0.00 O ATOM 770 CB HIS A 46 -30.398 -1.324 7.319 1.00 0.00 C ATOM 771 CG HIS A 46 -30.401 -0.003 8.034 1.00 0.00 C ATOM 772 ND1 HIS A 46 -31.490 0.486 8.721 1.00 0.00 N ATOM 773 CD2 HIS A 46 -29.413 0.911 8.210 1.00 0.00 C ATOM 774 CE1 HIS A 46 -31.165 1.639 9.285 1.00 0.00 C ATOM 775 NE2 HIS A 46 -29.916 1.914 8.988 1.00 0.00 N ATOM 0 H HIS A 46 -28.054 -0.912 7.835 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.037 -2.666 8.962 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.024 -1.186 6.304 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.420 -1.693 7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -28.412 0.855 7.808 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -31.818 2.251 9.889 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -29.404 2.743 9.290 1.00 0.00 H new ATOM 784 N SER A 47 -28.264 -3.757 6.505 1.00 0.00 N ATOM 785 CA SER A 47 -27.991 -4.939 5.685 1.00 0.00 C ATOM 786 C SER A 47 -28.810 -4.930 4.398 1.00 0.00 C ATOM 787 O SER A 47 -29.702 -5.757 4.209 1.00 0.00 O ATOM 788 CB SER A 47 -28.273 -6.221 6.475 1.00 0.00 C ATOM 789 OG SER A 47 -27.335 -7.234 6.158 1.00 0.00 O ATOM 0 H SER A 47 -27.531 -3.048 6.478 1.00 0.00 H new ATOM 0 HA SER A 47 -26.935 -4.911 5.415 1.00 0.00 H new ATOM 0 HB2 SER A 47 -28.236 -6.009 7.543 1.00 0.00 H new ATOM 0 HB3 SER A 47 -29.281 -6.573 6.255 1.00 0.00 H new ATOM 0 HG SER A 47 -27.537 -8.040 6.677 1.00 0.00 H new ATOM 795 N THR A 48 -28.488 -3.996 3.509 1.00 0.00 N ATOM 796 CA THR A 48 -29.175 -3.883 2.230 1.00 0.00 C ATOM 797 C THR A 48 -28.185 -3.519 1.134 1.00 0.00 C ATOM 798 O THR A 48 -27.566 -2.458 1.172 1.00 0.00 O ATOM 799 CB THR A 48 -30.286 -2.839 2.300 1.00 0.00 C ATOM 800 OG1 THR A 48 -29.748 -1.539 2.468 1.00 0.00 O ATOM 801 CG2 THR A 48 -31.261 -3.083 3.429 1.00 0.00 C ATOM 0 H THR A 48 -27.752 -3.304 3.653 1.00 0.00 H new ATOM 0 HA THR A 48 -29.625 -4.848 1.998 1.00 0.00 H new ATOM 0 HB THR A 48 -30.820 -2.922 1.354 1.00 0.00 H new ATOM 0 HG1 THR A 48 -28.824 -1.523 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 48 -32.026 -2.306 3.424 1.00 0.00 H new ATOM 0 HG22 THR A 48 -31.732 -4.057 3.299 1.00 0.00 H new ATOM 0 HG23 THR A 48 -30.729 -3.062 4.380 1.00 0.00 H new ATOM 809 N HIS A 49 -28.024 -4.414 0.171 1.00 0.00 N ATOM 810 CA HIS A 49 -27.087 -4.194 -0.923 1.00 0.00 C ATOM 811 C HIS A 49 -25.657 -4.235 -0.393 1.00 0.00 C ATOM 812 O HIS A 49 -25.094 -3.211 -0.013 1.00 0.00 O ATOM 813 CB HIS A 49 -27.362 -2.851 -1.609 1.00 0.00 C ATOM 814 CG HIS A 49 -27.841 -2.989 -3.021 1.00 0.00 C ATOM 815 ND1 HIS A 49 -29.175 -2.969 -3.367 1.00 0.00 N ATOM 816 CD2 HIS A 49 -27.155 -3.145 -4.178 1.00 0.00 C ATOM 817 CE1 HIS A 49 -29.290 -3.110 -4.677 1.00 0.00 C ATOM 818 NE2 HIS A 49 -28.079 -3.218 -5.191 1.00 0.00 N ATOM 0 H HIS A 49 -28.529 -5.299 0.124 1.00 0.00 H new ATOM 0 HA HIS A 49 -27.217 -4.986 -1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -28.108 -2.303 -1.033 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.450 -2.254 -1.600 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -26.082 -3.201 -4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -30.217 -3.133 -5.231 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -27.864 -3.337 -6.181 1.00 0.00 H new ATOM 827 N GLY A 50 -25.082 -5.433 -0.366 1.00 0.00 N ATOM 828 CA GLY A 50 -23.731 -5.605 0.123 1.00 0.00 C ATOM 829 C GLY A 50 -22.986 -6.663 -0.656 1.00 0.00 C ATOM 830 O GLY A 50 -23.038 -7.847 -0.323 1.00 0.00 O ATOM 0 H GLY A 50 -25.534 -6.293 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.196 -4.658 0.054 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -23.758 -5.880 1.177 1.00 0.00 H new ATOM 834 N LYS A 51 -22.302 -6.232 -1.703 1.00 0.00 N ATOM 835 CA LYS A 51 -21.550 -7.147 -2.553 1.00 0.00 C ATOM 836 C LYS A 51 -20.349 -7.725 -1.814 1.00 0.00 C ATOM 837 O LYS A 51 -19.720 -7.047 -1.002 1.00 0.00 O ATOM 838 CB LYS A 51 -21.083 -6.427 -3.821 1.00 0.00 C ATOM 839 CG LYS A 51 -20.964 -7.338 -5.030 1.00 0.00 C ATOM 840 CD LYS A 51 -22.307 -7.947 -5.404 1.00 0.00 C ATOM 841 CE LYS A 51 -22.466 -8.060 -6.911 1.00 0.00 C ATOM 842 NZ LYS A 51 -23.893 -7.981 -7.328 1.00 0.00 N ATOM 0 H LYS A 51 -22.251 -5.254 -1.987 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.211 -7.969 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.782 -5.623 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -20.115 -5.963 -3.630 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.572 -6.773 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.249 -8.133 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.398 -8.935 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -23.112 -7.335 -4.997 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.902 -7.263 -7.396 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -22.041 -9.004 -7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.957 -8.062 -8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.427 -8.756 -6.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -24.293 -7.069 -7.027 1.00 0.00 H new ATOM 856 N GLU A 52 -20.038 -8.986 -2.106 1.00 0.00 N ATOM 857 CA GLU A 52 -18.912 -9.669 -1.478 1.00 0.00 C ATOM 858 C GLU A 52 -18.027 -10.317 -2.532 1.00 0.00 C ATOM 859 O GLU A 52 -18.515 -10.906 -3.496 1.00 0.00 O ATOM 860 CB GLU A 52 -19.410 -10.726 -0.491 1.00 0.00 C ATOM 861 CG GLU A 52 -20.183 -11.859 -1.147 1.00 0.00 C ATOM 862 CD GLU A 52 -21.604 -11.976 -0.630 1.00 0.00 C ATOM 863 OE1 GLU A 52 -21.781 -12.047 0.605 1.00 0.00 O ATOM 864 OE2 GLU A 52 -22.538 -11.996 -1.459 1.00 0.00 O ATOM 0 H GLU A 52 -20.553 -9.557 -2.777 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.325 -8.930 -0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -18.556 -11.142 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -20.047 -10.245 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -20.205 -11.701 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.659 -12.799 -0.973 1.00 0.00 H new ATOM 871 N MET A 53 -16.723 -10.192 -2.343 1.00 0.00 N ATOM 872 CA MET A 53 -15.756 -10.752 -3.273 1.00 0.00 C ATOM 873 C MET A 53 -14.831 -11.733 -2.557 1.00 0.00 C ATOM 874 O MET A 53 -14.137 -11.367 -1.606 1.00 0.00 O ATOM 875 CB MET A 53 -14.957 -9.617 -3.925 1.00 0.00 C ATOM 876 CG MET A 53 -13.589 -10.030 -4.447 1.00 0.00 C ATOM 877 SD MET A 53 -13.142 -9.205 -5.984 1.00 0.00 S ATOM 878 CE MET A 53 -13.944 -7.626 -5.755 1.00 0.00 C ATOM 0 H MET A 53 -16.308 -9.705 -1.549 1.00 0.00 H new ATOM 0 HA MET A 53 -16.283 -11.303 -4.053 1.00 0.00 H new ATOM 0 HB2 MET A 53 -15.539 -9.207 -4.751 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.828 -8.816 -3.198 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.836 -9.809 -3.691 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.577 -11.109 -4.603 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.516 -6.897 -6.443 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.011 -7.728 -5.952 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.795 -7.288 -4.729 1.00 0.00 H new ATOM 888 N ASP A 54 -14.830 -12.982 -3.017 1.00 0.00 N ATOM 889 CA ASP A 54 -13.993 -14.018 -2.422 1.00 0.00 C ATOM 890 C ASP A 54 -12.523 -13.613 -2.456 1.00 0.00 C ATOM 891 O ASP A 54 -12.024 -13.141 -3.478 1.00 0.00 O ATOM 892 CB ASP A 54 -14.187 -15.347 -3.156 1.00 0.00 C ATOM 893 CG ASP A 54 -14.042 -15.204 -4.658 1.00 0.00 C ATOM 894 OD1 ASP A 54 -14.757 -14.367 -5.247 1.00 0.00 O ATOM 895 OD2 ASP A 54 -13.212 -15.929 -5.245 1.00 0.00 O ATOM 0 H ASP A 54 -15.400 -13.300 -3.801 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.294 -14.141 -1.382 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.458 -16.071 -2.791 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.175 -15.745 -2.925 1.00 0.00 H new ATOM 900 N LEU A 55 -11.838 -13.792 -1.334 1.00 0.00 N ATOM 901 CA LEU A 55 -10.428 -13.437 -1.239 1.00 0.00 C ATOM 902 C LEU A 55 -9.534 -14.658 -1.430 1.00 0.00 C ATOM 903 O LEU A 55 -8.413 -14.698 -0.927 1.00 0.00 O ATOM 904 CB LEU A 55 -10.136 -12.787 0.112 1.00 0.00 C ATOM 905 CG LEU A 55 -10.614 -11.342 0.255 1.00 0.00 C ATOM 906 CD1 LEU A 55 -10.607 -10.918 1.717 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.744 -10.413 -0.575 1.00 0.00 C ATOM 0 H LEU A 55 -12.235 -14.180 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.209 -12.727 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.602 -13.386 0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.060 -12.816 0.287 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.638 -11.278 -0.114 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.950 -9.887 1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.271 -11.568 2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.595 -10.996 2.114 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.097 -9.388 -0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.711 -10.481 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.800 -10.703 -1.624 1.00 0.00 H new ATOM 919 N LEU A 56 -10.032 -15.651 -2.158 1.00 0.00 N ATOM 920 CA LEU A 56 -9.265 -16.866 -2.408 1.00 0.00 C ATOM 921 C LEU A 56 -8.303 -16.674 -3.576 1.00 0.00 C ATOM 922 O LEU A 56 -7.130 -17.036 -3.492 1.00 0.00 O ATOM 923 CB LEU A 56 -10.206 -18.040 -2.687 1.00 0.00 C ATOM 924 CG LEU A 56 -9.815 -19.355 -2.010 1.00 0.00 C ATOM 925 CD1 LEU A 56 -11.012 -20.290 -1.933 1.00 0.00 C ATOM 926 CD2 LEU A 56 -8.665 -20.016 -2.753 1.00 0.00 C ATOM 0 H LEU A 56 -10.959 -15.639 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.679 -17.086 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.210 -17.766 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -10.251 -18.202 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 56 -9.485 -19.136 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -10.716 -21.221 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.807 -19.817 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.372 -20.503 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.400 -20.950 -2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.966 -20.223 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.802 -19.350 -2.755 1.00 0.00 H new ATOM 938 N ARG A 57 -8.810 -16.104 -4.664 1.00 0.00 N ATOM 939 CA ARG A 57 -7.996 -15.864 -5.849 1.00 0.00 C ATOM 940 C ARG A 57 -8.240 -14.461 -6.399 1.00 0.00 C ATOM 941 O ARG A 57 -8.617 -14.293 -7.559 1.00 0.00 O ATOM 942 CB ARG A 57 -8.303 -16.911 -6.922 1.00 0.00 C ATOM 943 CG ARG A 57 -7.627 -18.249 -6.675 1.00 0.00 C ATOM 944 CD ARG A 57 -8.525 -19.411 -7.070 1.00 0.00 C ATOM 945 NE ARG A 57 -7.758 -20.550 -7.567 1.00 0.00 N ATOM 946 CZ ARG A 57 -7.041 -20.528 -8.689 1.00 0.00 C ATOM 947 NH1 ARG A 57 -6.994 -19.429 -9.433 1.00 0.00 N ATOM 948 NH2 ARG A 57 -6.370 -21.607 -9.067 1.00 0.00 N ATOM 0 H ARG A 57 -9.780 -15.800 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.947 -15.944 -5.565 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.381 -17.062 -6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.988 -16.528 -7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.697 -18.298 -7.242 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.363 -18.335 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.117 -19.721 -6.209 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.226 -19.083 -7.838 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.772 -21.413 -7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.509 -18.596 -9.146 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.443 -19.417 -10.291 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.403 -22.453 -8.499 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.821 -21.591 -9.926 1.00 0.00 H new ATOM 962 N THR A 58 -8.020 -13.458 -5.556 1.00 0.00 N ATOM 963 CA THR A 58 -8.215 -12.069 -5.952 1.00 0.00 C ATOM 964 C THR A 58 -6.883 -11.338 -6.046 1.00 0.00 C ATOM 965 O THR A 58 -5.877 -11.779 -5.490 1.00 0.00 O ATOM 966 CB THR A 58 -9.122 -11.352 -4.951 1.00 0.00 C ATOM 967 OG1 THR A 58 -9.057 -11.978 -3.684 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.574 -11.314 -5.372 1.00 0.00 C ATOM 0 H THR A 58 -7.706 -13.582 -4.593 1.00 0.00 H new ATOM 0 HA THR A 58 -8.687 -12.064 -6.934 1.00 0.00 H new ATOM 0 HB THR A 58 -8.751 -10.328 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.481 -11.454 -3.089 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.159 -10.791 -4.615 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.663 -10.792 -6.325 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.948 -12.332 -5.480 1.00 0.00 H new ATOM 976 N THR A 59 -6.888 -10.209 -6.743 1.00 0.00 N ATOM 977 CA THR A 59 -5.689 -9.400 -6.904 1.00 0.00 C ATOM 978 C THR A 59 -5.969 -7.959 -6.503 1.00 0.00 C ATOM 979 O THR A 59 -7.099 -7.483 -6.611 1.00 0.00 O ATOM 980 CB THR A 59 -5.191 -9.457 -8.349 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.215 -9.910 -9.218 1.00 0.00 O ATOM 982 CG2 THR A 59 -3.998 -10.368 -8.537 1.00 0.00 C ATOM 0 H THR A 59 -7.714 -9.832 -7.208 1.00 0.00 H new ATOM 0 HA THR A 59 -4.912 -9.803 -6.254 1.00 0.00 H new ATOM 0 HB THR A 59 -4.892 -8.437 -8.588 1.00 0.00 H new ATOM 0 HG1 THR A 59 -5.876 -9.937 -10.137 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.697 -10.361 -9.585 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.171 -10.017 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.265 -11.383 -8.243 1.00 0.00 H new ATOM 990 N VAL A 60 -4.939 -7.265 -6.037 1.00 0.00 N ATOM 991 CA VAL A 60 -5.087 -5.877 -5.619 1.00 0.00 C ATOM 992 C VAL A 60 -4.015 -4.998 -6.252 1.00 0.00 C ATOM 993 O VAL A 60 -2.821 -5.269 -6.125 1.00 0.00 O ATOM 994 CB VAL A 60 -5.024 -5.741 -4.086 1.00 0.00 C ATOM 995 CG1 VAL A 60 -3.667 -6.181 -3.559 1.00 0.00 C ATOM 996 CG2 VAL A 60 -5.334 -4.313 -3.664 1.00 0.00 C ATOM 0 H VAL A 60 -3.995 -7.639 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.068 -5.544 -5.959 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.780 -6.396 -3.653 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.646 -6.076 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.494 -7.223 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.887 -5.559 -3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.285 -4.236 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.605 -3.636 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.334 -4.043 -4.002 1.00 0.00 H new ATOM 1006 N LYS A 61 -4.448 -3.944 -6.939 1.00 0.00 N ATOM 1007 CA LYS A 61 -3.513 -3.033 -7.594 1.00 0.00 C ATOM 1008 C LYS A 61 -4.128 -1.650 -7.793 1.00 0.00 C ATOM 1009 O LYS A 61 -5.349 -1.494 -7.784 1.00 0.00 O ATOM 1010 CB LYS A 61 -3.073 -3.606 -8.942 1.00 0.00 C ATOM 1011 CG LYS A 61 -4.198 -3.708 -9.959 1.00 0.00 C ATOM 1012 CD LYS A 61 -3.939 -4.813 -10.970 1.00 0.00 C ATOM 1013 CE LYS A 61 -4.798 -6.035 -10.690 1.00 0.00 C ATOM 1014 NZ LYS A 61 -4.134 -7.294 -11.128 1.00 0.00 N ATOM 0 H LYS A 61 -5.432 -3.701 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.643 -2.927 -6.945 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.280 -2.980 -9.352 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.647 -4.597 -8.784 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.139 -3.899 -9.443 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.307 -2.756 -10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.145 -4.444 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -2.886 -5.093 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.013 -6.091 -9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.754 -5.932 -11.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.753 -8.104 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.951 -7.252 -12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.234 -7.406 -10.620 1.00 0.00 H new ATOM 1028 N VAL A 62 -3.269 -0.652 -7.975 1.00 0.00 N ATOM 1029 CA VAL A 62 -3.717 0.720 -8.182 1.00 0.00 C ATOM 1030 C VAL A 62 -4.181 0.934 -9.620 1.00 0.00 C ATOM 1031 O VAL A 62 -3.784 0.197 -10.524 1.00 0.00 O ATOM 1032 CB VAL A 62 -2.600 1.730 -7.858 1.00 0.00 C ATOM 1033 CG1 VAL A 62 -2.379 1.822 -6.356 1.00 0.00 C ATOM 1034 CG2 VAL A 62 -1.312 1.349 -8.572 1.00 0.00 C ATOM 0 H VAL A 62 -2.256 -0.769 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.554 0.887 -7.504 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.910 2.712 -8.215 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.586 2.541 -6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.300 2.148 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.092 0.844 -5.970 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.534 2.074 -8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.996 0.357 -8.248 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.481 1.343 -9.649 1.00 0.00 H new ATOM 1044 N PRO A 63 -5.032 1.948 -9.855 1.00 0.00 N ATOM 1045 CA PRO A 63 -5.550 2.253 -11.194 1.00 0.00 C ATOM 1046 C PRO A 63 -4.457 2.723 -12.149 1.00 0.00 C ATOM 1047 O PRO A 63 -4.405 3.895 -12.524 1.00 0.00 O ATOM 1048 CB PRO A 63 -6.562 3.375 -10.943 1.00 0.00 C ATOM 1049 CG PRO A 63 -6.139 3.991 -9.655 1.00 0.00 C ATOM 1050 CD PRO A 63 -5.559 2.873 -8.835 1.00 0.00 C ATOM 0 HA PRO A 63 -5.982 1.373 -11.670 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -6.551 4.105 -11.752 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.578 2.984 -10.879 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.402 4.777 -9.821 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.986 4.451 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.773 3.228 -8.168 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.315 2.397 -8.211 1.00 0.00 H new ATOM 1058 N GLY A 64 -3.584 1.799 -12.542 1.00 0.00 N ATOM 1059 CA GLY A 64 -2.505 2.132 -13.454 1.00 0.00 C ATOM 1060 C GLY A 64 -1.667 3.302 -12.971 1.00 0.00 C ATOM 1061 O GLY A 64 -1.594 4.335 -13.636 1.00 0.00 O ATOM 0 H GLY A 64 -3.606 0.824 -12.244 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.863 1.261 -13.584 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.923 2.369 -14.432 1.00 0.00 H new ATOM 1065 N LYS A 65 -1.037 3.139 -11.813 1.00 0.00 N ATOM 1066 CA LYS A 65 -0.201 4.188 -11.245 1.00 0.00 C ATOM 1067 C LYS A 65 1.090 3.609 -10.676 1.00 0.00 C ATOM 1068 O LYS A 65 1.141 2.440 -10.291 1.00 0.00 O ATOM 1069 CB LYS A 65 -0.964 4.941 -10.153 1.00 0.00 C ATOM 1070 CG LYS A 65 -0.867 6.453 -10.276 1.00 0.00 C ATOM 1071 CD LYS A 65 -0.683 7.114 -8.920 1.00 0.00 C ATOM 1072 CE LYS A 65 -0.643 8.630 -9.038 1.00 0.00 C ATOM 1073 NZ LYS A 65 -1.965 9.193 -9.426 1.00 0.00 N ATOM 0 H LYS A 65 -1.090 2.290 -11.250 1.00 0.00 H new ATOM 0 HA LYS A 65 0.058 4.884 -12.043 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.013 4.649 -10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.580 4.639 -9.179 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.030 6.713 -10.925 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.770 6.839 -10.750 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.498 6.821 -8.258 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.241 6.759 -8.464 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.331 9.060 -8.086 1.00 0.00 H new ATOM 0 HE3 LYS A 65 0.105 8.917 -9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.140 10.068 -8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.968 9.402 -10.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.713 8.502 -9.213 1.00 0.00 H new ATOM 1087 N ARG A 66 2.130 4.434 -10.622 1.00 0.00 N ATOM 1088 CA ARG A 66 3.422 4.006 -10.098 1.00 0.00 C ATOM 1089 C ARG A 66 3.286 3.510 -8.660 1.00 0.00 C ATOM 1090 O ARG A 66 2.324 3.848 -7.968 1.00 0.00 O ATOM 1091 CB ARG A 66 4.427 5.157 -10.161 1.00 0.00 C ATOM 1092 CG ARG A 66 4.964 5.420 -11.559 1.00 0.00 C ATOM 1093 CD ARG A 66 6.001 4.385 -11.963 1.00 0.00 C ATOM 1094 NE ARG A 66 5.388 3.207 -12.574 1.00 0.00 N ATOM 1095 CZ ARG A 66 4.962 3.163 -13.834 1.00 0.00 C ATOM 1096 NH1 ARG A 66 5.078 4.226 -14.620 1.00 0.00 N ATOM 1097 NH2 ARG A 66 4.417 2.051 -14.310 1.00 0.00 N ATOM 0 H ARG A 66 2.103 5.404 -10.935 1.00 0.00 H new ATOM 0 HA ARG A 66 3.784 3.184 -10.715 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.952 6.064 -9.787 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.262 4.936 -9.496 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.141 5.410 -12.274 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.407 6.415 -11.598 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.706 4.832 -12.664 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.573 4.083 -11.086 1.00 0.00 H new ATOM 0 HE ARG A 66 5.280 2.370 -12.001 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.496 5.084 -14.259 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.749 4.185 -15.585 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.325 1.231 -13.710 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.090 2.016 -15.276 1.00 0.00 H new ATOM 1111 N PRO A 67 4.251 2.704 -8.188 1.00 0.00 N ATOM 1112 CA PRO A 67 4.235 2.166 -6.824 1.00 0.00 C ATOM 1113 C PRO A 67 4.090 3.267 -5.773 1.00 0.00 C ATOM 1114 O PRO A 67 4.944 4.149 -5.670 1.00 0.00 O ATOM 1115 CB PRO A 67 5.596 1.466 -6.685 1.00 0.00 C ATOM 1116 CG PRO A 67 6.410 1.941 -7.842 1.00 0.00 C ATOM 1117 CD PRO A 67 5.433 2.255 -8.934 1.00 0.00 C ATOM 0 HA PRO A 67 3.388 1.499 -6.663 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.073 1.721 -5.739 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.483 0.382 -6.703 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.992 2.823 -7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 67 7.119 1.176 -8.161 1.00 0.00 H new ATOM 0 HD2 PRO A 67 5.808 3.029 -9.603 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.217 1.381 -9.548 1.00 0.00 H new ATOM 1125 N PRO A 68 3.006 3.234 -4.977 1.00 0.00 N ATOM 1126 CA PRO A 68 2.762 4.237 -3.935 1.00 0.00 C ATOM 1127 C PRO A 68 3.718 4.095 -2.758 1.00 0.00 C ATOM 1128 O PRO A 68 3.491 3.288 -1.854 1.00 0.00 O ATOM 1129 CB PRO A 68 1.325 3.951 -3.498 1.00 0.00 C ATOM 1130 CG PRO A 68 1.122 2.506 -3.797 1.00 0.00 C ATOM 1131 CD PRO A 68 1.935 2.221 -5.030 1.00 0.00 C ATOM 0 HA PRO A 68 2.915 5.252 -4.302 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.184 4.160 -2.438 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.614 4.572 -4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.448 1.885 -2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.068 2.286 -3.965 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.339 1.209 -5.019 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.337 2.316 -5.936 1.00 0.00 H new ATOM 1139 N ARG A 69 4.787 4.884 -2.771 1.00 0.00 N ATOM 1140 CA ARG A 69 5.779 4.848 -1.704 1.00 0.00 C ATOM 1141 C ARG A 69 6.281 6.254 -1.384 1.00 0.00 C ATOM 1142 O ARG A 69 7.391 6.628 -1.764 1.00 0.00 O ATOM 1143 CB ARG A 69 6.952 3.951 -2.100 1.00 0.00 C ATOM 1144 CG ARG A 69 6.575 2.485 -2.244 1.00 0.00 C ATOM 1145 CD ARG A 69 7.009 1.675 -1.035 1.00 0.00 C ATOM 1146 NE ARG A 69 7.123 0.251 -1.342 1.00 0.00 N ATOM 1147 CZ ARG A 69 7.136 -0.709 -0.421 1.00 0.00 C ATOM 1148 NH1 ARG A 69 7.041 -0.403 0.867 1.00 0.00 N ATOM 1149 NH2 ARG A 69 7.243 -1.979 -0.789 1.00 0.00 N ATOM 0 H ARG A 69 4.988 5.557 -3.510 1.00 0.00 H new ATOM 0 HA ARG A 69 5.305 4.438 -0.812 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.367 4.305 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.738 4.044 -1.351 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.496 2.397 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.038 2.076 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.969 2.046 -0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 69 6.290 1.815 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 69 7.197 -0.024 -2.322 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.958 0.572 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.051 -1.143 1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.315 -2.219 -1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.253 -2.715 -0.083 1.00 0.00 H new ATOM 1163 N ALA A 70 5.456 7.027 -0.687 1.00 0.00 N ATOM 1164 CA ALA A 70 5.816 8.390 -0.318 1.00 0.00 C ATOM 1165 C ALA A 70 6.916 8.404 0.735 1.00 0.00 C ATOM 1166 O ALA A 70 7.812 9.247 0.702 1.00 0.00 O ATOM 1167 CB ALA A 70 4.591 9.140 0.186 1.00 0.00 C ATOM 0 H ALA A 70 4.534 6.733 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 70 6.197 8.891 -1.208 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.874 10.157 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.835 9.171 -0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.186 8.630 1.060 1.00 0.00 H new ATOM 1173 N ILE A 71 6.844 7.463 1.671 1.00 0.00 N ATOM 1174 CA ILE A 71 7.837 7.367 2.735 1.00 0.00 C ATOM 1175 C ILE A 71 9.226 7.097 2.167 1.00 0.00 C ATOM 1176 O ILE A 71 10.228 7.584 2.690 1.00 0.00 O ATOM 1177 CB ILE A 71 7.479 6.255 3.740 1.00 0.00 C ATOM 1178 CG1 ILE A 71 6.035 6.416 4.223 1.00 0.00 C ATOM 1179 CG2 ILE A 71 8.442 6.273 4.918 1.00 0.00 C ATOM 1180 CD1 ILE A 71 5.291 5.104 4.347 1.00 0.00 C ATOM 0 H ILE A 71 6.109 6.757 1.714 1.00 0.00 H new ATOM 0 HA ILE A 71 7.839 8.326 3.253 1.00 0.00 H new ATOM 0 HB ILE A 71 7.568 5.292 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.038 6.916 5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.499 7.065 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.175 5.482 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 71 9.459 6.113 4.559 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.383 7.238 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 71 4.275 5.293 4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.257 4.612 3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.804 4.461 5.062 1.00 0.00 H new ATOM 1192 N SER A 72 9.276 6.321 1.089 1.00 0.00 N ATOM 1193 CA SER A 72 10.542 5.985 0.445 1.00 0.00 C ATOM 1194 C SER A 72 11.440 5.189 1.386 1.00 0.00 C ATOM 1195 O SER A 72 11.736 5.627 2.498 1.00 0.00 O ATOM 1196 CB SER A 72 11.261 7.256 -0.012 1.00 0.00 C ATOM 1197 OG SER A 72 10.998 7.527 -1.378 1.00 0.00 O ATOM 0 H SER A 72 8.455 5.913 0.643 1.00 0.00 H new ATOM 0 HA SER A 72 10.323 5.367 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.938 8.100 0.598 1.00 0.00 H new ATOM 0 HB3 SER A 72 12.335 7.145 0.140 1.00 0.00 H new ATOM 0 HG SER A 72 11.467 8.345 -1.645 1.00 0.00 H new ATOM 1203 N ALA A 73 11.872 4.016 0.932 1.00 0.00 N ATOM 1204 CA ALA A 73 12.738 3.157 1.734 1.00 0.00 C ATOM 1205 C ALA A 73 14.212 3.414 1.443 1.00 0.00 C ATOM 1206 O ALA A 73 15.073 2.595 1.767 1.00 0.00 O ATOM 1207 CB ALA A 73 12.394 1.693 1.513 1.00 0.00 C ATOM 0 H ALA A 73 11.637 3.639 0.014 1.00 0.00 H new ATOM 0 HA ALA A 73 12.564 3.401 2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.051 1.069 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.358 1.515 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.527 1.443 0.460 1.00 0.00 H new ATOM 1213 N PHE A 74 14.490 4.554 0.835 1.00 0.00 N ATOM 1214 CA PHE A 74 15.858 4.932 0.496 1.00 0.00 C ATOM 1215 C PHE A 74 16.479 3.922 -0.464 1.00 0.00 C ATOM 1216 O PHE A 74 16.076 2.760 -0.505 1.00 0.00 O ATOM 1217 CB PHE A 74 16.708 5.039 1.762 1.00 0.00 C ATOM 1218 CG PHE A 74 17.905 5.934 1.608 1.00 0.00 C ATOM 1219 CD1 PHE A 74 17.801 7.297 1.836 1.00 0.00 C ATOM 1220 CD2 PHE A 74 19.134 5.413 1.236 1.00 0.00 C ATOM 1221 CE1 PHE A 74 18.898 8.122 1.697 1.00 0.00 C ATOM 1222 CE2 PHE A 74 20.235 6.235 1.094 1.00 0.00 C ATOM 1223 CZ PHE A 74 20.118 7.592 1.325 1.00 0.00 C ATOM 0 H PHE A 74 13.785 5.240 0.563 1.00 0.00 H new ATOM 0 HA PHE A 74 15.829 5.904 0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 74 16.087 5.413 2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 74 17.044 4.043 2.049 1.00 0.00 H new ATOM 0 HD1 PHE A 74 16.850 7.718 2.126 1.00 0.00 H new ATOM 0 HD2 PHE A 74 19.232 4.353 1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.803 9.182 1.879 1.00 0.00 H new ATOM 0 HE2 PHE A 74 21.187 5.817 0.802 1.00 0.00 H new ATOM 0 HZ PHE A 74 20.978 8.236 1.215 1.00 0.00 H new ATOM 1233 N GLY A 75 17.463 4.375 -1.235 1.00 0.00 N ATOM 1234 CA GLY A 75 18.127 3.500 -2.183 1.00 0.00 C ATOM 1235 C GLY A 75 17.832 3.875 -3.624 1.00 0.00 C ATOM 1236 O GLY A 75 16.707 4.264 -3.946 1.00 0.00 O ATOM 0 H GLY A 75 17.812 5.333 -1.220 1.00 0.00 H new ATOM 0 HA2 GLY A 75 19.203 3.537 -2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.811 2.472 -2.006 1.00 0.00 H new ATOM 1240 N PRO A 76 18.826 3.771 -4.525 1.00 0.00 N ATOM 1241 CA PRO A 76 18.646 4.108 -5.940 1.00 0.00 C ATOM 1242 C PRO A 76 17.472 3.365 -6.568 1.00 0.00 C ATOM 1243 O PRO A 76 17.556 2.167 -6.837 1.00 0.00 O ATOM 1244 CB PRO A 76 19.963 3.668 -6.585 1.00 0.00 C ATOM 1245 CG PRO A 76 20.956 3.692 -5.477 1.00 0.00 C ATOM 1246 CD PRO A 76 20.198 3.318 -4.233 1.00 0.00 C ATOM 0 HA PRO A 76 18.422 5.166 -6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 76 19.878 2.671 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 76 20.253 4.342 -7.391 1.00 0.00 H new ATOM 0 HG2 PRO A 76 21.768 2.989 -5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 76 21.406 4.680 -5.378 1.00 0.00 H new ATOM 0 HD2 PRO A 76 20.236 2.245 -4.046 1.00 0.00 H new ATOM 0 HD3 PRO A 76 20.605 3.811 -3.350 1.00 0.00 H new ATOM 1254 N SER A 77 16.378 4.084 -6.801 1.00 0.00 N ATOM 1255 CA SER A 77 15.187 3.492 -7.399 1.00 0.00 C ATOM 1256 C SER A 77 15.313 3.435 -8.917 1.00 0.00 C ATOM 1257 O SER A 77 16.322 3.859 -9.483 1.00 0.00 O ATOM 1258 CB SER A 77 13.943 4.291 -7.007 1.00 0.00 C ATOM 1259 OG SER A 77 13.809 5.451 -7.808 1.00 0.00 O ATOM 0 H SER A 77 16.292 5.077 -6.585 1.00 0.00 H new ATOM 0 HA SER A 77 15.089 2.474 -7.022 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.057 3.666 -7.115 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.006 4.576 -5.957 1.00 0.00 H new ATOM 0 HG SER A 77 13.006 5.943 -7.539 1.00 0.00 H new ATOM 1265 N ALA A 78 14.283 2.912 -9.572 1.00 0.00 N ATOM 1266 CA ALA A 78 14.280 2.799 -11.026 1.00 0.00 C ATOM 1267 C ALA A 78 14.017 4.152 -11.679 1.00 0.00 C ATOM 1268 O ALA A 78 14.521 4.437 -12.765 1.00 0.00 O ATOM 1269 CB ALA A 78 13.239 1.784 -11.475 1.00 0.00 C ATOM 0 H ALA A 78 13.439 2.560 -9.120 1.00 0.00 H new ATOM 0 HA ALA A 78 15.265 2.456 -11.342 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.248 1.710 -12.562 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.470 0.810 -11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 78 12.252 2.103 -11.141 1.00 0.00 H new ATOM 1275 N SER A 79 13.223 4.982 -11.011 1.00 0.00 N ATOM 1276 CA SER A 79 12.893 6.306 -11.527 1.00 0.00 C ATOM 1277 C SER A 79 12.201 7.150 -10.461 1.00 0.00 C ATOM 1278 O SER A 79 10.973 7.225 -10.416 1.00 0.00 O ATOM 1279 CB SER A 79 11.995 6.186 -12.761 1.00 0.00 C ATOM 1280 OG SER A 79 11.494 7.452 -13.152 1.00 0.00 O ATOM 0 H SER A 79 12.796 4.762 -10.111 1.00 0.00 H new ATOM 0 HA SER A 79 13.823 6.800 -11.808 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.558 5.745 -13.583 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.165 5.513 -12.546 1.00 0.00 H new ATOM 0 HG SER A 79 10.925 7.348 -13.943 1.00 0.00 H new ATOM 1286 N GLY A 80 12.998 7.780 -9.604 1.00 0.00 N ATOM 1287 CA GLY A 80 12.443 8.610 -8.551 1.00 0.00 C ATOM 1288 C GLY A 80 11.851 9.901 -9.079 1.00 0.00 C ATOM 1289 O GLY A 80 12.366 10.985 -8.807 1.00 0.00 O ATOM 0 H GLY A 80 14.017 7.731 -9.620 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.672 8.051 -8.021 1.00 0.00 H new ATOM 0 HA3 GLY A 80 13.224 8.842 -7.826 1.00 0.00 H new ATOM 1293 N SER A 81 10.765 9.785 -9.837 1.00 0.00 N ATOM 1294 CA SER A 81 10.102 10.953 -10.405 1.00 0.00 C ATOM 1295 C SER A 81 9.305 11.697 -9.339 1.00 0.00 C ATOM 1296 O SER A 81 9.244 11.273 -8.185 1.00 0.00 O ATOM 1297 CB SER A 81 9.179 10.535 -11.551 1.00 0.00 C ATOM 1298 OG SER A 81 9.840 10.632 -12.801 1.00 0.00 O ATOM 0 H SER A 81 10.326 8.895 -10.072 1.00 0.00 H new ATOM 0 HA SER A 81 10.869 11.623 -10.793 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.840 9.511 -11.394 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.291 11.167 -11.556 1.00 0.00 H new ATOM 0 HG SER A 81 9.229 10.358 -13.516 1.00 0.00 H new ATOM 1304 N ALA A 82 8.692 12.809 -9.734 1.00 0.00 N ATOM 1305 CA ALA A 82 7.897 13.612 -8.813 1.00 0.00 C ATOM 1306 C ALA A 82 8.748 14.113 -7.650 1.00 0.00 C ATOM 1307 O ALA A 82 9.027 13.372 -6.707 1.00 0.00 O ATOM 1308 CB ALA A 82 6.716 12.806 -8.297 1.00 0.00 C ATOM 0 H ALA A 82 8.731 13.174 -10.686 1.00 0.00 H new ATOM 0 HA ALA A 82 7.521 14.480 -9.355 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.131 13.417 -7.610 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.090 12.501 -9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.080 11.921 -7.775 1.00 0.00 H new ATOM 1314 N GLY A 83 9.157 15.376 -7.723 1.00 0.00 N ATOM 1315 CA GLY A 83 9.972 15.953 -6.671 1.00 0.00 C ATOM 1316 C GLY A 83 9.345 17.194 -6.068 1.00 0.00 C ATOM 1317 O GLY A 83 9.369 17.383 -4.852 1.00 0.00 O ATOM 0 H GLY A 83 8.938 16.009 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 83 10.128 15.211 -5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.954 16.204 -7.072 1.00 0.00 H new ATOM 1321 N GLN A 84 8.782 18.045 -6.921 1.00 0.00 N ATOM 1322 CA GLN A 84 8.145 19.275 -6.466 1.00 0.00 C ATOM 1323 C GLN A 84 6.641 19.084 -6.308 1.00 0.00 C ATOM 1324 O GLN A 84 6.021 19.669 -5.420 1.00 0.00 O ATOM 1325 CB GLN A 84 8.427 20.413 -7.449 1.00 0.00 C ATOM 1326 CG GLN A 84 7.825 21.744 -7.028 1.00 0.00 C ATOM 1327 CD GLN A 84 7.362 22.573 -8.209 1.00 0.00 C ATOM 1328 OE1 GLN A 84 6.168 22.816 -8.383 1.00 0.00 O ATOM 1329 NE2 GLN A 84 8.308 23.014 -9.032 1.00 0.00 N ATOM 0 H GLN A 84 8.754 17.905 -7.931 1.00 0.00 H new ATOM 0 HA GLN A 84 8.563 19.532 -5.493 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.505 20.529 -7.557 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.036 20.141 -8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.981 21.563 -6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.563 22.309 -6.459 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.286 22.790 -8.851 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.055 23.577 -9.844 1.00 0.00 H new ATOM 1338 N ALA A 85 6.062 18.261 -7.176 1.00 0.00 N ATOM 1339 CA ALA A 85 4.630 17.991 -7.133 1.00 0.00 C ATOM 1340 C ALA A 85 4.358 16.499 -6.982 1.00 0.00 C ATOM 1341 O ALA A 85 5.221 15.669 -7.266 1.00 0.00 O ATOM 1342 CB ALA A 85 3.954 18.528 -8.386 1.00 0.00 C ATOM 0 H ALA A 85 6.562 17.770 -7.917 1.00 0.00 H new ATOM 0 HA ALA A 85 4.215 18.500 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.885 18.319 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.111 19.605 -8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.381 18.045 -9.265 1.00 0.00 H new ATOM 1348 N GLU A 86 3.153 16.163 -6.534 1.00 0.00 N ATOM 1349 CA GLU A 86 2.768 14.771 -6.345 1.00 0.00 C ATOM 1350 C GLU A 86 1.250 14.624 -6.322 1.00 0.00 C ATOM 1351 O GLU A 86 0.559 15.337 -5.595 1.00 0.00 O ATOM 1352 CB GLU A 86 3.368 14.225 -5.048 1.00 0.00 C ATOM 1353 CG GLU A 86 3.879 12.799 -5.168 1.00 0.00 C ATOM 1354 CD GLU A 86 4.908 12.458 -4.108 1.00 0.00 C ATOM 1355 OE1 GLU A 86 5.686 13.356 -3.725 1.00 0.00 O ATOM 1356 OE2 GLU A 86 4.935 11.292 -3.660 1.00 0.00 O ATOM 0 H GLU A 86 2.426 16.837 -6.295 1.00 0.00 H new ATOM 0 HA GLU A 86 3.156 14.195 -7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.189 14.871 -4.737 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.614 14.267 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.039 12.108 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.318 12.656 -6.155 1.00 0.00 H new ATOM 1363 N GLU A 87 0.739 13.693 -7.121 1.00 0.00 N ATOM 1364 CA GLU A 87 -0.697 13.452 -7.192 1.00 0.00 C ATOM 1365 C GLU A 87 -1.244 13.016 -5.837 1.00 0.00 C ATOM 1366 O GLU A 87 -2.293 13.488 -5.400 1.00 0.00 O ATOM 1367 CB GLU A 87 -1.005 12.386 -8.245 1.00 0.00 C ATOM 1368 CG GLU A 87 -0.751 12.847 -9.671 1.00 0.00 C ATOM 1369 CD GLU A 87 -1.999 12.809 -10.530 1.00 0.00 C ATOM 1370 OE1 GLU A 87 -2.834 13.730 -10.405 1.00 0.00 O ATOM 1371 OE2 GLU A 87 -2.144 11.857 -11.327 1.00 0.00 O ATOM 0 H GLU A 87 1.298 13.093 -7.728 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.182 14.386 -7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.398 11.503 -8.044 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.048 12.084 -8.150 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.357 13.863 -9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.014 12.215 -10.122 1.00 0.00 H new ATOM 1378 N GLU A 88 -0.526 12.112 -5.177 1.00 0.00 N ATOM 1379 CA GLU A 88 -0.940 11.611 -3.872 1.00 0.00 C ATOM 1380 C GLU A 88 -2.332 10.990 -3.945 1.00 0.00 C ATOM 1381 O GLU A 88 -3.106 11.061 -2.991 1.00 0.00 O ATOM 1382 CB GLU A 88 -0.916 12.741 -2.841 1.00 0.00 C ATOM 1383 CG GLU A 88 0.207 12.611 -1.825 1.00 0.00 C ATOM 1384 CD GLU A 88 0.555 13.933 -1.168 1.00 0.00 C ATOM 1385 OE1 GLU A 88 -0.261 14.431 -0.365 1.00 0.00 O ATOM 1386 OE2 GLU A 88 1.645 14.471 -1.459 1.00 0.00 O ATOM 0 H GLU A 88 0.345 11.712 -5.525 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.238 10.837 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.817 13.694 -3.361 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.870 12.763 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.084 11.894 -1.058 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.093 12.210 -2.317 1.00 0.00 H new ATOM 1393 N ASN A 89 -2.642 10.380 -5.084 1.00 0.00 N ATOM 1394 CA ASN A 89 -3.939 9.743 -5.284 1.00 0.00 C ATOM 1395 C ASN A 89 -3.916 8.298 -4.796 1.00 0.00 C ATOM 1396 O ASN A 89 -3.363 7.419 -5.459 1.00 0.00 O ATOM 1397 CB ASN A 89 -4.328 9.792 -6.762 1.00 0.00 C ATOM 1398 CG ASN A 89 -4.934 11.123 -7.158 1.00 0.00 C ATOM 1399 OD1 ASN A 89 -4.916 12.080 -6.385 1.00 0.00 O ATOM 1400 ND2 ASN A 89 -5.474 11.190 -8.370 1.00 0.00 N ATOM 0 H ASN A 89 -2.012 10.313 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 89 -4.681 10.290 -4.702 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -3.446 9.602 -7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -5.040 8.995 -6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -5.896 12.061 -8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -5.466 10.371 -8.978 1.00 0.00 H new ATOM 1407 N PHE A 90 -4.515 8.059 -3.634 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.557 6.719 -3.059 1.00 0.00 C ATOM 1409 C PHE A 90 -5.846 5.992 -3.432 1.00 0.00 C ATOM 1410 O PHE A 90 -6.911 6.266 -2.880 1.00 0.00 O ATOM 1411 CB PHE A 90 -4.413 6.793 -1.538 1.00 0.00 C ATOM 1412 CG PHE A 90 -3.133 7.443 -1.096 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -2.957 8.810 -1.222 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -2.105 6.686 -0.555 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -1.780 9.412 -0.818 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -0.926 7.282 -0.150 1.00 0.00 C ATOM 1417 CZ PHE A 90 -0.763 8.647 -0.283 1.00 0.00 C ATOM 0 H PHE A 90 -4.977 8.774 -3.073 1.00 0.00 H new ATOM 0 HA PHE A 90 -3.722 6.152 -3.471 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.256 7.348 -1.126 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.463 5.785 -1.125 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.749 9.414 -1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.227 5.618 -0.449 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -1.656 10.480 -0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.133 6.681 0.270 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.158 9.115 0.031 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.732 5.060 -4.374 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.874 4.276 -4.834 1.00 0.00 C ATOM 1429 C GLU A 91 -6.422 2.874 -5.236 1.00 0.00 C ATOM 1430 O GLU A 91 -5.461 2.716 -5.989 1.00 0.00 O ATOM 1431 CB GLU A 91 -7.560 4.978 -6.008 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.829 6.453 -5.759 1.00 0.00 C ATOM 1433 CD GLU A 91 -6.610 7.321 -6.002 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -5.703 6.879 -6.737 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -6.564 8.443 -5.457 1.00 0.00 O ATOM 0 H GLU A 91 -4.853 4.828 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.592 4.187 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.937 4.875 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.504 4.475 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.640 6.784 -6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.167 6.588 -4.731 1.00 0.00 H new ATOM 1442 N PHE A 92 -7.109 1.858 -4.719 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.757 0.470 -5.019 1.00 0.00 C ATOM 1444 C PHE A 92 -7.936 -0.284 -5.632 1.00 0.00 C ATOM 1445 O PHE A 92 -9.095 0.050 -5.391 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.272 -0.244 -3.751 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.318 -0.373 -2.676 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -7.785 0.747 -2.005 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.831 -1.614 -2.338 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -8.747 0.630 -1.018 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.792 -1.737 -1.350 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.252 -0.613 -0.691 1.00 0.00 C ATOM 0 H PHE A 92 -7.908 1.967 -4.094 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.949 0.482 -5.751 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.920 -1.240 -4.021 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.417 0.298 -3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.393 1.722 -2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.477 -2.496 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.103 1.510 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.182 -2.711 -1.094 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.005 -0.706 0.078 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.624 -1.304 -6.431 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.650 -2.108 -7.088 1.00 0.00 C ATOM 1464 C LEU A 93 -8.609 -3.556 -6.611 1.00 0.00 C ATOM 1465 O LEU A 93 -7.538 -4.100 -6.344 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.465 -2.072 -8.607 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.666 -0.702 -9.257 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.326 -0.074 -9.604 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -9.535 -0.824 -10.501 1.00 0.00 C ATOM 0 H LEU A 93 -6.668 -1.592 -6.638 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.618 -1.681 -6.827 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.461 -2.424 -8.843 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.164 -2.776 -9.059 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.175 -0.055 -8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.489 0.900 -10.065 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.736 0.049 -8.696 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.791 -0.720 -10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.667 0.160 -10.950 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.053 -1.488 -11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.508 -1.231 -10.227 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.786 -4.170 -6.523 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.911 -5.561 -6.096 1.00 0.00 C ATOM 1483 C ILE A 94 -10.434 -6.415 -7.249 1.00 0.00 C ATOM 1484 O ILE A 94 -11.597 -6.308 -7.625 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.880 -5.690 -4.899 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.717 -4.505 -3.944 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.659 -7.000 -4.161 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.364 -4.454 -3.272 1.00 0.00 C ATOM 0 H ILE A 94 -10.675 -3.721 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.923 -5.907 -5.791 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.899 -5.685 -5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.874 -3.579 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.492 -4.556 -3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.353 -7.067 -3.323 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -10.830 -7.834 -4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.635 -7.040 -3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.319 -3.589 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.212 -5.364 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.584 -4.372 -4.029 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.576 -7.253 -7.819 1.00 0.00 N ATOM 1501 CA VAL A 95 -9.985 -8.093 -8.940 1.00 0.00 C ATOM 1502 C VAL A 95 -10.369 -9.497 -8.494 1.00 0.00 C ATOM 1503 O VAL A 95 -9.617 -10.169 -7.788 1.00 0.00 O ATOM 1504 CB VAL A 95 -8.875 -8.194 -10.007 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.341 -9.029 -11.192 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.452 -6.805 -10.463 1.00 0.00 C ATOM 0 H VAL A 95 -8.605 -7.369 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.861 -7.610 -9.373 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.013 -8.690 -9.561 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.543 -9.087 -11.932 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.595 -10.033 -10.852 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.219 -8.565 -11.641 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.668 -6.892 -11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.310 -6.285 -10.890 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.075 -6.241 -9.610 1.00 0.00 H new ATOM 1516 N SER A 96 -11.545 -9.938 -8.932 1.00 0.00 N ATOM 1517 CA SER A 96 -12.039 -11.266 -8.601 1.00 0.00 C ATOM 1518 C SER A 96 -11.641 -12.261 -9.684 1.00 0.00 C ATOM 1519 O SER A 96 -10.897 -11.923 -10.605 1.00 0.00 O ATOM 1520 CB SER A 96 -13.562 -11.244 -8.441 1.00 0.00 C ATOM 1521 OG SER A 96 -13.963 -11.961 -7.285 1.00 0.00 O ATOM 0 H SER A 96 -12.174 -9.390 -9.519 1.00 0.00 H new ATOM 0 HA SER A 96 -11.593 -11.576 -7.656 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.909 -10.213 -8.372 1.00 0.00 H new ATOM 0 HB3 SER A 96 -14.030 -11.680 -9.324 1.00 0.00 H new ATOM 0 HG SER A 96 -14.010 -11.349 -6.521 1.00 0.00 H new ATOM 1527 N SER A 97 -12.133 -13.488 -9.573 1.00 0.00 N ATOM 1528 CA SER A 97 -11.816 -14.523 -10.548 1.00 0.00 C ATOM 1529 C SER A 97 -12.712 -14.422 -11.779 1.00 0.00 C ATOM 1530 O SER A 97 -12.387 -14.966 -12.834 1.00 0.00 O ATOM 1531 CB SER A 97 -11.950 -15.909 -9.916 1.00 0.00 C ATOM 1532 OG SER A 97 -11.768 -15.850 -8.512 1.00 0.00 O ATOM 0 H SER A 97 -12.751 -13.790 -8.820 1.00 0.00 H new ATOM 0 HA SER A 97 -10.785 -14.373 -10.867 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.934 -16.321 -10.141 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.214 -16.584 -10.353 1.00 0.00 H new ATOM 0 HG SER A 97 -11.860 -16.749 -8.132 1.00 0.00 H new ATOM 1538 N THR A 98 -13.837 -13.726 -11.645 1.00 0.00 N ATOM 1539 CA THR A 98 -14.760 -13.570 -12.762 1.00 0.00 C ATOM 1540 C THR A 98 -14.592 -12.212 -13.432 1.00 0.00 C ATOM 1541 O THR A 98 -15.506 -11.714 -14.089 1.00 0.00 O ATOM 1542 CB THR A 98 -16.204 -13.749 -12.292 1.00 0.00 C ATOM 1543 OG1 THR A 98 -17.111 -13.502 -13.352 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.578 -12.833 -11.146 1.00 0.00 C ATOM 0 H THR A 98 -14.129 -13.266 -10.783 1.00 0.00 H new ATOM 0 HA THR A 98 -14.528 -14.342 -13.496 1.00 0.00 H new ATOM 0 HB THR A 98 -16.270 -14.781 -11.948 1.00 0.00 H new ATOM 0 HG1 THR A 98 -16.677 -12.944 -14.030 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.615 -13.011 -10.861 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.928 -13.033 -10.294 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.460 -11.795 -11.457 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.414 -11.623 -13.269 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.143 -10.331 -13.876 1.00 0.00 C ATOM 1554 C GLY A 99 -13.665 -9.162 -13.058 1.00 0.00 C ATOM 1555 O GLY A 99 -13.207 -8.032 -13.225 1.00 0.00 O ATOM 0 H GLY A 99 -12.642 -12.014 -12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.067 -10.219 -14.011 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.594 -10.302 -14.868 1.00 0.00 H new ATOM 1559 N GLN A 100 -14.627 -9.423 -12.173 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.199 -8.372 -11.337 1.00 0.00 C ATOM 1561 C GLN A 100 -14.101 -7.596 -10.621 1.00 0.00 C ATOM 1562 O GLN A 100 -13.316 -8.171 -9.867 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.167 -8.971 -10.313 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.426 -8.143 -10.110 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.500 -8.895 -9.349 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -18.744 -10.075 -9.597 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -19.151 -8.211 -8.414 1.00 0.00 N ATOM 0 H GLN A 100 -15.024 -10.350 -12.018 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.747 -7.686 -11.983 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.449 -9.973 -10.635 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.653 -9.076 -9.358 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.174 -7.231 -9.569 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.818 -7.840 -11.081 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.916 -7.234 -8.241 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.885 -8.663 -7.869 1.00 0.00 H new ATOM 1576 N THR A 101 -14.038 -6.292 -10.871 1.00 0.00 N ATOM 1577 CA THR A 101 -13.018 -5.456 -10.251 1.00 0.00 C ATOM 1578 C THR A 101 -13.631 -4.338 -9.415 1.00 0.00 C ATOM 1579 O THR A 101 -14.275 -3.431 -9.943 1.00 0.00 O ATOM 1580 CB THR A 101 -12.103 -4.858 -11.320 1.00 0.00 C ATOM 1581 OG1 THR A 101 -11.913 -5.772 -12.386 1.00 0.00 O ATOM 1582 CG2 THR A 101 -10.738 -4.478 -10.792 1.00 0.00 C ATOM 0 H THR A 101 -14.676 -5.795 -11.493 1.00 0.00 H new ATOM 0 HA THR A 101 -12.436 -6.093 -9.585 1.00 0.00 H new ATOM 0 HB THR A 101 -12.608 -3.954 -11.661 1.00 0.00 H new ATOM 0 HG1 THR A 101 -11.326 -5.370 -13.061 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.138 -4.060 -11.601 1.00 0.00 H new ATOM 0 HG22 THR A 101 -10.847 -3.736 -10.001 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.243 -5.363 -10.393 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.404 -4.403 -8.107 1.00 0.00 N ATOM 1591 CA TRP A 102 -13.901 -3.396 -7.184 1.00 0.00 C ATOM 1592 C TRP A 102 -12.878 -2.282 -7.021 1.00 0.00 C ATOM 1593 O TRP A 102 -11.863 -2.464 -6.347 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.162 -4.004 -5.809 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.257 -5.021 -5.767 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -15.914 -5.585 -6.822 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.817 -5.596 -4.587 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -16.851 -6.484 -6.362 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.813 -6.502 -4.993 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.572 -5.432 -3.224 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.563 -7.238 -4.077 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.319 -6.165 -2.325 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.298 -7.051 -2.754 1.00 0.00 C ATOM 0 H TRP A 102 -12.873 -5.152 -7.662 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.830 -3.001 -7.595 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.242 -4.467 -5.452 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.405 -3.201 -5.113 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.727 -5.360 -7.862 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.472 -7.045 -6.946 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.813 -4.745 -2.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.325 -7.930 -4.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.139 -6.047 -1.267 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.864 -7.606 -2.020 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.138 -1.129 -7.619 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.212 -0.013 -7.501 1.00 0.00 C ATOM 1616 C HIS A 103 -12.663 0.948 -6.406 1.00 0.00 C ATOM 1617 O HIS A 103 -13.725 1.557 -6.504 1.00 0.00 O ATOM 1618 CB HIS A 103 -12.079 0.732 -8.827 1.00 0.00 C ATOM 1619 CG HIS A 103 -10.933 1.691 -8.828 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -10.120 1.869 -7.731 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.460 2.527 -9.784 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.202 2.767 -8.002 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.380 3.183 -9.244 1.00 0.00 N ATOM 0 H HIS A 103 -13.968 -0.943 -8.182 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.236 -0.418 -7.234 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.947 0.011 -9.634 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -13.003 1.273 -9.031 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.856 2.654 -10.781 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.432 3.108 -7.325 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.808 3.878 -9.724 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.850 1.079 -5.363 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.180 1.971 -4.260 1.00 0.00 C ATOM 1634 C PHE A 104 -11.086 3.003 -4.025 1.00 0.00 C ATOM 1635 O PHE A 104 -9.925 2.798 -4.384 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.402 1.182 -2.966 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.381 0.048 -3.082 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.621 0.235 -3.667 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.060 -1.208 -2.586 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.525 -0.808 -3.757 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -13.958 -2.254 -2.676 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.193 -2.053 -3.260 1.00 0.00 C ATOM 0 H PHE A 104 -10.965 0.583 -5.259 1.00 0.00 H new ATOM 0 HA PHE A 104 -13.099 2.487 -4.538 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.444 0.784 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.751 1.868 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.886 1.206 -4.058 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.097 -1.369 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.490 -0.649 -4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.694 -3.228 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.898 -2.868 -3.328 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.468 4.104 -3.389 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.538 5.175 -3.063 1.00 0.00 C ATOM 1654 C GLU A 105 -10.562 5.436 -1.561 1.00 0.00 C ATOM 1655 O GLU A 105 -11.484 6.069 -1.044 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.893 6.451 -3.831 1.00 0.00 C ATOM 1657 CG GLU A 105 -10.052 7.657 -3.439 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.890 8.818 -2.940 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -11.328 8.775 -1.771 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -11.109 9.770 -3.717 1.00 0.00 O ATOM 0 H GLU A 105 -12.426 4.278 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.534 4.871 -3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.772 6.267 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.945 6.684 -3.665 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.345 7.365 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.466 7.981 -4.299 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.552 4.924 -0.865 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.456 5.081 0.580 1.00 0.00 C ATOM 1669 C ALA A 106 -9.524 6.546 0.994 1.00 0.00 C ATOM 1670 O ALA A 106 -8.823 7.393 0.440 1.00 0.00 O ATOM 1671 CB ALA A 106 -8.169 4.449 1.089 1.00 0.00 C ATOM 0 H ALA A 106 -8.786 4.395 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.310 4.572 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.106 4.572 2.170 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.163 3.387 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.314 4.935 0.619 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.366 6.835 1.981 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.520 8.196 2.480 1.00 0.00 C ATOM 1679 C ALA A 107 -9.262 8.637 3.221 1.00 0.00 C ATOM 1680 O ALA A 107 -8.899 9.814 3.208 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.737 8.293 3.387 1.00 0.00 C ATOM 0 H ALA A 107 -10.952 6.145 2.451 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.670 8.863 1.631 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.839 9.315 3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.631 8.017 2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.615 7.617 4.233 1.00 0.00 H new ATOM 1687 N SER A 108 -8.599 7.678 3.860 1.00 0.00 N ATOM 1688 CA SER A 108 -7.378 7.952 4.604 1.00 0.00 C ATOM 1689 C SER A 108 -6.175 7.324 3.907 1.00 0.00 C ATOM 1690 O SER A 108 -6.283 6.253 3.309 1.00 0.00 O ATOM 1691 CB SER A 108 -7.494 7.421 6.034 1.00 0.00 C ATOM 1692 OG SER A 108 -7.791 8.464 6.943 1.00 0.00 O ATOM 0 H SER A 108 -8.890 6.701 3.876 1.00 0.00 H new ATOM 0 HA SER A 108 -7.234 9.032 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 108 -8.274 6.661 6.081 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.560 6.938 6.323 1.00 0.00 H new ATOM 0 HG SER A 108 -7.862 8.098 7.849 1.00 0.00 H new ATOM 1698 N PHE A 109 -5.033 7.997 3.982 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.814 7.504 3.352 1.00 0.00 C ATOM 1700 C PHE A 109 -3.334 6.215 4.013 1.00 0.00 C ATOM 1701 O PHE A 109 -2.866 5.299 3.339 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.719 8.572 3.410 1.00 0.00 C ATOM 1703 CG PHE A 109 -2.897 9.682 2.404 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -4.087 9.825 1.702 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -1.871 10.580 2.161 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -4.245 10.842 0.779 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -2.026 11.599 1.239 1.00 0.00 C ATOM 1708 CZ PHE A 109 -3.215 11.729 0.547 1.00 0.00 C ATOM 0 H PHE A 109 -4.925 8.885 4.472 1.00 0.00 H new ATOM 0 HA PHE A 109 -4.038 7.283 2.308 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.697 9.002 4.411 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.752 8.097 3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -4.898 9.134 1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -0.939 10.483 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -5.175 10.942 0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.218 12.293 1.060 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.337 12.524 -0.174 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.456 6.147 5.334 1.00 0.00 N ATOM 1719 CA GLU A 110 -3.037 4.962 6.077 1.00 0.00 C ATOM 1720 C GLU A 110 -4.023 3.816 5.873 1.00 0.00 C ATOM 1721 O GLU A 110 -3.638 2.647 5.826 1.00 0.00 O ATOM 1722 CB GLU A 110 -2.915 5.286 7.568 1.00 0.00 C ATOM 1723 CG GLU A 110 -2.198 6.597 7.851 1.00 0.00 C ATOM 1724 CD GLU A 110 -3.019 7.540 8.707 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -4.137 7.905 8.283 1.00 0.00 O ATOM 1726 OE2 GLU A 110 -2.548 7.914 9.800 1.00 0.00 O ATOM 0 H GLU A 110 -3.840 6.895 5.912 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.063 4.652 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.913 5.326 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -2.382 4.476 8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -1.253 6.388 8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -1.958 7.086 6.907 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.301 4.162 5.760 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.354 3.169 5.569 1.00 0.00 C ATOM 1735 C GLU A 111 -6.168 2.407 4.259 1.00 0.00 C ATOM 1736 O GLU A 111 -6.367 1.194 4.208 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.726 3.844 5.589 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.794 3.030 6.302 1.00 0.00 C ATOM 1739 CD GLU A 111 -9.311 3.710 7.554 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -8.489 4.033 8.437 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -10.538 3.921 7.653 1.00 0.00 O ATOM 0 H GLU A 111 -5.634 5.125 5.797 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.292 2.454 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.637 4.816 6.075 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.046 4.029 4.563 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.626 2.853 5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.385 2.055 6.566 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.793 3.121 3.201 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.594 2.495 1.896 1.00 0.00 C ATOM 1750 C ARG A 112 -4.573 1.366 1.984 1.00 0.00 C ATOM 1751 O ARG A 112 -4.695 0.351 1.296 1.00 0.00 O ATOM 1752 CB ARG A 112 -5.146 3.536 0.863 1.00 0.00 C ATOM 1753 CG ARG A 112 -3.662 3.867 0.920 1.00 0.00 C ATOM 1754 CD ARG A 112 -2.854 3.008 -0.043 1.00 0.00 C ATOM 1755 NE ARG A 112 -3.335 3.119 -1.420 1.00 0.00 N ATOM 1756 CZ ARG A 112 -2.659 3.712 -2.405 1.00 0.00 C ATOM 1757 NH1 ARG A 112 -1.471 4.261 -2.180 1.00 0.00 N ATOM 1758 NH2 ARG A 112 -3.176 3.752 -3.626 1.00 0.00 N ATOM 0 H ARG A 112 -5.622 4.126 3.220 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.546 2.072 1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -5.388 3.170 -0.135 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.718 4.452 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.515 4.920 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.295 3.718 1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.806 3.306 -0.001 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.902 1.966 0.274 1.00 0.00 H new ATOM 0 HE ARG A 112 -4.246 2.717 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.065 4.232 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.965 4.711 -2.942 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -4.087 3.330 -3.808 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -2.663 4.204 -4.383 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.568 1.547 2.833 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.531 0.540 3.007 1.00 0.00 C ATOM 1774 C ASP A 113 -3.074 -0.658 3.774 1.00 0.00 C ATOM 1775 O ASP A 113 -2.895 -1.804 3.357 1.00 0.00 O ATOM 1776 CB ASP A 113 -1.326 1.133 3.740 1.00 0.00 C ATOM 1777 CG ASP A 113 -0.625 2.203 2.926 1.00 0.00 C ATOM 1778 OD1 ASP A 113 -0.506 2.032 1.696 1.00 0.00 O ATOM 1779 OD2 ASP A 113 -0.196 3.214 3.523 1.00 0.00 O ATOM 0 H ASP A 113 -3.450 2.380 3.410 1.00 0.00 H new ATOM 0 HA ASP A 113 -2.210 0.206 2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.654 1.558 4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.619 0.337 3.975 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.750 -0.390 4.886 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.325 -1.460 5.692 1.00 0.00 C ATOM 1786 C ALA A 114 -5.243 -2.322 4.841 1.00 0.00 C ATOM 1787 O ALA A 114 -5.167 -3.547 4.875 1.00 0.00 O ATOM 1788 CB ALA A 114 -5.079 -0.886 6.882 1.00 0.00 C ATOM 0 H ALA A 114 -3.912 0.550 5.247 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.516 -2.084 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.501 -1.699 7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.395 -0.306 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.882 -0.241 6.527 1.00 0.00 H new ATOM 1794 N TRP A 115 -6.101 -1.671 4.065 1.00 0.00 N ATOM 1795 CA TRP A 115 -7.023 -2.370 3.185 1.00 0.00 C ATOM 1796 C TRP A 115 -6.269 -3.227 2.178 1.00 0.00 C ATOM 1797 O TRP A 115 -6.497 -4.431 2.083 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.901 -1.365 2.460 1.00 0.00 C ATOM 1799 CG TRP A 115 -9.093 -0.979 3.263 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.238 0.130 4.037 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.298 -1.722 3.394 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.473 0.135 4.621 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.145 -0.994 4.243 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.746 -2.931 2.870 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.416 -1.439 4.575 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -12.008 -3.367 3.208 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.826 -2.626 4.047 1.00 0.00 C ATOM 0 H TRP A 115 -6.176 -0.654 4.029 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.648 -3.027 3.790 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.317 -0.474 2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.226 -1.788 1.510 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.487 0.895 4.170 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.835 0.862 5.238 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.118 -3.514 2.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.057 -0.866 5.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.368 -4.305 2.811 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.811 -2.998 4.288 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.361 -2.604 1.431 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.577 -3.330 0.441 1.00 0.00 C ATOM 1820 C VAL A 116 -3.851 -4.501 1.097 1.00 0.00 C ATOM 1821 O VAL A 116 -3.684 -5.562 0.493 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.564 -2.401 -0.265 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.540 -3.204 -1.059 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -4.289 -1.413 -1.169 1.00 0.00 C ATOM 0 H VAL A 116 -5.153 -1.607 1.492 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.263 -3.714 -0.314 1.00 0.00 H new ATOM 0 HB VAL A 116 -3.028 -1.842 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.841 -2.523 -1.544 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.994 -3.865 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.052 -3.799 -1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.561 -0.766 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.855 -1.958 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.970 -0.806 -0.572 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.439 -4.309 2.349 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.750 -5.357 3.089 1.00 0.00 C ATOM 1836 C GLN A 117 -3.756 -6.363 3.637 1.00 0.00 C ATOM 1837 O GLN A 117 -3.448 -7.543 3.790 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.925 -4.756 4.228 1.00 0.00 C ATOM 1839 CG GLN A 117 -0.426 -4.794 3.978 1.00 0.00 C ATOM 1840 CD GLN A 117 0.025 -3.742 2.984 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -0.031 -2.544 3.261 1.00 0.00 O ATOM 1842 NE2 GLN A 117 0.478 -4.187 1.817 1.00 0.00 N ATOM 0 H GLN A 117 -3.571 -3.441 2.868 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.073 -5.874 2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.233 -3.722 4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.145 -5.295 5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 117 0.100 -4.647 4.921 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.148 -5.781 3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.507 -5.189 1.630 1.00 0.00 H new ATOM 0 HE22 GLN A 117 0.797 -3.526 1.108 1.00 0.00 H new ATOM 1851 N ALA A 118 -4.965 -5.886 3.923 1.00 0.00 N ATOM 1852 CA ALA A 118 -6.021 -6.742 4.443 1.00 0.00 C ATOM 1853 C ALA A 118 -6.492 -7.708 3.368 1.00 0.00 C ATOM 1854 O ALA A 118 -6.658 -8.902 3.615 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.181 -5.901 4.949 1.00 0.00 C ATOM 0 H ALA A 118 -5.235 -4.910 3.802 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.624 -7.320 5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -7.963 -6.555 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.833 -5.243 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.580 -5.302 4.131 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.694 -7.178 2.169 1.00 0.00 N ATOM 1862 CA ILE A 119 -7.133 -7.986 1.043 1.00 0.00 C ATOM 1863 C ILE A 119 -6.055 -8.998 0.667 1.00 0.00 C ATOM 1864 O ILE A 119 -6.334 -10.187 0.519 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.487 -7.099 -0.177 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -8.853 -6.438 0.031 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.488 -7.911 -1.467 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.789 -5.131 0.792 1.00 0.00 C ATOM 0 H ILE A 119 -6.560 -6.190 1.953 1.00 0.00 H new ATOM 0 HA ILE A 119 -8.033 -8.523 1.342 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.724 -6.325 -0.265 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.312 -6.259 -0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.503 -7.129 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -7.740 -7.262 -2.305 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.500 -8.342 -1.626 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.225 -8.710 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.794 -4.723 0.900 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -8.360 -5.305 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.166 -4.422 0.246 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.819 -8.525 0.530 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.709 -9.407 0.192 1.00 0.00 C ATOM 1882 C GLU A 120 -3.451 -10.387 1.329 1.00 0.00 C ATOM 1883 O GLU A 120 -3.055 -11.530 1.101 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.446 -8.591 -0.097 1.00 0.00 C ATOM 1885 CG GLU A 120 -2.278 -8.232 -1.565 1.00 0.00 C ATOM 1886 CD GLU A 120 -1.146 -8.992 -2.228 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -0.097 -9.183 -1.576 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -1.307 -9.398 -3.397 1.00 0.00 O ATOM 0 H GLU A 120 -4.563 -7.544 0.647 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.973 -9.968 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.473 -7.674 0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.574 -9.157 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.208 -8.439 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.092 -7.162 -1.654 1.00 0.00 H new ATOM 1895 N SER A 121 -3.691 -9.934 2.558 1.00 0.00 N ATOM 1896 CA SER A 121 -3.496 -10.774 3.732 1.00 0.00 C ATOM 1897 C SER A 121 -4.506 -11.912 3.742 1.00 0.00 C ATOM 1898 O SER A 121 -4.156 -13.067 3.985 1.00 0.00 O ATOM 1899 CB SER A 121 -3.628 -9.948 5.013 1.00 0.00 C ATOM 1900 OG SER A 121 -3.633 -10.781 6.160 1.00 0.00 O ATOM 0 H SER A 121 -4.020 -8.991 2.764 1.00 0.00 H new ATOM 0 HA SER A 121 -2.491 -11.193 3.689 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.803 -9.239 5.079 1.00 0.00 H new ATOM 0 HB3 SER A 121 -4.548 -9.364 4.980 1.00 0.00 H new ATOM 0 HG SER A 121 -3.717 -10.229 6.965 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.761 -11.579 3.463 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.822 -12.577 3.427 1.00 0.00 C ATOM 1908 C GLN A 122 -6.537 -13.606 2.342 1.00 0.00 C ATOM 1909 O GLN A 122 -6.846 -14.789 2.492 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.174 -11.906 3.172 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.972 -11.647 4.439 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.277 -10.683 5.378 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -8.428 -9.467 5.261 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.512 -11.221 6.320 1.00 0.00 N ATOM 0 H GLN A 122 -6.068 -10.628 3.259 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.858 -13.082 4.392 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.009 -10.960 2.656 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.762 -12.535 2.504 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.950 -11.247 4.172 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.144 -12.591 4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.415 -12.235 6.381 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.021 -10.621 6.983 1.00 0.00 H new ATOM 1923 N ILE A 123 -5.934 -13.143 1.252 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.590 -14.015 0.139 1.00 0.00 C ATOM 1925 C ILE A 123 -4.397 -14.896 0.491 1.00 0.00 C ATOM 1926 O ILE A 123 -4.324 -16.055 0.082 1.00 0.00 O ATOM 1927 CB ILE A 123 -5.269 -13.199 -1.129 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.441 -12.282 -1.481 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -4.950 -14.119 -2.294 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -6.024 -11.017 -2.198 1.00 0.00 C ATOM 0 H ILE A 123 -5.674 -12.166 1.117 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.456 -14.647 -0.060 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.392 -12.584 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.145 -12.830 -2.107 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.970 -12.014 -0.566 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.727 -13.522 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.087 -14.736 -2.045 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.808 -14.760 -2.496 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -6.906 -10.415 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.343 -10.447 -1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.522 -11.276 -3.130 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.467 -14.340 1.260 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.281 -15.075 1.676 1.00 0.00 C ATOM 1944 C LEU A 124 -2.651 -16.185 2.653 1.00 0.00 C ATOM 1945 O LEU A 124 -2.038 -17.253 2.657 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.263 -14.125 2.315 1.00 0.00 C ATOM 1947 CG LEU A 124 -0.016 -13.851 1.471 1.00 0.00 C ATOM 1948 CD1 LEU A 124 0.422 -12.402 1.615 1.00 0.00 C ATOM 1949 CD2 LEU A 124 1.111 -14.792 1.866 1.00 0.00 C ATOM 0 H LEU A 124 -3.513 -13.382 1.607 1.00 0.00 H new ATOM 0 HA LEU A 124 -1.832 -15.529 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.756 -13.176 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -0.951 -14.542 3.273 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.264 -14.030 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.310 -12.228 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.381 -11.744 1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.651 -12.193 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.990 -14.583 1.256 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.356 -14.645 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.796 -15.823 1.708 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.659 -15.926 3.481 1.00 0.00 N ATOM 1962 CA ALA A 125 -4.112 -16.904 4.461 1.00 0.00 C ATOM 1963 C ALA A 125 -4.925 -18.007 3.796 1.00 0.00 C ATOM 1964 O ALA A 125 -4.844 -19.173 4.183 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.930 -16.222 5.548 1.00 0.00 C ATOM 0 H ALA A 125 -4.176 -15.047 3.492 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.234 -17.361 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.262 -16.965 6.273 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.316 -15.474 6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.798 -15.738 5.101 1.00 0.00 H new ATOM 1971 N SER A 126 -5.708 -17.630 2.791 1.00 0.00 N ATOM 1972 CA SER A 126 -6.537 -18.587 2.067 1.00 0.00 C ATOM 1973 C SER A 126 -5.691 -19.424 1.114 1.00 0.00 C ATOM 1974 O SER A 126 -6.015 -20.577 0.830 1.00 0.00 O ATOM 1975 CB SER A 126 -7.632 -17.856 1.289 1.00 0.00 C ATOM 1976 OG SER A 126 -8.845 -18.588 1.306 1.00 0.00 O ATOM 0 H SER A 126 -5.786 -16.669 2.459 1.00 0.00 H new ATOM 0 HA SER A 126 -7.001 -19.254 2.794 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.793 -16.869 1.722 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.310 -17.703 0.259 1.00 0.00 H new ATOM 0 HG SER A 126 -9.567 -18.033 0.945 1.00 0.00 H new ATOM 1982 N LEU A 127 -4.605 -18.835 0.622 1.00 0.00 N ATOM 1983 CA LEU A 127 -3.712 -19.528 -0.300 1.00 0.00 C ATOM 1984 C LEU A 127 -2.942 -20.631 0.415 1.00 0.00 C ATOM 1985 O LEU A 127 -2.859 -21.761 -0.067 1.00 0.00 O ATOM 1986 CB LEU A 127 -2.736 -18.536 -0.936 1.00 0.00 C ATOM 1987 CG LEU A 127 -3.231 -17.878 -2.224 1.00 0.00 C ATOM 1988 CD1 LEU A 127 -2.196 -16.894 -2.750 1.00 0.00 C ATOM 1989 CD2 LEU A 127 -3.547 -18.933 -3.273 1.00 0.00 C ATOM 0 H LEU A 127 -4.323 -17.881 0.846 1.00 0.00 H new ATOM 0 HA LEU A 127 -4.318 -19.984 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -2.511 -17.755 -0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -1.801 -19.054 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.146 -17.329 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.564 -16.434 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -2.017 -16.121 -2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.265 -17.421 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.898 -18.447 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -2.648 -19.509 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -4.322 -19.600 -2.896 1.00 0.00 H new ATOM 2001 N GLN A 128 -2.381 -20.292 1.567 1.00 0.00 N ATOM 2002 CA GLN A 128 -1.614 -21.247 2.358 1.00 0.00 C ATOM 2003 C GLN A 128 -2.507 -22.375 2.866 1.00 0.00 C ATOM 2004 O GLN A 128 -2.463 -23.475 2.277 1.00 0.00 O ATOM 2005 CB GLN A 128 -0.942 -20.543 3.539 1.00 0.00 C ATOM 2006 CG GLN A 128 -0.005 -19.419 3.123 1.00 0.00 C ATOM 2007 CD GLN A 128 1.333 -19.931 2.625 1.00 0.00 C ATOM 2008 OE1 GLN A 128 2.275 -20.092 3.400 1.00 0.00 O ATOM 2009 NE2 GLN A 128 1.422 -20.186 1.325 1.00 0.00 N ATOM 2010 OXT GLN A 128 -3.242 -22.148 3.851 1.00 0.00 O ATOM 0 H GLN A 128 -2.442 -19.360 1.977 1.00 0.00 H new ATOM 0 HA GLN A 128 -0.846 -21.676 1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -1.712 -20.139 4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -0.381 -21.277 4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -0.478 -18.827 2.339 1.00 0.00 H new ATOM 0 HG3 GLN A 128 0.157 -18.753 3.971 1.00 0.00 H new ATOM 0 HE21 GLN A 128 0.614 -20.038 0.720 1.00 0.00 H new ATOM 0 HE22 GLN A 128 2.298 -20.530 0.932 1.00 0.00 H new TER 2019 GLN A 128