USER MOD reduce.3.24.130724 H: found=0, std=0, add=1135, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1131 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 THR OG1 : rot -91:sc= 0.793 USER MOD Set 1.2: A 78 LYS NZ :NH3+ 157:sc= 0.178 (180deg=-1.11) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 SER OG : rot 164:sc= 1.19 USER MOD Set 3.1: A 50 HIS : no HE2:sc= 1.26 K(o=1.4,f=-5!) USER MOD Set 3.2: A 53 GLN : amide:sc= 0.0988 K(o=1.4,f=0.8) USER MOD Set 4.1: A 17 TYR OH : rot 6:sc= 1.04 USER MOD Set 4.2: A 110 ASN : amide:sc= 1.47 K(o=2.5,f=-1.6) USER MOD Set 5.1: A 4 MET CE :methyl -149:sc= -0.168 (180deg=-1.72!) USER MOD Set 5.2: A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 81:sc= 0.312 USER MOD Single : A 18 ASN : amide:sc= 0.44 K(o=0.44,f=-2.8!) USER MOD Single : A 25 SER OG : rot -93:sc= 1.1 USER MOD Single : A 31 THR OG1 : rot -54:sc= 0.453 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 39:sc= 1.81 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -66:sc= -0.116 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 48 TYR OH : rot 170:sc= 1.09 USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 54 GLN : amide:sc= 1.28 K(o=1.3,f=-0.39) USER MOD Single : A 55 CYS SG : rot 63:sc= 0.265 USER MOD Single : A 56 THR OG1 : rot -160:sc= -0.723 USER MOD Single : A 73 MET CE :methyl 180:sc= -0.0283 (180deg=-0.0283) USER MOD Single : A 74 SER OG : rot 4:sc= 0.364 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -100:sc= -0.256 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -1.28! C(o=-1.3!,f=-7!) USER MOD Single : A 96 LYS NZ :NH3+ -166:sc= -0.0583 (180deg=-0.301) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00358 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 161:sc= 0.419 (180deg=-0.919!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= 0.583 K(o=0.58,f=-0.41) USER MOD Single : A 113 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.16) USER MOD Single : A 118 SER OG : rot -2:sc= 1.23 USER MOD Single : A 121 LYS NZ :NH3+ 178:sc= 0.0793 (180deg=0.0222!) USER MOD Single : A 129 LYS NZ :NH3+ -153:sc= 1.27 (180deg=0.973) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 133 LYS NZ :NH3+ 167:sc= 0.208 (180deg=0.0968) USER MOD Single : A 134 LYS NZ :NH3+ 161:sc= 0.0318 (180deg=-0.824!) USER MOD Single : A 139 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.37) USER MOD Single : A 140 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= -0.0195 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.595 -30.898 -5.322 1.00 0.00 N ATOM 2 CA GLY A 1 2.750 -29.910 -6.388 1.00 0.00 C ATOM 3 C GLY A 1 3.185 -28.583 -5.815 1.00 0.00 C ATOM 4 O GLY A 1 4.187 -28.525 -5.105 1.00 0.00 O ATOM 0 H1 GLY A 1 2.295 -31.806 -5.731 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.503 -31.023 -4.830 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.877 -30.569 -4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.486 -30.259 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.808 -29.791 -6.923 1.00 0.00 H new ATOM 7 N ILE A 2 2.448 -27.519 -6.119 1.00 0.00 N ATOM 8 CA ILE A 2 2.677 -26.163 -5.641 1.00 0.00 C ATOM 9 C ILE A 2 1.339 -25.640 -5.123 1.00 0.00 C ATOM 10 O ILE A 2 0.443 -25.294 -5.897 1.00 0.00 O ATOM 11 CB ILE A 2 3.324 -25.285 -6.739 1.00 0.00 C ATOM 12 CG1 ILE A 2 2.658 -25.416 -8.131 1.00 0.00 C ATOM 13 CG2 ILE A 2 4.818 -25.637 -6.831 1.00 0.00 C ATOM 14 CD1 ILE A 2 3.116 -24.354 -9.132 1.00 0.00 C ATOM 0 H ILE A 2 1.637 -27.584 -6.734 1.00 0.00 H new ATOM 0 HA ILE A 2 3.397 -26.138 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 2 3.178 -24.246 -6.445 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.876 -26.404 -8.537 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.576 -25.351 -8.014 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.289 -25.026 -7.601 1.00 0.00 H new ATOM 0 HG22 ILE A 2 5.297 -25.444 -5.871 1.00 0.00 H new ATOM 0 HG23 ILE A 2 4.928 -26.691 -7.086 1.00 0.00 H new ATOM 0 HD11 ILE A 2 2.608 -24.508 -10.084 1.00 0.00 H new ATOM 0 HD12 ILE A 2 2.874 -23.363 -8.748 1.00 0.00 H new ATOM 0 HD13 ILE A 2 4.193 -24.433 -9.279 1.00 0.00 H new ATOM 26 N ARG A 3 1.129 -25.707 -3.811 1.00 0.00 N ATOM 27 CA ARG A 3 -0.104 -25.243 -3.182 1.00 0.00 C ATOM 28 C ARG A 3 0.182 -23.906 -2.522 1.00 0.00 C ATOM 29 O ARG A 3 1.297 -23.667 -2.061 1.00 0.00 O ATOM 30 CB ARG A 3 -0.607 -26.276 -2.159 1.00 0.00 C ATOM 31 CG ARG A 3 -1.011 -27.594 -2.842 1.00 0.00 C ATOM 32 CD ARG A 3 -1.659 -28.612 -1.895 1.00 0.00 C ATOM 33 NE ARG A 3 -3.013 -28.217 -1.468 1.00 0.00 N ATOM 34 CZ ARG A 3 -4.134 -28.319 -2.197 1.00 0.00 C ATOM 35 NH1 ARG A 3 -4.102 -28.757 -3.451 1.00 0.00 N ATOM 36 NH2 ARG A 3 -5.304 -27.996 -1.664 1.00 0.00 N ATOM 0 H ARG A 3 1.810 -26.085 -3.153 1.00 0.00 H new ATOM 0 HA ARG A 3 -0.890 -25.122 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.173 -26.470 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.461 -25.868 -1.618 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.705 -27.374 -3.653 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -0.127 -28.044 -3.293 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.708 -29.582 -2.391 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.028 -28.735 -1.015 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.106 -27.829 -0.529 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -3.214 -29.023 -3.876 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.966 -28.827 -3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.352 -27.670 -0.699 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.156 -28.074 -2.219 1.00 0.00 H new ATOM 50 N MET A 4 -0.826 -23.042 -2.469 1.00 0.00 N ATOM 51 CA MET A 4 -0.778 -21.752 -1.805 1.00 0.00 C ATOM 52 C MET A 4 -0.762 -22.028 -0.301 1.00 0.00 C ATOM 53 O MET A 4 -1.808 -22.052 0.353 1.00 0.00 O ATOM 54 CB MET A 4 -1.986 -20.920 -2.260 1.00 0.00 C ATOM 55 CG MET A 4 -2.047 -19.497 -1.699 1.00 0.00 C ATOM 56 SD MET A 4 -1.150 -18.210 -2.621 1.00 0.00 S ATOM 57 CE MET A 4 0.561 -18.471 -2.079 1.00 0.00 C ATOM 0 H MET A 4 -1.729 -23.231 -2.904 1.00 0.00 H new ATOM 0 HA MET A 4 0.110 -21.173 -2.057 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.979 -20.864 -3.349 1.00 0.00 H new ATOM 0 HB3 MET A 4 -2.897 -21.445 -1.974 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.094 -19.202 -1.636 1.00 0.00 H new ATOM 0 HG3 MET A 4 -1.660 -19.517 -0.680 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.093 -17.520 -2.084 1.00 0.00 H new ATOM 0 HE2 MET A 4 0.564 -18.883 -1.070 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.055 -19.167 -2.757 1.00 0.00 H new ATOM 67 N ALA A 5 0.425 -22.328 0.217 1.00 0.00 N ATOM 68 CA ALA A 5 0.729 -22.621 1.607 1.00 0.00 C ATOM 69 C ALA A 5 2.109 -22.045 1.923 1.00 0.00 C ATOM 70 O ALA A 5 2.958 -22.668 2.562 1.00 0.00 O ATOM 71 CB ALA A 5 0.642 -24.134 1.836 1.00 0.00 C ATOM 0 H ALA A 5 1.258 -22.375 -0.370 1.00 0.00 H new ATOM 0 HA ALA A 5 0.010 -22.160 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.870 -24.358 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.365 -24.480 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.359 -24.641 1.191 1.00 0.00 H new ATOM 77 N THR A 6 2.307 -20.823 1.461 1.00 0.00 N ATOM 78 CA THR A 6 3.506 -20.014 1.591 1.00 0.00 C ATOM 79 C THR A 6 3.450 -19.316 2.970 1.00 0.00 C ATOM 80 O THR A 6 2.450 -19.431 3.695 1.00 0.00 O ATOM 81 CB THR A 6 3.545 -19.094 0.350 1.00 0.00 C ATOM 82 OG1 THR A 6 3.114 -19.777 -0.823 1.00 0.00 O ATOM 83 CG2 THR A 6 4.952 -18.598 0.019 1.00 0.00 C ATOM 0 H THR A 6 1.576 -20.333 0.945 1.00 0.00 H new ATOM 0 HA THR A 6 4.447 -20.565 1.592 1.00 0.00 H new ATOM 0 HB THR A 6 2.889 -18.264 0.612 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.149 -19.166 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.914 -17.957 -0.862 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.346 -18.032 0.863 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.601 -19.451 -0.181 1.00 0.00 H new ATOM 91 N LYS A 7 4.507 -18.627 3.400 1.00 0.00 N ATOM 92 CA LYS A 7 4.610 -18.004 4.727 1.00 0.00 C ATOM 93 C LYS A 7 5.494 -16.757 4.688 1.00 0.00 C ATOM 94 O LYS A 7 5.937 -16.313 3.634 1.00 0.00 O ATOM 95 CB LYS A 7 5.235 -19.076 5.664 1.00 0.00 C ATOM 96 CG LYS A 7 4.979 -18.965 7.182 1.00 0.00 C ATOM 97 CD LYS A 7 3.763 -19.757 7.662 1.00 0.00 C ATOM 98 CE LYS A 7 2.477 -19.235 7.027 1.00 0.00 C ATOM 99 NZ LYS A 7 1.315 -20.036 7.433 1.00 0.00 N ATOM 0 H LYS A 7 5.337 -18.481 2.825 1.00 0.00 H new ATOM 0 HA LYS A 7 3.629 -17.683 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.876 -20.052 5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.314 -19.065 5.508 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.862 -19.314 7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.843 -17.915 7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.892 -20.811 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.688 -19.691 8.747 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.323 -18.195 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.572 -19.253 5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.457 -19.655 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.453 -21.023 7.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.211 -19.998 8.467 1.00 0.00 H new ATOM 113 N ILE A 8 5.696 -16.158 5.852 1.00 0.00 N ATOM 114 CA ILE A 8 6.564 -15.026 6.120 1.00 0.00 C ATOM 115 C ILE A 8 7.168 -15.296 7.490 1.00 0.00 C ATOM 116 O ILE A 8 6.527 -15.940 8.333 1.00 0.00 O ATOM 117 CB ILE A 8 5.864 -13.654 6.132 1.00 0.00 C ATOM 118 CG1 ILE A 8 4.961 -13.349 7.346 1.00 0.00 C ATOM 119 CG2 ILE A 8 5.146 -13.370 4.816 1.00 0.00 C ATOM 120 CD1 ILE A 8 3.633 -14.110 7.440 1.00 0.00 C ATOM 0 H ILE A 8 5.220 -16.476 6.696 1.00 0.00 H new ATOM 0 HA ILE A 8 7.294 -14.952 5.314 1.00 0.00 H new ATOM 0 HB ILE A 8 6.693 -12.955 6.247 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.532 -13.553 8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.739 -12.282 7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.666 -12.393 4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.867 -13.378 3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.391 -14.136 4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.099 -13.800 8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 8 3.025 -13.890 6.563 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.830 -15.181 7.486 1.00 0.00 H new ATOM 132 N ASP A 9 8.405 -14.876 7.718 1.00 0.00 N ATOM 133 CA ASP A 9 9.001 -15.004 9.042 1.00 0.00 C ATOM 134 C ASP A 9 8.655 -13.670 9.679 1.00 0.00 C ATOM 135 O ASP A 9 9.431 -12.714 9.598 1.00 0.00 O ATOM 136 CB ASP A 9 10.505 -15.262 9.029 1.00 0.00 C ATOM 137 CG ASP A 9 11.024 -15.438 10.464 1.00 0.00 C ATOM 138 OD1 ASP A 9 10.350 -15.045 11.447 1.00 0.00 O ATOM 139 OD2 ASP A 9 12.101 -16.060 10.601 1.00 0.00 O ATOM 0 H ASP A 9 9.009 -14.450 7.015 1.00 0.00 H new ATOM 0 HA ASP A 9 8.622 -15.871 9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 9 10.723 -16.155 8.443 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.020 -14.431 8.547 1.00 0.00 H new ATOM 144 N LYS A 10 7.440 -13.564 10.228 1.00 0.00 N ATOM 145 CA LYS A 10 7.001 -12.287 10.766 1.00 0.00 C ATOM 146 C LYS A 10 7.915 -11.754 11.850 1.00 0.00 C ATOM 147 O LYS A 10 8.064 -10.545 11.908 1.00 0.00 O ATOM 148 CB LYS A 10 5.522 -12.256 11.172 1.00 0.00 C ATOM 149 CG LYS A 10 5.190 -13.198 12.323 1.00 0.00 C ATOM 150 CD LYS A 10 3.786 -12.924 12.882 1.00 0.00 C ATOM 151 CE LYS A 10 3.538 -13.831 14.093 1.00 0.00 C ATOM 152 NZ LYS A 10 2.317 -13.473 14.841 1.00 0.00 N ATOM 0 H LYS A 10 6.766 -14.326 10.307 1.00 0.00 H new ATOM 0 HA LYS A 10 7.082 -11.593 9.930 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.252 -11.239 11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.910 -12.519 10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.252 -14.231 11.980 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.929 -13.081 13.116 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.695 -11.877 13.172 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.034 -13.108 12.115 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.461 -14.865 13.756 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.397 -13.777 14.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.202 -14.120 15.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.397 -12.496 15.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.491 -13.550 14.214 1.00 0.00 H new ATOM 166 N GLU A 11 8.538 -12.591 12.676 1.00 0.00 N ATOM 167 CA GLU A 11 9.355 -12.087 13.767 1.00 0.00 C ATOM 168 C GLU A 11 10.709 -11.621 13.244 1.00 0.00 C ATOM 169 O GLU A 11 11.142 -10.522 13.602 1.00 0.00 O ATOM 170 CB GLU A 11 9.433 -13.116 14.903 1.00 0.00 C ATOM 171 CG GLU A 11 8.141 -12.997 15.727 1.00 0.00 C ATOM 172 CD GLU A 11 8.044 -14.032 16.840 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.841 -13.974 17.801 1.00 0.00 O ATOM 174 OE2 GLU A 11 7.105 -14.863 16.782 1.00 0.00 O ATOM 0 H GLU A 11 8.492 -13.608 12.609 1.00 0.00 H new ATOM 0 HA GLU A 11 8.888 -11.205 14.205 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.539 -14.123 14.501 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.305 -12.929 15.529 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.085 -11.999 16.161 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.283 -13.104 15.063 1.00 0.00 H new ATOM 181 N ALA A 12 11.366 -12.382 12.363 1.00 0.00 N ATOM 182 CA ALA A 12 12.633 -11.929 11.796 1.00 0.00 C ATOM 183 C ALA A 12 12.422 -10.676 10.943 1.00 0.00 C ATOM 184 O ALA A 12 13.225 -9.746 11.005 1.00 0.00 O ATOM 185 CB ALA A 12 13.296 -13.039 10.982 1.00 0.00 C ATOM 0 H ALA A 12 11.048 -13.294 12.035 1.00 0.00 H new ATOM 0 HA ALA A 12 13.302 -11.674 12.618 1.00 0.00 H new ATOM 0 HB1 ALA A 12 14.238 -12.676 10.571 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.488 -13.897 11.626 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.636 -13.337 10.168 1.00 0.00 H new ATOM 191 N CYS A 13 11.335 -10.610 10.163 1.00 0.00 N ATOM 192 CA CYS A 13 11.090 -9.422 9.359 1.00 0.00 C ATOM 193 C CYS A 13 10.655 -8.250 10.246 1.00 0.00 C ATOM 194 O CYS A 13 11.030 -7.109 9.970 1.00 0.00 O ATOM 195 CB CYS A 13 10.070 -9.715 8.258 1.00 0.00 C ATOM 196 SG CYS A 13 10.623 -11.097 7.218 1.00 0.00 S ATOM 0 H CYS A 13 10.634 -11.346 10.077 1.00 0.00 H new ATOM 0 HA CYS A 13 12.020 -9.133 8.870 1.00 0.00 H new ATOM 0 HB2 CYS A 13 9.105 -9.954 8.704 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.926 -8.826 7.643 1.00 0.00 H new ATOM 0 HG CYS A 13 10.342 -12.222 7.806 1.00 0.00 H new ATOM 202 N ARG A 14 9.901 -8.512 11.324 1.00 0.00 N ATOM 203 CA ARG A 14 9.501 -7.490 12.287 1.00 0.00 C ATOM 204 C ARG A 14 10.734 -6.839 12.893 1.00 0.00 C ATOM 205 O ARG A 14 10.678 -5.646 13.171 1.00 0.00 O ATOM 206 CB ARG A 14 8.565 -8.057 13.371 1.00 0.00 C ATOM 207 CG ARG A 14 8.303 -7.142 14.581 1.00 0.00 C ATOM 208 CD ARG A 14 9.300 -7.433 15.713 1.00 0.00 C ATOM 209 NE ARG A 14 9.096 -6.553 16.871 1.00 0.00 N ATOM 210 CZ ARG A 14 9.235 -6.896 18.154 1.00 0.00 C ATOM 211 NH1 ARG A 14 9.648 -8.110 18.508 1.00 0.00 N ATOM 212 NH2 ARG A 14 8.921 -6.014 19.089 1.00 0.00 N ATOM 0 H ARG A 14 9.553 -9.444 11.548 1.00 0.00 H new ATOM 0 HA ARG A 14 8.931 -6.726 11.758 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.608 -8.297 12.908 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.987 -8.994 13.734 1.00 0.00 H new ATOM 0 HG2 ARG A 14 8.385 -6.098 14.278 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.285 -7.290 14.941 1.00 0.00 H new ATOM 0 HD2 ARG A 14 9.199 -8.472 16.026 1.00 0.00 H new ATOM 0 HD3 ARG A 14 10.317 -7.310 15.340 1.00 0.00 H new ATOM 0 HE ARG A 14 8.823 -5.590 16.677 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.867 -8.803 17.792 1.00 0.00 H new ATOM 0 HH12 ARG A 14 9.746 -8.348 19.495 1.00 0.00 H new ATOM 0 HH21 ARG A 14 8.579 -5.090 18.824 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.021 -6.258 20.074 1.00 0.00 H new ATOM 226 N ALA A 15 11.816 -7.588 13.125 1.00 0.00 N ATOM 227 CA ALA A 15 13.003 -7.048 13.761 1.00 0.00 C ATOM 228 C ALA A 15 13.527 -5.853 12.962 1.00 0.00 C ATOM 229 O ALA A 15 13.650 -4.771 13.532 1.00 0.00 O ATOM 230 CB ALA A 15 14.061 -8.141 13.950 1.00 0.00 C ATOM 0 H ALA A 15 11.886 -8.575 12.877 1.00 0.00 H new ATOM 0 HA ALA A 15 12.748 -6.686 14.757 1.00 0.00 H new ATOM 0 HB1 ALA A 15 14.943 -7.715 14.428 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.656 -8.935 14.577 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.338 -8.551 12.979 1.00 0.00 H new ATOM 236 N ALA A 16 13.777 -6.013 11.660 1.00 0.00 N ATOM 237 CA ALA A 16 14.237 -4.922 10.807 1.00 0.00 C ATOM 238 C ALA A 16 13.150 -3.856 10.632 1.00 0.00 C ATOM 239 O ALA A 16 13.455 -2.663 10.650 1.00 0.00 O ATOM 240 CB ALA A 16 14.636 -5.501 9.452 1.00 0.00 C ATOM 0 H ALA A 16 13.666 -6.901 11.171 1.00 0.00 H new ATOM 0 HA ALA A 16 15.094 -4.438 11.275 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.983 -4.698 8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 16 15.436 -6.229 9.589 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.774 -5.990 8.997 1.00 0.00 H new ATOM 246 N TYR A 17 11.887 -4.269 10.457 1.00 0.00 N ATOM 247 CA TYR A 17 10.748 -3.355 10.376 1.00 0.00 C ATOM 248 C TYR A 17 10.754 -2.377 11.548 1.00 0.00 C ATOM 249 O TYR A 17 10.622 -1.179 11.328 1.00 0.00 O ATOM 250 CB TYR A 17 9.431 -4.149 10.291 1.00 0.00 C ATOM 251 CG TYR A 17 8.178 -3.395 10.718 1.00 0.00 C ATOM 252 CD1 TYR A 17 7.889 -2.119 10.206 1.00 0.00 C ATOM 253 CD2 TYR A 17 7.384 -3.913 11.764 1.00 0.00 C ATOM 254 CE1 TYR A 17 6.875 -1.335 10.776 1.00 0.00 C ATOM 255 CE2 TYR A 17 6.353 -3.142 12.329 1.00 0.00 C ATOM 256 CZ TYR A 17 6.112 -1.835 11.853 1.00 0.00 C ATOM 257 OH TYR A 17 5.193 -1.053 12.480 1.00 0.00 O ATOM 0 H TYR A 17 11.630 -5.252 10.368 1.00 0.00 H new ATOM 0 HA TYR A 17 10.834 -2.762 9.465 1.00 0.00 H new ATOM 0 HB2 TYR A 17 9.297 -4.487 9.263 1.00 0.00 H new ATOM 0 HB3 TYR A 17 9.525 -5.041 10.910 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.452 -1.739 9.367 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.570 -4.911 12.134 1.00 0.00 H new ATOM 0 HE1 TYR A 17 6.678 -0.346 10.390 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.747 -3.549 13.125 1.00 0.00 H new ATOM 0 HH TYR A 17 5.112 -0.199 12.006 1.00 0.00 H new ATOM 267 N ASN A 18 10.934 -2.873 12.772 1.00 0.00 N ATOM 268 CA ASN A 18 10.909 -2.090 14.001 1.00 0.00 C ATOM 269 C ASN A 18 11.895 -0.923 13.946 1.00 0.00 C ATOM 270 O ASN A 18 11.559 0.166 14.403 1.00 0.00 O ATOM 271 CB ASN A 18 11.246 -3.025 15.170 1.00 0.00 C ATOM 272 CG ASN A 18 11.204 -2.352 16.531 1.00 0.00 C ATOM 273 OD1 ASN A 18 10.252 -1.648 16.867 1.00 0.00 O ATOM 274 ND2 ASN A 18 12.194 -2.626 17.360 1.00 0.00 N ATOM 0 H ASN A 18 11.107 -3.865 12.938 1.00 0.00 H new ATOM 0 HA ASN A 18 9.917 -1.659 14.133 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.546 -3.860 15.167 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.241 -3.442 15.013 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.184 -2.251 18.309 1.00 0.00 H new ATOM 0 HD22 ASN A 18 12.969 -3.213 17.052 1.00 0.00 H new ATOM 281 N LEU A 19 13.096 -1.146 13.402 1.00 0.00 N ATOM 282 CA LEU A 19 14.098 -0.123 13.197 1.00 0.00 C ATOM 283 C LEU A 19 13.659 0.846 12.131 1.00 0.00 C ATOM 284 O LEU A 19 13.527 2.025 12.426 1.00 0.00 O ATOM 285 CB LEU A 19 15.444 -0.720 12.756 1.00 0.00 C ATOM 286 CG LEU A 19 16.362 -1.290 13.837 1.00 0.00 C ATOM 287 CD1 LEU A 19 15.750 -2.375 14.722 1.00 0.00 C ATOM 288 CD2 LEU A 19 17.552 -1.887 13.087 1.00 0.00 C ATOM 0 H LEU A 19 13.395 -2.069 13.088 1.00 0.00 H new ATOM 0 HA LEU A 19 14.220 0.384 14.154 1.00 0.00 H new ATOM 0 HB2 LEU A 19 15.238 -1.515 12.039 1.00 0.00 H new ATOM 0 HB3 LEU A 19 15.995 0.055 12.224 1.00 0.00 H new ATOM 0 HG LEU A 19 16.609 -0.481 14.525 1.00 0.00 H new ATOM 0 HD11 LEU A 19 16.487 -2.707 15.453 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.880 -1.973 15.241 1.00 0.00 H new ATOM 0 HD13 LEU A 19 15.445 -3.220 14.104 1.00 0.00 H new ATOM 0 HD21 LEU A 19 18.255 -2.316 13.802 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.202 -2.666 12.410 1.00 0.00 H new ATOM 0 HD23 LEU A 19 18.050 -1.105 12.513 1.00 0.00 H new ATOM 300 N VAL A 20 13.453 0.370 10.904 1.00 0.00 N ATOM 301 CA VAL A 20 13.112 1.247 9.795 1.00 0.00 C ATOM 302 C VAL A 20 11.866 2.072 10.119 1.00 0.00 C ATOM 303 O VAL A 20 11.801 3.212 9.681 1.00 0.00 O ATOM 304 CB VAL A 20 13.010 0.421 8.502 1.00 0.00 C ATOM 305 CG1 VAL A 20 12.373 1.160 7.323 1.00 0.00 C ATOM 306 CG2 VAL A 20 14.413 0.005 8.061 1.00 0.00 C ATOM 0 H VAL A 20 13.517 -0.618 10.657 1.00 0.00 H new ATOM 0 HA VAL A 20 13.902 1.980 9.632 1.00 0.00 H new ATOM 0 HB VAL A 20 12.368 -0.425 8.749 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.342 0.502 6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.359 1.460 7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.963 2.045 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.347 -0.581 7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 20 15.016 0.895 7.880 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.877 -0.596 8.843 1.00 0.00 H new ATOM 316 N ARG A 21 10.919 1.556 10.909 1.00 0.00 N ATOM 317 CA ARG A 21 9.734 2.278 11.353 1.00 0.00 C ATOM 318 C ARG A 21 10.094 3.535 12.137 1.00 0.00 C ATOM 319 O ARG A 21 9.297 4.474 12.137 1.00 0.00 O ATOM 320 CB ARG A 21 8.889 1.357 12.260 1.00 0.00 C ATOM 321 CG ARG A 21 7.520 1.959 12.657 1.00 0.00 C ATOM 322 CD ARG A 21 7.245 2.045 14.169 1.00 0.00 C ATOM 323 NE ARG A 21 8.334 2.669 14.962 1.00 0.00 N ATOM 324 CZ ARG A 21 9.118 2.044 15.858 1.00 0.00 C ATOM 325 NH1 ARG A 21 9.014 0.725 16.009 1.00 0.00 N ATOM 326 NH2 ARG A 21 9.977 2.717 16.618 1.00 0.00 N ATOM 0 H ARG A 21 10.961 0.600 11.263 1.00 0.00 H new ATOM 0 HA ARG A 21 9.175 2.576 10.466 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.724 0.409 11.747 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.454 1.135 13.165 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.448 2.961 12.235 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.733 1.362 12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.328 2.613 14.326 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.067 1.039 14.550 1.00 0.00 H new ATOM 0 HE ARG A 21 8.503 3.664 14.813 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.344 0.199 15.448 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.604 0.241 16.686 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.052 3.730 16.528 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.561 2.220 17.291 1.00 0.00 H new ATOM 340 N ASP A 22 11.223 3.570 12.846 1.00 0.00 N ATOM 341 CA ASP A 22 11.522 4.724 13.677 1.00 0.00 C ATOM 342 C ASP A 22 12.212 5.846 12.897 1.00 0.00 C ATOM 343 O ASP A 22 13.246 5.611 12.266 1.00 0.00 O ATOM 344 CB ASP A 22 12.399 4.288 14.849 1.00 0.00 C ATOM 345 CG ASP A 22 12.216 5.344 15.923 1.00 0.00 C ATOM 346 OD1 ASP A 22 12.978 6.330 15.928 1.00 0.00 O ATOM 347 OD2 ASP A 22 11.208 5.180 16.650 1.00 0.00 O ATOM 0 H ASP A 22 11.926 2.831 12.860 1.00 0.00 H new ATOM 0 HA ASP A 22 10.575 5.125 14.040 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.102 3.305 15.214 1.00 0.00 H new ATOM 0 HB3 ASP A 22 13.444 4.214 14.548 1.00 0.00 H new ATOM 352 N ASP A 23 11.678 7.079 12.925 1.00 0.00 N ATOM 353 CA ASP A 23 12.318 8.227 12.291 1.00 0.00 C ATOM 354 C ASP A 23 13.697 8.579 12.858 1.00 0.00 C ATOM 355 O ASP A 23 14.449 9.305 12.201 1.00 0.00 O ATOM 356 CB ASP A 23 11.408 9.464 12.160 1.00 0.00 C ATOM 357 CG ASP A 23 10.451 9.461 10.957 1.00 0.00 C ATOM 358 OD1 ASP A 23 10.942 9.422 9.797 1.00 0.00 O ATOM 359 OD2 ASP A 23 9.238 9.661 11.155 1.00 0.00 O ATOM 0 H ASP A 23 10.796 7.299 13.387 1.00 0.00 H new ATOM 0 HA ASP A 23 12.500 7.880 11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.817 9.556 13.071 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.038 10.351 12.098 1.00 0.00 H new ATOM 364 N GLY A 24 14.052 8.062 14.036 1.00 0.00 N ATOM 365 CA GLY A 24 15.349 8.230 14.670 1.00 0.00 C ATOM 366 C GLY A 24 16.296 7.061 14.391 1.00 0.00 C ATOM 367 O GLY A 24 17.476 7.170 14.723 1.00 0.00 O ATOM 0 H GLY A 24 13.414 7.493 14.592 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.805 9.155 14.316 1.00 0.00 H new ATOM 0 HA3 GLY A 24 15.212 8.333 15.746 1.00 0.00 H new ATOM 371 N SER A 25 15.842 5.949 13.795 1.00 0.00 N ATOM 372 CA SER A 25 16.746 4.858 13.442 1.00 0.00 C ATOM 373 C SER A 25 17.685 5.354 12.347 1.00 0.00 C ATOM 374 O SER A 25 17.229 5.847 11.309 1.00 0.00 O ATOM 375 CB SER A 25 15.990 3.599 12.980 1.00 0.00 C ATOM 376 OG SER A 25 16.840 2.688 12.306 1.00 0.00 O ATOM 0 H SER A 25 14.865 5.787 13.552 1.00 0.00 H new ATOM 0 HA SER A 25 17.311 4.567 14.328 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.543 3.107 13.844 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.172 3.889 12.320 1.00 0.00 H new ATOM 0 HG SER A 25 16.806 2.861 11.342 1.00 0.00 H new ATOM 382 N ALA A 26 18.994 5.199 12.573 1.00 0.00 N ATOM 383 CA ALA A 26 19.993 5.536 11.573 1.00 0.00 C ATOM 384 C ALA A 26 19.796 4.639 10.346 1.00 0.00 C ATOM 385 O ALA A 26 20.081 5.069 9.235 1.00 0.00 O ATOM 386 CB ALA A 26 21.401 5.392 12.157 1.00 0.00 C ATOM 0 H ALA A 26 19.380 4.840 13.446 1.00 0.00 H new ATOM 0 HA ALA A 26 19.875 6.575 11.266 1.00 0.00 H new ATOM 0 HB1 ALA A 26 22.138 5.648 11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 26 21.512 6.062 13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 26 21.557 4.363 12.482 1.00 0.00 H new ATOM 392 N VAL A 27 19.346 3.391 10.529 1.00 0.00 N ATOM 393 CA VAL A 27 19.036 2.508 9.415 1.00 0.00 C ATOM 394 C VAL A 27 17.742 3.074 8.829 1.00 0.00 C ATOM 395 O VAL A 27 16.746 3.185 9.554 1.00 0.00 O ATOM 396 CB VAL A 27 18.872 1.053 9.908 1.00 0.00 C ATOM 397 CG1 VAL A 27 18.267 0.131 8.841 1.00 0.00 C ATOM 398 CG2 VAL A 27 20.228 0.485 10.354 1.00 0.00 C ATOM 0 H VAL A 27 19.190 2.975 11.447 1.00 0.00 H new ATOM 0 HA VAL A 27 19.826 2.470 8.665 1.00 0.00 H new ATOM 0 HB VAL A 27 18.181 1.087 10.750 1.00 0.00 H new ATOM 0 HG11 VAL A 27 18.175 -0.878 9.242 1.00 0.00 H new ATOM 0 HG12 VAL A 27 17.281 0.500 8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 27 18.914 0.115 7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 27 20.097 -0.541 10.699 1.00 0.00 H new ATOM 0 HG22 VAL A 27 20.923 0.500 9.514 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.628 1.093 11.166 1.00 0.00 H new ATOM 408 N ILE A 28 17.750 3.402 7.536 1.00 0.00 N ATOM 409 CA ILE A 28 16.596 3.962 6.845 1.00 0.00 C ATOM 410 C ILE A 28 16.078 2.969 5.804 1.00 0.00 C ATOM 411 O ILE A 28 14.893 3.015 5.475 1.00 0.00 O ATOM 412 CB ILE A 28 16.911 5.353 6.236 1.00 0.00 C ATOM 413 CG1 ILE A 28 17.651 5.321 4.875 1.00 0.00 C ATOM 414 CG2 ILE A 28 17.683 6.254 7.216 1.00 0.00 C ATOM 415 CD1 ILE A 28 16.645 5.483 3.726 1.00 0.00 C ATOM 0 H ILE A 28 18.567 3.284 6.937 1.00 0.00 H new ATOM 0 HA ILE A 28 15.800 4.128 7.571 1.00 0.00 H new ATOM 0 HB ILE A 28 15.925 5.775 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.392 6.119 4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.190 4.380 4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 28 17.881 7.217 6.746 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.088 6.405 8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 28 18.627 5.778 7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 28 17.174 5.459 2.773 1.00 0.00 H new ATOM 0 HD12 ILE A 28 15.921 4.669 3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 28 16.125 6.436 3.829 1.00 0.00 H new ATOM 427 N TRP A 29 16.928 2.068 5.295 1.00 0.00 N ATOM 428 CA TRP A 29 16.545 1.076 4.309 1.00 0.00 C ATOM 429 C TRP A 29 16.925 -0.305 4.809 1.00 0.00 C ATOM 430 O TRP A 29 17.945 -0.498 5.474 1.00 0.00 O ATOM 431 CB TRP A 29 17.157 1.379 2.928 1.00 0.00 C ATOM 432 CG TRP A 29 18.640 1.241 2.759 1.00 0.00 C ATOM 433 CD1 TRP A 29 19.522 2.262 2.675 1.00 0.00 C ATOM 434 CD2 TRP A 29 19.427 0.018 2.593 1.00 0.00 C ATOM 435 NE1 TRP A 29 20.790 1.753 2.484 1.00 0.00 N ATOM 436 CE2 TRP A 29 20.801 0.377 2.500 1.00 0.00 C ATOM 437 CE3 TRP A 29 19.126 -1.360 2.518 1.00 0.00 C ATOM 438 CZ2 TRP A 29 21.829 -0.579 2.455 1.00 0.00 C ATOM 439 CZ3 TRP A 29 20.145 -2.328 2.455 1.00 0.00 C ATOM 440 CH2 TRP A 29 21.495 -1.943 2.470 1.00 0.00 C ATOM 0 H TRP A 29 17.910 2.015 5.566 1.00 0.00 H new ATOM 0 HA TRP A 29 15.464 1.111 4.175 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.678 0.723 2.201 1.00 0.00 H new ATOM 0 HB3 TRP A 29 16.886 2.401 2.662 1.00 0.00 H new ATOM 0 HD1 TRP A 29 19.273 3.311 2.746 1.00 0.00 H new ATOM 0 HE1 TRP A 29 21.621 2.328 2.347 1.00 0.00 H new ATOM 0 HE3 TRP A 29 18.094 -1.677 2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 22.863 -0.269 2.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 19.887 -3.375 2.395 1.00 0.00 H new ATOM 0 HH2 TRP A 29 22.273 -2.692 2.493 1.00 0.00 H new ATOM 451 N VAL A 30 16.088 -1.263 4.448 1.00 0.00 N ATOM 452 CA VAL A 30 16.214 -2.688 4.690 1.00 0.00 C ATOM 453 C VAL A 30 15.782 -3.372 3.403 1.00 0.00 C ATOM 454 O VAL A 30 15.078 -2.799 2.567 1.00 0.00 O ATOM 455 CB VAL A 30 15.335 -3.080 5.900 1.00 0.00 C ATOM 456 CG1 VAL A 30 14.934 -4.560 6.012 1.00 0.00 C ATOM 457 CG2 VAL A 30 16.046 -2.707 7.210 1.00 0.00 C ATOM 0 H VAL A 30 15.233 -1.045 3.936 1.00 0.00 H new ATOM 0 HA VAL A 30 17.231 -2.990 4.940 1.00 0.00 H new ATOM 0 HB VAL A 30 14.414 -2.523 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.320 -4.704 6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.367 -4.851 5.128 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.831 -5.175 6.087 1.00 0.00 H new ATOM 0 HG21 VAL A 30 15.419 -2.987 8.057 1.00 0.00 H new ATOM 0 HG22 VAL A 30 16.997 -3.237 7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 30 16.227 -1.632 7.232 1.00 0.00 H new ATOM 467 N THR A 31 16.196 -4.617 3.249 1.00 0.00 N ATOM 468 CA THR A 31 15.812 -5.464 2.143 1.00 0.00 C ATOM 469 C THR A 31 15.110 -6.681 2.732 1.00 0.00 C ATOM 470 O THR A 31 15.349 -7.052 3.885 1.00 0.00 O ATOM 471 CB THR A 31 17.007 -5.792 1.237 1.00 0.00 C ATOM 472 OG1 THR A 31 18.087 -6.307 1.978 1.00 0.00 O ATOM 473 CG2 THR A 31 17.503 -4.569 0.462 1.00 0.00 C ATOM 0 H THR A 31 16.825 -5.075 3.909 1.00 0.00 H new ATOM 0 HA THR A 31 15.117 -4.956 1.474 1.00 0.00 H new ATOM 0 HB THR A 31 16.645 -6.540 0.531 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.310 -5.688 2.704 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.349 -4.853 -0.164 1.00 0.00 H new ATOM 0 HG22 THR A 31 16.699 -4.186 -0.167 1.00 0.00 H new ATOM 0 HG23 THR A 31 17.815 -3.795 1.164 1.00 0.00 H new ATOM 481 N PHE A 32 14.227 -7.296 1.954 1.00 0.00 N ATOM 482 CA PHE A 32 13.539 -8.513 2.323 1.00 0.00 C ATOM 483 C PHE A 32 13.890 -9.505 1.227 1.00 0.00 C ATOM 484 O PHE A 32 13.734 -9.237 0.032 1.00 0.00 O ATOM 485 CB PHE A 32 12.030 -8.275 2.509 1.00 0.00 C ATOM 486 CG PHE A 32 11.661 -7.534 3.790 1.00 0.00 C ATOM 487 CD1 PHE A 32 12.089 -8.033 5.036 1.00 0.00 C ATOM 488 CD2 PHE A 32 10.884 -6.358 3.758 1.00 0.00 C ATOM 489 CE1 PHE A 32 11.806 -7.340 6.226 1.00 0.00 C ATOM 490 CE2 PHE A 32 10.558 -5.693 4.957 1.00 0.00 C ATOM 491 CZ PHE A 32 11.029 -6.172 6.192 1.00 0.00 C ATOM 0 H PHE A 32 13.968 -6.949 1.030 1.00 0.00 H new ATOM 0 HA PHE A 32 13.849 -8.902 3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 32 11.656 -7.709 1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 32 11.519 -9.238 2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.642 -8.960 5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.538 -5.966 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.187 -7.707 7.168 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.941 -4.807 4.927 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.795 -5.646 7.106 1.00 0.00 H new ATOM 501 N LYS A 33 14.450 -10.627 1.656 1.00 0.00 N ATOM 502 CA LYS A 33 14.935 -11.716 0.836 1.00 0.00 C ATOM 503 C LYS A 33 13.877 -12.805 0.917 1.00 0.00 C ATOM 504 O LYS A 33 12.885 -12.675 1.639 1.00 0.00 O ATOM 505 CB LYS A 33 16.263 -12.220 1.426 1.00 0.00 C ATOM 506 CG LYS A 33 17.446 -11.255 1.319 1.00 0.00 C ATOM 507 CD LYS A 33 18.144 -11.362 -0.041 1.00 0.00 C ATOM 508 CE LYS A 33 19.497 -10.636 -0.022 1.00 0.00 C ATOM 509 NZ LYS A 33 20.415 -11.117 -1.079 1.00 0.00 N ATOM 0 H LYS A 33 14.584 -10.808 2.651 1.00 0.00 H new ATOM 0 HA LYS A 33 15.108 -11.416 -0.198 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.105 -12.457 2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.531 -13.151 0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.097 -10.233 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.162 -11.467 2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.293 -12.411 -0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.508 -10.933 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.333 -9.566 -0.148 1.00 0.00 H new ATOM 0 HE3 LYS A 33 19.966 -10.774 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.313 -10.595 -1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 20.596 -12.133 -0.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.982 -10.961 -2.012 1.00 0.00 H new ATOM 523 N TYR A 34 14.081 -13.882 0.175 1.00 0.00 N ATOM 524 CA TYR A 34 13.198 -15.028 0.222 1.00 0.00 C ATOM 525 C TYR A 34 14.032 -16.260 0.499 1.00 0.00 C ATOM 526 O TYR A 34 15.205 -16.332 0.124 1.00 0.00 O ATOM 527 CB TYR A 34 12.457 -15.175 -1.108 1.00 0.00 C ATOM 528 CG TYR A 34 11.332 -14.185 -1.309 1.00 0.00 C ATOM 529 CD1 TYR A 34 11.594 -12.808 -1.442 1.00 0.00 C ATOM 530 CD2 TYR A 34 10.009 -14.649 -1.376 1.00 0.00 C ATOM 531 CE1 TYR A 34 10.537 -11.900 -1.576 1.00 0.00 C ATOM 532 CE2 TYR A 34 8.952 -13.748 -1.572 1.00 0.00 C ATOM 533 CZ TYR A 34 9.209 -12.362 -1.643 1.00 0.00 C ATOM 534 OH TYR A 34 8.189 -11.468 -1.719 1.00 0.00 O ATOM 0 H TYR A 34 14.862 -13.983 -0.474 1.00 0.00 H new ATOM 0 HA TYR A 34 12.456 -14.898 1.010 1.00 0.00 H new ATOM 0 HB2 TYR A 34 13.172 -15.064 -1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 34 12.052 -16.185 -1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 34 12.613 -12.451 -1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.804 -15.705 -1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 34 10.741 -10.841 -1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 34 7.941 -14.115 -1.669 1.00 0.00 H new ATOM 0 HH TYR A 34 8.452 -10.720 -2.296 1.00 0.00 H new ATOM 544 N ASP A 35 13.399 -17.240 1.120 1.00 0.00 N ATOM 545 CA ASP A 35 13.949 -18.556 1.423 1.00 0.00 C ATOM 546 C ASP A 35 12.800 -19.569 1.337 1.00 0.00 C ATOM 547 O ASP A 35 11.651 -19.144 1.359 1.00 0.00 O ATOM 548 CB ASP A 35 14.575 -18.502 2.821 1.00 0.00 C ATOM 549 CG ASP A 35 15.176 -19.836 3.247 1.00 0.00 C ATOM 550 OD1 ASP A 35 15.635 -20.605 2.375 1.00 0.00 O ATOM 551 OD2 ASP A 35 15.168 -20.135 4.463 1.00 0.00 O ATOM 0 H ASP A 35 12.438 -17.137 1.445 1.00 0.00 H new ATOM 0 HA ASP A 35 14.727 -18.857 0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.351 -17.736 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.816 -18.203 3.544 1.00 0.00 H new ATOM 556 N GLY A 36 13.080 -20.874 1.251 1.00 0.00 N ATOM 557 CA GLY A 36 12.148 -22.007 1.191 1.00 0.00 C ATOM 558 C GLY A 36 10.751 -21.678 0.657 1.00 0.00 C ATOM 559 O GLY A 36 10.471 -21.848 -0.535 1.00 0.00 O ATOM 0 H GLY A 36 14.048 -21.193 1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.585 -22.783 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.047 -22.426 2.192 1.00 0.00 H new ATOM 563 N SER A 37 9.844 -21.271 1.539 1.00 0.00 N ATOM 564 CA SER A 37 8.496 -20.831 1.201 1.00 0.00 C ATOM 565 C SER A 37 8.140 -19.564 1.990 1.00 0.00 C ATOM 566 O SER A 37 6.963 -19.327 2.257 1.00 0.00 O ATOM 567 CB SER A 37 7.522 -21.996 1.428 1.00 0.00 C ATOM 568 OG SER A 37 7.674 -22.550 2.724 1.00 0.00 O ATOM 0 H SER A 37 10.034 -21.237 2.541 1.00 0.00 H new ATOM 0 HA SER A 37 8.427 -20.555 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 37 6.498 -21.647 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.694 -22.768 0.678 1.00 0.00 H new ATOM 0 HG SER A 37 7.040 -23.288 2.841 1.00 0.00 H new ATOM 574 N THR A 38 9.122 -18.751 2.390 1.00 0.00 N ATOM 575 CA THR A 38 8.910 -17.584 3.217 1.00 0.00 C ATOM 576 C THR A 38 9.783 -16.382 2.874 1.00 0.00 C ATOM 577 O THR A 38 10.856 -16.486 2.284 1.00 0.00 O ATOM 578 CB THR A 38 9.098 -18.048 4.672 1.00 0.00 C ATOM 579 OG1 THR A 38 8.707 -17.090 5.624 1.00 0.00 O ATOM 580 CG2 THR A 38 10.533 -18.403 5.054 1.00 0.00 C ATOM 0 H THR A 38 10.099 -18.897 2.138 1.00 0.00 H new ATOM 0 HA THR A 38 7.905 -17.201 3.039 1.00 0.00 H new ATOM 0 HB THR A 38 8.462 -18.933 4.694 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.303 -16.314 5.570 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.565 -18.718 6.097 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.888 -19.214 4.419 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.172 -17.530 4.919 1.00 0.00 H new ATOM 588 N ILE A 39 9.287 -15.214 3.276 1.00 0.00 N ATOM 589 CA ILE A 39 9.979 -13.942 3.158 1.00 0.00 C ATOM 590 C ILE A 39 10.863 -13.883 4.416 1.00 0.00 C ATOM 591 O ILE A 39 10.418 -14.331 5.485 1.00 0.00 O ATOM 592 CB ILE A 39 8.953 -12.793 3.103 1.00 0.00 C ATOM 593 CG1 ILE A 39 8.308 -12.689 1.710 1.00 0.00 C ATOM 594 CG2 ILE A 39 9.592 -11.422 3.390 1.00 0.00 C ATOM 595 CD1 ILE A 39 7.441 -13.858 1.231 1.00 0.00 C ATOM 0 H ILE A 39 8.365 -15.129 3.705 1.00 0.00 H new ATOM 0 HA ILE A 39 10.575 -13.846 2.251 1.00 0.00 H new ATOM 0 HB ILE A 39 8.213 -13.031 3.867 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.694 -11.789 1.692 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.106 -12.545 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.828 -10.647 3.339 1.00 0.00 H new ATOM 0 HG22 ILE A 39 10.036 -11.429 4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 39 10.365 -11.219 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.056 -13.641 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 39 8.042 -14.767 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.608 -13.999 1.919 1.00 0.00 H new ATOM 607 N VAL A 40 12.077 -13.337 4.299 1.00 0.00 N ATOM 608 CA VAL A 40 13.073 -13.239 5.374 1.00 0.00 C ATOM 609 C VAL A 40 13.760 -11.860 5.339 1.00 0.00 C ATOM 610 O VAL A 40 13.702 -11.198 4.300 1.00 0.00 O ATOM 611 CB VAL A 40 14.081 -14.406 5.261 1.00 0.00 C ATOM 612 CG1 VAL A 40 13.401 -15.746 5.012 1.00 0.00 C ATOM 613 CG2 VAL A 40 15.088 -14.255 4.130 1.00 0.00 C ATOM 0 H VAL A 40 12.407 -12.936 3.421 1.00 0.00 H new ATOM 0 HA VAL A 40 12.582 -13.325 6.343 1.00 0.00 H new ATOM 0 HB VAL A 40 14.587 -14.376 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.156 -16.529 4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 40 12.723 -15.969 5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.837 -15.700 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 40 15.757 -15.115 4.121 1.00 0.00 H new ATOM 0 HG22 VAL A 40 14.560 -14.196 3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.669 -13.345 4.279 1.00 0.00 H new ATOM 623 N PRO A 41 14.429 -11.389 6.410 1.00 0.00 N ATOM 624 CA PRO A 41 15.163 -10.127 6.359 1.00 0.00 C ATOM 625 C PRO A 41 16.422 -10.282 5.497 1.00 0.00 C ATOM 626 O PRO A 41 16.986 -11.375 5.386 1.00 0.00 O ATOM 627 CB PRO A 41 15.504 -9.784 7.811 1.00 0.00 C ATOM 628 CG PRO A 41 15.574 -11.153 8.483 1.00 0.00 C ATOM 629 CD PRO A 41 14.494 -11.954 7.750 1.00 0.00 C ATOM 0 HA PRO A 41 14.579 -9.327 5.904 1.00 0.00 H new ATOM 0 HB2 PRO A 41 16.450 -9.249 7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 41 14.742 -9.150 8.265 1.00 0.00 H new ATOM 0 HG2 PRO A 41 16.559 -11.607 8.371 1.00 0.00 H new ATOM 0 HG3 PRO A 41 15.372 -11.088 9.552 1.00 0.00 H new ATOM 0 HD2 PRO A 41 14.747 -13.014 7.717 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.533 -11.871 8.257 1.00 0.00 H new ATOM 637 N GLY A 42 16.872 -9.180 4.905 1.00 0.00 N ATOM 638 CA GLY A 42 18.082 -9.069 4.110 1.00 0.00 C ATOM 639 C GLY A 42 19.012 -8.033 4.729 1.00 0.00 C ATOM 640 O GLY A 42 19.024 -7.845 5.948 1.00 0.00 O ATOM 0 H GLY A 42 16.372 -8.294 4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 42 18.583 -10.035 4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 42 17.832 -8.783 3.088 1.00 0.00 H new ATOM 644 N GLU A 43 19.836 -7.413 3.888 1.00 0.00 N ATOM 645 CA GLU A 43 20.744 -6.333 4.245 1.00 0.00 C ATOM 646 C GLU A 43 19.959 -5.111 4.724 1.00 0.00 C ATOM 647 O GLU A 43 18.767 -4.967 4.427 1.00 0.00 O ATOM 648 CB GLU A 43 21.576 -5.941 3.010 1.00 0.00 C ATOM 649 CG GLU A 43 22.511 -7.055 2.535 1.00 0.00 C ATOM 650 CD GLU A 43 23.513 -7.435 3.621 1.00 0.00 C ATOM 651 OE1 GLU A 43 24.379 -6.611 3.996 1.00 0.00 O ATOM 652 OE2 GLU A 43 23.426 -8.567 4.140 1.00 0.00 O ATOM 0 H GLU A 43 19.889 -7.661 2.900 1.00 0.00 H new ATOM 0 HA GLU A 43 21.397 -6.674 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 43 20.902 -5.670 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.166 -5.055 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.925 -7.930 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 43 23.045 -6.729 1.642 1.00 0.00 H new ATOM 659 N GLN A 44 20.663 -4.204 5.398 1.00 0.00 N ATOM 660 CA GLN A 44 20.169 -2.941 5.920 1.00 0.00 C ATOM 661 C GLN A 44 21.243 -1.864 5.748 1.00 0.00 C ATOM 662 O GLN A 44 22.429 -2.197 5.627 1.00 0.00 O ATOM 663 CB GLN A 44 19.798 -3.144 7.398 1.00 0.00 C ATOM 664 CG GLN A 44 21.009 -3.390 8.318 1.00 0.00 C ATOM 665 CD GLN A 44 20.585 -3.985 9.657 1.00 0.00 C ATOM 666 OE1 GLN A 44 19.875 -3.357 10.439 1.00 0.00 O ATOM 667 NE2 GLN A 44 20.972 -5.216 9.944 1.00 0.00 N ATOM 0 H GLN A 44 21.652 -4.344 5.604 1.00 0.00 H new ATOM 0 HA GLN A 44 19.283 -2.611 5.378 1.00 0.00 H new ATOM 0 HB2 GLN A 44 19.259 -2.265 7.751 1.00 0.00 H new ATOM 0 HB3 GLN A 44 19.116 -3.990 7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 44 21.710 -4.064 7.825 1.00 0.00 H new ATOM 0 HG3 GLN A 44 21.535 -2.450 8.487 1.00 0.00 H new ATOM 0 HE21 GLN A 44 21.561 -5.731 9.290 1.00 0.00 H new ATOM 0 HE22 GLN A 44 20.681 -5.651 10.820 1.00 0.00 H new ATOM 676 N GLY A 45 20.855 -0.588 5.806 1.00 0.00 N ATOM 677 CA GLY A 45 21.780 0.529 5.712 1.00 0.00 C ATOM 678 C GLY A 45 21.092 1.879 5.902 1.00 0.00 C ATOM 679 O GLY A 45 19.882 1.970 6.128 1.00 0.00 O ATOM 0 H GLY A 45 19.882 -0.305 5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 45 22.560 0.414 6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 45 22.270 0.509 4.739 1.00 0.00 H new ATOM 683 N ALA A 46 21.896 2.941 5.818 1.00 0.00 N ATOM 684 CA ALA A 46 21.493 4.328 6.038 1.00 0.00 C ATOM 685 C ALA A 46 21.714 5.207 4.802 1.00 0.00 C ATOM 686 O ALA A 46 21.186 6.312 4.735 1.00 0.00 O ATOM 687 CB ALA A 46 22.331 4.884 7.196 1.00 0.00 C ATOM 0 H ALA A 46 22.885 2.853 5.585 1.00 0.00 H new ATOM 0 HA ALA A 46 20.426 4.343 6.261 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.051 5.921 7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.150 4.292 8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.388 4.835 6.936 1.00 0.00 H new ATOM 693 N GLU A 47 22.475 4.730 3.815 1.00 0.00 N ATOM 694 CA GLU A 47 22.848 5.480 2.625 1.00 0.00 C ATOM 695 C GLU A 47 22.331 4.718 1.407 1.00 0.00 C ATOM 696 O GLU A 47 22.578 3.516 1.291 1.00 0.00 O ATOM 697 CB GLU A 47 24.377 5.603 2.614 1.00 0.00 C ATOM 698 CG GLU A 47 24.884 6.486 1.468 1.00 0.00 C ATOM 699 CD GLU A 47 26.291 6.075 1.044 1.00 0.00 C ATOM 700 OE1 GLU A 47 26.422 4.942 0.527 1.00 0.00 O ATOM 701 OE2 GLU A 47 27.216 6.901 1.103 1.00 0.00 O ATOM 0 H GLU A 47 22.857 3.784 3.827 1.00 0.00 H new ATOM 0 HA GLU A 47 22.417 6.481 2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 47 24.712 6.018 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 47 24.818 4.610 2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 47 24.207 6.409 0.617 1.00 0.00 H new ATOM 0 HG3 GLU A 47 24.885 7.530 1.781 1.00 0.00 H new ATOM 708 N TYR A 48 21.645 5.397 0.484 1.00 0.00 N ATOM 709 CA TYR A 48 21.031 4.740 -0.669 1.00 0.00 C ATOM 710 C TYR A 48 22.026 4.524 -1.824 1.00 0.00 C ATOM 711 O TYR A 48 21.758 3.728 -2.715 1.00 0.00 O ATOM 712 CB TYR A 48 19.803 5.546 -1.113 1.00 0.00 C ATOM 713 CG TYR A 48 18.919 4.843 -2.128 1.00 0.00 C ATOM 714 CD1 TYR A 48 17.880 3.988 -1.709 1.00 0.00 C ATOM 715 CD2 TYR A 48 19.110 5.080 -3.501 1.00 0.00 C ATOM 716 CE1 TYR A 48 17.038 3.376 -2.658 1.00 0.00 C ATOM 717 CE2 TYR A 48 18.269 4.476 -4.451 1.00 0.00 C ATOM 718 CZ TYR A 48 17.227 3.621 -4.036 1.00 0.00 C ATOM 719 OH TYR A 48 16.406 3.052 -4.958 1.00 0.00 O ATOM 0 H TYR A 48 21.501 6.406 0.515 1.00 0.00 H new ATOM 0 HA TYR A 48 20.713 3.742 -0.369 1.00 0.00 H new ATOM 0 HB2 TYR A 48 19.205 5.786 -0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 48 20.140 6.492 -1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 48 17.729 3.801 -0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 48 19.908 5.730 -3.827 1.00 0.00 H new ATOM 0 HE1 TYR A 48 16.246 2.718 -2.331 1.00 0.00 H new ATOM 0 HE2 TYR A 48 18.421 4.667 -5.503 1.00 0.00 H new ATOM 0 HH TYR A 48 16.575 3.451 -5.837 1.00 0.00 H new ATOM 729 N GLN A 49 23.211 5.143 -1.821 1.00 0.00 N ATOM 730 CA GLN A 49 24.232 4.907 -2.840 1.00 0.00 C ATOM 731 C GLN A 49 24.597 3.416 -2.869 1.00 0.00 C ATOM 732 O GLN A 49 24.719 2.807 -3.934 1.00 0.00 O ATOM 733 CB GLN A 49 25.421 5.810 -2.509 1.00 0.00 C ATOM 734 CG GLN A 49 26.749 5.393 -3.142 1.00 0.00 C ATOM 735 CD GLN A 49 27.882 6.368 -2.828 1.00 0.00 C ATOM 736 OE1 GLN A 49 28.223 6.577 -1.567 1.00 0.00 O flip ATOM 737 NE2 GLN A 49 28.476 6.931 -3.739 1.00 0.00 N flip ATOM 0 H GLN A 49 23.487 5.821 -1.111 1.00 0.00 H new ATOM 0 HA GLN A 49 23.878 5.152 -3.841 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.187 6.825 -2.830 1.00 0.00 H new ATOM 0 HB3 GLN A 49 25.545 5.838 -1.426 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.021 4.399 -2.786 1.00 0.00 H new ATOM 0 HG3 GLN A 49 26.625 5.321 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.203 6.761 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.243 7.570 -3.530 1.00 0.00 H new ATOM 746 N HIS A 50 24.758 2.817 -1.691 1.00 0.00 N ATOM 747 CA HIS A 50 25.013 1.382 -1.595 1.00 0.00 C ATOM 748 C HIS A 50 23.782 0.560 -2.009 1.00 0.00 C ATOM 749 O HIS A 50 23.939 -0.594 -2.398 1.00 0.00 O ATOM 750 CB HIS A 50 25.558 1.006 -0.212 1.00 0.00 C ATOM 751 CG HIS A 50 27.036 1.303 -0.123 1.00 0.00 C ATOM 752 ND1 HIS A 50 27.609 2.537 0.094 1.00 0.00 N ATOM 753 CD2 HIS A 50 28.052 0.427 -0.407 1.00 0.00 C ATOM 754 CE1 HIS A 50 28.935 2.413 -0.055 1.00 0.00 C ATOM 755 NE2 HIS A 50 29.250 1.150 -0.383 1.00 0.00 N ATOM 0 H HIS A 50 24.717 3.300 -0.794 1.00 0.00 H new ATOM 0 HA HIS A 50 25.795 1.127 -2.310 1.00 0.00 H new ATOM 0 HB2 HIS A 50 25.023 1.561 0.559 1.00 0.00 H new ATOM 0 HB3 HIS A 50 25.382 -0.053 -0.022 1.00 0.00 H new ATOM 0 HD1 HIS A 50 27.111 3.396 0.327 1.00 0.00 H new ATOM 0 HD2 HIS A 50 27.947 -0.628 -0.612 1.00 0.00 H new ATOM 0 HE1 HIS A 50 29.648 3.214 0.071 1.00 0.00 H new ATOM 763 N PHE A 51 22.560 1.106 -1.973 1.00 0.00 N ATOM 764 CA PHE A 51 21.358 0.408 -2.449 1.00 0.00 C ATOM 765 C PHE A 51 21.543 0.116 -3.940 1.00 0.00 C ATOM 766 O PHE A 51 21.289 -1.001 -4.390 1.00 0.00 O ATOM 767 CB PHE A 51 20.097 1.263 -2.232 1.00 0.00 C ATOM 768 CG PHE A 51 18.776 0.517 -2.236 1.00 0.00 C ATOM 769 CD1 PHE A 51 18.308 -0.080 -3.421 1.00 0.00 C ATOM 770 CD2 PHE A 51 17.956 0.515 -1.090 1.00 0.00 C ATOM 771 CE1 PHE A 51 17.026 -0.643 -3.478 1.00 0.00 C ATOM 772 CE2 PHE A 51 16.660 -0.029 -1.153 1.00 0.00 C ATOM 773 CZ PHE A 51 16.190 -0.581 -2.357 1.00 0.00 C ATOM 0 H PHE A 51 22.376 2.043 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 51 21.226 -0.517 -1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.195 1.783 -1.279 1.00 0.00 H new ATOM 0 HB3 PHE A 51 20.062 2.026 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 51 18.943 -0.105 -4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 51 18.322 0.931 -0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 51 16.684 -1.123 -4.383 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.027 -0.022 -0.278 1.00 0.00 H new ATOM 0 HZ PHE A 51 15.180 -0.959 -2.418 1.00 0.00 H new ATOM 783 N ILE A 52 22.042 1.108 -4.690 1.00 0.00 N ATOM 784 CA ILE A 52 22.205 1.019 -6.134 1.00 0.00 C ATOM 785 C ILE A 52 23.079 -0.192 -6.470 1.00 0.00 C ATOM 786 O ILE A 52 22.741 -0.984 -7.346 1.00 0.00 O ATOM 787 CB ILE A 52 22.837 2.297 -6.737 1.00 0.00 C ATOM 788 CG1 ILE A 52 22.394 3.645 -6.141 1.00 0.00 C ATOM 789 CG2 ILE A 52 22.538 2.311 -8.241 1.00 0.00 C ATOM 790 CD1 ILE A 52 20.904 3.941 -6.174 1.00 0.00 C ATOM 0 H ILE A 52 22.345 2.001 -4.300 1.00 0.00 H new ATOM 0 HA ILE A 52 21.213 0.910 -6.572 1.00 0.00 H new ATOM 0 HB ILE A 52 23.897 2.226 -6.494 1.00 0.00 H new ATOM 0 HG12 ILE A 52 22.728 3.686 -5.104 1.00 0.00 H new ATOM 0 HG13 ILE A 52 22.913 4.441 -6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 52 22.974 3.203 -8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 52 22.968 1.424 -8.706 1.00 0.00 H new ATOM 0 HG23 ILE A 52 21.459 2.316 -8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 52 20.717 4.917 -5.727 1.00 0.00 H new ATOM 0 HD12 ILE A 52 20.556 3.943 -7.207 1.00 0.00 H new ATOM 0 HD13 ILE A 52 20.368 3.176 -5.612 1.00 0.00 H new ATOM 802 N GLN A 53 24.203 -0.332 -5.761 1.00 0.00 N ATOM 803 CA GLN A 53 25.173 -1.394 -5.992 1.00 0.00 C ATOM 804 C GLN A 53 24.549 -2.774 -5.775 1.00 0.00 C ATOM 805 O GLN A 53 24.860 -3.715 -6.502 1.00 0.00 O ATOM 806 CB GLN A 53 26.352 -1.249 -5.016 1.00 0.00 C ATOM 807 CG GLN A 53 27.154 0.058 -5.124 1.00 0.00 C ATOM 808 CD GLN A 53 28.209 0.123 -4.017 1.00 0.00 C ATOM 809 OE1 GLN A 53 28.835 -0.876 -3.686 1.00 0.00 O ATOM 810 NE2 GLN A 53 28.403 1.278 -3.400 1.00 0.00 N ATOM 0 H GLN A 53 24.463 0.299 -5.003 1.00 0.00 H new ATOM 0 HA GLN A 53 25.512 -1.307 -7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 53 25.970 -1.335 -3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 53 27.033 -2.085 -5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.636 0.118 -6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.482 0.913 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 53 27.875 2.103 -3.685 1.00 0.00 H new ATOM 0 HE22 GLN A 53 29.080 1.343 -2.640 1.00 0.00 H new ATOM 819 N GLN A 54 23.714 -2.895 -4.742 1.00 0.00 N ATOM 820 CA GLN A 54 23.085 -4.131 -4.304 1.00 0.00 C ATOM 821 C GLN A 54 22.024 -4.658 -5.264 1.00 0.00 C ATOM 822 O GLN A 54 21.704 -5.844 -5.177 1.00 0.00 O ATOM 823 CB GLN A 54 22.510 -3.942 -2.896 1.00 0.00 C ATOM 824 CG GLN A 54 23.634 -3.775 -1.865 1.00 0.00 C ATOM 825 CD GLN A 54 23.068 -3.426 -0.499 1.00 0.00 C ATOM 826 OE1 GLN A 54 23.026 -4.259 0.401 1.00 0.00 O ATOM 827 NE2 GLN A 54 22.622 -2.192 -0.340 1.00 0.00 N ATOM 0 H GLN A 54 23.449 -2.096 -4.166 1.00 0.00 H new ATOM 0 HA GLN A 54 23.862 -4.895 -4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 54 21.861 -3.066 -2.878 1.00 0.00 H new ATOM 0 HB3 GLN A 54 21.893 -4.801 -2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.212 -4.696 -1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 54 24.318 -2.992 -2.191 1.00 0.00 H new ATOM 0 HE21 GLN A 54 22.674 -1.527 -1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 54 22.226 -1.904 0.555 1.00 0.00 H new ATOM 836 N CYS A 55 21.416 -3.820 -6.108 1.00 0.00 N ATOM 837 CA CYS A 55 20.461 -4.306 -7.091 1.00 0.00 C ATOM 838 C CYS A 55 21.224 -5.199 -8.076 1.00 0.00 C ATOM 839 O CYS A 55 22.084 -4.713 -8.812 1.00 0.00 O ATOM 840 CB CYS A 55 19.800 -3.110 -7.784 1.00 0.00 C ATOM 841 SG CYS A 55 18.901 -2.129 -6.544 1.00 0.00 S ATOM 0 H CYS A 55 21.570 -2.812 -6.126 1.00 0.00 H new ATOM 0 HA CYS A 55 19.665 -4.892 -6.630 1.00 0.00 H new ATOM 0 HB2 CYS A 55 20.554 -2.496 -8.275 1.00 0.00 H new ATOM 0 HB3 CYS A 55 19.116 -3.455 -8.559 1.00 0.00 H new ATOM 0 HG CYS A 55 19.741 -1.657 -5.672 1.00 0.00 H new ATOM 847 N THR A 56 20.924 -6.497 -8.083 1.00 0.00 N ATOM 848 CA THR A 56 21.563 -7.540 -8.871 1.00 0.00 C ATOM 849 C THR A 56 20.857 -7.745 -10.228 1.00 0.00 C ATOM 850 O THR A 56 20.019 -6.921 -10.589 1.00 0.00 O ATOM 851 CB THR A 56 21.792 -8.744 -7.938 1.00 0.00 C ATOM 852 OG1 THR A 56 20.695 -8.888 -7.061 1.00 0.00 O ATOM 853 CG2 THR A 56 23.045 -8.591 -7.073 1.00 0.00 C ATOM 0 H THR A 56 20.177 -6.869 -7.497 1.00 0.00 H new ATOM 0 HA THR A 56 22.559 -7.277 -9.228 1.00 0.00 H new ATOM 0 HB THR A 56 21.911 -9.613 -8.585 1.00 0.00 H new ATOM 0 HG1 THR A 56 20.964 -9.423 -6.285 1.00 0.00 H new ATOM 0 HG21 THR A 56 23.156 -9.468 -6.436 1.00 0.00 H new ATOM 0 HG22 THR A 56 23.921 -8.495 -7.715 1.00 0.00 H new ATOM 0 HG23 THR A 56 22.952 -7.700 -6.451 1.00 0.00 H new ATOM 861 N ASP A 57 21.234 -8.738 -11.043 1.00 0.00 N ATOM 862 CA ASP A 57 20.677 -8.929 -12.391 1.00 0.00 C ATOM 863 C ASP A 57 19.319 -9.646 -12.458 1.00 0.00 C ATOM 864 O ASP A 57 18.297 -8.992 -12.666 1.00 0.00 O ATOM 865 CB ASP A 57 21.711 -9.579 -13.342 1.00 0.00 C ATOM 866 CG ASP A 57 22.118 -11.012 -12.988 1.00 0.00 C ATOM 867 OD1 ASP A 57 22.630 -11.228 -11.866 1.00 0.00 O ATOM 868 OD2 ASP A 57 21.901 -11.949 -13.791 1.00 0.00 O ATOM 0 H ASP A 57 21.935 -9.434 -10.787 1.00 0.00 H new ATOM 0 HA ASP A 57 20.459 -7.918 -12.736 1.00 0.00 H new ATOM 0 HB2 ASP A 57 21.303 -9.574 -14.353 1.00 0.00 H new ATOM 0 HB3 ASP A 57 22.607 -8.958 -13.357 1.00 0.00 H new ATOM 873 N ASP A 58 19.274 -10.967 -12.282 1.00 0.00 N ATOM 874 CA ASP A 58 18.060 -11.775 -12.424 1.00 0.00 C ATOM 875 C ASP A 58 17.313 -12.045 -11.129 1.00 0.00 C ATOM 876 O ASP A 58 16.110 -12.289 -11.158 1.00 0.00 O ATOM 877 CB ASP A 58 18.463 -13.102 -13.068 1.00 0.00 C ATOM 878 CG ASP A 58 17.305 -14.046 -13.400 1.00 0.00 C ATOM 879 OD1 ASP A 58 16.889 -14.879 -12.560 1.00 0.00 O ATOM 880 OD2 ASP A 58 16.914 -14.093 -14.588 1.00 0.00 O ATOM 0 H ASP A 58 20.096 -11.517 -12.032 1.00 0.00 H new ATOM 0 HA ASP A 58 17.364 -11.202 -13.036 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.012 -12.890 -13.986 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.150 -13.618 -12.398 1.00 0.00 H new ATOM 885 N VAL A 59 17.975 -12.025 -9.974 1.00 0.00 N ATOM 886 CA VAL A 59 17.266 -12.281 -8.745 1.00 0.00 C ATOM 887 C VAL A 59 16.236 -11.177 -8.540 1.00 0.00 C ATOM 888 O VAL A 59 16.441 -10.011 -8.887 1.00 0.00 O ATOM 889 CB VAL A 59 18.249 -12.436 -7.582 1.00 0.00 C ATOM 890 CG1 VAL A 59 19.351 -13.444 -7.907 1.00 0.00 C ATOM 891 CG2 VAL A 59 18.913 -11.135 -7.159 1.00 0.00 C ATOM 0 H VAL A 59 18.973 -11.839 -9.874 1.00 0.00 H new ATOM 0 HA VAL A 59 16.725 -13.226 -8.794 1.00 0.00 H new ATOM 0 HB VAL A 59 17.635 -12.790 -6.754 1.00 0.00 H new ATOM 0 HG11 VAL A 59 20.030 -13.527 -7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 59 18.905 -14.417 -8.112 1.00 0.00 H new ATOM 0 HG13 VAL A 59 19.905 -13.107 -8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 59 19.595 -11.327 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 59 19.470 -10.721 -7.999 1.00 0.00 H new ATOM 0 HG23 VAL A 59 18.150 -10.423 -6.844 1.00 0.00 H new ATOM 901 N ARG A 60 15.138 -11.541 -7.893 1.00 0.00 N ATOM 902 CA ARG A 60 14.045 -10.638 -7.601 1.00 0.00 C ATOM 903 C ARG A 60 14.238 -10.326 -6.124 1.00 0.00 C ATOM 904 O ARG A 60 14.486 -11.228 -5.315 1.00 0.00 O ATOM 905 CB ARG A 60 12.717 -11.304 -8.023 1.00 0.00 C ATOM 906 CG ARG A 60 12.346 -12.520 -7.147 1.00 0.00 C ATOM 907 CD ARG A 60 11.846 -13.745 -7.921 1.00 0.00 C ATOM 908 NE ARG A 60 11.999 -14.961 -7.095 1.00 0.00 N ATOM 909 CZ ARG A 60 13.129 -15.674 -6.952 1.00 0.00 C ATOM 910 NH1 ARG A 60 14.165 -15.519 -7.761 1.00 0.00 N ATOM 911 NH2 ARG A 60 13.215 -16.572 -5.983 1.00 0.00 N ATOM 0 H ARG A 60 14.984 -12.490 -7.552 1.00 0.00 H new ATOM 0 HA ARG A 60 14.021 -9.697 -8.150 1.00 0.00 H new ATOM 0 HB2 ARG A 60 11.915 -10.568 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.791 -11.622 -9.063 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.220 -12.809 -6.563 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.575 -12.217 -6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.800 -13.610 -8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.407 -13.853 -8.849 1.00 0.00 H new ATOM 0 HE ARG A 60 11.175 -15.287 -6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.121 -14.841 -8.522 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.008 -16.077 -7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.427 -16.718 -5.352 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.069 -17.117 -5.868 1.00 0.00 H new ATOM 925 N LEU A 61 14.239 -9.051 -5.772 1.00 0.00 N ATOM 926 CA LEU A 61 14.502 -8.598 -4.413 1.00 0.00 C ATOM 927 C LEU A 61 13.399 -7.642 -4.032 1.00 0.00 C ATOM 928 O LEU A 61 12.682 -7.123 -4.887 1.00 0.00 O ATOM 929 CB LEU A 61 15.913 -7.973 -4.353 1.00 0.00 C ATOM 930 CG LEU A 61 16.394 -7.396 -3.006 1.00 0.00 C ATOM 931 CD1 LEU A 61 16.564 -8.515 -1.973 1.00 0.00 C ATOM 932 CD2 LEU A 61 17.738 -6.684 -3.196 1.00 0.00 C ATOM 0 H LEU A 61 14.055 -8.292 -6.428 1.00 0.00 H new ATOM 0 HA LEU A 61 14.500 -9.415 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.629 -8.734 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 61 15.956 -7.174 -5.093 1.00 0.00 H new ATOM 0 HG LEU A 61 15.646 -6.688 -2.648 1.00 0.00 H new ATOM 0 HD11 LEU A 61 16.904 -8.090 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.609 -9.018 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.300 -9.234 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.073 -6.278 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.477 -7.394 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.621 -5.872 -3.914 1.00 0.00 H new ATOM 944 N PHE A 62 13.235 -7.436 -2.739 1.00 0.00 N ATOM 945 CA PHE A 62 12.273 -6.475 -2.227 1.00 0.00 C ATOM 946 C PHE A 62 13.000 -5.612 -1.208 1.00 0.00 C ATOM 947 O PHE A 62 13.964 -6.072 -0.586 1.00 0.00 O ATOM 948 CB PHE A 62 11.072 -7.185 -1.594 1.00 0.00 C ATOM 949 CG PHE A 62 10.069 -7.867 -2.509 1.00 0.00 C ATOM 950 CD1 PHE A 62 10.414 -8.988 -3.292 1.00 0.00 C ATOM 951 CD2 PHE A 62 8.725 -7.459 -2.453 1.00 0.00 C ATOM 952 CE1 PHE A 62 9.419 -9.719 -3.967 1.00 0.00 C ATOM 953 CE2 PHE A 62 7.732 -8.208 -3.099 1.00 0.00 C ATOM 954 CZ PHE A 62 8.070 -9.348 -3.840 1.00 0.00 C ATOM 0 H PHE A 62 13.761 -7.927 -2.016 1.00 0.00 H new ATOM 0 HA PHE A 62 11.879 -5.859 -3.035 1.00 0.00 H new ATOM 0 HB2 PHE A 62 11.457 -7.937 -0.905 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.531 -6.452 -0.996 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.448 -9.287 -3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 62 8.457 -6.565 -1.910 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.692 -10.564 -4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.698 -7.904 -3.025 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.298 -9.938 -4.311 1.00 0.00 H new ATOM 964 N ALA A 63 12.546 -4.377 -1.005 1.00 0.00 N ATOM 965 CA ALA A 63 13.105 -3.501 -0.001 1.00 0.00 C ATOM 966 C ALA A 63 12.005 -2.749 0.711 1.00 0.00 C ATOM 967 O ALA A 63 10.902 -2.587 0.196 1.00 0.00 O ATOM 968 CB ALA A 63 14.123 -2.555 -0.628 1.00 0.00 C ATOM 0 H ALA A 63 11.780 -3.964 -1.537 1.00 0.00 H new ATOM 0 HA ALA A 63 13.629 -4.101 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.535 -1.902 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.928 -3.134 -1.081 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.635 -1.951 -1.394 1.00 0.00 H new ATOM 974 N PHE A 64 12.337 -2.276 1.900 1.00 0.00 N ATOM 975 CA PHE A 64 11.484 -1.477 2.747 1.00 0.00 C ATOM 976 C PHE A 64 12.351 -0.288 3.119 1.00 0.00 C ATOM 977 O PHE A 64 13.443 -0.466 3.662 1.00 0.00 O ATOM 978 CB PHE A 64 11.062 -2.362 3.921 1.00 0.00 C ATOM 979 CG PHE A 64 10.219 -1.691 4.979 1.00 0.00 C ATOM 980 CD1 PHE A 64 8.942 -1.199 4.654 1.00 0.00 C ATOM 981 CD2 PHE A 64 10.694 -1.594 6.299 1.00 0.00 C ATOM 982 CE1 PHE A 64 8.148 -0.602 5.646 1.00 0.00 C ATOM 983 CE2 PHE A 64 9.908 -0.969 7.281 1.00 0.00 C ATOM 984 CZ PHE A 64 8.644 -0.461 6.950 1.00 0.00 C ATOM 0 H PHE A 64 13.252 -2.450 2.316 1.00 0.00 H new ATOM 0 HA PHE A 64 10.558 -1.113 2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.508 -3.215 3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 64 11.960 -2.757 4.395 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.573 -1.280 3.642 1.00 0.00 H new ATOM 0 HD2 PHE A 64 11.661 -1.999 6.557 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.155 -0.251 5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.278 -0.880 8.292 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.051 0.040 7.701 1.00 0.00 H new ATOM 994 N VAL A 65 11.871 0.916 2.827 1.00 0.00 N ATOM 995 CA VAL A 65 12.635 2.136 3.032 1.00 0.00 C ATOM 996 C VAL A 65 11.741 3.176 3.698 1.00 0.00 C ATOM 997 O VAL A 65 10.574 3.326 3.319 1.00 0.00 O ATOM 998 CB VAL A 65 13.135 2.629 1.651 1.00 0.00 C ATOM 999 CG1 VAL A 65 14.078 3.831 1.745 1.00 0.00 C ATOM 1000 CG2 VAL A 65 13.869 1.529 0.857 1.00 0.00 C ATOM 0 H VAL A 65 10.940 1.071 2.441 1.00 0.00 H new ATOM 0 HA VAL A 65 13.494 1.960 3.680 1.00 0.00 H new ATOM 0 HB VAL A 65 12.222 2.921 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.392 4.127 0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 65 13.561 4.663 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.954 3.561 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.197 1.930 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.736 1.188 1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 65 13.194 0.690 0.688 1.00 0.00 H new ATOM 1010 N ARG A 66 12.272 3.859 4.710 1.00 0.00 N ATOM 1011 CA ARG A 66 11.610 4.955 5.402 1.00 0.00 C ATOM 1012 C ARG A 66 11.819 6.161 4.510 1.00 0.00 C ATOM 1013 O ARG A 66 12.959 6.496 4.199 1.00 0.00 O ATOM 1014 CB ARG A 66 12.202 5.153 6.798 1.00 0.00 C ATOM 1015 CG ARG A 66 11.560 6.340 7.534 1.00 0.00 C ATOM 1016 CD ARG A 66 11.895 6.338 9.029 1.00 0.00 C ATOM 1017 NE ARG A 66 13.340 6.351 9.313 1.00 0.00 N ATOM 1018 CZ ARG A 66 14.100 7.444 9.450 1.00 0.00 C ATOM 1019 NH1 ARG A 66 13.608 8.664 9.211 1.00 0.00 N ATOM 1020 NH2 ARG A 66 15.354 7.338 9.872 1.00 0.00 N ATOM 0 H ARG A 66 13.201 3.657 5.079 1.00 0.00 H new ATOM 0 HA ARG A 66 10.549 4.768 5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.061 4.245 7.384 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.277 5.316 6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.904 7.273 7.087 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.478 6.304 7.405 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.434 7.208 9.496 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.451 5.456 9.490 1.00 0.00 H new ATOM 0 HE ARG A 66 13.802 5.447 9.414 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.637 8.774 8.919 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.204 9.485 9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.742 6.421 10.093 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.930 8.174 9.975 1.00 0.00 H new ATOM 1034 N PHE A 67 10.733 6.809 4.103 1.00 0.00 N ATOM 1035 CA PHE A 67 10.775 7.917 3.171 1.00 0.00 C ATOM 1036 C PHE A 67 9.879 9.043 3.653 1.00 0.00 C ATOM 1037 O PHE A 67 8.675 8.890 3.836 1.00 0.00 O ATOM 1038 CB PHE A 67 10.373 7.355 1.813 1.00 0.00 C ATOM 1039 CG PHE A 67 10.737 8.200 0.621 1.00 0.00 C ATOM 1040 CD1 PHE A 67 10.095 9.429 0.397 1.00 0.00 C ATOM 1041 CD2 PHE A 67 11.729 7.753 -0.271 1.00 0.00 C ATOM 1042 CE1 PHE A 67 10.465 10.229 -0.697 1.00 0.00 C ATOM 1043 CE2 PHE A 67 12.095 8.553 -1.356 1.00 0.00 C ATOM 1044 CZ PHE A 67 11.492 9.801 -1.555 1.00 0.00 C ATOM 0 H PHE A 67 9.792 6.573 4.417 1.00 0.00 H new ATOM 0 HA PHE A 67 11.769 8.358 3.092 1.00 0.00 H new ATOM 0 HB2 PHE A 67 10.835 6.375 1.695 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.294 7.201 1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.315 9.760 1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 67 12.205 6.796 -0.118 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.963 11.168 -0.878 1.00 0.00 H new ATOM 0 HE2 PHE A 67 12.849 8.206 -2.047 1.00 0.00 H new ATOM 0 HZ PHE A 67 11.816 10.434 -2.368 1.00 0.00 H new ATOM 1054 N THR A 68 10.466 10.213 3.800 1.00 0.00 N ATOM 1055 CA THR A 68 9.814 11.397 4.338 1.00 0.00 C ATOM 1056 C THR A 68 9.074 12.182 3.243 1.00 0.00 C ATOM 1057 O THR A 68 9.687 12.628 2.272 1.00 0.00 O ATOM 1058 CB THR A 68 10.902 12.231 5.042 1.00 0.00 C ATOM 1059 OG1 THR A 68 11.622 11.420 5.956 1.00 0.00 O ATOM 1060 CG2 THR A 68 10.353 13.414 5.833 1.00 0.00 C ATOM 0 H THR A 68 11.439 10.375 3.542 1.00 0.00 H new ATOM 0 HA THR A 68 9.041 11.124 5.056 1.00 0.00 H new ATOM 0 HB THR A 68 11.535 12.614 4.241 1.00 0.00 H new ATOM 0 HG1 THR A 68 12.312 11.958 6.397 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.177 13.953 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.816 14.083 5.161 1.00 0.00 H new ATOM 0 HG23 THR A 68 9.673 13.052 6.604 1.00 0.00 H new ATOM 1068 N THR A 69 7.739 12.266 3.289 1.00 0.00 N ATOM 1069 CA THR A 69 6.956 13.077 2.350 1.00 0.00 C ATOM 1070 C THR A 69 5.627 13.394 3.051 1.00 0.00 C ATOM 1071 O THR A 69 5.240 12.700 3.997 1.00 0.00 O ATOM 1072 CB THR A 69 6.676 12.364 1.012 1.00 0.00 C ATOM 1073 OG1 THR A 69 7.772 11.597 0.570 1.00 0.00 O ATOM 1074 CG2 THR A 69 6.391 13.322 -0.150 1.00 0.00 C ATOM 0 H THR A 69 7.171 11.773 3.979 1.00 0.00 H new ATOM 0 HA THR A 69 7.524 13.972 2.097 1.00 0.00 H new ATOM 0 HB THR A 69 5.804 11.752 1.242 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.349 12.148 0.001 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.204 12.748 -1.057 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.515 13.927 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.251 13.973 -0.304 1.00 0.00 H new ATOM 1082 N GLY A 70 4.879 14.342 2.496 1.00 0.00 N ATOM 1083 CA GLY A 70 3.633 14.876 3.000 1.00 0.00 C ATOM 1084 C GLY A 70 4.029 16.187 3.615 1.00 0.00 C ATOM 1085 O GLY A 70 4.756 16.255 4.603 1.00 0.00 O ATOM 0 H GLY A 70 5.154 14.785 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.904 15.013 2.201 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.180 14.210 3.734 1.00 0.00 H new ATOM 1089 N ASP A 71 3.517 17.204 2.970 1.00 0.00 N ATOM 1090 CA ASP A 71 3.793 18.599 3.247 1.00 0.00 C ATOM 1091 C ASP A 71 2.647 19.159 4.082 1.00 0.00 C ATOM 1092 O ASP A 71 1.486 19.076 3.683 1.00 0.00 O ATOM 1093 CB ASP A 71 3.898 19.357 1.901 1.00 0.00 C ATOM 1094 CG ASP A 71 4.610 18.576 0.787 1.00 0.00 C ATOM 1095 OD1 ASP A 71 3.976 17.662 0.202 1.00 0.00 O ATOM 1096 OD2 ASP A 71 5.769 18.865 0.418 1.00 0.00 O ATOM 0 H ASP A 71 2.863 17.080 2.197 1.00 0.00 H new ATOM 0 HA ASP A 71 4.728 18.712 3.795 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.894 19.614 1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.428 20.295 2.067 1.00 0.00 H new ATOM 1101 N ALA A 72 2.930 19.521 5.330 1.00 0.00 N ATOM 1102 CA ALA A 72 2.006 20.169 6.251 1.00 0.00 C ATOM 1103 C ALA A 72 2.817 21.093 7.163 1.00 0.00 C ATOM 1104 O ALA A 72 4.047 21.042 7.143 1.00 0.00 O ATOM 1105 CB ALA A 72 1.212 19.126 7.038 1.00 0.00 C ATOM 0 H ALA A 72 3.849 19.363 5.743 1.00 0.00 H new ATOM 0 HA ALA A 72 1.273 20.764 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.527 19.629 7.721 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.643 18.504 6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.899 18.500 7.608 1.00 0.00 H new ATOM 1111 N MET A 73 2.143 21.813 8.065 1.00 0.00 N ATOM 1112 CA MET A 73 2.782 22.658 9.073 1.00 0.00 C ATOM 1113 C MET A 73 3.462 21.790 10.161 1.00 0.00 C ATOM 1114 O MET A 73 3.820 22.264 11.237 1.00 0.00 O ATOM 1115 CB MET A 73 1.755 23.622 9.701 1.00 0.00 C ATOM 1116 CG MET A 73 1.152 24.630 8.714 1.00 0.00 C ATOM 1117 SD MET A 73 2.376 25.587 7.779 1.00 0.00 S ATOM 1118 CE MET A 73 1.390 27.073 7.429 1.00 0.00 C ATOM 0 H MET A 73 1.124 21.824 8.114 1.00 0.00 H new ATOM 0 HA MET A 73 3.553 23.254 8.585 1.00 0.00 H new ATOM 0 HB2 MET A 73 0.949 23.037 10.144 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.236 24.168 10.513 1.00 0.00 H new ATOM 0 HG2 MET A 73 0.514 24.095 8.011 1.00 0.00 H new ATOM 0 HG3 MET A 73 0.512 25.320 9.264 1.00 0.00 H new ATOM 0 HE1 MET A 73 1.989 27.780 6.855 1.00 0.00 H new ATOM 0 HE2 MET A 73 0.506 26.796 6.855 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.083 27.535 8.367 1.00 0.00 H new ATOM 1128 N SER A 74 3.553 20.471 9.974 1.00 0.00 N ATOM 1129 CA SER A 74 4.223 19.516 10.832 1.00 0.00 C ATOM 1130 C SER A 74 4.802 18.421 9.933 1.00 0.00 C ATOM 1131 O SER A 74 4.247 18.144 8.866 1.00 0.00 O ATOM 1132 CB SER A 74 3.204 18.963 11.822 1.00 0.00 C ATOM 1133 OG SER A 74 2.770 19.986 12.697 1.00 0.00 O ATOM 0 H SER A 74 3.129 20.021 9.162 1.00 0.00 H new ATOM 0 HA SER A 74 5.034 19.967 11.404 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.351 18.548 11.284 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.647 18.148 12.394 1.00 0.00 H new ATOM 0 HG SER A 74 3.170 20.839 12.427 1.00 0.00 H new ATOM 1139 N LYS A 75 5.901 17.781 10.356 1.00 0.00 N ATOM 1140 CA LYS A 75 6.522 16.721 9.559 1.00 0.00 C ATOM 1141 C LYS A 75 5.568 15.537 9.397 1.00 0.00 C ATOM 1142 O LYS A 75 4.691 15.303 10.229 1.00 0.00 O ATOM 1143 CB LYS A 75 7.811 16.181 10.208 1.00 0.00 C ATOM 1144 CG LYS A 75 8.962 17.182 10.392 1.00 0.00 C ATOM 1145 CD LYS A 75 10.316 16.458 10.546 1.00 0.00 C ATOM 1146 CE LYS A 75 10.347 15.472 11.731 1.00 0.00 C ATOM 1147 NZ LYS A 75 11.556 14.609 11.730 1.00 0.00 N ATOM 0 H LYS A 75 6.373 17.979 11.238 1.00 0.00 H new ATOM 0 HA LYS A 75 6.759 17.171 8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.555 15.773 11.186 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.175 15.351 9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.002 17.855 9.535 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.774 17.798 11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.538 15.917 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.104 17.199 10.678 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.307 16.032 12.665 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.457 14.843 11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.525 13.967 12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.584 14.052 10.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.407 15.204 11.790 1.00 0.00 H new ATOM 1161 N ARG A 76 5.803 14.740 8.358 1.00 0.00 N ATOM 1162 CA ARG A 76 5.101 13.503 8.050 1.00 0.00 C ATOM 1163 C ARG A 76 6.177 12.558 7.519 1.00 0.00 C ATOM 1164 O ARG A 76 7.205 13.026 7.023 1.00 0.00 O ATOM 1165 CB ARG A 76 3.984 13.730 7.017 1.00 0.00 C ATOM 1166 CG ARG A 76 2.974 14.816 7.431 1.00 0.00 C ATOM 1167 CD ARG A 76 1.719 14.757 6.548 1.00 0.00 C ATOM 1168 NE ARG A 76 0.745 15.826 6.843 1.00 0.00 N ATOM 1169 CZ ARG A 76 -0.062 15.926 7.911 1.00 0.00 C ATOM 1170 NH1 ARG A 76 0.043 15.068 8.924 1.00 0.00 N ATOM 1171 NH2 ARG A 76 -0.983 16.886 7.961 1.00 0.00 N ATOM 0 H ARG A 76 6.528 14.954 7.673 1.00 0.00 H new ATOM 0 HA ARG A 76 4.601 13.092 8.927 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.433 14.008 6.063 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.452 12.792 6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.696 14.681 8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.436 15.800 7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.016 14.825 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.236 13.789 6.680 1.00 0.00 H new ATOM 0 HE ARG A 76 0.677 16.576 6.155 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.742 14.326 8.893 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.575 15.153 9.731 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.075 17.545 7.188 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.596 16.962 8.772 1.00 0.00 H new ATOM 1185 N SER A 77 5.966 11.252 7.618 1.00 0.00 N ATOM 1186 CA SER A 77 6.913 10.257 7.139 1.00 0.00 C ATOM 1187 C SER A 77 6.083 9.090 6.588 1.00 0.00 C ATOM 1188 O SER A 77 4.882 8.992 6.857 1.00 0.00 O ATOM 1189 CB SER A 77 7.888 9.904 8.281 1.00 0.00 C ATOM 1190 OG SER A 77 9.093 9.346 7.796 1.00 0.00 O ATOM 0 H SER A 77 5.126 10.852 8.036 1.00 0.00 H new ATOM 0 HA SER A 77 7.552 10.606 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.111 10.802 8.858 1.00 0.00 H new ATOM 0 HB3 SER A 77 7.410 9.199 8.961 1.00 0.00 H new ATOM 0 HG SER A 77 9.771 9.367 8.503 1.00 0.00 H new ATOM 1196 N LYS A 78 6.691 8.250 5.755 1.00 0.00 N ATOM 1197 CA LYS A 78 6.072 7.132 5.046 1.00 0.00 C ATOM 1198 C LYS A 78 7.086 6.005 4.928 1.00 0.00 C ATOM 1199 O LYS A 78 8.255 6.162 5.270 1.00 0.00 O ATOM 1200 CB LYS A 78 5.755 7.522 3.589 1.00 0.00 C ATOM 1201 CG LYS A 78 4.793 8.679 3.312 1.00 0.00 C ATOM 1202 CD LYS A 78 5.254 9.441 2.059 1.00 0.00 C ATOM 1203 CE LYS A 78 5.568 8.570 0.822 1.00 0.00 C ATOM 1204 NZ LYS A 78 6.241 9.332 -0.259 1.00 0.00 N ATOM 0 H LYS A 78 7.685 8.335 5.544 1.00 0.00 H new ATOM 0 HA LYS A 78 5.172 6.850 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.700 7.759 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.354 6.638 3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.782 8.298 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.761 9.352 4.169 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.480 10.159 1.788 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.146 10.014 2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.202 7.736 1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 78 4.641 8.144 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.767 8.676 -0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 5.528 9.836 -0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.900 10.019 0.159 1.00 0.00 H new ATOM 1218 N PHE A 79 6.633 4.888 4.365 1.00 0.00 N ATOM 1219 CA PHE A 79 7.454 3.734 4.064 1.00 0.00 C ATOM 1220 C PHE A 79 7.045 3.304 2.665 1.00 0.00 C ATOM 1221 O PHE A 79 5.857 3.378 2.320 1.00 0.00 O ATOM 1222 CB PHE A 79 7.313 2.630 5.111 1.00 0.00 C ATOM 1223 CG PHE A 79 7.467 3.164 6.516 1.00 0.00 C ATOM 1224 CD1 PHE A 79 6.369 3.751 7.180 1.00 0.00 C ATOM 1225 CD2 PHE A 79 8.752 3.264 7.067 1.00 0.00 C ATOM 1226 CE1 PHE A 79 6.568 4.478 8.368 1.00 0.00 C ATOM 1227 CE2 PHE A 79 8.940 3.984 8.252 1.00 0.00 C ATOM 1228 CZ PHE A 79 7.859 4.593 8.908 1.00 0.00 C ATOM 0 H PHE A 79 5.656 4.764 4.101 1.00 0.00 H new ATOM 0 HA PHE A 79 8.517 3.973 4.096 1.00 0.00 H new ATOM 0 HB2 PHE A 79 6.338 2.154 5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 79 8.064 1.860 4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.374 3.642 6.775 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.591 2.789 6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.730 4.946 8.863 1.00 0.00 H new ATOM 0 HE2 PHE A 79 9.933 4.072 8.668 1.00 0.00 H new ATOM 0 HZ PHE A 79 8.019 5.146 9.822 1.00 0.00 H new ATOM 1238 N ALA A 80 8.028 2.906 1.865 1.00 0.00 N ATOM 1239 CA ALA A 80 7.892 2.529 0.470 1.00 0.00 C ATOM 1240 C ALA A 80 8.388 1.093 0.340 1.00 0.00 C ATOM 1241 O ALA A 80 9.532 0.797 0.694 1.00 0.00 O ATOM 1242 CB ALA A 80 8.689 3.527 -0.396 1.00 0.00 C ATOM 0 H ALA A 80 8.991 2.835 2.194 1.00 0.00 H new ATOM 0 HA ALA A 80 6.860 2.568 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.594 3.254 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.297 4.533 -0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.740 3.501 -0.108 1.00 0.00 H new ATOM 1248 N LEU A 81 7.487 0.194 -0.067 1.00 0.00 N ATOM 1249 CA LEU A 81 7.818 -1.201 -0.334 1.00 0.00 C ATOM 1250 C LEU A 81 8.251 -1.233 -1.788 1.00 0.00 C ATOM 1251 O LEU A 81 7.452 -0.978 -2.681 1.00 0.00 O ATOM 1252 CB LEU A 81 6.600 -2.101 -0.069 1.00 0.00 C ATOM 1253 CG LEU A 81 6.769 -3.616 -0.330 1.00 0.00 C ATOM 1254 CD1 LEU A 81 6.473 -4.031 -1.777 1.00 0.00 C ATOM 1255 CD2 LEU A 81 8.124 -4.187 0.096 1.00 0.00 C ATOM 0 H LEU A 81 6.504 0.419 -0.220 1.00 0.00 H new ATOM 0 HA LEU A 81 8.608 -1.578 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.303 -1.969 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.775 -1.742 -0.684 1.00 0.00 H new ATOM 0 HG LEU A 81 6.009 -4.054 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.613 -5.107 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.444 -3.773 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.152 -3.509 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.154 -5.254 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.920 -3.681 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.264 -4.033 1.166 1.00 0.00 H new ATOM 1267 N ILE A 82 9.511 -1.523 -2.042 1.00 0.00 N ATOM 1268 CA ILE A 82 10.088 -1.511 -3.376 1.00 0.00 C ATOM 1269 C ILE A 82 10.240 -2.954 -3.808 1.00 0.00 C ATOM 1270 O ILE A 82 10.564 -3.814 -2.985 1.00 0.00 O ATOM 1271 CB ILE A 82 11.426 -0.756 -3.318 1.00 0.00 C ATOM 1272 CG1 ILE A 82 11.152 0.758 -3.201 1.00 0.00 C ATOM 1273 CG2 ILE A 82 12.373 -1.028 -4.500 1.00 0.00 C ATOM 1274 CD1 ILE A 82 12.088 1.364 -2.163 1.00 0.00 C ATOM 0 H ILE A 82 10.178 -1.779 -1.314 1.00 0.00 H new ATOM 0 HA ILE A 82 9.462 -0.998 -4.107 1.00 0.00 H new ATOM 0 HB ILE A 82 11.947 -1.134 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 82 11.301 1.241 -4.167 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.114 0.930 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 82 13.290 -0.452 -4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.614 -2.090 -4.536 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.887 -0.734 -5.430 1.00 0.00 H new ATOM 0 HD11 ILE A 82 11.895 2.434 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 82 11.917 0.888 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 82 13.122 1.204 -2.468 1.00 0.00 H new ATOM 1286 N THR A 83 10.013 -3.222 -5.090 1.00 0.00 N ATOM 1287 CA THR A 83 10.217 -4.547 -5.647 1.00 0.00 C ATOM 1288 C THR A 83 11.193 -4.380 -6.812 1.00 0.00 C ATOM 1289 O THR A 83 10.941 -3.582 -7.716 1.00 0.00 O ATOM 1290 CB THR A 83 8.876 -5.158 -6.082 1.00 0.00 C ATOM 1291 OG1 THR A 83 7.842 -4.841 -5.165 1.00 0.00 O ATOM 1292 CG2 THR A 83 9.010 -6.682 -6.111 1.00 0.00 C ATOM 0 H THR A 83 9.685 -2.530 -5.764 1.00 0.00 H new ATOM 0 HA THR A 83 10.632 -5.239 -4.914 1.00 0.00 H new ATOM 0 HB THR A 83 8.627 -4.754 -7.063 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.687 -5.604 -4.570 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.063 -7.125 -6.419 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.790 -6.965 -6.818 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.273 -7.043 -5.117 1.00 0.00 H new ATOM 1300 N TRP A 84 12.305 -5.105 -6.766 1.00 0.00 N ATOM 1301 CA TRP A 84 13.320 -5.165 -7.798 1.00 0.00 C ATOM 1302 C TRP A 84 13.017 -6.398 -8.640 1.00 0.00 C ATOM 1303 O TRP A 84 12.939 -7.507 -8.097 1.00 0.00 O ATOM 1304 CB TRP A 84 14.706 -5.301 -7.152 1.00 0.00 C ATOM 1305 CG TRP A 84 15.776 -5.634 -8.142 1.00 0.00 C ATOM 1306 CD1 TRP A 84 16.377 -6.834 -8.316 1.00 0.00 C ATOM 1307 CD2 TRP A 84 16.260 -4.786 -9.215 1.00 0.00 C ATOM 1308 NE1 TRP A 84 17.168 -6.799 -9.448 1.00 0.00 N ATOM 1309 CE2 TRP A 84 17.085 -5.566 -10.076 1.00 0.00 C ATOM 1310 CE3 TRP A 84 16.029 -3.441 -9.561 1.00 0.00 C ATOM 1311 CZ2 TRP A 84 17.597 -5.037 -11.271 1.00 0.00 C ATOM 1312 CZ3 TRP A 84 16.568 -2.890 -10.733 1.00 0.00 C ATOM 1313 CH2 TRP A 84 17.329 -3.695 -11.603 1.00 0.00 C ATOM 0 H TRP A 84 12.529 -5.695 -5.965 1.00 0.00 H new ATOM 0 HA TRP A 84 13.316 -4.263 -8.410 1.00 0.00 H new ATOM 0 HB2 TRP A 84 14.960 -4.368 -6.649 1.00 0.00 H new ATOM 0 HB3 TRP A 84 14.671 -6.077 -6.387 1.00 0.00 H new ATOM 0 HD1 TRP A 84 16.256 -7.690 -7.668 1.00 0.00 H new ATOM 0 HE1 TRP A 84 17.738 -7.578 -9.778 1.00 0.00 H new ATOM 0 HE3 TRP A 84 15.426 -2.823 -8.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 18.191 -5.653 -11.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 16.400 -1.849 -10.968 1.00 0.00 H new ATOM 0 HH2 TRP A 84 17.708 -3.282 -12.526 1.00 0.00 H new ATOM 1324 N ILE A 85 12.847 -6.216 -9.950 1.00 0.00 N ATOM 1325 CA ILE A 85 12.619 -7.287 -10.908 1.00 0.00 C ATOM 1326 C ILE A 85 13.367 -6.873 -12.184 1.00 0.00 C ATOM 1327 O ILE A 85 12.840 -6.059 -12.939 1.00 0.00 O ATOM 1328 CB ILE A 85 11.120 -7.563 -11.155 1.00 0.00 C ATOM 1329 CG1 ILE A 85 10.275 -7.485 -9.869 1.00 0.00 C ATOM 1330 CG2 ILE A 85 11.005 -8.964 -11.783 1.00 0.00 C ATOM 1331 CD1 ILE A 85 8.821 -7.826 -10.141 1.00 0.00 C ATOM 0 H ILE A 85 12.865 -5.292 -10.381 1.00 0.00 H new ATOM 0 HA ILE A 85 12.995 -8.236 -10.526 1.00 0.00 H new ATOM 0 HB ILE A 85 10.727 -6.793 -11.819 1.00 0.00 H new ATOM 0 HG12 ILE A 85 10.678 -8.171 -9.125 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.343 -6.482 -9.448 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.956 -9.193 -11.972 1.00 0.00 H new ATOM 0 HG22 ILE A 85 11.556 -8.988 -12.723 1.00 0.00 H new ATOM 0 HG23 ILE A 85 11.421 -9.704 -11.100 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.252 -7.762 -9.213 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.412 -7.123 -10.867 1.00 0.00 H new ATOM 0 HD13 ILE A 85 8.753 -8.839 -10.539 1.00 0.00 H new ATOM 1343 N GLY A 86 14.589 -7.358 -12.425 1.00 0.00 N ATOM 1344 CA GLY A 86 15.341 -7.010 -13.636 1.00 0.00 C ATOM 1345 C GLY A 86 14.607 -7.440 -14.916 1.00 0.00 C ATOM 1346 O GLY A 86 13.632 -8.193 -14.870 1.00 0.00 O ATOM 0 H GLY A 86 15.080 -7.994 -11.796 1.00 0.00 H new ATOM 0 HA2 GLY A 86 15.510 -5.934 -13.660 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.321 -7.486 -13.603 1.00 0.00 H new ATOM 1350 N GLU A 87 15.062 -7.011 -16.092 1.00 0.00 N ATOM 1351 CA GLU A 87 14.413 -7.387 -17.352 1.00 0.00 C ATOM 1352 C GLU A 87 14.794 -8.833 -17.730 1.00 0.00 C ATOM 1353 O GLU A 87 14.067 -9.496 -18.473 1.00 0.00 O ATOM 1354 CB GLU A 87 14.819 -6.383 -18.444 1.00 0.00 C ATOM 1355 CG GLU A 87 13.881 -6.274 -19.662 1.00 0.00 C ATOM 1356 CD GLU A 87 13.711 -7.521 -20.535 1.00 0.00 C ATOM 1357 OE1 GLU A 87 14.717 -8.086 -21.015 1.00 0.00 O ATOM 1358 OE2 GLU A 87 12.539 -7.897 -20.792 1.00 0.00 O ATOM 0 H GLU A 87 15.875 -6.405 -16.201 1.00 0.00 H new ATOM 0 HA GLU A 87 13.329 -7.355 -17.243 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.901 -5.397 -17.987 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.813 -6.652 -18.802 1.00 0.00 H new ATOM 0 HG2 GLU A 87 12.896 -5.978 -19.303 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.245 -5.466 -20.296 1.00 0.00 H new ATOM 1365 N ASN A 88 15.796 -9.423 -17.066 1.00 0.00 N ATOM 1366 CA ASN A 88 16.318 -10.748 -17.404 1.00 0.00 C ATOM 1367 C ASN A 88 15.493 -11.873 -16.793 1.00 0.00 C ATOM 1368 O ASN A 88 15.411 -12.955 -17.376 1.00 0.00 O ATOM 1369 CB ASN A 88 17.727 -10.897 -16.804 1.00 0.00 C ATOM 1370 CG ASN A 88 18.758 -10.032 -17.501 1.00 0.00 C ATOM 1371 OD1 ASN A 88 18.826 -8.833 -17.255 1.00 0.00 O ATOM 1372 ND2 ASN A 88 19.565 -10.605 -18.373 1.00 0.00 N ATOM 0 H ASN A 88 16.269 -8.989 -16.273 1.00 0.00 H new ATOM 0 HA ASN A 88 16.299 -10.822 -18.491 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.696 -10.636 -15.746 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.034 -11.941 -16.865 1.00 0.00 H new ATOM 0 HD21 ASN A 88 20.267 -10.048 -18.861 1.00 0.00 H new ATOM 0 HD22 ASN A 88 19.487 -11.605 -18.559 1.00 0.00 H new ATOM 1379 N VAL A 89 14.870 -11.633 -15.645 1.00 0.00 N ATOM 1380 CA VAL A 89 14.061 -12.613 -14.960 1.00 0.00 C ATOM 1381 C VAL A 89 12.804 -12.962 -15.749 1.00 0.00 C ATOM 1382 O VAL A 89 12.023 -12.092 -16.136 1.00 0.00 O ATOM 1383 CB VAL A 89 13.867 -12.170 -13.508 1.00 0.00 C ATOM 1384 CG1 VAL A 89 13.656 -10.681 -13.264 1.00 0.00 C ATOM 1385 CG2 VAL A 89 12.746 -12.923 -12.805 1.00 0.00 C ATOM 0 H VAL A 89 14.919 -10.735 -15.163 1.00 0.00 H new ATOM 0 HA VAL A 89 14.570 -13.575 -14.904 1.00 0.00 H new ATOM 0 HB VAL A 89 14.839 -12.421 -13.083 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.532 -10.501 -12.196 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.521 -10.127 -13.627 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.764 -10.348 -13.794 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.656 -12.566 -11.779 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.807 -12.753 -13.332 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.972 -13.989 -12.800 1.00 0.00 H new ATOM 1395 N SER A 90 12.632 -14.260 -15.999 1.00 0.00 N ATOM 1396 CA SER A 90 11.491 -14.818 -16.697 1.00 0.00 C ATOM 1397 C SER A 90 10.203 -14.602 -15.890 1.00 0.00 C ATOM 1398 O SER A 90 10.196 -14.615 -14.651 1.00 0.00 O ATOM 1399 CB SER A 90 11.784 -16.305 -16.931 1.00 0.00 C ATOM 1400 OG SER A 90 10.841 -16.925 -17.779 1.00 0.00 O ATOM 0 H SER A 90 13.308 -14.967 -15.710 1.00 0.00 H new ATOM 0 HA SER A 90 11.335 -14.321 -17.654 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.779 -16.410 -17.364 1.00 0.00 H new ATOM 0 HB3 SER A 90 11.798 -16.823 -15.972 1.00 0.00 H new ATOM 0 HG SER A 90 11.076 -17.869 -17.895 1.00 0.00 H new ATOM 1406 N GLY A 91 9.082 -14.484 -16.603 1.00 0.00 N ATOM 1407 CA GLY A 91 7.758 -14.252 -16.054 1.00 0.00 C ATOM 1408 C GLY A 91 7.312 -15.307 -15.053 1.00 0.00 C ATOM 1409 O GLY A 91 6.546 -14.975 -14.147 1.00 0.00 O ATOM 0 H GLY A 91 9.079 -14.551 -17.621 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.742 -13.276 -15.569 1.00 0.00 H new ATOM 0 HA3 GLY A 91 7.038 -14.214 -16.872 1.00 0.00 H new ATOM 1413 N LEU A 92 7.795 -16.548 -15.158 1.00 0.00 N ATOM 1414 CA LEU A 92 7.481 -17.598 -14.191 1.00 0.00 C ATOM 1415 C LEU A 92 7.934 -17.179 -12.787 1.00 0.00 C ATOM 1416 O LEU A 92 7.234 -17.442 -11.810 1.00 0.00 O ATOM 1417 CB LEU A 92 8.081 -18.939 -14.649 1.00 0.00 C ATOM 1418 CG LEU A 92 7.554 -20.134 -13.821 1.00 0.00 C ATOM 1419 CD1 LEU A 92 7.335 -21.352 -14.727 1.00 0.00 C ATOM 1420 CD2 LEU A 92 8.513 -20.529 -12.689 1.00 0.00 C ATOM 0 H LEU A 92 8.411 -16.850 -15.912 1.00 0.00 H new ATOM 0 HA LEU A 92 6.402 -17.742 -14.139 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.847 -19.098 -15.702 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.167 -18.895 -14.567 1.00 0.00 H new ATOM 0 HG LEU A 92 6.612 -19.815 -13.376 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.964 -22.186 -14.132 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.606 -21.105 -15.499 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.279 -21.632 -15.195 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.097 -21.372 -12.138 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.477 -20.811 -13.111 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.646 -19.684 -12.013 1.00 0.00 H new ATOM 1432 N GLN A 93 9.075 -16.493 -12.659 1.00 0.00 N ATOM 1433 CA GLN A 93 9.515 -15.979 -11.368 1.00 0.00 C ATOM 1434 C GLN A 93 8.652 -14.776 -10.989 1.00 0.00 C ATOM 1435 O GLN A 93 8.218 -14.665 -9.844 1.00 0.00 O ATOM 1436 CB GLN A 93 10.957 -15.496 -11.414 1.00 0.00 C ATOM 1437 CG GLN A 93 12.032 -16.567 -11.623 1.00 0.00 C ATOM 1438 CD GLN A 93 13.408 -15.929 -11.437 1.00 0.00 C ATOM 1439 OE1 GLN A 93 13.663 -15.333 -10.400 1.00 0.00 O ATOM 1440 NE2 GLN A 93 14.286 -15.979 -12.421 1.00 0.00 N ATOM 0 H GLN A 93 9.705 -16.284 -13.434 1.00 0.00 H new ATOM 0 HA GLN A 93 9.427 -16.791 -10.646 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.046 -14.763 -12.216 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.172 -14.975 -10.481 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.895 -17.382 -10.913 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.947 -16.997 -12.621 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.061 -16.480 -13.281 1.00 0.00 H new ATOM 0 HE22 GLN A 93 15.190 -15.517 -12.322 1.00 0.00 H new ATOM 1449 N ARG A 94 8.386 -13.869 -11.938 1.00 0.00 N ATOM 1450 CA ARG A 94 7.530 -12.707 -11.693 1.00 0.00 C ATOM 1451 C ARG A 94 6.144 -13.157 -11.210 1.00 0.00 C ATOM 1452 O ARG A 94 5.508 -12.418 -10.463 1.00 0.00 O ATOM 1453 CB ARG A 94 7.447 -11.835 -12.959 1.00 0.00 C ATOM 1454 CG ARG A 94 6.879 -10.427 -12.693 1.00 0.00 C ATOM 1455 CD ARG A 94 5.963 -9.943 -13.822 1.00 0.00 C ATOM 1456 NE ARG A 94 6.687 -9.666 -15.064 1.00 0.00 N ATOM 1457 CZ ARG A 94 6.632 -10.333 -16.222 1.00 0.00 C ATOM 1458 NH1 ARG A 94 5.937 -11.457 -16.373 1.00 0.00 N ATOM 1459 NH2 ARG A 94 7.292 -9.855 -17.257 1.00 0.00 N ATOM 0 H ARG A 94 8.755 -13.921 -12.887 1.00 0.00 H new ATOM 0 HA ARG A 94 7.966 -12.097 -10.902 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.442 -11.742 -13.393 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.823 -12.338 -13.698 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.323 -10.434 -11.756 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.702 -9.723 -12.570 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.200 -10.698 -14.013 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.445 -9.040 -13.500 1.00 0.00 H new ATOM 0 HE ARG A 94 7.314 -8.861 -15.044 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.417 -11.844 -15.586 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.924 -11.931 -17.276 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.830 -8.993 -17.165 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.265 -10.346 -18.150 1.00 0.00 H new ATOM 1473 N ALA A 95 5.662 -14.343 -11.598 1.00 0.00 N ATOM 1474 CA ALA A 95 4.397 -14.898 -11.130 1.00 0.00 C ATOM 1475 C ALA A 95 4.452 -15.101 -9.615 1.00 0.00 C ATOM 1476 O ALA A 95 3.512 -14.726 -8.917 1.00 0.00 O ATOM 1477 CB ALA A 95 4.074 -16.203 -11.863 1.00 0.00 C ATOM 0 H ALA A 95 6.151 -14.950 -12.256 1.00 0.00 H new ATOM 0 HA ALA A 95 3.593 -14.196 -11.352 1.00 0.00 H new ATOM 0 HB1 ALA A 95 3.126 -16.600 -11.499 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.999 -16.010 -12.933 1.00 0.00 H new ATOM 0 HB3 ALA A 95 4.866 -16.929 -11.680 1.00 0.00 H new ATOM 1483 N LYS A 96 5.560 -15.649 -9.093 1.00 0.00 N ATOM 1484 CA LYS A 96 5.747 -15.795 -7.650 1.00 0.00 C ATOM 1485 C LYS A 96 5.677 -14.422 -7.020 1.00 0.00 C ATOM 1486 O LYS A 96 4.812 -14.219 -6.180 1.00 0.00 O ATOM 1487 CB LYS A 96 7.083 -16.458 -7.266 1.00 0.00 C ATOM 1488 CG LYS A 96 7.135 -17.979 -7.353 1.00 0.00 C ATOM 1489 CD LYS A 96 7.267 -18.493 -8.793 1.00 0.00 C ATOM 1490 CE LYS A 96 7.515 -20.003 -8.878 1.00 0.00 C ATOM 1491 NZ LYS A 96 8.705 -20.433 -8.114 1.00 0.00 N ATOM 0 H LYS A 96 6.338 -15.997 -9.653 1.00 0.00 H new ATOM 0 HA LYS A 96 4.958 -16.452 -7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.863 -16.052 -7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.328 -16.166 -6.245 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.978 -18.342 -6.765 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.232 -18.394 -6.906 1.00 0.00 H new ATOM 0 HD2 LYS A 96 6.358 -18.250 -9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 96 8.087 -17.969 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.638 -20.532 -8.504 1.00 0.00 H new ATOM 0 HE3 LYS A 96 7.637 -20.288 -9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.964 -21.401 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.498 -19.791 -8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.491 -20.410 -7.096 1.00 0.00 H new ATOM 1505 N THR A 97 6.495 -13.475 -7.476 1.00 0.00 N ATOM 1506 CA THR A 97 6.511 -12.107 -6.979 1.00 0.00 C ATOM 1507 C THR A 97 5.088 -11.530 -6.975 1.00 0.00 C ATOM 1508 O THR A 97 4.685 -10.878 -6.011 1.00 0.00 O ATOM 1509 CB THR A 97 7.480 -11.307 -7.869 1.00 0.00 C ATOM 1510 OG1 THR A 97 8.753 -11.927 -7.869 1.00 0.00 O ATOM 1511 CG2 THR A 97 7.655 -9.855 -7.436 1.00 0.00 C ATOM 0 H THR A 97 7.177 -13.644 -8.215 1.00 0.00 H new ATOM 0 HA THR A 97 6.858 -12.057 -5.947 1.00 0.00 H new ATOM 0 HB THR A 97 7.036 -11.301 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.366 -11.416 -8.438 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.351 -9.356 -8.110 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.691 -9.347 -7.469 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.048 -9.823 -6.420 1.00 0.00 H new ATOM 1519 N GLY A 98 4.294 -11.829 -8.007 1.00 0.00 N ATOM 1520 CA GLY A 98 2.941 -11.322 -8.141 1.00 0.00 C ATOM 1521 C GLY A 98 1.971 -11.878 -7.103 1.00 0.00 C ATOM 1522 O GLY A 98 1.040 -11.163 -6.723 1.00 0.00 O ATOM 0 H GLY A 98 4.582 -12.435 -8.775 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.960 -10.235 -8.061 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.570 -11.562 -9.137 1.00 0.00 H new ATOM 1526 N THR A 99 2.233 -13.070 -6.577 1.00 0.00 N ATOM 1527 CA THR A 99 1.460 -13.724 -5.523 1.00 0.00 C ATOM 1528 C THR A 99 2.204 -13.663 -4.174 1.00 0.00 C ATOM 1529 O THR A 99 1.664 -14.079 -3.153 1.00 0.00 O ATOM 1530 CB THR A 99 1.087 -15.139 -6.014 1.00 0.00 C ATOM 1531 OG1 THR A 99 0.258 -15.023 -7.155 1.00 0.00 O ATOM 1532 CG2 THR A 99 0.295 -16.005 -5.032 1.00 0.00 C ATOM 0 H THR A 99 3.025 -13.633 -6.887 1.00 0.00 H new ATOM 0 HA THR A 99 0.524 -13.202 -5.323 1.00 0.00 H new ATOM 0 HB THR A 99 2.049 -15.622 -6.185 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.017 -15.917 -7.476 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.091 -16.975 -5.485 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.876 -16.146 -4.120 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.647 -15.512 -4.790 1.00 0.00 H new ATOM 1540 N ASP A 100 3.397 -13.065 -4.131 1.00 0.00 N ATOM 1541 CA ASP A 100 4.220 -12.934 -2.934 1.00 0.00 C ATOM 1542 C ASP A 100 4.139 -11.515 -2.398 1.00 0.00 C ATOM 1543 O ASP A 100 4.333 -11.319 -1.202 1.00 0.00 O ATOM 1544 CB ASP A 100 5.690 -13.248 -3.217 1.00 0.00 C ATOM 1545 CG ASP A 100 6.009 -14.733 -3.258 1.00 0.00 C ATOM 1546 OD1 ASP A 100 5.550 -15.501 -2.382 1.00 0.00 O ATOM 1547 OD2 ASP A 100 6.781 -15.160 -4.144 1.00 0.00 O ATOM 0 H ASP A 100 3.827 -12.647 -4.956 1.00 0.00 H new ATOM 0 HA ASP A 100 3.836 -13.648 -2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.969 -12.801 -4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.305 -12.776 -2.451 1.00 0.00 H new ATOM 1552 N LYS A 101 3.818 -10.508 -3.221 1.00 0.00 N ATOM 1553 CA LYS A 101 3.639 -9.148 -2.712 1.00 0.00 C ATOM 1554 C LYS A 101 2.656 -9.112 -1.550 1.00 0.00 C ATOM 1555 O LYS A 101 2.910 -8.397 -0.593 1.00 0.00 O ATOM 1556 CB LYS A 101 3.230 -8.169 -3.814 1.00 0.00 C ATOM 1557 CG LYS A 101 4.421 -7.673 -4.636 1.00 0.00 C ATOM 1558 CD LYS A 101 3.948 -6.744 -5.752 1.00 0.00 C ATOM 1559 CE LYS A 101 5.027 -5.703 -6.053 1.00 0.00 C ATOM 1560 NZ LYS A 101 4.444 -4.539 -6.737 1.00 0.00 N ATOM 0 H LYS A 101 3.679 -10.609 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 101 4.609 -8.822 -2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.513 -8.654 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 101 2.723 -7.315 -3.365 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.123 -7.147 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.955 -8.522 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.727 -7.322 -6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.023 -6.248 -5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.503 -5.386 -5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.804 -6.146 -6.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.088 -3.727 -6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.303 -4.762 -7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.529 -4.304 -6.303 1.00 0.00 H new ATOM 1574 N THR A 102 1.586 -9.904 -1.583 1.00 0.00 N ATOM 1575 CA THR A 102 0.628 -10.018 -0.490 1.00 0.00 C ATOM 1576 C THR A 102 1.344 -10.436 0.811 1.00 0.00 C ATOM 1577 O THR A 102 1.068 -9.878 1.866 1.00 0.00 O ATOM 1578 CB THR A 102 -0.470 -11.005 -0.943 1.00 0.00 C ATOM 1579 OG1 THR A 102 -1.613 -11.027 -0.117 1.00 0.00 O ATOM 1580 CG2 THR A 102 0.049 -12.440 -1.008 1.00 0.00 C ATOM 0 H THR A 102 1.358 -10.493 -2.384 1.00 0.00 H new ATOM 0 HA THR A 102 0.157 -9.062 -0.261 1.00 0.00 H new ATOM 0 HB THR A 102 -0.753 -10.633 -1.928 1.00 0.00 H new ATOM 0 HG1 THR A 102 -2.260 -11.673 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.754 -13.103 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.874 -12.497 -1.718 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.398 -12.746 -0.022 1.00 0.00 H new ATOM 1588 N LEU A 103 2.294 -11.378 0.742 1.00 0.00 N ATOM 1589 CA LEU A 103 3.013 -11.950 1.873 1.00 0.00 C ATOM 1590 C LEU A 103 3.839 -10.876 2.548 1.00 0.00 C ATOM 1591 O LEU A 103 3.591 -10.540 3.700 1.00 0.00 O ATOM 1592 CB LEU A 103 3.896 -13.112 1.417 1.00 0.00 C ATOM 1593 CG LEU A 103 3.113 -14.362 0.999 1.00 0.00 C ATOM 1594 CD1 LEU A 103 4.120 -15.474 0.764 1.00 0.00 C ATOM 1595 CD2 LEU A 103 2.086 -14.865 2.026 1.00 0.00 C ATOM 0 H LEU A 103 2.591 -11.776 -0.149 1.00 0.00 H new ATOM 0 HA LEU A 103 2.293 -12.341 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.509 -12.782 0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.578 -13.376 2.225 1.00 0.00 H new ATOM 0 HG LEU A 103 2.542 -14.086 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.596 -16.382 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.812 -15.177 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.675 -15.662 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.586 -15.752 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.595 -15.115 2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 103 1.348 -14.085 2.214 1.00 0.00 H new ATOM 1607 N VAL A 104 4.830 -10.333 1.850 1.00 0.00 N ATOM 1608 CA VAL A 104 5.611 -9.226 2.397 1.00 0.00 C ATOM 1609 C VAL A 104 4.691 -8.051 2.751 1.00 0.00 C ATOM 1610 O VAL A 104 4.977 -7.374 3.738 1.00 0.00 O ATOM 1611 CB VAL A 104 6.812 -8.869 1.491 1.00 0.00 C ATOM 1612 CG1 VAL A 104 6.511 -8.944 -0.007 1.00 0.00 C ATOM 1613 CG2 VAL A 104 7.407 -7.486 1.801 1.00 0.00 C ATOM 0 H VAL A 104 5.110 -10.635 0.917 1.00 0.00 H new ATOM 0 HA VAL A 104 6.071 -9.534 3.336 1.00 0.00 H new ATOM 0 HB VAL A 104 7.543 -9.642 1.730 1.00 0.00 H new ATOM 0 HG11 VAL A 104 7.405 -8.679 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 104 6.205 -9.958 -0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.708 -8.249 -0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 104 8.246 -7.293 1.133 1.00 0.00 H new ATOM 0 HG22 VAL A 104 6.644 -6.721 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 104 7.753 -7.462 2.834 1.00 0.00 H new ATOM 1623 N LYS A 105 3.566 -7.827 2.055 1.00 0.00 N ATOM 1624 CA LYS A 105 2.666 -6.745 2.445 1.00 0.00 C ATOM 1625 C LYS A 105 2.056 -7.026 3.816 1.00 0.00 C ATOM 1626 O LYS A 105 1.822 -6.070 4.541 1.00 0.00 O ATOM 1627 CB LYS A 105 1.638 -6.452 1.343 1.00 0.00 C ATOM 1628 CG LYS A 105 0.747 -5.236 1.648 1.00 0.00 C ATOM 1629 CD LYS A 105 -0.610 -5.631 2.247 1.00 0.00 C ATOM 1630 CE LYS A 105 -1.497 -6.315 1.199 1.00 0.00 C ATOM 1631 NZ LYS A 105 -2.106 -5.349 0.265 1.00 0.00 N ATOM 0 H LYS A 105 3.268 -8.367 1.242 1.00 0.00 H new ATOM 0 HA LYS A 105 3.235 -5.822 2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 105 2.163 -6.282 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 105 1.007 -7.330 1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 105 1.267 -4.575 2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 105 0.584 -4.671 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.457 -6.302 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.114 -4.744 2.631 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.902 -7.035 0.637 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.284 -6.876 1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -2.696 -5.857 -0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.695 -4.677 0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -1.356 -4.831 -0.236 1.00 0.00 H new ATOM 1645 N GLU A 106 1.823 -8.277 4.225 1.00 0.00 N ATOM 1646 CA GLU A 106 1.333 -8.575 5.562 1.00 0.00 C ATOM 1647 C GLU A 106 2.333 -8.160 6.644 1.00 0.00 C ATOM 1648 O GLU A 106 1.932 -7.988 7.796 1.00 0.00 O ATOM 1649 CB GLU A 106 0.986 -10.059 5.665 1.00 0.00 C ATOM 1650 CG GLU A 106 -0.281 -10.357 4.867 1.00 0.00 C ATOM 1651 CD GLU A 106 -1.515 -9.909 5.645 1.00 0.00 C ATOM 1652 OE1 GLU A 106 -1.949 -10.625 6.581 1.00 0.00 O ATOM 1653 OE2 GLU A 106 -2.019 -8.800 5.365 1.00 0.00 O ATOM 0 H GLU A 106 1.969 -9.100 3.640 1.00 0.00 H new ATOM 0 HA GLU A 106 0.430 -7.989 5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.813 -10.661 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 106 0.841 -10.335 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.243 -9.844 3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.343 -11.425 4.656 1.00 0.00 H new ATOM 1660 N VAL A 107 3.624 -8.058 6.326 1.00 0.00 N ATOM 1661 CA VAL A 107 4.635 -7.572 7.258 1.00 0.00 C ATOM 1662 C VAL A 107 4.626 -6.045 7.139 1.00 0.00 C ATOM 1663 O VAL A 107 4.444 -5.322 8.120 1.00 0.00 O ATOM 1664 CB VAL A 107 6.020 -8.178 6.934 1.00 0.00 C ATOM 1665 CG1 VAL A 107 7.120 -7.573 7.823 1.00 0.00 C ATOM 1666 CG2 VAL A 107 6.025 -9.702 7.118 1.00 0.00 C ATOM 0 H VAL A 107 3.996 -8.312 5.411 1.00 0.00 H new ATOM 0 HA VAL A 107 4.417 -7.873 8.283 1.00 0.00 H new ATOM 0 HB VAL A 107 6.224 -7.939 5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.081 -8.021 7.569 1.00 0.00 H new ATOM 0 HG12 VAL A 107 7.168 -6.496 7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 107 6.892 -7.772 8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 107 7.014 -10.094 6.882 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.776 -9.945 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.288 -10.151 6.452 1.00 0.00 H new ATOM 1676 N VAL A 108 4.778 -5.561 5.913 1.00 0.00 N ATOM 1677 CA VAL A 108 4.897 -4.173 5.509 1.00 0.00 C ATOM 1678 C VAL A 108 3.529 -3.459 5.484 1.00 0.00 C ATOM 1679 O VAL A 108 3.376 -2.464 4.788 1.00 0.00 O ATOM 1680 CB VAL A 108 5.732 -4.153 4.197 1.00 0.00 C ATOM 1681 CG1 VAL A 108 6.015 -2.757 3.632 1.00 0.00 C ATOM 1682 CG2 VAL A 108 7.117 -4.792 4.445 1.00 0.00 C ATOM 0 H VAL A 108 4.825 -6.187 5.109 1.00 0.00 H new ATOM 0 HA VAL A 108 5.438 -3.569 6.238 1.00 0.00 H new ATOM 0 HB VAL A 108 5.119 -4.699 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.602 -2.847 2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 108 5.073 -2.256 3.410 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.572 -2.174 4.365 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.696 -4.775 3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.645 -4.229 5.215 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.988 -5.823 4.773 1.00 0.00 H new ATOM 1692 N GLN A 109 2.526 -3.894 6.265 1.00 0.00 N ATOM 1693 CA GLN A 109 1.235 -3.189 6.344 1.00 0.00 C ATOM 1694 C GLN A 109 1.459 -1.739 6.801 1.00 0.00 C ATOM 1695 O GLN A 109 0.666 -0.849 6.502 1.00 0.00 O ATOM 1696 CB GLN A 109 0.255 -3.898 7.295 1.00 0.00 C ATOM 1697 CG GLN A 109 -0.123 -5.322 6.861 1.00 0.00 C ATOM 1698 CD GLN A 109 -1.130 -5.976 7.806 1.00 0.00 C ATOM 1699 OE1 GLN A 109 -1.172 -5.695 8.998 1.00 0.00 O ATOM 1700 NE2 GLN A 109 -1.972 -6.883 7.332 1.00 0.00 N ATOM 0 H GLN A 109 2.584 -4.728 6.849 1.00 0.00 H new ATOM 0 HA GLN A 109 0.790 -3.194 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.697 -3.939 8.290 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -0.653 -3.301 7.374 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.541 -5.292 5.855 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.777 -5.935 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.952 -7.130 6.343 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.640 -7.334 7.957 1.00 0.00 H new ATOM 1709 N ASN A 110 2.555 -1.497 7.527 1.00 0.00 N ATOM 1710 CA ASN A 110 3.015 -0.197 7.982 1.00 0.00 C ATOM 1711 C ASN A 110 3.705 0.472 6.782 1.00 0.00 C ATOM 1712 O ASN A 110 4.928 0.633 6.768 1.00 0.00 O ATOM 1713 CB ASN A 110 3.964 -0.428 9.175 1.00 0.00 C ATOM 1714 CG ASN A 110 4.419 0.840 9.892 1.00 0.00 C ATOM 1715 OD1 ASN A 110 4.172 1.001 11.080 1.00 0.00 O ATOM 1716 ND2 ASN A 110 5.191 1.705 9.265 1.00 0.00 N ATOM 0 H ASN A 110 3.174 -2.251 7.825 1.00 0.00 H new ATOM 0 HA ASN A 110 2.213 0.457 8.325 1.00 0.00 H new ATOM 0 HB2 ASN A 110 3.466 -1.076 9.896 1.00 0.00 H new ATOM 0 HB3 ASN A 110 4.845 -0.963 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.578 2.502 9.770 1.00 0.00 H new ATOM 0 HD22 ASN A 110 5.401 1.577 8.275 1.00 0.00 H new ATOM 1723 N PHE A 111 2.950 0.829 5.742 1.00 0.00 N ATOM 1724 CA PHE A 111 3.476 1.488 4.552 1.00 0.00 C ATOM 1725 C PHE A 111 2.477 2.469 3.963 1.00 0.00 C ATOM 1726 O PHE A 111 1.356 2.597 4.449 1.00 0.00 O ATOM 1727 CB PHE A 111 3.994 0.475 3.510 1.00 0.00 C ATOM 1728 CG PHE A 111 2.990 -0.249 2.617 1.00 0.00 C ATOM 1729 CD1 PHE A 111 1.692 -0.585 3.057 1.00 0.00 C ATOM 1730 CD2 PHE A 111 3.400 -0.664 1.334 1.00 0.00 C ATOM 1731 CE1 PHE A 111 0.829 -1.328 2.235 1.00 0.00 C ATOM 1732 CE2 PHE A 111 2.539 -1.413 0.513 1.00 0.00 C ATOM 1733 CZ PHE A 111 1.248 -1.736 0.959 1.00 0.00 C ATOM 0 H PHE A 111 1.944 0.665 5.705 1.00 0.00 H new ATOM 0 HA PHE A 111 4.340 2.074 4.865 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.693 1.001 2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.565 -0.284 4.045 1.00 0.00 H new ATOM 0 HD1 PHE A 111 1.359 -0.268 4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.386 -0.404 0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -0.159 -1.586 2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.871 -1.740 -0.461 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.579 -2.297 0.323 1.00 0.00 H new ATOM 1743 N ALA A 112 2.921 3.198 2.939 1.00 0.00 N ATOM 1744 CA ALA A 112 2.144 4.243 2.295 1.00 0.00 C ATOM 1745 C ALA A 112 1.728 3.822 0.885 1.00 0.00 C ATOM 1746 O ALA A 112 0.577 4.027 0.509 1.00 0.00 O ATOM 1747 CB ALA A 112 2.976 5.527 2.295 1.00 0.00 C ATOM 0 H ALA A 112 3.847 3.072 2.531 1.00 0.00 H new ATOM 0 HA ALA A 112 1.219 4.421 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.411 6.326 1.815 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.207 5.811 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.904 5.359 1.748 1.00 0.00 H new ATOM 1753 N LYS A 113 2.671 3.302 0.092 1.00 0.00 N ATOM 1754 CA LYS A 113 2.523 2.749 -1.255 1.00 0.00 C ATOM 1755 C LYS A 113 3.719 1.828 -1.508 1.00 0.00 C ATOM 1756 O LYS A 113 4.637 1.740 -0.687 1.00 0.00 O ATOM 1757 CB LYS A 113 2.388 3.846 -2.344 1.00 0.00 C ATOM 1758 CG LYS A 113 0.965 4.431 -2.487 1.00 0.00 C ATOM 1759 CD LYS A 113 0.796 5.889 -2.027 1.00 0.00 C ATOM 1760 CE LYS A 113 -0.702 6.242 -2.064 1.00 0.00 C ATOM 1761 NZ LYS A 113 -0.967 7.697 -1.956 1.00 0.00 N ATOM 0 H LYS A 113 3.641 3.254 0.405 1.00 0.00 H new ATOM 0 HA LYS A 113 1.593 2.184 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 113 3.080 4.656 -2.114 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.694 3.428 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 113 0.667 4.362 -3.533 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.276 3.807 -1.917 1.00 0.00 H new ATOM 0 HD2 LYS A 113 1.190 6.016 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 113 1.359 6.559 -2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.133 5.870 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.209 5.726 -1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.992 7.859 -1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -0.497 8.073 -1.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.598 8.181 -2.799 1.00 0.00 H new ATOM 1775 N GLU A 114 3.695 1.150 -2.646 1.00 0.00 N ATOM 1776 CA GLU A 114 4.743 0.271 -3.142 1.00 0.00 C ATOM 1777 C GLU A 114 5.248 0.783 -4.492 1.00 0.00 C ATOM 1778 O GLU A 114 4.566 1.604 -5.110 1.00 0.00 O ATOM 1779 CB GLU A 114 4.240 -1.182 -3.174 1.00 0.00 C ATOM 1780 CG GLU A 114 2.877 -1.384 -3.866 1.00 0.00 C ATOM 1781 CD GLU A 114 2.413 -2.845 -3.849 1.00 0.00 C ATOM 1782 OE1 GLU A 114 2.774 -3.600 -4.787 1.00 0.00 O ATOM 1783 OE2 GLU A 114 1.632 -3.228 -2.940 1.00 0.00 O ATOM 0 H GLU A 114 2.900 1.201 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 114 5.601 0.278 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 114 4.983 -1.797 -3.682 1.00 0.00 H new ATOM 0 HB3 GLU A 114 4.169 -1.549 -2.150 1.00 0.00 H new ATOM 0 HG2 GLU A 114 2.129 -0.764 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.944 -1.041 -4.898 1.00 0.00 H new ATOM 1790 N PHE A 115 6.423 0.325 -4.945 1.00 0.00 N ATOM 1791 CA PHE A 115 7.032 0.821 -6.179 1.00 0.00 C ATOM 1792 C PHE A 115 7.626 -0.445 -6.829 1.00 0.00 C ATOM 1793 O PHE A 115 7.907 -1.437 -6.138 1.00 0.00 O ATOM 1794 CB PHE A 115 8.137 1.834 -5.793 1.00 0.00 C ATOM 1795 CG PHE A 115 8.555 2.863 -6.835 1.00 0.00 C ATOM 1796 CD1 PHE A 115 9.079 2.558 -8.102 1.00 0.00 C ATOM 1797 CD2 PHE A 115 8.333 4.217 -6.500 1.00 0.00 C ATOM 1798 CE1 PHE A 115 9.391 3.588 -9.009 1.00 0.00 C ATOM 1799 CE2 PHE A 115 8.638 5.246 -7.402 1.00 0.00 C ATOM 1800 CZ PHE A 115 9.168 4.931 -8.659 1.00 0.00 C ATOM 0 H PHE A 115 6.971 -0.392 -4.470 1.00 0.00 H new ATOM 0 HA PHE A 115 6.345 1.330 -6.855 1.00 0.00 H new ATOM 0 HB2 PHE A 115 7.802 2.373 -4.906 1.00 0.00 H new ATOM 0 HB3 PHE A 115 9.024 1.269 -5.507 1.00 0.00 H new ATOM 0 HD1 PHE A 115 9.243 1.528 -8.382 1.00 0.00 H new ATOM 0 HD2 PHE A 115 7.921 4.464 -5.533 1.00 0.00 H new ATOM 0 HE1 PHE A 115 9.803 3.346 -9.977 1.00 0.00 H new ATOM 0 HE2 PHE A 115 8.465 6.276 -7.129 1.00 0.00 H new ATOM 0 HZ PHE A 115 9.405 5.719 -9.359 1.00 0.00 H new ATOM 1810 N VAL A 116 7.829 -0.444 -8.141 1.00 0.00 N ATOM 1811 CA VAL A 116 8.392 -1.560 -8.898 1.00 0.00 C ATOM 1812 C VAL A 116 9.471 -0.964 -9.805 1.00 0.00 C ATOM 1813 O VAL A 116 9.185 0.024 -10.473 1.00 0.00 O ATOM 1814 CB VAL A 116 7.250 -2.278 -9.649 1.00 0.00 C ATOM 1815 CG1 VAL A 116 7.779 -3.414 -10.520 1.00 0.00 C ATOM 1816 CG2 VAL A 116 6.229 -2.879 -8.670 1.00 0.00 C ATOM 0 H VAL A 116 7.600 0.358 -8.728 1.00 0.00 H new ATOM 0 HA VAL A 116 8.858 -2.324 -8.275 1.00 0.00 H new ATOM 0 HB VAL A 116 6.774 -1.521 -10.273 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.947 -3.896 -11.033 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.477 -3.014 -11.256 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.292 -4.144 -9.894 1.00 0.00 H new ATOM 0 HG21 VAL A 116 5.438 -3.377 -9.230 1.00 0.00 H new ATOM 0 HG22 VAL A 116 6.727 -3.602 -8.024 1.00 0.00 H new ATOM 0 HG23 VAL A 116 5.797 -2.085 -8.061 1.00 0.00 H new ATOM 1826 N ILE A 117 10.691 -1.514 -9.775 1.00 0.00 N ATOM 1827 CA ILE A 117 11.870 -1.031 -10.497 1.00 0.00 C ATOM 1828 C ILE A 117 12.572 -2.219 -11.170 1.00 0.00 C ATOM 1829 O ILE A 117 12.572 -3.332 -10.633 1.00 0.00 O ATOM 1830 CB ILE A 117 12.775 -0.281 -9.500 1.00 0.00 C ATOM 1831 CG1 ILE A 117 12.141 1.048 -9.030 1.00 0.00 C ATOM 1832 CG2 ILE A 117 14.129 0.046 -10.124 1.00 0.00 C ATOM 1833 CD1 ILE A 117 11.887 1.095 -7.522 1.00 0.00 C ATOM 0 H ILE A 117 10.890 -2.346 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 117 11.599 -0.334 -11.290 1.00 0.00 H new ATOM 0 HB ILE A 117 12.900 -0.948 -8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 117 12.796 1.874 -9.307 1.00 0.00 H new ATOM 0 HG13 ILE A 117 11.198 1.199 -9.556 1.00 0.00 H new ATOM 0 HG21 ILE A 117 14.746 0.575 -9.398 1.00 0.00 H new ATOM 0 HG22 ILE A 117 14.627 -0.878 -10.418 1.00 0.00 H new ATOM 0 HG23 ILE A 117 13.983 0.675 -11.002 1.00 0.00 H new ATOM 0 HD11 ILE A 117 11.441 2.054 -7.258 1.00 0.00 H new ATOM 0 HD12 ILE A 117 11.208 0.290 -7.242 1.00 0.00 H new ATOM 0 HD13 ILE A 117 12.831 0.975 -6.990 1.00 0.00 H new ATOM 1845 N SER A 118 13.160 -1.992 -12.345 1.00 0.00 N ATOM 1846 CA SER A 118 13.810 -2.979 -13.198 1.00 0.00 C ATOM 1847 C SER A 118 15.115 -2.492 -13.832 1.00 0.00 C ATOM 1848 O SER A 118 15.774 -3.274 -14.520 1.00 0.00 O ATOM 1849 CB SER A 118 12.830 -3.391 -14.306 1.00 0.00 C ATOM 1850 OG SER A 118 12.385 -2.316 -15.132 1.00 0.00 O ATOM 0 H SER A 118 13.196 -1.056 -12.748 1.00 0.00 H new ATOM 0 HA SER A 118 14.078 -3.821 -12.560 1.00 0.00 H new ATOM 0 HB2 SER A 118 13.308 -4.142 -14.935 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.961 -3.864 -13.848 1.00 0.00 H new ATOM 0 HG SER A 118 12.777 -1.476 -14.815 1.00 0.00 H new ATOM 1856 N ASP A 119 15.484 -1.221 -13.668 1.00 0.00 N ATOM 1857 CA ASP A 119 16.675 -0.642 -14.301 1.00 0.00 C ATOM 1858 C ASP A 119 17.355 0.317 -13.328 1.00 0.00 C ATOM 1859 O ASP A 119 16.691 0.872 -12.456 1.00 0.00 O ATOM 1860 CB ASP A 119 16.260 0.084 -15.587 1.00 0.00 C ATOM 1861 CG ASP A 119 17.460 0.697 -16.302 1.00 0.00 C ATOM 1862 OD1 ASP A 119 17.836 1.846 -15.998 1.00 0.00 O ATOM 1863 OD2 ASP A 119 18.067 0.066 -17.191 1.00 0.00 O ATOM 0 H ASP A 119 14.965 -0.560 -13.091 1.00 0.00 H new ATOM 0 HA ASP A 119 17.384 -1.429 -14.558 1.00 0.00 H new ATOM 0 HB2 ASP A 119 15.758 -0.616 -16.254 1.00 0.00 H new ATOM 0 HB3 ASP A 119 15.541 0.867 -15.347 1.00 0.00 H new ATOM 1868 N ARG A 120 18.668 0.548 -13.445 1.00 0.00 N ATOM 1869 CA ARG A 120 19.368 1.432 -12.515 1.00 0.00 C ATOM 1870 C ARG A 120 18.843 2.871 -12.603 1.00 0.00 C ATOM 1871 O ARG A 120 18.721 3.531 -11.581 1.00 0.00 O ATOM 1872 CB ARG A 120 20.881 1.380 -12.771 1.00 0.00 C ATOM 1873 CG ARG A 120 21.665 1.866 -11.537 1.00 0.00 C ATOM 1874 CD ARG A 120 23.002 2.551 -11.866 1.00 0.00 C ATOM 1875 NE ARG A 120 22.981 3.954 -11.420 1.00 0.00 N ATOM 1876 CZ ARG A 120 23.843 4.617 -10.643 1.00 0.00 C ATOM 1877 NH1 ARG A 120 25.056 4.125 -10.385 1.00 0.00 N ATOM 1878 NH2 ARG A 120 23.468 5.763 -10.096 1.00 0.00 N ATOM 0 H ARG A 120 19.259 0.138 -14.168 1.00 0.00 H new ATOM 0 HA ARG A 120 19.174 1.080 -11.502 1.00 0.00 H new ATOM 0 HB2 ARG A 120 21.177 0.360 -13.017 1.00 0.00 H new ATOM 0 HB3 ARG A 120 21.130 2.000 -13.632 1.00 0.00 H new ATOM 0 HG2 ARG A 120 21.042 2.562 -10.976 1.00 0.00 H new ATOM 0 HG3 ARG A 120 21.857 1.014 -10.885 1.00 0.00 H new ATOM 0 HD2 ARG A 120 23.820 2.020 -11.379 1.00 0.00 H new ATOM 0 HD3 ARG A 120 23.187 2.506 -12.939 1.00 0.00 H new ATOM 0 HE ARG A 120 22.189 4.503 -11.755 1.00 0.00 H new ATOM 0 HH11 ARG A 120 25.338 3.229 -10.783 1.00 0.00 H new ATOM 0 HH12 ARG A 120 25.701 4.645 -9.790 1.00 0.00 H new ATOM 0 HH21 ARG A 120 22.532 6.129 -10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 120 24.115 6.280 -9.501 1.00 0.00 H new ATOM 1892 N LYS A 121 18.514 3.355 -13.803 1.00 0.00 N ATOM 1893 CA LYS A 121 17.992 4.695 -14.044 1.00 0.00 C ATOM 1894 C LYS A 121 16.609 4.849 -13.407 1.00 0.00 C ATOM 1895 O LYS A 121 16.230 5.945 -13.017 1.00 0.00 O ATOM 1896 CB LYS A 121 17.905 4.980 -15.555 1.00 0.00 C ATOM 1897 CG LYS A 121 19.227 4.751 -16.316 1.00 0.00 C ATOM 1898 CD LYS A 121 19.046 4.829 -17.847 1.00 0.00 C ATOM 1899 CE LYS A 121 19.707 3.643 -18.573 1.00 0.00 C ATOM 1900 NZ LYS A 121 18.931 2.390 -18.432 1.00 0.00 N ATOM 0 H LYS A 121 18.608 2.806 -14.657 1.00 0.00 H new ATOM 0 HA LYS A 121 18.675 5.413 -13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.133 4.345 -15.990 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.588 6.013 -15.701 1.00 0.00 H new ATOM 0 HG2 LYS A 121 19.958 5.496 -16.001 1.00 0.00 H new ATOM 0 HG3 LYS A 121 19.632 3.774 -16.050 1.00 0.00 H new ATOM 0 HD2 LYS A 121 17.982 4.851 -18.085 1.00 0.00 H new ATOM 0 HD3 LYS A 121 19.474 5.762 -18.215 1.00 0.00 H new ATOM 0 HE2 LYS A 121 19.815 3.883 -19.631 1.00 0.00 H new ATOM 0 HE3 LYS A 121 20.711 3.492 -18.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 19.399 1.630 -18.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 18.878 2.126 -17.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 17.970 2.533 -18.804 1.00 0.00 H new ATOM 1914 N GLU A 122 15.851 3.755 -13.341 1.00 0.00 N ATOM 1915 CA GLU A 122 14.538 3.647 -12.715 1.00 0.00 C ATOM 1916 C GLU A 122 14.684 3.563 -11.182 1.00 0.00 C ATOM 1917 O GLU A 122 13.744 3.858 -10.455 1.00 0.00 O ATOM 1918 CB GLU A 122 13.851 2.427 -13.350 1.00 0.00 C ATOM 1919 CG GLU A 122 12.367 2.187 -13.027 1.00 0.00 C ATOM 1920 CD GLU A 122 11.861 0.858 -13.618 1.00 0.00 C ATOM 1921 OE1 GLU A 122 12.680 0.031 -14.085 1.00 0.00 O ATOM 1922 OE2 GLU A 122 10.654 0.557 -13.522 1.00 0.00 O ATOM 0 H GLU A 122 16.157 2.871 -13.747 1.00 0.00 H new ATOM 0 HA GLU A 122 13.916 4.525 -12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 122 13.948 2.515 -14.432 1.00 0.00 H new ATOM 0 HB3 GLU A 122 14.406 1.538 -13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 122 12.227 2.181 -11.946 1.00 0.00 H new ATOM 0 HG3 GLU A 122 11.771 3.010 -13.421 1.00 0.00 H new ATOM 1929 N LEU A 123 15.844 3.126 -10.687 1.00 0.00 N ATOM 1930 CA LEU A 123 16.183 2.932 -9.277 1.00 0.00 C ATOM 1931 C LEU A 123 16.629 4.231 -8.592 1.00 0.00 C ATOM 1932 O LEU A 123 16.599 4.295 -7.364 1.00 0.00 O ATOM 1933 CB LEU A 123 17.235 1.798 -9.210 1.00 0.00 C ATOM 1934 CG LEU A 123 17.494 1.028 -7.903 1.00 0.00 C ATOM 1935 CD1 LEU A 123 18.576 1.690 -7.059 1.00 0.00 C ATOM 1936 CD2 LEU A 123 16.244 0.677 -7.089 1.00 0.00 C ATOM 0 H LEU A 123 16.621 2.883 -11.301 1.00 0.00 H new ATOM 0 HA LEU A 123 15.300 2.637 -8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 123 16.958 1.061 -9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 123 18.187 2.228 -9.520 1.00 0.00 H new ATOM 0 HG LEU A 123 17.870 0.058 -8.227 1.00 0.00 H new ATOM 0 HD11 LEU A 123 18.728 1.115 -6.146 1.00 0.00 H new ATOM 0 HD12 LEU A 123 19.507 1.726 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 123 18.268 2.704 -6.803 1.00 0.00 H new ATOM 0 HD21 LEU A 123 16.536 0.136 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 123 15.723 1.593 -6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 123 15.583 0.052 -7.689 1.00 0.00 H new ATOM 1948 N GLU A 124 17.114 5.229 -9.339 1.00 0.00 N ATOM 1949 CA GLU A 124 17.648 6.475 -8.790 1.00 0.00 C ATOM 1950 C GLU A 124 16.606 7.210 -7.925 1.00 0.00 C ATOM 1951 O GLU A 124 15.559 7.633 -8.419 1.00 0.00 O ATOM 1952 CB GLU A 124 18.100 7.433 -9.913 1.00 0.00 C ATOM 1953 CG GLU A 124 18.951 6.844 -11.046 1.00 0.00 C ATOM 1954 CD GLU A 124 20.335 6.313 -10.671 1.00 0.00 C ATOM 1955 OE1 GLU A 124 20.798 6.418 -9.514 1.00 0.00 O ATOM 1956 OE2 GLU A 124 21.039 5.834 -11.588 1.00 0.00 O ATOM 0 H GLU A 124 17.146 5.191 -10.358 1.00 0.00 H new ATOM 0 HA GLU A 124 18.502 6.195 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 124 17.208 7.875 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 124 18.665 8.245 -9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 124 18.389 6.030 -11.504 1.00 0.00 H new ATOM 0 HG3 GLU A 124 19.078 7.612 -11.809 1.00 0.00 H new ATOM 1963 N GLU A 125 16.941 7.491 -6.662 1.00 0.00 N ATOM 1964 CA GLU A 125 16.075 8.228 -5.740 1.00 0.00 C ATOM 1965 C GLU A 125 15.657 9.618 -6.198 1.00 0.00 C ATOM 1966 O GLU A 125 14.637 10.122 -5.730 1.00 0.00 O ATOM 1967 CB GLU A 125 16.753 8.410 -4.370 1.00 0.00 C ATOM 1968 CG GLU A 125 16.626 7.193 -3.457 1.00 0.00 C ATOM 1969 CD GLU A 125 15.388 7.295 -2.567 1.00 0.00 C ATOM 1970 OE1 GLU A 125 15.412 8.154 -1.654 1.00 0.00 O ATOM 1971 OE2 GLU A 125 14.414 6.552 -2.820 1.00 0.00 O ATOM 0 H GLU A 125 17.830 7.210 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 125 15.182 7.605 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 125 17.810 8.630 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 125 16.317 9.275 -3.871 1.00 0.00 H new ATOM 0 HG2 GLU A 125 16.569 6.287 -4.060 1.00 0.00 H new ATOM 0 HG3 GLU A 125 17.517 7.107 -2.836 1.00 0.00 H new ATOM 1978 N ASP A 126 16.414 10.274 -7.080 1.00 0.00 N ATOM 1979 CA ASP A 126 16.088 11.640 -7.440 1.00 0.00 C ATOM 1980 C ASP A 126 14.717 11.802 -8.085 1.00 0.00 C ATOM 1981 O ASP A 126 13.889 12.537 -7.542 1.00 0.00 O ATOM 1982 CB ASP A 126 17.201 12.340 -8.213 1.00 0.00 C ATOM 1983 CG ASP A 126 16.978 13.843 -8.047 1.00 0.00 C ATOM 1984 OD1 ASP A 126 17.150 14.282 -6.879 1.00 0.00 O ATOM 1985 OD2 ASP A 126 16.621 14.512 -9.034 1.00 0.00 O ATOM 0 H ASP A 126 17.236 9.887 -7.544 1.00 0.00 H new ATOM 0 HA ASP A 126 16.011 12.166 -6.488 1.00 0.00 H new ATOM 0 HB2 ASP A 126 18.179 12.050 -7.830 1.00 0.00 H new ATOM 0 HB3 ASP A 126 17.175 12.060 -9.266 1.00 0.00 H new ATOM 1990 N PHE A 127 14.422 11.085 -9.177 1.00 0.00 N ATOM 1991 CA PHE A 127 13.093 11.254 -9.760 1.00 0.00 C ATOM 1992 C PHE A 127 12.053 10.542 -8.888 1.00 0.00 C ATOM 1993 O PHE A 127 10.907 10.992 -8.840 1.00 0.00 O ATOM 1994 CB PHE A 127 13.002 10.748 -11.206 1.00 0.00 C ATOM 1995 CG PHE A 127 12.801 9.253 -11.338 1.00 0.00 C ATOM 1996 CD1 PHE A 127 13.868 8.358 -11.156 1.00 0.00 C ATOM 1997 CD2 PHE A 127 11.498 8.759 -11.552 1.00 0.00 C ATOM 1998 CE1 PHE A 127 13.627 6.977 -11.202 1.00 0.00 C ATOM 1999 CE2 PHE A 127 11.261 7.378 -11.604 1.00 0.00 C ATOM 2000 CZ PHE A 127 12.329 6.485 -11.430 1.00 0.00 C ATOM 0 H PHE A 127 15.042 10.425 -9.647 1.00 0.00 H new ATOM 0 HA PHE A 127 12.891 12.325 -9.790 1.00 0.00 H new ATOM 0 HB2 PHE A 127 12.178 11.258 -11.704 1.00 0.00 H new ATOM 0 HB3 PHE A 127 13.914 11.027 -11.733 1.00 0.00 H new ATOM 0 HD1 PHE A 127 14.867 8.730 -10.982 1.00 0.00 H new ATOM 0 HD2 PHE A 127 10.677 9.449 -11.677 1.00 0.00 H new ATOM 0 HE1 PHE A 127 14.445 6.286 -11.061 1.00 0.00 H new ATOM 0 HE2 PHE A 127 10.263 7.004 -11.777 1.00 0.00 H new ATOM 0 HZ PHE A 127 12.155 5.420 -11.471 1.00 0.00 H new ATOM 2010 N ILE A 128 12.456 9.505 -8.142 1.00 0.00 N ATOM 2011 CA ILE A 128 11.600 8.764 -7.217 1.00 0.00 C ATOM 2012 C ILE A 128 11.003 9.736 -6.198 1.00 0.00 C ATOM 2013 O ILE A 128 9.846 9.561 -5.828 1.00 0.00 O ATOM 2014 CB ILE A 128 12.358 7.582 -6.571 1.00 0.00 C ATOM 2015 CG1 ILE A 128 12.553 6.456 -7.610 1.00 0.00 C ATOM 2016 CG2 ILE A 128 11.674 7.027 -5.306 1.00 0.00 C ATOM 2017 CD1 ILE A 128 13.386 5.283 -7.091 1.00 0.00 C ATOM 0 H ILE A 128 13.413 9.152 -8.169 1.00 0.00 H new ATOM 0 HA ILE A 128 10.773 8.309 -7.762 1.00 0.00 H new ATOM 0 HB ILE A 128 13.324 7.970 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 128 11.576 6.087 -7.922 1.00 0.00 H new ATOM 0 HG13 ILE A 128 13.035 6.870 -8.496 1.00 0.00 H new ATOM 0 HG21 ILE A 128 12.262 6.200 -4.908 1.00 0.00 H new ATOM 0 HG22 ILE A 128 11.601 7.815 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.675 6.673 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 128 13.482 4.530 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 128 14.376 5.638 -6.806 1.00 0.00 H new ATOM 0 HD13 ILE A 128 12.894 4.844 -6.223 1.00 0.00 H new ATOM 2029 N LYS A 129 11.717 10.785 -5.770 1.00 0.00 N ATOM 2030 CA LYS A 129 11.163 11.796 -4.864 1.00 0.00 C ATOM 2031 C LYS A 129 9.895 12.393 -5.460 1.00 0.00 C ATOM 2032 O LYS A 129 8.850 12.399 -4.808 1.00 0.00 O ATOM 2033 CB LYS A 129 12.190 12.915 -4.608 1.00 0.00 C ATOM 2034 CG LYS A 129 13.414 12.486 -3.781 1.00 0.00 C ATOM 2035 CD LYS A 129 14.644 13.346 -4.129 1.00 0.00 C ATOM 2036 CE LYS A 129 15.945 12.588 -3.847 1.00 0.00 C ATOM 2037 NZ LYS A 129 17.121 13.334 -4.352 1.00 0.00 N ATOM 0 H LYS A 129 12.686 10.955 -6.040 1.00 0.00 H new ATOM 0 HA LYS A 129 10.925 11.314 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 129 12.534 13.301 -5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 129 11.691 13.737 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 129 13.190 12.579 -2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 129 13.635 11.435 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 129 14.606 13.631 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 129 14.623 14.268 -3.548 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.048 12.424 -2.774 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.905 11.605 -4.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.887 12.666 -4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 16.858 13.857 -5.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 17.446 14.004 -3.625 1.00 0.00 H new ATOM 2051 N SER A 130 9.986 12.922 -6.680 1.00 0.00 N ATOM 2052 CA SER A 130 8.855 13.539 -7.349 1.00 0.00 C ATOM 2053 C SER A 130 7.801 12.485 -7.704 1.00 0.00 C ATOM 2054 O SER A 130 6.607 12.758 -7.602 1.00 0.00 O ATOM 2055 CB SER A 130 9.347 14.317 -8.570 1.00 0.00 C ATOM 2056 OG SER A 130 8.393 15.274 -8.989 1.00 0.00 O ATOM 0 H SER A 130 10.847 12.932 -7.227 1.00 0.00 H new ATOM 0 HA SER A 130 8.369 14.249 -6.680 1.00 0.00 H new ATOM 0 HB2 SER A 130 10.286 14.817 -8.331 1.00 0.00 H new ATOM 0 HB3 SER A 130 9.553 13.625 -9.386 1.00 0.00 H new ATOM 0 HG SER A 130 8.735 15.757 -9.770 1.00 0.00 H new ATOM 2062 N GLU A 131 8.203 11.264 -8.056 1.00 0.00 N ATOM 2063 CA GLU A 131 7.278 10.180 -8.371 1.00 0.00 C ATOM 2064 C GLU A 131 6.457 9.836 -7.120 1.00 0.00 C ATOM 2065 O GLU A 131 5.236 9.713 -7.161 1.00 0.00 O ATOM 2066 CB GLU A 131 8.074 8.994 -8.951 1.00 0.00 C ATOM 2067 CG GLU A 131 7.230 8.019 -9.783 1.00 0.00 C ATOM 2068 CD GLU A 131 6.431 8.774 -10.855 1.00 0.00 C ATOM 2069 OE1 GLU A 131 7.022 9.252 -11.846 1.00 0.00 O ATOM 2070 OE2 GLU A 131 5.228 9.062 -10.667 1.00 0.00 O ATOM 0 H GLU A 131 9.185 11.000 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 131 6.559 10.473 -9.136 1.00 0.00 H new ATOM 0 HB2 GLU A 131 8.881 9.382 -9.573 1.00 0.00 H new ATOM 0 HB3 GLU A 131 8.539 8.447 -8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 131 7.878 7.282 -10.257 1.00 0.00 H new ATOM 0 HG3 GLU A 131 6.548 7.472 -9.131 1.00 0.00 H new ATOM 2077 N LEU A 132 7.107 9.784 -5.958 1.00 0.00 N ATOM 2078 CA LEU A 132 6.487 9.565 -4.660 1.00 0.00 C ATOM 2079 C LEU A 132 5.654 10.771 -4.228 1.00 0.00 C ATOM 2080 O LEU A 132 4.813 10.612 -3.338 1.00 0.00 O ATOM 2081 CB LEU A 132 7.539 9.182 -3.621 1.00 0.00 C ATOM 2082 CG LEU A 132 8.029 7.726 -3.772 1.00 0.00 C ATOM 2083 CD1 LEU A 132 9.190 7.511 -2.808 1.00 0.00 C ATOM 2084 CD2 LEU A 132 6.933 6.693 -3.459 1.00 0.00 C ATOM 0 H LEU A 132 8.119 9.898 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 132 5.795 8.728 -4.746 1.00 0.00 H new ATOM 0 HB2 LEU A 132 8.390 9.857 -3.707 1.00 0.00 H new ATOM 0 HB3 LEU A 132 7.123 9.319 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 132 8.327 7.581 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 132 9.553 6.487 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 132 9.996 8.204 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 132 8.853 7.688 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 132 7.335 5.687 -3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 132 6.592 6.824 -2.432 1.00 0.00 H new ATOM 0 HD23 LEU A 132 6.094 6.834 -4.141 1.00 0.00 H new ATOM 2096 N LYS A 133 5.936 11.975 -4.744 1.00 0.00 N ATOM 2097 CA LYS A 133 5.136 13.170 -4.480 1.00 0.00 C ATOM 2098 C LYS A 133 3.861 13.018 -5.307 1.00 0.00 C ATOM 2099 O LYS A 133 2.784 13.087 -4.729 1.00 0.00 O ATOM 2100 CB LYS A 133 5.882 14.479 -4.815 1.00 0.00 C ATOM 2101 CG LYS A 133 6.855 14.939 -3.710 1.00 0.00 C ATOM 2102 CD LYS A 133 6.709 16.431 -3.346 1.00 0.00 C ATOM 2103 CE LYS A 133 5.394 16.677 -2.592 1.00 0.00 C ATOM 2104 NZ LYS A 133 5.229 18.072 -2.130 1.00 0.00 N ATOM 0 H LYS A 133 6.731 12.144 -5.360 1.00 0.00 H new ATOM 0 HA LYS A 133 4.914 13.248 -3.416 1.00 0.00 H new ATOM 0 HB2 LYS A 133 6.438 14.343 -5.743 1.00 0.00 H new ATOM 0 HB3 LYS A 133 5.151 15.268 -4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 133 6.689 14.337 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 133 7.878 14.751 -4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 133 7.552 16.745 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 133 6.734 17.036 -4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 133 4.558 16.417 -3.242 1.00 0.00 H new ATOM 0 HE3 LYS A 133 5.348 16.010 -1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 133 4.245 18.224 -1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 133 5.867 18.250 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 133 5.459 18.724 -2.907 1.00 0.00 H new ATOM 2118 N LYS A 134 3.963 12.729 -6.611 1.00 0.00 N ATOM 2119 CA LYS A 134 2.831 12.471 -7.507 1.00 0.00 C ATOM 2120 C LYS A 134 1.942 11.378 -6.915 1.00 0.00 C ATOM 2121 O LYS A 134 0.760 11.606 -6.679 1.00 0.00 O ATOM 2122 CB LYS A 134 3.337 12.059 -8.904 1.00 0.00 C ATOM 2123 CG LYS A 134 3.991 13.199 -9.708 1.00 0.00 C ATOM 2124 CD LYS A 134 4.927 12.670 -10.811 1.00 0.00 C ATOM 2125 CE LYS A 134 4.206 11.774 -11.830 1.00 0.00 C ATOM 2126 NZ LYS A 134 5.153 10.999 -12.658 1.00 0.00 N ATOM 0 H LYS A 134 4.864 12.667 -7.085 1.00 0.00 H new ATOM 0 HA LYS A 134 2.244 13.384 -7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 134 4.059 11.250 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 134 2.500 11.661 -9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.214 13.816 -10.159 1.00 0.00 H new ATOM 0 HG3 LYS A 134 4.556 13.841 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 134 5.378 13.514 -11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 134 5.740 12.107 -10.352 1.00 0.00 H new ATOM 0 HE2 LYS A 134 3.541 11.089 -11.303 1.00 0.00 H new ATOM 0 HE3 LYS A 134 3.581 12.391 -12.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 4.657 10.194 -13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 5.541 11.610 -13.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 5.929 10.647 -12.061 1.00 0.00 H new ATOM 2140 N ALA A 135 2.511 10.203 -6.637 1.00 0.00 N ATOM 2141 CA ALA A 135 1.804 9.080 -6.035 1.00 0.00 C ATOM 2142 C ALA A 135 1.367 9.362 -4.592 1.00 0.00 C ATOM 2143 O ALA A 135 0.577 8.599 -4.033 1.00 0.00 O ATOM 2144 CB ALA A 135 2.712 7.843 -6.064 1.00 0.00 C ATOM 0 H ALA A 135 3.493 10.006 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 135 0.898 8.910 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 135 2.190 6.998 -5.615 1.00 0.00 H new ATOM 0 HB2 ALA A 135 2.969 7.604 -7.096 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.623 8.047 -5.501 1.00 0.00 H new ATOM 2150 N GLY A 136 1.891 10.405 -3.949 1.00 0.00 N ATOM 2151 CA GLY A 136 1.585 10.784 -2.582 1.00 0.00 C ATOM 2152 C GLY A 136 0.326 11.635 -2.559 1.00 0.00 C ATOM 2153 O GLY A 136 -0.697 11.184 -2.043 1.00 0.00 O ATOM 0 H GLY A 136 2.566 11.030 -4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 136 1.445 9.893 -1.970 1.00 0.00 H new ATOM 0 HA3 GLY A 136 2.419 11.339 -2.152 1.00 0.00 H new ATOM 2157 N GLY A 137 0.440 12.838 -3.119 1.00 0.00 N ATOM 2158 CA GLY A 137 -0.531 13.915 -3.195 1.00 0.00 C ATOM 2159 C GLY A 137 0.239 15.241 -3.173 1.00 0.00 C ATOM 2160 O GLY A 137 1.420 15.265 -2.809 1.00 0.00 O ATOM 0 H GLY A 137 1.311 13.105 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -1.123 13.832 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.226 13.863 -2.357 1.00 0.00 H new ATOM 2164 N ALA A 138 -0.408 16.345 -3.553 1.00 0.00 N ATOM 2165 CA ALA A 138 0.159 17.687 -3.514 1.00 0.00 C ATOM 2166 C ALA A 138 -0.974 18.706 -3.372 1.00 0.00 C ATOM 2167 O ALA A 138 -2.143 18.367 -3.554 1.00 0.00 O ATOM 2168 CB ALA A 138 0.962 17.956 -4.796 1.00 0.00 C ATOM 0 H ALA A 138 -1.365 16.326 -3.905 1.00 0.00 H new ATOM 0 HA ALA A 138 0.832 17.776 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 138 1.382 18.961 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.769 17.228 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.305 17.870 -5.662 1.00 0.00 H new ATOM 2174 N ASN A 139 -0.606 19.946 -3.065 1.00 0.00 N ATOM 2175 CA ASN A 139 -1.432 21.141 -2.942 1.00 0.00 C ATOM 2176 C ASN A 139 -0.502 22.323 -3.224 1.00 0.00 C ATOM 2177 O ASN A 139 0.710 22.189 -3.037 1.00 0.00 O ATOM 2178 CB ASN A 139 -2.018 21.240 -1.520 1.00 0.00 C ATOM 2179 CG ASN A 139 -2.441 22.664 -1.169 1.00 0.00 C ATOM 2180 OD1 ASN A 139 -1.678 23.377 -0.543 1.00 0.00 O ATOM 2181 ND2 ASN A 139 -3.600 23.132 -1.604 1.00 0.00 N ATOM 0 H ASN A 139 0.374 20.159 -2.878 1.00 0.00 H new ATOM 0 HA ASN A 139 -2.273 21.123 -3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 139 -2.878 20.576 -1.436 1.00 0.00 H new ATOM 0 HB3 ASN A 139 -1.277 20.894 -0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 139 -3.862 24.100 -1.416 1.00 0.00 H new ATOM 0 HD22 ASN A 139 -4.231 22.525 -2.127 1.00 0.00 H new ATOM 2188 N TYR A 140 -1.062 23.433 -3.701 1.00 0.00 N ATOM 2189 CA TYR A 140 -0.375 24.686 -3.946 1.00 0.00 C ATOM 2190 C TYR A 140 -1.416 25.770 -3.692 1.00 0.00 C ATOM 2191 O TYR A 140 -2.174 26.126 -4.592 1.00 0.00 O ATOM 2192 CB TYR A 140 0.192 24.780 -5.367 1.00 0.00 C ATOM 2193 CG TYR A 140 1.341 23.835 -5.665 1.00 0.00 C ATOM 2194 CD1 TYR A 140 2.640 24.155 -5.226 1.00 0.00 C ATOM 2195 CD2 TYR A 140 1.114 22.635 -6.368 1.00 0.00 C ATOM 2196 CE1 TYR A 140 3.712 23.283 -5.484 1.00 0.00 C ATOM 2197 CE2 TYR A 140 2.179 21.751 -6.622 1.00 0.00 C ATOM 2198 CZ TYR A 140 3.482 22.075 -6.180 1.00 0.00 C ATOM 2199 OH TYR A 140 4.516 21.224 -6.433 1.00 0.00 O ATOM 0 H TYR A 140 -2.054 23.479 -3.936 1.00 0.00 H new ATOM 0 HA TYR A 140 0.493 24.787 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 140 -0.612 24.584 -6.076 1.00 0.00 H new ATOM 0 HB3 TYR A 140 0.528 25.802 -5.541 1.00 0.00 H new ATOM 0 HD1 TYR A 140 2.814 25.075 -4.688 1.00 0.00 H new ATOM 0 HD2 TYR A 140 0.120 22.393 -6.713 1.00 0.00 H new ATOM 0 HE1 TYR A 140 4.708 23.536 -5.151 1.00 0.00 H new ATOM 0 HE2 TYR A 140 2.001 20.828 -7.153 1.00 0.00 H new ATOM 0 HH TYR A 140 4.184 20.441 -6.919 1.00 0.00 H new ATOM 2209 N ASP A 141 -1.501 26.208 -2.445 1.00 0.00 N ATOM 2210 CA ASP A 141 -2.351 27.283 -1.940 1.00 0.00 C ATOM 2211 C ASP A 141 -1.638 27.819 -0.695 1.00 0.00 C ATOM 2212 O ASP A 141 -0.937 27.043 -0.036 1.00 0.00 O ATOM 2213 CB ASP A 141 -3.745 26.739 -1.600 1.00 0.00 C ATOM 2214 CG ASP A 141 -4.744 27.835 -1.218 1.00 0.00 C ATOM 2215 OD1 ASP A 141 -4.373 29.031 -1.264 1.00 0.00 O ATOM 2216 OD2 ASP A 141 -5.892 27.440 -0.919 1.00 0.00 O ATOM 0 H ASP A 141 -0.938 25.793 -1.703 1.00 0.00 H new ATOM 0 HA ASP A 141 -2.500 28.074 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -4.131 26.187 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -3.660 26.030 -0.776 1.00 0.00 H new ATOM 2221 N ALA A 142 -1.690 29.127 -0.435 1.00 0.00 N ATOM 2222 CA ALA A 142 -0.985 29.750 0.683 1.00 0.00 C ATOM 2223 C ALA A 142 -1.626 31.079 1.109 1.00 0.00 C ATOM 2224 O ALA A 142 -1.036 32.133 0.868 1.00 0.00 O ATOM 2225 CB ALA A 142 0.501 29.929 0.319 1.00 0.00 C ATOM 0 H ALA A 142 -2.226 29.786 -0.999 1.00 0.00 H new ATOM 0 HA ALA A 142 -1.062 29.088 1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 142 1.027 30.394 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 142 0.944 28.956 0.108 1.00 0.00 H new ATOM 0 HB3 ALA A 142 0.586 30.565 -0.562 1.00 0.00 H new ATOM 2231 N GLN A 143 -2.826 31.064 1.697 1.00 0.00 N ATOM 2232 CA GLN A 143 -3.484 32.260 2.227 1.00 0.00 C ATOM 2233 C GLN A 143 -4.306 31.881 3.466 1.00 0.00 C ATOM 2234 O GLN A 143 -4.584 30.704 3.695 1.00 0.00 O ATOM 2235 CB GLN A 143 -4.366 32.954 1.162 1.00 0.00 C ATOM 2236 CG GLN A 143 -3.558 33.674 0.067 1.00 0.00 C ATOM 2237 CD GLN A 143 -4.313 34.863 -0.521 1.00 0.00 C ATOM 2238 OE1 GLN A 143 -4.912 34.803 -1.587 1.00 0.00 O ATOM 2239 NE2 GLN A 143 -4.297 35.998 0.165 1.00 0.00 N ATOM 0 H GLN A 143 -3.373 30.212 1.819 1.00 0.00 H new ATOM 0 HA GLN A 143 -2.716 32.980 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.011 32.210 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -5.017 33.676 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -2.611 34.017 0.484 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -3.319 32.968 -0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -3.799 36.050 1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.783 36.819 -0.196 1.00 0.00 H new ATOM 2248 N THR A 144 -4.796 32.905 4.172 1.00 0.00 N ATOM 2249 CA THR A 144 -5.542 32.904 5.444 1.00 0.00 C ATOM 2250 C THR A 144 -4.550 32.901 6.630 1.00 0.00 C ATOM 2251 O THR A 144 -4.897 32.547 7.756 1.00 0.00 O ATOM 2252 CB THR A 144 -6.591 31.764 5.517 1.00 0.00 C ATOM 2253 OG1 THR A 144 -7.222 31.584 4.262 1.00 0.00 O ATOM 2254 CG2 THR A 144 -7.736 32.073 6.493 1.00 0.00 C ATOM 0 H THR A 144 -4.668 33.859 3.834 1.00 0.00 H new ATOM 0 HA THR A 144 -6.129 33.821 5.504 1.00 0.00 H new ATOM 0 HB THR A 144 -6.032 30.886 5.840 1.00 0.00 H new ATOM 0 HG1 THR A 144 -7.879 30.860 4.327 1.00 0.00 H new ATOM 0 HG21 THR A 144 -8.440 31.241 6.503 1.00 0.00 H new ATOM 0 HG22 THR A 144 -7.331 32.218 7.495 1.00 0.00 H new ATOM 0 HG23 THR A 144 -8.251 32.980 6.175 1.00 0.00 H new ATOM 2262 N GLU A 145 -3.336 33.381 6.370 1.00 0.00 N ATOM 2263 CA GLU A 145 -2.190 33.616 7.227 1.00 0.00 C ATOM 2264 C GLU A 145 -1.560 34.875 6.612 1.00 0.00 C ATOM 2265 O GLU A 145 -0.957 35.656 7.375 1.00 0.00 O ATOM 2266 CB GLU A 145 -1.222 32.406 7.233 1.00 0.00 C ATOM 2267 CG GLU A 145 -1.756 31.205 8.043 1.00 0.00 C ATOM 2268 CD GLU A 145 -0.784 30.007 8.107 1.00 0.00 C ATOM 2269 OE1 GLU A 145 -0.845 29.137 7.205 1.00 0.00 O ATOM 2270 OE2 GLU A 145 -0.015 29.908 9.095 1.00 0.00 O ATOM 2271 OXT GLU A 145 -1.784 35.089 5.390 1.00 0.00 O ATOM 0 H GLU A 145 -3.109 33.650 5.413 1.00 0.00 H new ATOM 0 HA GLU A 145 -2.450 33.747 8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -1.038 32.091 6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -0.263 32.718 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -1.977 31.534 9.058 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -2.697 30.873 7.603 1.00 0.00 H new TER 2278 GLU A 145