USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 821 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 67 TYR OH : rot 42:sc= -3.98! USER MOD Set 1.2: A 74 TYR OH : rot 165:sc= 0.211 USER MOD Set 2.1: A 39 HIS : no HD1:sc= -7.26! C(o=-8.6!,f=-9.4!) USER MOD Set 2.2: A 56 ASN : amide:sc= -1.31 K(o=-8.6,f=-11) USER MOD Set 3.1: A 19 THR OG1 : rot 15:sc= 1.05 USER MOD Set 3.2: A 31 ASN : amide:sc= -3.89! C(o=-2.8!,f=-9.4!) USER MOD Single : A 2 SER OG : rot -81:sc= -3 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ 140:sc= 0.0775 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot -7:sc= -0.049 USER MOD Single : A 16 GLN : amide:sc= -0.541 K(o=-0.54,f=-3.9!) USER MOD Single : A 17 CYS SG : rot 180:sc= -2 USER MOD Single : A 18 HIS : no HE2:sc= -5.9! C(o=-5.9!,f=-12!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= -0.0984 (180deg=-0.49) USER MOD Single : A 33 HIS : no HD1:sc= -12.2! C(o=-12!,f=-12!) USER MOD Single : A 40 SER OG : rot 21:sc= -0.429 USER MOD Single : A 42 GLN : amide:sc= -7.44! C(o=-7.4!,f=-9.4!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00049 USER MOD Single : A 52 ASN : amide:sc= -2.29 K(o=-2.3,f=-7.8!) USER MOD Single : A 54 LYS NZ :NH3+ -123:sc= 0.0672 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0104) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0524 F(o=-2.8!,f=-0.052) USER MOD Single : A 63 ASN : amide:sc= -0.687 K(o=-0.69,f=-2.5!) USER MOD Single : A 64 MET CE :methyl -132:sc= -2.87 (180deg=-6.8!) USER MOD Single : A 65 SER OG : rot -80:sc= 0.699 USER MOD Single : A 69 THR OG1 : rot -38:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -4.61! C(o=-4.6!,f=-7!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 147:sc= 0 (180deg=-0.616) USER MOD Single : A 86 LYS NZ :NH3+ 150:sc= -1.47 (180deg=-3.26!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 167:sc= 0.0528 (180deg=-0.00571) USER MOD Single : A 92 ASN : amide:sc= -0.169 K(o=-0.17,f=-1.7!) USER MOD Single : A 96 THR OG1 : rot 83:sc= -0.453 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= -0.0207 (180deg=-0.304) USER MOD Single : A 102 SER OG : rot 24:sc= -1.12! USER MOD ----------------------------------------------------------------- ATOM 30 N PHE A -3 4.286 -17.097 -7.915 1.00 0.00 N ATOM 31 CA PHE A -3 3.642 -16.834 -6.639 1.00 0.00 C ATOM 32 C PHE A -3 2.466 -17.787 -6.411 1.00 0.00 C ATOM 33 O PHE A -3 1.975 -18.408 -7.352 1.00 0.00 O ATOM 34 CB PHE A -3 3.117 -15.398 -6.690 1.00 0.00 C ATOM 35 CG PHE A -3 1.970 -15.120 -5.716 1.00 0.00 C ATOM 36 CD1 PHE A -3 2.232 -14.926 -4.395 1.00 0.00 C ATOM 37 CD2 PHE A -3 0.690 -15.065 -6.170 1.00 0.00 C ATOM 38 CE1 PHE A -3 1.169 -14.667 -3.491 1.00 0.00 C ATOM 39 CE2 PHE A -3 -0.374 -14.806 -5.266 1.00 0.00 C ATOM 40 CZ PHE A -3 -0.112 -14.613 -3.945 1.00 0.00 C ATOM 0 H1 PHE A -3 4.543 -16.196 -8.366 1.00 0.00 H new ATOM 0 H2 PHE A -3 5.144 -17.664 -7.760 1.00 0.00 H new ATOM 0 H3 PHE A -3 3.632 -17.620 -8.533 1.00 0.00 H new ATOM 0 HA PHE A -3 4.354 -16.978 -5.827 1.00 0.00 H new ATOM 0 HB2 PHE A -3 3.938 -14.714 -6.474 1.00 0.00 H new ATOM 0 HB3 PHE A -3 2.780 -15.181 -7.704 1.00 0.00 H new ATOM 0 HD1 PHE A -3 3.249 -14.969 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A -3 0.482 -15.218 -7.219 1.00 0.00 H new ATOM 0 HE1 PHE A -3 1.377 -14.513 -2.443 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -1.391 -14.762 -5.627 1.00 0.00 H new ATOM 0 HZ PHE A -3 -0.921 -14.417 -3.257 1.00 0.00 H new ATOM 50 N LYS A -2 2.050 -17.872 -5.156 1.00 0.00 N ATOM 51 CA LYS A -2 0.942 -18.739 -4.793 1.00 0.00 C ATOM 52 C LYS A -2 -0.099 -17.930 -4.016 1.00 0.00 C ATOM 53 O LYS A -2 0.242 -17.215 -3.075 1.00 0.00 O ATOM 54 CB LYS A -2 1.449 -19.971 -4.041 1.00 0.00 C ATOM 55 CG LYS A -2 0.834 -21.252 -4.610 1.00 0.00 C ATOM 56 CD LYS A -2 0.693 -22.321 -3.525 1.00 0.00 C ATOM 57 CE LYS A -2 -0.779 -22.574 -3.192 1.00 0.00 C ATOM 58 NZ LYS A -2 -0.976 -22.631 -1.726 1.00 0.00 N ATOM 0 H LYS A -2 2.460 -17.355 -4.378 1.00 0.00 H new ATOM 0 HA LYS A -2 0.449 -19.121 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A -2 2.536 -20.023 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A -2 1.202 -19.883 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -0.144 -21.031 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A -2 1.458 -21.631 -5.420 1.00 0.00 H new ATOM 0 HD2 LYS A -2 1.158 -23.248 -3.860 1.00 0.00 H new ATOM 0 HD3 LYS A -2 1.224 -22.005 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -1.396 -21.782 -3.617 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -1.105 -23.510 -3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -1.980 -22.803 -1.517 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -0.402 -23.402 -1.328 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -0.684 -21.728 -1.301 1.00 0.00 H new ATOM 72 N ALA A -1 -1.347 -18.070 -4.439 1.00 0.00 N ATOM 73 CA ALA A -1 -2.439 -17.361 -3.794 1.00 0.00 C ATOM 74 C ALA A -1 -3.040 -18.245 -2.699 1.00 0.00 C ATOM 75 O ALA A -1 -2.922 -19.468 -2.750 1.00 0.00 O ATOM 76 CB ALA A -1 -3.473 -16.952 -4.845 1.00 0.00 C ATOM 0 H ALA A -1 -1.626 -18.664 -5.220 1.00 0.00 H new ATOM 0 HA ALA A -1 -2.077 -16.449 -3.320 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -4.292 -16.420 -4.362 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -3.004 -16.302 -5.583 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -3.860 -17.842 -5.340 1.00 0.00 H new ATOM 82 N GLY A 1 -3.670 -17.591 -1.734 1.00 0.00 N ATOM 83 CA GLY A 1 -4.289 -18.303 -0.629 1.00 0.00 C ATOM 84 C GLY A 1 -4.729 -17.332 0.469 1.00 0.00 C ATOM 85 O GLY A 1 -4.132 -17.293 1.544 1.00 0.00 O ATOM 0 H GLY A 1 -3.765 -16.576 -1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.151 -18.864 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.586 -19.028 -0.219 1.00 0.00 H new ATOM 89 N SER A 2 -5.770 -16.573 0.161 1.00 0.00 N ATOM 90 CA SER A 2 -6.298 -15.606 1.108 1.00 0.00 C ATOM 91 C SER A 2 -7.810 -15.785 1.252 1.00 0.00 C ATOM 92 O SER A 2 -8.288 -16.254 2.284 1.00 0.00 O ATOM 93 CB SER A 2 -5.972 -14.175 0.674 1.00 0.00 C ATOM 94 OG SER A 2 -5.797 -13.306 1.789 1.00 0.00 O ATOM 0 H SER A 2 -6.262 -16.608 -0.732 1.00 0.00 H new ATOM 0 HA SER A 2 -5.825 -15.781 2.074 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.065 -14.177 0.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.775 -13.796 0.042 1.00 0.00 H new ATOM 0 HG SER A 2 -6.673 -13.017 2.119 1.00 0.00 H new ATOM 100 N ALA A 3 -8.522 -15.402 0.202 1.00 0.00 N ATOM 101 CA ALA A 3 -9.970 -15.515 0.199 1.00 0.00 C ATOM 102 C ALA A 3 -10.511 -15.125 1.576 1.00 0.00 C ATOM 103 O ALA A 3 -9.856 -14.399 2.321 1.00 0.00 O ATOM 104 CB ALA A 3 -10.371 -16.935 -0.205 1.00 0.00 C ATOM 0 H ALA A 3 -8.123 -15.013 -0.652 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.406 -14.833 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.458 -17.019 -0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -9.988 -17.151 -1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -9.953 -17.647 0.506 1.00 0.00 H new ATOM 110 N LYS A 4 -11.702 -15.626 1.872 1.00 0.00 N ATOM 111 CA LYS A 4 -12.338 -15.339 3.146 1.00 0.00 C ATOM 112 C LYS A 4 -11.545 -16.010 4.270 1.00 0.00 C ATOM 113 O LYS A 4 -11.995 -16.999 4.847 1.00 0.00 O ATOM 114 CB LYS A 4 -13.814 -15.742 3.110 1.00 0.00 C ATOM 115 CG LYS A 4 -14.670 -14.633 2.494 1.00 0.00 C ATOM 116 CD LYS A 4 -15.106 -15.003 1.074 1.00 0.00 C ATOM 117 CE LYS A 4 -16.611 -15.274 1.016 1.00 0.00 C ATOM 118 NZ LYS A 4 -17.199 -14.671 -0.200 1.00 0.00 N ATOM 0 H LYS A 4 -12.242 -16.229 1.251 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.328 -14.267 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -13.930 -16.659 2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.161 -15.955 4.121 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.549 -14.460 3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.105 -13.701 2.474 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.852 -14.194 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.561 -15.886 0.741 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.794 -16.349 1.021 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -17.095 -14.864 1.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -18.221 -14.864 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.041 -13.643 -0.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.749 -15.081 -1.043 1.00 0.00 H new ATOM 132 N LYS A 5 -10.379 -15.445 4.546 1.00 0.00 N ATOM 133 CA LYS A 5 -9.519 -15.976 5.590 1.00 0.00 C ATOM 134 C LYS A 5 -8.364 -15.003 5.837 1.00 0.00 C ATOM 135 O LYS A 5 -7.989 -14.758 6.982 1.00 0.00 O ATOM 136 CB LYS A 5 -9.065 -17.394 5.240 1.00 0.00 C ATOM 137 CG LYS A 5 -8.156 -17.964 6.332 1.00 0.00 C ATOM 138 CD LYS A 5 -7.517 -19.279 5.882 1.00 0.00 C ATOM 139 CE LYS A 5 -7.165 -20.157 7.085 1.00 0.00 C ATOM 140 NZ LYS A 5 -6.638 -21.465 6.635 1.00 0.00 N ATOM 0 H LYS A 5 -10.010 -14.625 4.065 1.00 0.00 H new ATOM 0 HA LYS A 5 -10.068 -16.064 6.528 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.936 -18.038 5.114 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.534 -17.385 4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.377 -17.242 6.575 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.734 -18.129 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.202 -19.814 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.617 -19.071 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.424 -19.654 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.049 -20.308 7.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.404 -22.049 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.357 -21.950 6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.782 -21.316 6.063 1.00 0.00 H new ATOM 154 N GLY A 6 -7.833 -14.476 4.744 1.00 0.00 N ATOM 155 CA GLY A 6 -6.728 -13.536 4.828 1.00 0.00 C ATOM 156 C GLY A 6 -7.239 -12.098 4.943 1.00 0.00 C ATOM 157 O GLY A 6 -6.560 -11.237 5.500 1.00 0.00 O ATOM 0 H GLY A 6 -8.147 -14.682 3.796 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -6.107 -13.775 5.691 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.096 -13.632 3.945 1.00 0.00 H new ATOM 161 N ALA A 7 -8.432 -11.883 4.408 1.00 0.00 N ATOM 162 CA ALA A 7 -9.042 -10.565 4.444 1.00 0.00 C ATOM 163 C ALA A 7 -8.888 -9.975 5.847 1.00 0.00 C ATOM 164 O ALA A 7 -8.686 -8.772 6.000 1.00 0.00 O ATOM 165 CB ALA A 7 -10.506 -10.668 4.012 1.00 0.00 C ATOM 0 H ALA A 7 -8.992 -12.600 3.947 1.00 0.00 H new ATOM 0 HA ALA A 7 -8.543 -9.892 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.964 -9.679 4.039 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.559 -11.065 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.040 -11.333 4.691 1.00 0.00 H new ATOM 171 N THR A 8 -8.991 -10.850 6.837 1.00 0.00 N ATOM 172 CA THR A 8 -8.866 -10.431 8.223 1.00 0.00 C ATOM 173 C THR A 8 -7.619 -9.564 8.407 1.00 0.00 C ATOM 174 O THR A 8 -7.550 -8.759 9.334 1.00 0.00 O ATOM 175 CB THR A 8 -8.869 -11.685 9.098 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.112 -11.621 9.792 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.819 -11.627 10.209 1.00 0.00 C ATOM 0 H THR A 8 -9.160 -11.847 6.707 1.00 0.00 H new ATOM 0 HA THR A 8 -9.706 -9.805 8.525 1.00 0.00 H new ATOM 0 HB THR A 8 -8.690 -12.562 8.476 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.198 -12.399 10.382 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.864 -12.542 10.800 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.827 -11.529 9.768 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.017 -10.769 10.852 1.00 0.00 H new ATOM 185 N LEU A 9 -6.664 -9.759 7.510 1.00 0.00 N ATOM 186 CA LEU A 9 -5.423 -9.005 7.562 1.00 0.00 C ATOM 187 C LEU A 9 -5.718 -7.527 7.302 1.00 0.00 C ATOM 188 O LEU A 9 -5.737 -6.721 8.231 1.00 0.00 O ATOM 189 CB LEU A 9 -4.391 -9.605 6.604 1.00 0.00 C ATOM 190 CG LEU A 9 -2.934 -9.553 7.069 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.222 -10.878 6.788 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.201 -8.364 6.444 1.00 0.00 C ATOM 0 H LEU A 9 -6.724 -10.428 6.743 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.978 -9.071 8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.656 -10.646 6.421 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.466 -9.085 5.649 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.925 -9.405 8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.188 -10.815 7.128 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.730 -11.684 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.240 -11.081 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.168 -8.350 6.791 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.218 -8.456 5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.694 -7.437 6.737 1.00 0.00 H new ATOM 204 N PHE A 10 -5.940 -7.215 6.033 1.00 0.00 N ATOM 205 CA PHE A 10 -6.233 -5.847 5.639 1.00 0.00 C ATOM 206 C PHE A 10 -7.203 -5.189 6.622 1.00 0.00 C ATOM 207 O PHE A 10 -7.070 -4.007 6.934 1.00 0.00 O ATOM 208 CB PHE A 10 -6.889 -5.911 4.259 1.00 0.00 C ATOM 209 CG PHE A 10 -7.023 -4.551 3.570 1.00 0.00 C ATOM 210 CD1 PHE A 10 -5.909 -3.867 3.194 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.255 -4.026 3.335 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.033 -2.604 2.555 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.379 -2.764 2.696 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.266 -2.080 2.320 1.00 0.00 C ATOM 0 H PHE A 10 -5.923 -7.886 5.265 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.316 -5.258 5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.305 -6.574 3.621 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.879 -6.355 4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.930 -4.284 3.381 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.139 -4.569 3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.149 -2.060 2.256 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.358 -2.348 2.509 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.361 -1.120 1.834 1.00 0.00 H new ATOM 224 N LYS A 11 -8.158 -5.984 7.083 1.00 0.00 N ATOM 225 CA LYS A 11 -9.151 -5.494 8.024 1.00 0.00 C ATOM 226 C LYS A 11 -8.466 -4.602 9.062 1.00 0.00 C ATOM 227 O LYS A 11 -9.017 -3.580 9.468 1.00 0.00 O ATOM 228 CB LYS A 11 -9.933 -6.659 8.634 1.00 0.00 C ATOM 229 CG LYS A 11 -10.925 -6.162 9.687 1.00 0.00 C ATOM 230 CD LYS A 11 -12.321 -5.988 9.085 1.00 0.00 C ATOM 231 CE LYS A 11 -13.385 -6.637 9.972 1.00 0.00 C ATOM 232 NZ LYS A 11 -13.666 -8.018 9.520 1.00 0.00 N ATOM 0 H LYS A 11 -8.265 -6.964 6.822 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.891 -4.879 7.512 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.468 -7.193 7.849 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.241 -7.368 9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.967 -6.870 10.515 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.581 -5.213 10.097 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.540 -4.927 8.966 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.350 -6.433 8.091 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.045 -6.649 11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.300 -6.046 9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.390 -8.443 10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.011 -7.999 8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.795 -8.584 9.570 1.00 0.00 H new ATOM 246 N THR A 12 -7.275 -5.022 9.463 1.00 0.00 N ATOM 247 CA THR A 12 -6.510 -4.275 10.446 1.00 0.00 C ATOM 248 C THR A 12 -5.070 -4.080 9.965 1.00 0.00 C ATOM 249 O THR A 12 -4.571 -4.861 9.157 1.00 0.00 O ATOM 250 CB THR A 12 -6.609 -5.012 11.783 1.00 0.00 C ATOM 251 OG1 THR A 12 -6.111 -6.316 11.498 1.00 0.00 O ATOM 252 CG2 THR A 12 -8.058 -5.252 12.212 1.00 0.00 C ATOM 0 H THR A 12 -6.821 -5.870 9.125 1.00 0.00 H new ATOM 0 HA THR A 12 -6.914 -3.272 10.581 1.00 0.00 H new ATOM 0 HB THR A 12 -6.092 -4.439 12.553 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.138 -6.862 12.312 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.072 -5.778 13.167 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.570 -4.295 12.317 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.566 -5.854 11.458 1.00 0.00 H new ATOM 260 N ARG A 13 -4.444 -3.034 10.483 1.00 0.00 N ATOM 261 CA ARG A 13 -3.071 -2.727 10.117 1.00 0.00 C ATOM 262 C ARG A 13 -3.022 -2.098 8.723 1.00 0.00 C ATOM 263 O ARG A 13 -1.946 -1.928 8.152 1.00 0.00 O ATOM 264 CB ARG A 13 -2.202 -3.986 10.132 1.00 0.00 C ATOM 265 CG ARG A 13 -2.475 -4.826 11.381 1.00 0.00 C ATOM 266 CD ARG A 13 -1.560 -4.408 12.533 1.00 0.00 C ATOM 267 NE ARG A 13 -1.117 -5.602 13.287 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.291 -5.562 14.341 1.00 0.00 C ATOM 269 NH1 ARG A 13 0.187 -4.387 14.773 1.00 0.00 N ATOM 270 NH2 ARG A 13 0.057 -6.697 14.963 1.00 0.00 N ATOM 0 H ARG A 13 -4.862 -2.388 11.153 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.681 -2.022 10.852 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.400 -4.580 9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.149 -3.706 10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.517 -4.712 11.680 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.322 -5.881 11.155 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.694 -3.871 12.144 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.088 -3.723 13.197 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.462 -6.513 12.985 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.078 -3.523 14.299 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.816 -4.356 15.575 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.307 -7.591 14.634 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.686 -6.667 15.765 1.00 0.00 H new ATOM 284 N CYS A 14 -4.201 -1.768 8.215 1.00 0.00 N ATOM 285 CA CYS A 14 -4.306 -1.162 6.899 1.00 0.00 C ATOM 286 C CYS A 14 -5.550 -0.272 6.878 1.00 0.00 C ATOM 287 O CYS A 14 -5.448 0.941 6.701 1.00 0.00 O ATOM 288 CB CYS A 14 -4.339 -2.216 5.791 1.00 0.00 C ATOM 289 SG CYS A 14 -2.972 -3.431 5.847 1.00 0.00 S ATOM 0 H CYS A 14 -5.092 -1.909 8.692 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.422 -0.554 6.704 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.286 -2.753 5.848 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.317 -1.709 4.826 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.112 -3.075 6.755 1.00 0.00 H new ATOM 294 N LEU A 15 -6.697 -0.909 7.061 1.00 0.00 N ATOM 295 CA LEU A 15 -7.960 -0.191 7.065 1.00 0.00 C ATOM 296 C LEU A 15 -7.835 1.047 7.955 1.00 0.00 C ATOM 297 O LEU A 15 -8.368 2.107 7.629 1.00 0.00 O ATOM 298 CB LEU A 15 -9.105 -1.123 7.467 1.00 0.00 C ATOM 299 CG LEU A 15 -10.303 -1.162 6.516 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.861 -1.499 5.091 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.377 -2.126 7.026 1.00 0.00 C ATOM 0 H LEU A 15 -6.778 -1.915 7.208 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.202 0.160 6.062 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.708 -2.134 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.459 -0.826 8.454 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.749 -0.168 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.732 -1.520 4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.160 -0.742 4.739 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.376 -2.475 5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.217 -2.135 6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.959 -3.130 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.721 -1.801 8.008 1.00 0.00 H new ATOM 313 N GLN A 16 -7.126 0.873 9.061 1.00 0.00 N ATOM 314 CA GLN A 16 -6.924 1.964 9.999 1.00 0.00 C ATOM 315 C GLN A 16 -6.411 3.206 9.268 1.00 0.00 C ATOM 316 O GLN A 16 -6.566 4.325 9.754 1.00 0.00 O ATOM 317 CB GLN A 16 -5.966 1.552 11.119 1.00 0.00 C ATOM 318 CG GLN A 16 -4.546 1.361 10.583 1.00 0.00 C ATOM 319 CD GLN A 16 -3.557 1.120 11.725 1.00 0.00 C ATOM 320 OE1 GLN A 16 -2.980 0.054 11.867 1.00 0.00 O ATOM 321 NE2 GLN A 16 -3.393 2.167 12.529 1.00 0.00 N ATOM 0 H GLN A 16 -6.685 -0.007 9.328 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.883 2.207 10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.965 2.313 11.900 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.313 0.626 11.577 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.524 0.517 9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.245 2.243 10.017 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.907 3.030 12.353 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -2.753 2.107 13.321 1.00 0.00 H new ATOM 330 N CYS A 17 -5.811 2.966 8.111 1.00 0.00 N ATOM 331 CA CYS A 17 -5.274 4.051 7.308 1.00 0.00 C ATOM 332 C CYS A 17 -6.085 4.137 6.013 1.00 0.00 C ATOM 333 O CYS A 17 -6.734 5.106 5.608 1.00 0.00 O ATOM 334 CB CYS A 17 -3.780 3.868 7.034 1.00 0.00 C ATOM 335 SG CYS A 17 -2.731 3.782 8.531 1.00 0.00 S ATOM 0 H CYS A 17 -5.685 2.036 7.711 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.363 4.989 7.855 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.640 2.954 6.456 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.435 4.694 6.412 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.489 3.624 8.182 1.00 0.00 H new ATOM 340 N HIS A 18 -6.069 2.994 5.238 1.00 0.00 N ATOM 341 CA HIS A 18 -6.465 2.970 3.816 1.00 0.00 C ATOM 342 C HIS A 18 -7.824 2.344 3.535 1.00 0.00 C ATOM 343 O HIS A 18 -8.315 1.426 4.191 1.00 0.00 O ATOM 344 CB HIS A 18 -5.497 2.097 3.005 1.00 0.00 C ATOM 345 CG HIS A 18 -4.039 2.450 2.876 1.00 0.00 C ATOM 346 ND1 HIS A 18 -3.576 3.338 1.972 1.00 0.00 N ATOM 347 CD2 HIS A 18 -2.936 1.943 3.534 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.334 3.426 2.085 1.00 0.00 C ATOM 349 NE2 HIS A 18 -1.844 2.553 3.017 1.00 0.00 N ATOM 0 H HIS A 18 -5.781 2.083 5.596 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.472 4.025 3.542 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.544 1.094 3.429 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.898 2.034 1.994 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.148 3.855 1.304 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.943 1.198 4.316 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.722 4.109 1.515 1.00 0.00 H new ATOM 357 N THR A 19 -8.412 2.926 2.500 1.00 0.00 N ATOM 358 CA THR A 19 -9.728 2.503 2.053 1.00 0.00 C ATOM 359 C THR A 19 -9.630 1.801 0.697 1.00 0.00 C ATOM 360 O THR A 19 -9.495 2.454 -0.336 1.00 0.00 O ATOM 361 CB THR A 19 -10.639 3.732 2.036 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.136 4.522 0.962 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.451 4.618 3.270 1.00 0.00 C ATOM 0 H THR A 19 -8.001 3.687 1.958 1.00 0.00 H new ATOM 0 HA THR A 19 -10.160 1.769 2.734 1.00 0.00 H new ATOM 0 HB THR A 19 -11.679 3.412 1.974 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.545 3.976 0.403 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.121 5.476 3.208 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.679 4.044 4.168 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.419 4.966 3.314 1.00 0.00 H new ATOM 371 N VAL A 20 -9.704 0.479 0.745 1.00 0.00 N ATOM 372 CA VAL A 20 -9.625 -0.319 -0.467 1.00 0.00 C ATOM 373 C VAL A 20 -10.616 0.226 -1.497 1.00 0.00 C ATOM 374 O VAL A 20 -10.269 0.404 -2.663 1.00 0.00 O ATOM 375 CB VAL A 20 -9.857 -1.795 -0.137 1.00 0.00 C ATOM 376 CG1 VAL A 20 -11.200 -1.995 0.569 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.766 -2.659 -1.396 1.00 0.00 C ATOM 0 H VAL A 20 -9.818 -0.059 1.604 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.630 -0.250 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.069 -2.113 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.340 -3.053 0.792 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.212 -1.424 1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.006 -1.651 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.935 -3.703 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.522 -2.338 -2.113 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.776 -2.552 -1.840 1.00 0.00 H new ATOM 387 N GLU A 21 -11.830 0.476 -1.028 1.00 0.00 N ATOM 388 CA GLU A 21 -12.873 0.998 -1.894 1.00 0.00 C ATOM 389 C GLU A 21 -12.363 2.216 -2.666 1.00 0.00 C ATOM 390 O GLU A 21 -11.333 2.790 -2.316 1.00 0.00 O ATOM 391 CB GLU A 21 -14.130 1.343 -1.092 1.00 0.00 C ATOM 392 CG GLU A 21 -13.766 1.863 0.300 1.00 0.00 C ATOM 393 CD GLU A 21 -14.863 2.779 0.846 1.00 0.00 C ATOM 394 OE1 GLU A 21 -15.975 2.257 1.077 1.00 0.00 O ATOM 395 OE2 GLU A 21 -14.564 3.980 1.022 1.00 0.00 O ATOM 0 H GLU A 21 -12.114 0.327 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.142 0.224 -2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.711 2.096 -1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.761 0.459 -1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.617 1.023 0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.822 2.407 0.254 1.00 0.00 H new ATOM 402 N LYS A 22 -13.108 2.576 -3.701 1.00 0.00 N ATOM 403 CA LYS A 22 -12.743 3.716 -4.525 1.00 0.00 C ATOM 404 C LYS A 22 -13.376 4.982 -3.944 1.00 0.00 C ATOM 405 O LYS A 22 -14.084 4.922 -2.940 1.00 0.00 O ATOM 406 CB LYS A 22 -13.113 3.460 -5.988 1.00 0.00 C ATOM 407 CG LYS A 22 -12.010 3.955 -6.926 1.00 0.00 C ATOM 408 CD LYS A 22 -12.237 3.451 -8.353 1.00 0.00 C ATOM 409 CE LYS A 22 -12.827 4.552 -9.236 1.00 0.00 C ATOM 410 NZ LYS A 22 -14.245 4.264 -9.546 1.00 0.00 N ATOM 0 H LYS A 22 -13.962 2.098 -3.988 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.663 3.864 -4.514 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.277 2.394 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.050 3.965 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.985 5.045 -6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.040 3.612 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.293 3.108 -8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.910 2.593 -8.337 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.748 5.514 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.255 4.630 -10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.630 5.021 -10.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.313 3.356 -10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.790 4.212 -8.662 1.00 0.00 H new ATOM 424 N GLY A 23 -13.096 6.099 -4.599 1.00 0.00 N ATOM 425 CA GLY A 23 -13.629 7.378 -4.160 1.00 0.00 C ATOM 426 C GLY A 23 -13.599 7.489 -2.634 1.00 0.00 C ATOM 427 O GLY A 23 -14.623 7.761 -2.008 1.00 0.00 O ATOM 0 H GLY A 23 -12.507 6.145 -5.430 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.047 8.189 -4.599 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.653 7.491 -4.517 1.00 0.00 H new ATOM 431 N GLY A 24 -12.416 7.273 -2.080 1.00 0.00 N ATOM 432 CA GLY A 24 -12.239 7.346 -0.640 1.00 0.00 C ATOM 433 C GLY A 24 -11.827 8.755 -0.208 1.00 0.00 C ATOM 434 O GLY A 24 -11.148 9.461 -0.951 1.00 0.00 O ATOM 0 H GLY A 24 -11.570 7.047 -2.603 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.167 7.066 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.480 6.629 -0.327 1.00 0.00 H new ATOM 438 N PRO A 25 -12.267 9.130 1.023 1.00 0.00 N ATOM 439 CA PRO A 25 -11.951 10.442 1.562 1.00 0.00 C ATOM 440 C PRO A 25 -10.494 10.508 2.024 1.00 0.00 C ATOM 441 O PRO A 25 -9.980 11.587 2.316 1.00 0.00 O ATOM 442 CB PRO A 25 -12.943 10.651 2.694 1.00 0.00 C ATOM 443 CG PRO A 25 -13.468 9.269 3.049 1.00 0.00 C ATOM 444 CD PRO A 25 -13.073 8.319 1.930 1.00 0.00 C ATOM 0 HA PRO A 25 -12.041 11.235 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.462 11.119 3.553 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.755 11.310 2.385 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.051 8.935 3.999 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.551 9.291 3.167 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -12.506 7.471 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.951 7.914 1.426 1.00 0.00 H new ATOM 452 N HIS A 26 -9.869 9.341 2.077 1.00 0.00 N ATOM 453 CA HIS A 26 -8.482 9.253 2.498 1.00 0.00 C ATOM 454 C HIS A 26 -8.382 9.542 3.997 1.00 0.00 C ATOM 455 O HIS A 26 -8.976 10.500 4.490 1.00 0.00 O ATOM 456 CB HIS A 26 -7.598 10.176 1.656 1.00 0.00 C ATOM 457 CG HIS A 26 -7.921 10.156 0.181 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.612 9.086 -0.640 1.00 0.00 N ATOM 459 CD2 HIS A 26 -8.528 11.086 -0.611 1.00 0.00 C ATOM 460 CE1 HIS A 26 -8.019 9.370 -1.868 1.00 0.00 C ATOM 461 NE2 HIS A 26 -8.586 10.610 -1.848 1.00 0.00 N ATOM 0 H HIS A 26 -10.298 8.448 1.835 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.112 8.241 2.332 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.699 11.196 2.026 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.556 9.889 1.793 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.899 12.047 -0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.919 8.732 -2.733 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -8.988 11.092 -2.652 1.00 0.00 H new ATOM 469 N LYS A 27 -7.625 8.697 4.681 1.00 0.00 N ATOM 470 CA LYS A 27 -7.439 8.849 6.114 1.00 0.00 C ATOM 471 C LYS A 27 -5.959 9.103 6.408 1.00 0.00 C ATOM 472 O LYS A 27 -5.489 10.236 6.316 1.00 0.00 O ATOM 473 CB LYS A 27 -8.017 7.646 6.861 1.00 0.00 C ATOM 474 CG LYS A 27 -9.433 7.939 7.361 1.00 0.00 C ATOM 475 CD LYS A 27 -10.284 6.667 7.374 1.00 0.00 C ATOM 476 CE LYS A 27 -11.093 6.562 8.668 1.00 0.00 C ATOM 477 NZ LYS A 27 -10.191 6.408 9.832 1.00 0.00 N ATOM 0 H LYS A 27 -7.133 7.904 4.269 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.990 9.715 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.033 6.778 6.202 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.374 7.394 7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.388 8.361 8.365 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.901 8.687 6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.959 6.668 6.518 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.640 5.793 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.708 7.453 8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.772 5.711 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.670 5.855 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.325 5.914 9.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.944 7.346 10.206 1.00 0.00 H new ATOM 491 N VAL A 28 -5.266 8.029 6.757 1.00 0.00 N ATOM 492 CA VAL A 28 -3.849 8.121 7.065 1.00 0.00 C ATOM 493 C VAL A 28 -3.038 7.914 5.784 1.00 0.00 C ATOM 494 O VAL A 28 -1.898 8.364 5.687 1.00 0.00 O ATOM 495 CB VAL A 28 -3.488 7.124 8.168 1.00 0.00 C ATOM 496 CG1 VAL A 28 -1.981 7.124 8.435 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.272 7.416 9.449 1.00 0.00 C ATOM 0 H VAL A 28 -5.659 7.091 6.833 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.605 9.112 7.448 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.767 6.128 7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.751 6.407 9.223 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.450 6.845 7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.667 8.120 8.748 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.997 6.693 10.217 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.038 8.422 9.797 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.340 7.341 9.247 1.00 0.00 H new ATOM 507 N GLY A 29 -3.659 7.233 4.832 1.00 0.00 N ATOM 508 CA GLY A 29 -3.010 6.962 3.561 1.00 0.00 C ATOM 509 C GLY A 29 -3.993 7.117 2.399 1.00 0.00 C ATOM 510 O GLY A 29 -5.201 7.211 2.611 1.00 0.00 O ATOM 0 H GLY A 29 -4.605 6.861 4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.170 7.643 3.425 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.603 5.951 3.565 1.00 0.00 H new ATOM 514 N PRO A 30 -3.424 7.139 1.164 1.00 0.00 N ATOM 515 CA PRO A 30 -4.236 7.282 -0.032 1.00 0.00 C ATOM 516 C PRO A 30 -4.969 5.978 -0.356 1.00 0.00 C ATOM 517 O PRO A 30 -4.602 4.915 0.143 1.00 0.00 O ATOM 518 CB PRO A 30 -3.263 7.702 -1.121 1.00 0.00 C ATOM 519 CG PRO A 30 -1.881 7.330 -0.611 1.00 0.00 C ATOM 520 CD PRO A 30 -1.997 7.030 0.874 1.00 0.00 C ATOM 0 HA PRO A 30 -5.027 8.023 0.083 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.483 7.193 -2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.333 8.772 -1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.497 6.462 -1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.179 8.146 -0.782 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.620 6.034 1.107 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.417 7.737 1.467 1.00 0.00 H new ATOM 528 N ASN A 31 -5.992 6.102 -1.189 1.00 0.00 N ATOM 529 CA ASN A 31 -6.779 4.947 -1.585 1.00 0.00 C ATOM 530 C ASN A 31 -5.878 3.945 -2.309 1.00 0.00 C ATOM 531 O ASN A 31 -4.922 4.334 -2.978 1.00 0.00 O ATOM 532 CB ASN A 31 -7.904 5.349 -2.542 1.00 0.00 C ATOM 533 CG ASN A 31 -9.098 4.402 -2.412 1.00 0.00 C ATOM 534 OD1 ASN A 31 -9.019 3.218 -2.694 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.207 4.988 -1.969 1.00 0.00 N ATOM 0 H ASN A 31 -6.294 6.985 -1.601 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.210 4.508 -0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.220 6.370 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.536 5.337 -3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.059 4.441 -1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.205 5.984 -1.751 1.00 0.00 H new ATOM 542 N LEU A 32 -6.214 2.673 -2.150 1.00 0.00 N ATOM 543 CA LEU A 32 -5.447 1.612 -2.780 1.00 0.00 C ATOM 544 C LEU A 32 -6.336 0.871 -3.781 1.00 0.00 C ATOM 545 O LEU A 32 -6.183 -0.333 -3.980 1.00 0.00 O ATOM 546 CB LEU A 32 -4.822 0.701 -1.721 1.00 0.00 C ATOM 547 CG LEU A 32 -4.121 1.407 -0.559 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.860 0.437 0.595 1.00 0.00 C ATOM 549 CD2 LEU A 32 -2.839 2.097 -1.029 1.00 0.00 C ATOM 0 H LEU A 32 -7.007 2.353 -1.594 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.611 2.029 -3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.605 0.061 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.100 0.048 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.785 2.185 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.361 0.964 1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.807 0.033 0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.226 -0.379 0.248 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.361 2.591 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.159 1.355 -1.448 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.083 2.837 -1.791 1.00 0.00 H new ATOM 561 N HIS A 33 -7.246 1.622 -4.384 1.00 0.00 N ATOM 562 CA HIS A 33 -8.160 1.051 -5.359 1.00 0.00 C ATOM 563 C HIS A 33 -7.391 0.687 -6.631 1.00 0.00 C ATOM 564 O HIS A 33 -6.905 1.567 -7.341 1.00 0.00 O ATOM 565 CB HIS A 33 -9.331 1.999 -5.625 1.00 0.00 C ATOM 566 CG HIS A 33 -10.585 1.306 -6.103 1.00 0.00 C ATOM 567 ND1 HIS A 33 -10.901 1.168 -7.444 1.00 0.00 N ATOM 568 CD2 HIS A 33 -11.597 0.713 -5.406 1.00 0.00 C ATOM 569 CE1 HIS A 33 -12.054 0.521 -7.537 1.00 0.00 C ATOM 570 NE2 HIS A 33 -12.483 0.241 -6.274 1.00 0.00 N ATOM 0 H HIS A 33 -7.370 2.620 -4.216 1.00 0.00 H new ATOM 0 HA HIS A 33 -8.594 0.133 -4.963 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.557 2.547 -4.710 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.028 2.734 -6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.665 0.640 -4.331 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -12.564 0.261 -8.453 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -13.344 -0.251 -6.035 1.00 0.00 H new ATOM 578 N GLY A 34 -7.305 -0.611 -6.881 1.00 0.00 N ATOM 579 CA GLY A 34 -6.604 -1.102 -8.055 1.00 0.00 C ATOM 580 C GLY A 34 -5.259 -0.394 -8.226 1.00 0.00 C ATOM 581 O GLY A 34 -5.175 0.631 -8.901 1.00 0.00 O ATOM 0 H GLY A 34 -7.709 -1.338 -6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.445 -2.177 -7.965 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.218 -0.944 -8.942 1.00 0.00 H new ATOM 585 N ILE A 35 -4.240 -0.968 -7.604 1.00 0.00 N ATOM 586 CA ILE A 35 -2.903 -0.405 -7.680 1.00 0.00 C ATOM 587 C ILE A 35 -2.001 -1.347 -8.480 1.00 0.00 C ATOM 588 O ILE A 35 -1.086 -0.899 -9.169 1.00 0.00 O ATOM 589 CB ILE A 35 -2.374 -0.090 -6.279 1.00 0.00 C ATOM 590 CG1 ILE A 35 -1.890 -1.361 -5.577 1.00 0.00 C ATOM 591 CG2 ILE A 35 -3.422 0.657 -5.452 1.00 0.00 C ATOM 592 CD1 ILE A 35 -3.029 -2.027 -4.803 1.00 0.00 C ATOM 0 H ILE A 35 -4.314 -1.818 -7.045 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.921 0.547 -8.211 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.513 0.570 -6.380 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.490 -2.058 -6.314 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.076 -1.116 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.020 0.868 -4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.677 1.594 -5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.317 0.042 -5.357 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.658 -2.928 -4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.411 -1.336 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.831 -2.292 -5.492 1.00 0.00 H new ATOM 604 N PHE A 36 -2.292 -2.634 -8.363 1.00 0.00 N ATOM 605 CA PHE A 36 -1.519 -3.643 -9.067 1.00 0.00 C ATOM 606 C PHE A 36 -1.622 -3.454 -10.582 1.00 0.00 C ATOM 607 O PHE A 36 -2.305 -4.219 -11.261 1.00 0.00 O ATOM 608 CB PHE A 36 -2.112 -5.003 -8.692 1.00 0.00 C ATOM 609 CG PHE A 36 -1.875 -5.405 -7.235 1.00 0.00 C ATOM 610 CD1 PHE A 36 -0.607 -5.528 -6.761 1.00 0.00 C ATOM 611 CD2 PHE A 36 -2.934 -5.639 -6.414 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.387 -5.901 -5.408 1.00 0.00 C ATOM 613 CE2 PHE A 36 -2.715 -6.012 -5.062 1.00 0.00 C ATOM 614 CZ PHE A 36 -1.446 -6.135 -4.587 1.00 0.00 C ATOM 0 H PHE A 36 -3.053 -3.001 -7.791 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.468 -3.568 -8.789 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.185 -4.985 -8.883 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.685 -5.766 -9.343 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.234 -5.342 -7.413 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.941 -5.541 -6.791 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.621 -5.999 -5.031 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.556 -6.198 -4.410 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.280 -6.418 -3.558 1.00 0.00 H new ATOM 624 N GLY A 37 -0.933 -2.432 -11.067 1.00 0.00 N ATOM 625 CA GLY A 37 -0.938 -2.133 -12.489 1.00 0.00 C ATOM 626 C GLY A 37 -0.601 -0.663 -12.741 1.00 0.00 C ATOM 627 O GLY A 37 -0.153 -0.303 -13.829 1.00 0.00 O ATOM 0 H GLY A 37 -0.367 -1.800 -10.500 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.215 -2.768 -13.000 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.917 -2.363 -12.909 1.00 0.00 H new ATOM 631 N ARG A 38 -0.827 0.148 -11.718 1.00 0.00 N ATOM 632 CA ARG A 38 -0.553 1.571 -11.816 1.00 0.00 C ATOM 633 C ARG A 38 0.846 1.880 -11.277 1.00 0.00 C ATOM 634 O ARG A 38 1.501 1.010 -10.706 1.00 0.00 O ATOM 635 CB ARG A 38 -1.584 2.386 -11.033 1.00 0.00 C ATOM 636 CG ARG A 38 -2.734 2.830 -11.940 1.00 0.00 C ATOM 637 CD ARG A 38 -2.283 3.934 -12.898 1.00 0.00 C ATOM 638 NE ARG A 38 -3.322 4.170 -13.924 1.00 0.00 N ATOM 639 CZ ARG A 38 -4.386 4.966 -13.747 1.00 0.00 C ATOM 640 NH1 ARG A 38 -4.557 5.607 -12.583 1.00 0.00 N ATOM 641 NH2 ARG A 38 -5.278 5.121 -14.735 1.00 0.00 N ATOM 0 H ARG A 38 -1.197 -0.154 -10.817 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.611 1.848 -12.869 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.975 1.789 -10.209 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.104 3.260 -10.593 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.102 1.977 -12.510 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.564 3.189 -11.331 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.093 4.853 -12.343 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.346 3.651 -13.377 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.223 3.697 -14.822 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.878 5.489 -11.831 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.367 6.213 -12.448 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.147 4.633 -15.621 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.088 5.727 -14.601 1.00 0.00 H new ATOM 655 N HIS A 39 1.262 3.122 -11.477 1.00 0.00 N ATOM 656 CA HIS A 39 2.570 3.556 -11.019 1.00 0.00 C ATOM 657 C HIS A 39 2.430 4.279 -9.678 1.00 0.00 C ATOM 658 O HIS A 39 1.378 4.842 -9.379 1.00 0.00 O ATOM 659 CB HIS A 39 3.263 4.410 -12.083 1.00 0.00 C ATOM 660 CG HIS A 39 4.411 3.715 -12.776 1.00 0.00 C ATOM 661 ND1 HIS A 39 4.331 3.252 -14.078 1.00 0.00 N ATOM 662 CD2 HIS A 39 5.665 3.411 -12.335 1.00 0.00 C ATOM 663 CE1 HIS A 39 5.490 2.695 -14.396 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.316 2.794 -13.314 1.00 0.00 N ATOM 0 H HIS A 39 0.716 3.842 -11.950 1.00 0.00 H new ATOM 0 HA HIS A 39 3.210 2.688 -10.860 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.528 4.708 -12.830 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.633 5.323 -11.617 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.061 3.634 -11.356 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.738 2.242 -15.345 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.275 2.451 -13.265 1.00 0.00 H new ATOM 672 N SER A 40 3.506 4.240 -8.906 1.00 0.00 N ATOM 673 CA SER A 40 3.517 4.885 -7.604 1.00 0.00 C ATOM 674 C SER A 40 2.730 6.195 -7.662 1.00 0.00 C ATOM 675 O SER A 40 3.063 7.090 -8.438 1.00 0.00 O ATOM 676 CB SER A 40 4.948 5.146 -7.130 1.00 0.00 C ATOM 677 OG SER A 40 5.636 6.054 -7.985 1.00 0.00 O ATOM 0 H SER A 40 4.377 3.772 -9.157 1.00 0.00 H new ATOM 0 HA SER A 40 3.042 4.215 -6.887 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.927 5.547 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.494 4.203 -7.088 1.00 0.00 H new ATOM 0 HG SER A 40 4.985 6.573 -8.502 1.00 0.00 H new ATOM 683 N GLY A 41 1.700 6.268 -6.831 1.00 0.00 N ATOM 684 CA GLY A 41 0.863 7.454 -6.778 1.00 0.00 C ATOM 685 C GLY A 41 -0.290 7.357 -7.780 1.00 0.00 C ATOM 686 O GLY A 41 -0.072 7.414 -8.989 1.00 0.00 O ATOM 0 H GLY A 41 1.426 5.524 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.465 7.578 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.464 8.337 -6.994 1.00 0.00 H new ATOM 690 N GLN A 42 -1.490 7.212 -7.239 1.00 0.00 N ATOM 691 CA GLN A 42 -2.677 7.106 -8.071 1.00 0.00 C ATOM 692 C GLN A 42 -3.828 7.907 -7.458 1.00 0.00 C ATOM 693 O GLN A 42 -4.996 7.582 -7.666 1.00 0.00 O ATOM 694 CB GLN A 42 -3.076 5.643 -8.274 1.00 0.00 C ATOM 695 CG GLN A 42 -1.850 4.778 -8.575 1.00 0.00 C ATOM 696 CD GLN A 42 -2.160 3.295 -8.361 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.303 2.868 -8.352 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.081 2.536 -8.189 1.00 0.00 N ATOM 0 H GLN A 42 -1.666 7.165 -6.235 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.448 7.526 -9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.577 5.271 -7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.790 5.567 -9.094 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.529 4.941 -9.604 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.023 5.077 -7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.152 2.958 -8.208 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.182 1.532 -8.038 1.00 0.00 H new ATOM 707 N ALA A 43 -3.457 8.939 -6.714 1.00 0.00 N ATOM 708 CA ALA A 43 -4.444 9.789 -6.069 1.00 0.00 C ATOM 709 C ALA A 43 -4.446 11.163 -6.744 1.00 0.00 C ATOM 710 O ALA A 43 -3.394 11.778 -6.911 1.00 0.00 O ATOM 711 CB ALA A 43 -4.143 9.876 -4.572 1.00 0.00 C ATOM 0 H ALA A 43 -2.487 9.206 -6.544 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.443 9.367 -6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.883 10.513 -4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.182 8.878 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.149 10.298 -4.425 1.00 0.00 H new ATOM 717 N GLU A 44 -5.640 11.603 -7.113 1.00 0.00 N ATOM 718 CA GLU A 44 -5.792 12.892 -7.766 1.00 0.00 C ATOM 719 C GLU A 44 -6.544 13.864 -6.853 1.00 0.00 C ATOM 720 O GLU A 44 -7.772 13.932 -6.890 1.00 0.00 O ATOM 721 CB GLU A 44 -6.503 12.744 -9.113 1.00 0.00 C ATOM 722 CG GLU A 44 -5.520 12.326 -10.208 1.00 0.00 C ATOM 723 CD GLU A 44 -5.556 13.308 -11.381 1.00 0.00 C ATOM 724 OE1 GLU A 44 -6.658 13.477 -11.946 1.00 0.00 O ATOM 725 OE2 GLU A 44 -4.480 13.867 -11.686 1.00 0.00 O ATOM 0 H GLU A 44 -6.510 11.090 -6.972 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.799 13.299 -7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.297 12.002 -9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.976 13.688 -9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.511 12.281 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.766 11.324 -10.560 1.00 0.00 H new ATOM 732 N GLY A 45 -5.776 14.590 -6.055 1.00 0.00 N ATOM 733 CA GLY A 45 -6.353 15.555 -5.135 1.00 0.00 C ATOM 734 C GLY A 45 -5.663 15.492 -3.770 1.00 0.00 C ATOM 735 O GLY A 45 -5.309 16.524 -3.202 1.00 0.00 O ATOM 0 H GLY A 45 -4.758 14.529 -6.026 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.258 16.559 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.419 15.358 -5.017 1.00 0.00 H new ATOM 739 N TYR A 46 -5.493 14.271 -3.285 1.00 0.00 N ATOM 740 CA TYR A 46 -4.851 14.061 -1.998 1.00 0.00 C ATOM 741 C TYR A 46 -3.339 14.272 -2.098 1.00 0.00 C ATOM 742 O TYR A 46 -2.671 13.625 -2.903 1.00 0.00 O ATOM 743 CB TYR A 46 -5.127 12.603 -1.623 1.00 0.00 C ATOM 744 CG TYR A 46 -4.597 12.205 -0.244 1.00 0.00 C ATOM 745 CD1 TYR A 46 -3.238 12.078 -0.037 1.00 0.00 C ATOM 746 CD2 TYR A 46 -5.478 11.972 0.793 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.740 11.703 1.261 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.979 11.597 2.091 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.634 11.481 2.260 1.00 0.00 C ATOM 750 OH TYR A 46 -3.163 11.126 3.486 1.00 0.00 O ATOM 0 H TYR A 46 -5.788 13.418 -3.759 1.00 0.00 H new ATOM 0 HA TYR A 46 -5.235 14.763 -1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.203 12.428 -1.652 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.678 11.954 -2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.549 12.260 -0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.541 12.071 0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.679 11.600 1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.657 11.412 2.911 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.915 11.001 4.102 1.00 0.00 H new ATOM 760 N SER A 47 -2.844 15.179 -1.269 1.00 0.00 N ATOM 761 CA SER A 47 -1.424 15.483 -1.254 1.00 0.00 C ATOM 762 C SER A 47 -0.622 14.222 -0.928 1.00 0.00 C ATOM 763 O SER A 47 -0.950 13.499 0.011 1.00 0.00 O ATOM 764 CB SER A 47 -1.108 16.589 -0.245 1.00 0.00 C ATOM 765 OG SER A 47 -1.218 16.131 1.100 1.00 0.00 O ATOM 0 H SER A 47 -3.402 15.713 -0.603 1.00 0.00 H new ATOM 0 HA SER A 47 -1.140 15.840 -2.244 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.099 16.962 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.788 17.426 -0.400 1.00 0.00 H new ATOM 0 HG SER A 47 -1.007 16.865 1.714 1.00 0.00 H new ATOM 771 N TYR A 48 0.415 13.997 -1.722 1.00 0.00 N ATOM 772 CA TYR A 48 1.267 12.835 -1.529 1.00 0.00 C ATOM 773 C TYR A 48 2.630 13.242 -0.966 1.00 0.00 C ATOM 774 O TYR A 48 2.873 14.420 -0.711 1.00 0.00 O ATOM 775 CB TYR A 48 1.463 12.222 -2.917 1.00 0.00 C ATOM 776 CG TYR A 48 0.747 10.884 -3.113 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.621 10.803 -2.952 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.470 9.758 -3.452 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.294 9.544 -3.136 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.796 8.499 -3.636 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.553 8.454 -3.470 1.00 0.00 C ATOM 782 OH TYR A 48 -1.189 7.265 -3.644 1.00 0.00 O ATOM 0 H TYR A 48 0.684 14.599 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 48 0.813 12.138 -0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.106 12.927 -3.668 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.529 12.081 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.187 11.684 -2.688 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.541 9.821 -3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.364 9.467 -3.011 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.350 7.610 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.534 6.575 -3.881 1.00 0.00 H new ATOM 792 N THR A 49 3.483 12.244 -0.790 1.00 0.00 N ATOM 793 CA THR A 49 4.816 12.483 -0.263 1.00 0.00 C ATOM 794 C THR A 49 5.828 12.601 -1.404 1.00 0.00 C ATOM 795 O THR A 49 5.543 12.209 -2.534 1.00 0.00 O ATOM 796 CB THR A 49 5.142 11.361 0.725 1.00 0.00 C ATOM 797 OG1 THR A 49 5.156 10.184 -0.079 1.00 0.00 O ATOM 798 CG2 THR A 49 4.011 11.115 1.726 1.00 0.00 C ATOM 0 H THR A 49 3.277 11.268 -1.003 1.00 0.00 H new ATOM 0 HA THR A 49 4.865 13.431 0.272 1.00 0.00 H new ATOM 0 HB THR A 49 6.057 11.607 1.264 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.362 9.407 0.482 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.294 10.309 2.404 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.828 12.024 2.299 1.00 0.00 H new ATOM 0 HG23 THR A 49 3.104 10.836 1.189 1.00 0.00 H new ATOM 806 N ASP A 50 6.990 13.143 -1.068 1.00 0.00 N ATOM 807 CA ASP A 50 8.046 13.318 -2.051 1.00 0.00 C ATOM 808 C ASP A 50 9.024 12.145 -1.956 1.00 0.00 C ATOM 809 O ASP A 50 10.174 12.255 -2.378 1.00 0.00 O ATOM 810 CB ASP A 50 8.828 14.607 -1.795 1.00 0.00 C ATOM 811 CG ASP A 50 8.704 15.667 -2.891 1.00 0.00 C ATOM 812 OD1 ASP A 50 7.565 15.858 -3.370 1.00 0.00 O ATOM 813 OD2 ASP A 50 9.751 16.264 -3.225 1.00 0.00 O ATOM 0 H ASP A 50 7.223 13.467 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 50 7.584 13.366 -3.037 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.489 15.039 -0.853 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.881 14.356 -1.670 1.00 0.00 H new ATOM 818 N ALA A 51 8.530 11.048 -1.400 1.00 0.00 N ATOM 819 CA ALA A 51 9.346 9.856 -1.245 1.00 0.00 C ATOM 820 C ALA A 51 8.823 8.760 -2.176 1.00 0.00 C ATOM 821 O ALA A 51 9.589 8.164 -2.931 1.00 0.00 O ATOM 822 CB ALA A 51 9.344 9.424 0.223 1.00 0.00 C ATOM 0 H ALA A 51 7.575 10.960 -1.052 1.00 0.00 H new ATOM 0 HA ALA A 51 10.380 10.060 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.956 8.530 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.752 10.226 0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.323 9.208 0.537 1.00 0.00 H new ATOM 828 N ASN A 52 7.521 8.528 -2.091 1.00 0.00 N ATOM 829 CA ASN A 52 6.886 7.515 -2.917 1.00 0.00 C ATOM 830 C ASN A 52 6.947 7.947 -4.384 1.00 0.00 C ATOM 831 O ASN A 52 7.674 7.354 -5.179 1.00 0.00 O ATOM 832 CB ASN A 52 5.415 7.337 -2.537 1.00 0.00 C ATOM 833 CG ASN A 52 4.661 6.558 -3.616 1.00 0.00 C ATOM 834 OD1 ASN A 52 4.310 7.077 -4.663 1.00 0.00 O ATOM 835 ND2 ASN A 52 4.432 5.285 -3.304 1.00 0.00 N ATOM 0 H ASN A 52 6.889 9.024 -1.463 1.00 0.00 H new ATOM 0 HA ASN A 52 7.414 6.574 -2.763 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.343 6.810 -1.585 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.951 8.313 -2.397 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.935 4.681 -3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.753 4.913 -2.410 1.00 0.00 H new ATOM 842 N ILE A 53 6.174 8.976 -4.697 1.00 0.00 N ATOM 843 CA ILE A 53 6.131 9.494 -6.054 1.00 0.00 C ATOM 844 C ILE A 53 7.541 9.476 -6.647 1.00 0.00 C ATOM 845 O ILE A 53 7.712 9.262 -7.846 1.00 0.00 O ATOM 846 CB ILE A 53 5.470 10.873 -6.080 1.00 0.00 C ATOM 847 CG1 ILE A 53 3.949 10.755 -5.966 1.00 0.00 C ATOM 848 CG2 ILE A 53 5.893 11.660 -7.323 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.320 12.103 -5.607 1.00 0.00 C ATOM 0 H ILE A 53 5.572 9.465 -4.034 1.00 0.00 H new ATOM 0 HA ILE A 53 5.511 8.857 -6.686 1.00 0.00 H new ATOM 0 HB ILE A 53 5.815 11.433 -5.211 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.537 10.397 -6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.694 10.017 -5.206 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.409 12.637 -7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.975 11.791 -7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.596 11.113 -8.218 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.238 11.991 -5.532 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.716 12.447 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.557 12.833 -6.381 1.00 0.00 H new ATOM 861 N LYS A 54 8.517 9.703 -5.779 1.00 0.00 N ATOM 862 CA LYS A 54 9.907 9.716 -6.202 1.00 0.00 C ATOM 863 C LYS A 54 10.460 8.290 -6.166 1.00 0.00 C ATOM 864 O LYS A 54 11.554 8.058 -5.654 1.00 0.00 O ATOM 865 CB LYS A 54 10.713 10.710 -5.364 1.00 0.00 C ATOM 866 CG LYS A 54 10.107 12.113 -5.443 1.00 0.00 C ATOM 867 CD LYS A 54 10.648 12.876 -6.654 1.00 0.00 C ATOM 868 CE LYS A 54 10.235 14.348 -6.604 1.00 0.00 C ATOM 869 NZ LYS A 54 11.258 15.150 -5.897 1.00 0.00 N ATOM 0 H LYS A 54 8.372 9.879 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 54 9.989 10.064 -7.232 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.738 10.379 -4.326 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.744 10.735 -5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.021 12.041 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.335 12.663 -4.530 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.735 12.800 -6.680 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.275 12.421 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.102 14.729 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.275 14.445 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.818 15.645 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.009 14.523 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.667 15.847 -6.552 1.00 0.00 H new ATOM 883 N LYS A 55 9.678 7.372 -6.715 1.00 0.00 N ATOM 884 CA LYS A 55 10.075 5.975 -6.752 1.00 0.00 C ATOM 885 C LYS A 55 9.649 5.363 -8.088 1.00 0.00 C ATOM 886 O LYS A 55 10.438 4.684 -8.744 1.00 0.00 O ATOM 887 CB LYS A 55 9.529 5.230 -5.532 1.00 0.00 C ATOM 888 CG LYS A 55 10.474 4.104 -5.109 1.00 0.00 C ATOM 889 CD LYS A 55 11.749 4.665 -4.477 1.00 0.00 C ATOM 890 CE LYS A 55 12.878 4.754 -5.505 1.00 0.00 C ATOM 891 NZ LYS A 55 14.080 4.040 -5.017 1.00 0.00 N ATOM 0 H LYS A 55 8.771 7.569 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 55 11.160 5.886 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.396 5.928 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.547 4.818 -5.763 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.970 3.449 -4.398 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.731 3.496 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.550 5.654 -4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.058 4.029 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.551 4.323 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.121 5.799 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.889 4.263 -5.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.291 4.340 -4.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.905 3.015 -5.033 1.00 0.00 H new ATOM 905 N ASN A 56 8.402 5.625 -8.452 1.00 0.00 N ATOM 906 CA ASN A 56 7.862 5.108 -9.697 1.00 0.00 C ATOM 907 C ASN A 56 7.984 3.583 -9.708 1.00 0.00 C ATOM 908 O ASN A 56 8.949 3.038 -10.242 1.00 0.00 O ATOM 909 CB ASN A 56 8.634 5.653 -10.901 1.00 0.00 C ATOM 910 CG ASN A 56 7.719 5.805 -12.117 1.00 0.00 C ATOM 911 OD1 ASN A 56 7.863 5.130 -13.123 1.00 0.00 O ATOM 912 ND2 ASN A 56 6.772 6.727 -11.969 1.00 0.00 N ATOM 0 H ASN A 56 7.750 6.189 -7.906 1.00 0.00 H new ATOM 0 HA ASN A 56 6.819 5.418 -9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.073 6.618 -10.649 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.458 4.982 -11.143 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.110 6.904 -12.725 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.708 7.257 -11.100 1.00 0.00 H new ATOM 919 N VAL A 57 6.993 2.938 -9.112 1.00 0.00 N ATOM 920 CA VAL A 57 6.977 1.486 -9.045 1.00 0.00 C ATOM 921 C VAL A 57 5.617 0.973 -9.522 1.00 0.00 C ATOM 922 O VAL A 57 4.640 1.008 -8.776 1.00 0.00 O ATOM 923 CB VAL A 57 7.328 1.023 -7.630 1.00 0.00 C ATOM 924 CG1 VAL A 57 8.759 0.484 -7.569 1.00 0.00 C ATOM 925 CG2 VAL A 57 7.124 2.152 -6.617 1.00 0.00 C ATOM 0 H VAL A 57 6.194 3.394 -8.671 1.00 0.00 H new ATOM 0 HA VAL A 57 7.734 1.065 -9.707 1.00 0.00 H new ATOM 0 HB VAL A 57 6.652 0.210 -7.366 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.983 0.162 -6.552 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.858 -0.363 -8.248 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.456 1.269 -7.863 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.381 1.796 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.764 2.995 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.082 2.470 -6.632 1.00 0.00 H new ATOM 935 N LEU A 58 5.597 0.508 -10.763 1.00 0.00 N ATOM 936 CA LEU A 58 4.373 -0.012 -11.348 1.00 0.00 C ATOM 937 C LEU A 58 3.917 -1.240 -10.557 1.00 0.00 C ATOM 938 O LEU A 58 4.119 -2.373 -10.992 1.00 0.00 O ATOM 939 CB LEU A 58 4.565 -0.279 -12.842 1.00 0.00 C ATOM 940 CG LEU A 58 3.285 -0.472 -13.659 1.00 0.00 C ATOM 941 CD1 LEU A 58 2.951 0.788 -14.459 1.00 0.00 C ATOM 942 CD2 LEU A 58 3.387 -1.709 -14.553 1.00 0.00 C ATOM 0 H LEU A 58 6.409 0.481 -11.379 1.00 0.00 H new ATOM 0 HA LEU A 58 3.574 0.726 -11.280 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.124 0.553 -13.271 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.183 -1.170 -12.955 1.00 0.00 H new ATOM 0 HG LEU A 58 2.460 -0.642 -12.967 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.037 0.625 -15.031 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.807 1.625 -13.776 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.770 1.014 -15.141 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.465 -1.823 -15.123 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.226 -1.594 -15.240 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.543 -2.593 -13.935 1.00 0.00 H new ATOM 954 N TRP A 59 3.310 -0.974 -9.410 1.00 0.00 N ATOM 955 CA TRP A 59 2.823 -2.043 -8.555 1.00 0.00 C ATOM 956 C TRP A 59 2.389 -3.204 -9.451 1.00 0.00 C ATOM 957 O TRP A 59 1.690 -3.000 -10.443 1.00 0.00 O ATOM 958 CB TRP A 59 1.705 -1.545 -7.638 1.00 0.00 C ATOM 959 CG TRP A 59 2.043 -0.255 -6.888 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.510 0.963 -7.060 1.00 0.00 C ATOM 961 CD2 TRP A 59 3.017 -0.102 -5.834 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.067 1.885 -6.198 1.00 0.00 N ATOM 963 CE2 TRP A 59 3.013 1.217 -5.429 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.873 -1.048 -5.243 1.00 0.00 C ATOM 965 CZ2 TRP A 59 3.844 1.710 -4.416 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.697 -0.539 -4.233 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.706 0.786 -3.813 1.00 0.00 C ATOM 0 H TRP A 59 3.144 -0.033 -9.053 1.00 0.00 H new ATOM 0 HA TRP A 59 3.611 -2.394 -7.889 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.806 -1.382 -8.233 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.470 -2.324 -6.913 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.741 1.194 -7.783 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.829 2.875 -6.136 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.893 -2.085 -5.545 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.821 2.747 -4.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.374 -1.224 -3.745 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.375 1.101 -3.026 1.00 0.00 H new ATOM 978 N ASP A 60 2.821 -4.398 -9.071 1.00 0.00 N ATOM 979 CA ASP A 60 2.486 -5.592 -9.828 1.00 0.00 C ATOM 980 C ASP A 60 1.777 -6.590 -8.910 1.00 0.00 C ATOM 981 O ASP A 60 0.571 -6.801 -9.030 1.00 0.00 O ATOM 982 CB ASP A 60 3.744 -6.266 -10.378 1.00 0.00 C ATOM 983 CG ASP A 60 3.508 -7.614 -11.063 1.00 0.00 C ATOM 984 OD1 ASP A 60 2.406 -7.776 -11.631 1.00 0.00 O ATOM 985 OD2 ASP A 60 4.434 -8.451 -11.004 1.00 0.00 O ATOM 0 H ASP A 60 3.400 -4.564 -8.248 1.00 0.00 H new ATOM 0 HA ASP A 60 1.844 -5.297 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.218 -5.591 -11.091 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.449 -6.410 -9.559 1.00 0.00 H new ATOM 990 N GLU A 61 2.556 -7.177 -8.014 1.00 0.00 N ATOM 991 CA GLU A 61 2.018 -8.148 -7.076 1.00 0.00 C ATOM 992 C GLU A 61 2.992 -8.360 -5.915 1.00 0.00 C ATOM 993 O GLU A 61 2.723 -7.939 -4.791 1.00 0.00 O ATOM 994 CB GLU A 61 1.704 -9.471 -7.777 1.00 0.00 C ATOM 995 CG GLU A 61 0.775 -10.337 -6.923 1.00 0.00 C ATOM 996 CD GLU A 61 0.303 -11.567 -7.701 1.00 0.00 C ATOM 997 OE1 GLU A 61 1.079 -12.546 -7.740 1.00 0.00 O ATOM 998 OE2 GLU A 61 -0.823 -11.500 -8.239 1.00 0.00 O ATOM 0 H GLU A 61 3.556 -6.999 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 61 1.083 -7.757 -6.674 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.238 -9.274 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.630 -10.011 -7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.295 -10.652 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.087 -9.749 -6.607 1.00 0.00 H new ATOM 1005 N ASN A 62 4.102 -9.013 -6.227 1.00 0.00 N ATOM 1006 CA ASN A 62 5.116 -9.286 -5.223 1.00 0.00 C ATOM 1007 C ASN A 62 5.808 -7.978 -4.834 1.00 0.00 C ATOM 1008 O ASN A 62 6.268 -7.828 -3.704 1.00 0.00 O ATOM 1009 CB ASN A 62 6.182 -10.242 -5.763 1.00 0.00 C ATOM 1010 CG ASN A 62 5.689 -11.690 -5.725 1.00 0.00 C ATOM 1011 OD1 ASN A 62 4.379 -11.821 -5.910 1.00 0.00 O flip ATOM 1012 ND2 ASN A 62 6.449 -12.627 -5.540 1.00 0.00 N flip ATOM 0 H ASN A 62 4.321 -9.361 -7.160 1.00 0.00 H new ATOM 0 HA ASN A 62 4.625 -9.741 -4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.437 -9.968 -6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.093 -10.148 -5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.445 -12.456 -5.405 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.088 -13.581 -5.521 1.00 0.00 H new ATOM 1019 N ASN A 63 5.859 -7.065 -5.793 1.00 0.00 N ATOM 1020 CA ASN A 63 6.487 -5.775 -5.565 1.00 0.00 C ATOM 1021 C ASN A 63 5.991 -5.199 -4.238 1.00 0.00 C ATOM 1022 O ASN A 63 6.734 -5.155 -3.259 1.00 0.00 O ATOM 1023 CB ASN A 63 6.129 -4.784 -6.674 1.00 0.00 C ATOM 1024 CG ASN A 63 7.374 -4.054 -7.181 1.00 0.00 C ATOM 1025 OD1 ASN A 63 8.494 -4.522 -7.057 1.00 0.00 O ATOM 1026 ND2 ASN A 63 7.117 -2.883 -7.758 1.00 0.00 N ATOM 0 H ASN A 63 5.476 -7.193 -6.729 1.00 0.00 H new ATOM 0 HA ASN A 63 7.567 -5.924 -5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.652 -5.313 -7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.406 -4.060 -6.300 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.881 -2.319 -8.129 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.156 -2.550 -7.829 1.00 0.00 H new ATOM 1033 N MET A 64 4.737 -4.770 -4.247 1.00 0.00 N ATOM 1034 CA MET A 64 4.133 -4.198 -3.056 1.00 0.00 C ATOM 1035 C MET A 64 4.557 -4.967 -1.803 1.00 0.00 C ATOM 1036 O MET A 64 4.619 -4.399 -0.714 1.00 0.00 O ATOM 1037 CB MET A 64 2.609 -4.238 -3.188 1.00 0.00 C ATOM 1038 CG MET A 64 1.935 -3.923 -1.851 1.00 0.00 C ATOM 1039 SD MET A 64 0.165 -4.103 -2.001 1.00 0.00 S ATOM 1040 CE MET A 64 -0.154 -2.940 -3.317 1.00 0.00 C ATOM 0 H MET A 64 4.123 -4.807 -5.061 1.00 0.00 H new ATOM 0 HA MET A 64 4.472 -3.167 -2.959 1.00 0.00 H new ATOM 0 HB2 MET A 64 2.286 -3.518 -3.940 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.296 -5.223 -3.534 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.312 -4.592 -1.078 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.180 -2.907 -1.541 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.989 -2.297 -3.040 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.733 -2.330 -3.486 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.401 -3.482 -4.230 1.00 0.00 H new ATOM 1050 N SER A 65 4.838 -6.247 -1.999 1.00 0.00 N ATOM 1051 CA SER A 65 5.255 -7.099 -0.899 1.00 0.00 C ATOM 1052 C SER A 65 6.596 -6.617 -0.343 1.00 0.00 C ATOM 1053 O SER A 65 6.733 -6.406 0.861 1.00 0.00 O ATOM 1054 CB SER A 65 5.357 -8.560 -1.341 1.00 0.00 C ATOM 1055 OG SER A 65 6.702 -8.939 -1.621 1.00 0.00 O ATOM 0 H SER A 65 4.785 -6.715 -2.904 1.00 0.00 H new ATOM 0 HA SER A 65 4.501 -7.038 -0.114 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.954 -9.204 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.744 -8.714 -2.229 1.00 0.00 H new ATOM 0 HG SER A 65 6.950 -8.626 -2.516 1.00 0.00 H new ATOM 1061 N GLU A 66 7.552 -6.457 -1.246 1.00 0.00 N ATOM 1062 CA GLU A 66 8.878 -6.004 -0.861 1.00 0.00 C ATOM 1063 C GLU A 66 8.776 -4.797 0.072 1.00 0.00 C ATOM 1064 O GLU A 66 9.426 -4.757 1.116 1.00 0.00 O ATOM 1065 CB GLU A 66 9.724 -5.676 -2.093 1.00 0.00 C ATOM 1066 CG GLU A 66 11.214 -5.658 -1.745 1.00 0.00 C ATOM 1067 CD GLU A 66 11.828 -7.051 -1.892 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.780 -7.801 -0.893 1.00 0.00 O ATOM 1069 OE2 GLU A 66 12.332 -7.336 -3.000 1.00 0.00 O ATOM 0 H GLU A 66 7.435 -6.633 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 66 9.376 -6.812 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.538 -6.414 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.429 -4.706 -2.494 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.735 -4.956 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.348 -5.304 -0.723 1.00 0.00 H new ATOM 1076 N TYR A 67 7.955 -3.840 -0.337 1.00 0.00 N ATOM 1077 CA TYR A 67 7.759 -2.635 0.450 1.00 0.00 C ATOM 1078 C TYR A 67 6.879 -2.913 1.670 1.00 0.00 C ATOM 1079 O TYR A 67 7.195 -2.485 2.779 1.00 0.00 O ATOM 1080 CB TYR A 67 7.040 -1.644 -0.468 1.00 0.00 C ATOM 1081 CG TYR A 67 7.669 -1.513 -1.856 1.00 0.00 C ATOM 1082 CD1 TYR A 67 8.656 -0.574 -2.081 1.00 0.00 C ATOM 1083 CD2 TYR A 67 7.250 -2.333 -2.884 1.00 0.00 C ATOM 1084 CE1 TYR A 67 9.248 -0.451 -3.388 1.00 0.00 C ATOM 1085 CE2 TYR A 67 7.842 -2.209 -4.191 1.00 0.00 C ATOM 1086 CZ TYR A 67 8.812 -1.274 -4.378 1.00 0.00 C ATOM 1087 OH TYR A 67 9.371 -1.157 -5.612 1.00 0.00 O ATOM 0 H TYR A 67 7.418 -3.875 -1.204 1.00 0.00 H new ATOM 0 HA TYR A 67 8.714 -2.253 0.811 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.001 -1.955 -0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.030 -0.664 0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 67 8.984 0.068 -1.277 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.478 -3.068 -2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.021 0.279 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.523 -2.844 -5.004 1.00 0.00 H new ATOM 0 HH TYR A 67 10.340 -1.041 -5.522 1.00 0.00 H new ATOM 1097 N LEU A 68 5.791 -3.627 1.424 1.00 0.00 N ATOM 1098 CA LEU A 68 4.862 -3.968 2.489 1.00 0.00 C ATOM 1099 C LEU A 68 5.641 -4.535 3.677 1.00 0.00 C ATOM 1100 O LEU A 68 5.177 -4.473 4.814 1.00 0.00 O ATOM 1101 CB LEU A 68 3.769 -4.902 1.968 1.00 0.00 C ATOM 1102 CG LEU A 68 2.480 -4.228 1.492 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.447 -5.267 1.054 1.00 0.00 C ATOM 1104 CD2 LEU A 68 1.928 -3.285 2.562 1.00 0.00 C ATOM 0 H LEU A 68 5.531 -3.979 0.503 1.00 0.00 H new ATOM 0 HA LEU A 68 4.344 -3.076 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.179 -5.482 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.515 -5.608 2.758 1.00 0.00 H new ATOM 0 HG LEU A 68 2.714 -3.621 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.541 -4.761 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.853 -5.861 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.210 -5.920 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.012 -2.819 2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.713 -3.850 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.665 -2.513 2.782 1.00 0.00 H new ATOM 1116 N THR A 69 6.812 -5.075 3.372 1.00 0.00 N ATOM 1117 CA THR A 69 7.660 -5.653 4.401 1.00 0.00 C ATOM 1118 C THR A 69 8.703 -4.635 4.866 1.00 0.00 C ATOM 1119 O THR A 69 9.157 -4.684 6.009 1.00 0.00 O ATOM 1120 CB THR A 69 8.273 -6.939 3.842 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.415 -7.780 4.983 1.00 0.00 O ATOM 1122 CG2 THR A 69 9.706 -6.737 3.346 1.00 0.00 C ATOM 0 H THR A 69 7.193 -5.124 2.427 1.00 0.00 H new ATOM 0 HA THR A 69 7.084 -5.910 5.290 1.00 0.00 H new ATOM 0 HB THR A 69 7.655 -7.310 3.024 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.689 -7.241 5.754 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.094 -7.680 2.960 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.715 -5.989 2.553 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.332 -6.398 4.171 1.00 0.00 H new ATOM 1130 N ASN A 70 9.053 -3.737 3.958 1.00 0.00 N ATOM 1131 CA ASN A 70 10.035 -2.709 4.261 1.00 0.00 C ATOM 1132 C ASN A 70 9.681 -1.431 3.497 1.00 0.00 C ATOM 1133 O ASN A 70 10.370 -1.060 2.548 1.00 0.00 O ATOM 1134 CB ASN A 70 11.437 -3.143 3.831 1.00 0.00 C ATOM 1135 CG ASN A 70 12.503 -2.543 4.752 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.248 -1.642 5.533 1.00 0.00 O ATOM 1137 ND2 ASN A 70 13.706 -3.093 4.616 1.00 0.00 N ATOM 0 H ASN A 70 8.674 -3.699 3.012 1.00 0.00 H new ATOM 0 HA ASN A 70 10.024 -2.539 5.338 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.506 -4.231 3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 70 11.620 -2.828 2.804 1.00 0.00 H new ATOM 0 HD21 ASN A 70 14.485 -2.763 5.186 1.00 0.00 H new ATOM 0 HD22 ASN A 70 13.850 -3.845 3.942 1.00 0.00 H new ATOM 1144 N PRO A 71 8.578 -0.777 3.950 1.00 0.00 N ATOM 1145 CA PRO A 71 8.125 0.451 3.320 1.00 0.00 C ATOM 1146 C PRO A 71 9.023 1.628 3.704 1.00 0.00 C ATOM 1147 O PRO A 71 9.136 2.533 2.895 1.00 0.00 O ATOM 1148 CB PRO A 71 6.688 0.624 3.785 1.00 0.00 C ATOM 1149 CG PRO A 71 6.540 -0.253 5.018 1.00 0.00 C ATOM 1150 CD PRO A 71 7.737 -1.188 5.071 1.00 0.00 C ATOM 0 HA PRO A 71 8.176 0.409 2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.477 1.667 4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.987 0.324 3.006 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.494 0.359 5.919 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.612 -0.823 4.972 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.268 -1.098 6.019 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.430 -2.230 4.975 1.00 0.00 H new ATOM 1189 N LYS A 73 12.235 1.522 4.289 1.00 0.00 N ATOM 1190 CA LYS A 73 13.591 1.359 3.794 1.00 0.00 C ATOM 1191 C LYS A 73 13.642 1.759 2.318 1.00 0.00 C ATOM 1192 O LYS A 73 14.410 2.640 1.936 1.00 0.00 O ATOM 1193 CB LYS A 73 14.093 -0.061 4.064 1.00 0.00 C ATOM 1194 CG LYS A 73 15.574 -0.197 3.704 1.00 0.00 C ATOM 1195 CD LYS A 73 16.339 -0.937 4.803 1.00 0.00 C ATOM 1196 CE LYS A 73 17.050 -2.170 4.241 1.00 0.00 C ATOM 1197 NZ LYS A 73 18.280 -1.775 3.519 1.00 0.00 N ATOM 0 HA LYS A 73 14.273 2.020 4.328 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.946 -0.309 5.115 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.507 -0.774 3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.675 -0.734 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.008 0.792 3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.069 -0.267 5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.649 -1.238 5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.301 -2.854 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.382 -2.707 3.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.750 -2.624 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.033 -1.140 2.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.923 -1.283 4.172 1.00 0.00 H new ATOM 1211 N TYR A 74 12.814 1.092 1.528 1.00 0.00 N ATOM 1212 CA TYR A 74 12.755 1.366 0.102 1.00 0.00 C ATOM 1213 C TYR A 74 12.360 2.821 -0.160 1.00 0.00 C ATOM 1214 O TYR A 74 13.025 3.521 -0.923 1.00 0.00 O ATOM 1215 CB TYR A 74 11.669 0.447 -0.460 1.00 0.00 C ATOM 1216 CG TYR A 74 11.807 0.164 -1.957 1.00 0.00 C ATOM 1217 CD1 TYR A 74 12.056 1.199 -2.835 1.00 0.00 C ATOM 1218 CD2 TYR A 74 11.682 -1.127 -2.429 1.00 0.00 C ATOM 1219 CE1 TYR A 74 12.186 0.932 -4.244 1.00 0.00 C ATOM 1220 CE2 TYR A 74 11.812 -1.394 -3.838 1.00 0.00 C ATOM 1221 CZ TYR A 74 12.058 -0.351 -4.676 1.00 0.00 C ATOM 1222 OH TYR A 74 12.181 -0.603 -6.007 1.00 0.00 O ATOM 0 H TYR A 74 12.178 0.362 1.848 1.00 0.00 H new ATOM 0 HA TYR A 74 13.727 1.197 -0.362 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.692 -0.499 0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.694 0.898 -0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.153 2.209 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.487 -1.937 -1.742 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.381 1.733 -4.942 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.716 -2.399 -4.221 1.00 0.00 H new ATOM 0 HH TYR A 74 12.307 -1.565 -6.148 1.00 0.00 H new ATOM 1232 N ILE A 75 11.280 3.234 0.487 1.00 0.00 N ATOM 1233 CA ILE A 75 10.790 4.593 0.334 1.00 0.00 C ATOM 1234 C ILE A 75 11.364 5.467 1.450 1.00 0.00 C ATOM 1235 O ILE A 75 11.017 5.297 2.618 1.00 0.00 O ATOM 1236 CB ILE A 75 9.261 4.607 0.267 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.748 3.586 -0.751 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.737 6.015 -0.019 1.00 0.00 C ATOM 1239 CD1 ILE A 75 7.248 3.341 -0.573 1.00 0.00 C ATOM 0 H ILE A 75 10.731 2.651 1.118 1.00 0.00 H new ATOM 0 HA ILE A 75 11.132 5.017 -0.610 1.00 0.00 H new ATOM 0 HB ILE A 75 8.874 4.312 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.944 3.944 -1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 75 9.290 2.647 -0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.648 5.996 -0.061 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.058 6.691 0.774 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.131 6.363 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.909 2.612 -1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.058 2.960 0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 75 6.707 4.277 -0.714 1.00 0.00 H new ATOM 1251 N PRO A 76 12.257 6.409 1.041 1.00 0.00 N ATOM 1252 CA PRO A 76 12.883 7.310 1.994 1.00 0.00 C ATOM 1253 C PRO A 76 11.901 8.390 2.453 1.00 0.00 C ATOM 1254 O PRO A 76 11.557 9.288 1.686 1.00 0.00 O ATOM 1255 CB PRO A 76 14.090 7.876 1.264 1.00 0.00 C ATOM 1256 CG PRO A 76 13.836 7.633 -0.215 1.00 0.00 C ATOM 1257 CD PRO A 76 12.692 6.639 -0.333 1.00 0.00 C ATOM 0 HA PRO A 76 13.189 6.807 2.912 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.207 8.940 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.008 7.385 1.588 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.584 8.567 -0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.732 7.243 -0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.882 7.038 -0.943 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.020 5.713 -0.805 1.00 0.00 H new ATOM 1265 N GLY A 77 11.478 8.267 3.703 1.00 0.00 N ATOM 1266 CA GLY A 77 10.543 9.222 4.274 1.00 0.00 C ATOM 1267 C GLY A 77 9.107 8.897 3.859 1.00 0.00 C ATOM 1268 O GLY A 77 8.398 9.756 3.338 1.00 0.00 O ATOM 0 H GLY A 77 11.766 7.521 4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.623 9.210 5.361 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.801 10.229 3.947 1.00 0.00 H new ATOM 1272 N THR A 78 8.720 7.654 4.107 1.00 0.00 N ATOM 1273 CA THR A 78 7.381 7.205 3.766 1.00 0.00 C ATOM 1274 C THR A 78 6.432 7.410 4.949 1.00 0.00 C ATOM 1275 O THR A 78 6.520 6.701 5.950 1.00 0.00 O ATOM 1276 CB THR A 78 7.473 5.749 3.307 1.00 0.00 C ATOM 1277 OG1 THR A 78 6.240 5.519 2.630 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.444 4.763 4.477 1.00 0.00 C ATOM 0 H THR A 78 9.311 6.944 4.540 1.00 0.00 H new ATOM 0 HA THR A 78 6.963 7.793 2.949 1.00 0.00 H new ATOM 0 HB THR A 78 8.390 5.607 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.216 4.597 2.298 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.512 3.744 4.096 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.287 4.960 5.140 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.512 4.882 5.030 1.00 0.00 H new ATOM 1286 N LYS A 79 5.547 8.384 4.794 1.00 0.00 N ATOM 1287 CA LYS A 79 4.583 8.691 5.837 1.00 0.00 C ATOM 1288 C LYS A 79 3.946 7.393 6.336 1.00 0.00 C ATOM 1289 O LYS A 79 3.483 7.322 7.473 1.00 0.00 O ATOM 1290 CB LYS A 79 3.568 9.723 5.341 1.00 0.00 C ATOM 1291 CG LYS A 79 4.154 11.136 5.388 1.00 0.00 C ATOM 1292 CD LYS A 79 3.080 12.185 5.094 1.00 0.00 C ATOM 1293 CE LYS A 79 3.710 13.554 4.829 1.00 0.00 C ATOM 1294 NZ LYS A 79 3.528 14.443 5.998 1.00 0.00 N ATOM 0 H LYS A 79 5.477 8.970 3.962 1.00 0.00 H new ATOM 0 HA LYS A 79 5.080 9.151 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.269 9.483 4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.669 9.678 5.955 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.589 11.321 6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.961 11.223 4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.493 11.877 4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.393 12.254 5.937 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.772 13.437 4.616 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.256 14.005 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.961 15.368 5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.512 14.569 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.982 14.018 6.831 1.00 0.00 H new ATOM 1308 N MET A 80 3.943 6.398 5.461 1.00 0.00 N ATOM 1309 CA MET A 80 3.371 5.106 5.798 1.00 0.00 C ATOM 1310 C MET A 80 4.052 4.510 7.032 1.00 0.00 C ATOM 1311 O MET A 80 5.057 3.811 6.914 1.00 0.00 O ATOM 1312 CB MET A 80 3.533 4.151 4.614 1.00 0.00 C ATOM 1313 CG MET A 80 2.960 2.770 4.941 1.00 0.00 C ATOM 1314 SD MET A 80 2.589 1.890 3.433 1.00 0.00 S ATOM 1315 CE MET A 80 2.626 0.211 4.037 1.00 0.00 C ATOM 0 H MET A 80 4.328 6.461 4.519 1.00 0.00 H new ATOM 0 HA MET A 80 2.313 5.245 6.021 1.00 0.00 H new ATOM 0 HB2 MET A 80 3.027 4.561 3.740 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.588 4.059 4.358 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.675 2.202 5.536 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.057 2.875 5.542 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.902 -0.390 3.486 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.624 -0.204 3.896 1.00 0.00 H new ATOM 0 HE3 MET A 80 2.375 0.200 5.098 1.00 0.00 H new ATOM 1325 N ALA A 81 3.477 4.809 8.188 1.00 0.00 N ATOM 1326 CA ALA A 81 4.016 4.311 9.442 1.00 0.00 C ATOM 1327 C ALA A 81 3.448 2.918 9.720 1.00 0.00 C ATOM 1328 O ALA A 81 2.492 2.774 10.481 1.00 0.00 O ATOM 1329 CB ALA A 81 3.700 5.304 10.563 1.00 0.00 C ATOM 0 H ALA A 81 2.644 5.390 8.282 1.00 0.00 H new ATOM 0 HA ALA A 81 5.100 4.218 9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.104 4.931 11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.151 6.269 10.332 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.620 5.420 10.653 1.00 0.00 H new ATOM 1335 N PHE A 82 4.059 1.928 9.087 1.00 0.00 N ATOM 1336 CA PHE A 82 3.626 0.551 9.257 1.00 0.00 C ATOM 1337 C PHE A 82 4.755 -0.313 9.823 1.00 0.00 C ATOM 1338 O PHE A 82 5.892 -0.237 9.360 1.00 0.00 O ATOM 1339 CB PHE A 82 3.246 0.028 7.870 1.00 0.00 C ATOM 1340 CG PHE A 82 2.884 -1.458 7.843 1.00 0.00 C ATOM 1341 CD1 PHE A 82 2.130 -1.993 8.841 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.316 -2.245 6.821 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.794 -3.372 8.817 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.979 -3.624 6.797 1.00 0.00 C ATOM 1345 CZ PHE A 82 2.226 -4.159 7.795 1.00 0.00 C ATOM 0 H PHE A 82 4.850 2.051 8.455 1.00 0.00 H new ATOM 0 HA PHE A 82 2.788 0.507 9.953 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.400 0.604 7.495 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.078 0.201 7.187 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.787 -1.368 9.652 1.00 0.00 H new ATOM 0 HD2 PHE A 82 3.915 -1.821 6.028 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.196 -3.796 9.610 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.321 -4.249 5.985 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.971 -5.208 7.776 1.00 0.00 H new ATOM 1355 N GLY A 83 4.401 -1.115 10.817 1.00 0.00 N ATOM 1356 CA GLY A 83 5.370 -1.992 11.451 1.00 0.00 C ATOM 1357 C GLY A 83 6.173 -2.769 10.406 1.00 0.00 C ATOM 1358 O GLY A 83 7.395 -2.648 10.340 1.00 0.00 O ATOM 0 H GLY A 83 3.457 -1.175 11.198 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.047 -1.404 12.071 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.856 -2.690 12.112 1.00 0.00 H new ATOM 1362 N GLY A 84 5.453 -3.551 9.614 1.00 0.00 N ATOM 1363 CA GLY A 84 6.083 -4.348 8.575 1.00 0.00 C ATOM 1364 C GLY A 84 5.830 -5.840 8.799 1.00 0.00 C ATOM 1365 O GLY A 84 6.231 -6.395 9.822 1.00 0.00 O ATOM 0 H GLY A 84 4.439 -3.649 9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.696 -4.052 7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.156 -4.155 8.564 1.00 0.00 H new ATOM 1369 N LEU A 85 5.166 -6.447 7.827 1.00 0.00 N ATOM 1370 CA LEU A 85 4.855 -7.865 7.905 1.00 0.00 C ATOM 1371 C LEU A 85 6.150 -8.658 8.087 1.00 0.00 C ATOM 1372 O LEU A 85 7.200 -8.082 8.369 1.00 0.00 O ATOM 1373 CB LEU A 85 4.033 -8.300 6.691 1.00 0.00 C ATOM 1374 CG LEU A 85 2.702 -7.573 6.485 1.00 0.00 C ATOM 1375 CD1 LEU A 85 2.108 -7.895 5.113 1.00 0.00 C ATOM 1376 CD2 LEU A 85 1.726 -7.886 7.621 1.00 0.00 C ATOM 0 H LEU A 85 4.834 -5.983 6.981 1.00 0.00 H new ATOM 0 HA LEU A 85 4.231 -8.071 8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.641 -8.162 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.831 -9.368 6.778 1.00 0.00 H new ATOM 0 HG LEU A 85 2.891 -6.500 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.163 -7.366 4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.802 -7.581 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.935 -8.968 5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.788 -7.357 7.451 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.537 -8.959 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.157 -7.565 8.569 1.00 0.00 H new ATOM 1388 N LYS A 86 6.034 -9.967 7.918 1.00 0.00 N ATOM 1389 CA LYS A 86 7.183 -10.844 8.060 1.00 0.00 C ATOM 1390 C LYS A 86 6.810 -12.248 7.578 1.00 0.00 C ATOM 1391 O LYS A 86 7.613 -12.919 6.931 1.00 0.00 O ATOM 1392 CB LYS A 86 7.711 -10.808 9.496 1.00 0.00 C ATOM 1393 CG LYS A 86 6.626 -11.227 10.490 1.00 0.00 C ATOM 1394 CD LYS A 86 5.759 -10.032 10.890 1.00 0.00 C ATOM 1395 CE LYS A 86 4.304 -10.245 10.467 1.00 0.00 C ATOM 1396 NZ LYS A 86 3.498 -9.037 10.755 1.00 0.00 N ATOM 0 H LYS A 86 5.162 -10.441 7.684 1.00 0.00 H new ATOM 0 HA LYS A 86 8.005 -10.498 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.570 -11.473 9.588 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.059 -9.803 9.734 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.001 -12.002 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.088 -11.659 11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 86 5.810 -9.886 11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 86 6.147 -9.125 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 86 4.259 -10.474 9.402 1.00 0.00 H new ATOM 0 HE3 LYS A 86 3.887 -11.102 10.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.724 -8.963 10.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.101 -9.105 11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.102 -8.193 10.689 1.00 0.00 H new ATOM 1410 N LYS A 87 5.592 -12.649 7.911 1.00 0.00 N ATOM 1411 CA LYS A 87 5.103 -13.960 7.520 1.00 0.00 C ATOM 1412 C LYS A 87 4.787 -13.956 6.023 1.00 0.00 C ATOM 1413 O LYS A 87 3.682 -13.599 5.620 1.00 0.00 O ATOM 1414 CB LYS A 87 3.920 -14.374 8.397 1.00 0.00 C ATOM 1415 CG LYS A 87 4.395 -14.832 9.778 1.00 0.00 C ATOM 1416 CD LYS A 87 5.011 -16.231 9.711 1.00 0.00 C ATOM 1417 CE LYS A 87 3.928 -17.298 9.537 1.00 0.00 C ATOM 1418 NZ LYS A 87 3.285 -17.599 10.836 1.00 0.00 N ATOM 0 H LYS A 87 4.929 -12.089 8.447 1.00 0.00 H new ATOM 0 HA LYS A 87 5.870 -14.717 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.232 -13.536 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.368 -15.180 7.913 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.129 -14.126 10.166 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.555 -14.834 10.473 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.715 -16.283 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.577 -16.427 10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.179 -16.952 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.366 -18.206 9.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.553 -18.325 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.000 -17.949 11.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.850 -16.735 11.216 1.00 0.00 H new ATOM 1432 N GLU A 88 5.778 -14.358 5.241 1.00 0.00 N ATOM 1433 CA GLU A 88 5.619 -14.405 3.797 1.00 0.00 C ATOM 1434 C GLU A 88 4.186 -14.796 3.433 1.00 0.00 C ATOM 1435 O GLU A 88 3.473 -14.027 2.790 1.00 0.00 O ATOM 1436 CB GLU A 88 6.627 -15.368 3.166 1.00 0.00 C ATOM 1437 CG GLU A 88 7.015 -16.476 4.147 1.00 0.00 C ATOM 1438 CD GLU A 88 7.182 -17.814 3.424 1.00 0.00 C ATOM 1439 OE1 GLU A 88 6.465 -18.010 2.419 1.00 0.00 O ATOM 1440 OE2 GLU A 88 8.023 -18.611 3.893 1.00 0.00 O ATOM 0 H GLU A 88 6.694 -14.654 5.579 1.00 0.00 H new ATOM 0 HA GLU A 88 5.816 -13.410 3.397 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.200 -15.808 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.518 -14.819 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.945 -16.212 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.250 -16.568 4.918 1.00 0.00 H new ATOM 1447 N LYS A 89 3.806 -15.991 3.860 1.00 0.00 N ATOM 1448 CA LYS A 89 2.470 -16.494 3.588 1.00 0.00 C ATOM 1449 C LYS A 89 1.452 -15.374 3.814 1.00 0.00 C ATOM 1450 O LYS A 89 0.696 -15.026 2.908 1.00 0.00 O ATOM 1451 CB LYS A 89 2.192 -17.753 4.412 1.00 0.00 C ATOM 1452 CG LYS A 89 3.378 -18.717 4.356 1.00 0.00 C ATOM 1453 CD LYS A 89 2.913 -20.140 4.039 1.00 0.00 C ATOM 1454 CE LYS A 89 3.122 -20.468 2.559 1.00 0.00 C ATOM 1455 NZ LYS A 89 4.555 -20.711 2.279 1.00 0.00 N ATOM 0 H LYS A 89 4.400 -16.626 4.393 1.00 0.00 H new ATOM 0 HA LYS A 89 2.384 -16.799 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.991 -17.477 5.447 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.298 -18.249 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.086 -18.384 3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.905 -18.707 5.310 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.463 -20.852 4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.859 -20.247 4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.538 -21.348 2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.760 -19.645 1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.657 -21.142 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.071 -19.809 2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.945 -21.353 2.998 1.00 0.00 H new ATOM 1469 N ASP A 90 1.467 -14.840 5.026 1.00 0.00 N ATOM 1470 CA ASP A 90 0.555 -13.767 5.383 1.00 0.00 C ATOM 1471 C ASP A 90 0.610 -12.679 4.308 1.00 0.00 C ATOM 1472 O ASP A 90 -0.404 -12.056 3.999 1.00 0.00 O ATOM 1473 CB ASP A 90 0.947 -13.132 6.719 1.00 0.00 C ATOM 1474 CG ASP A 90 0.026 -13.474 7.892 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -0.771 -14.424 7.730 1.00 0.00 O ATOM 1476 OD2 ASP A 90 0.140 -12.779 8.924 1.00 0.00 O ATOM 0 H ASP A 90 2.097 -15.131 5.774 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.447 -14.189 5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.961 -13.445 6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 90 0.968 -12.049 6.597 1.00 0.00 H new ATOM 1481 N ARG A 91 1.804 -12.484 3.769 1.00 0.00 N ATOM 1482 CA ARG A 91 2.005 -11.483 2.736 1.00 0.00 C ATOM 1483 C ARG A 91 1.395 -11.954 1.414 1.00 0.00 C ATOM 1484 O ARG A 91 0.800 -11.163 0.684 1.00 0.00 O ATOM 1485 CB ARG A 91 3.493 -11.195 2.529 1.00 0.00 C ATOM 1486 CG ARG A 91 4.216 -11.057 3.870 1.00 0.00 C ATOM 1487 CD ARG A 91 5.531 -10.292 3.708 1.00 0.00 C ATOM 1488 NE ARG A 91 6.674 -11.172 4.042 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.922 -10.984 3.593 1.00 0.00 C ATOM 1490 NH1 ARG A 91 8.197 -9.947 2.790 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.896 -11.834 3.948 1.00 0.00 N ATOM 0 H ARG A 91 2.643 -13.003 4.029 1.00 0.00 H new ATOM 0 HA ARG A 91 1.512 -10.567 3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.946 -11.999 1.949 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.613 -10.279 1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.574 -10.537 4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.415 -12.046 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.627 -9.930 2.684 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.534 -9.416 4.357 1.00 0.00 H new ATOM 0 HE ARG A 91 6.500 -11.971 4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.456 -9.300 2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.148 -9.804 2.449 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.686 -12.623 4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.847 -11.692 3.607 1.00 0.00 H new ATOM 1505 N ASN A 92 1.564 -13.240 1.147 1.00 0.00 N ATOM 1506 CA ASN A 92 1.038 -13.827 -0.074 1.00 0.00 C ATOM 1507 C ASN A 92 -0.488 -13.709 -0.075 1.00 0.00 C ATOM 1508 O ASN A 92 -1.082 -13.302 -1.072 1.00 0.00 O ATOM 1509 CB ASN A 92 1.397 -15.310 -0.172 1.00 0.00 C ATOM 1510 CG ASN A 92 2.855 -15.494 -0.600 1.00 0.00 C ATOM 1511 OD1 ASN A 92 3.561 -14.550 -0.914 1.00 0.00 O ATOM 1512 ND2 ASN A 92 3.264 -16.760 -0.596 1.00 0.00 N ATOM 0 H ASN A 92 2.058 -13.893 1.755 1.00 0.00 H new ATOM 0 HA ASN A 92 1.474 -13.294 -0.919 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.234 -15.792 0.792 1.00 0.00 H new ATOM 0 HB3 ASN A 92 0.739 -15.801 -0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.221 -16.988 -0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 92 2.621 -17.503 -0.322 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.078 -14.072 1.054 1.00 0.00 N ATOM 1520 CA ASP A 93 -2.523 -14.012 1.196 1.00 0.00 C ATOM 1521 C ASP A 93 -3.008 -12.605 0.841 1.00 0.00 C ATOM 1522 O ASP A 93 -3.752 -12.426 -0.122 1.00 0.00 O ATOM 1523 CB ASP A 93 -2.947 -14.309 2.636 1.00 0.00 C ATOM 1524 CG ASP A 93 -2.498 -15.668 3.175 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -1.816 -16.384 2.411 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -2.846 -15.959 4.340 1.00 0.00 O ATOM 0 H ASP A 93 -0.582 -14.409 1.879 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.959 -14.757 0.530 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -2.549 -13.528 3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.034 -14.251 2.698 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.566 -11.643 1.637 1.00 0.00 N ATOM 1532 CA LEU A 94 -2.946 -10.257 1.418 1.00 0.00 C ATOM 1533 C LEU A 94 -2.786 -9.917 -0.065 1.00 0.00 C ATOM 1534 O LEU A 94 -3.769 -9.644 -0.752 1.00 0.00 O ATOM 1535 CB LEU A 94 -2.160 -9.333 2.350 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.803 -7.977 2.650 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -4.207 -8.154 3.232 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -1.907 -7.134 3.559 1.00 0.00 C ATOM 0 H LEU A 94 -1.949 -11.795 2.434 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.996 -10.105 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.999 -9.853 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.178 -9.158 1.912 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.910 -7.434 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.642 -7.176 3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.833 -8.687 2.516 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.148 -8.725 4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.388 -6.176 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.746 -7.660 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.948 -6.965 3.069 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.540 -9.944 -0.514 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.239 -9.642 -1.903 1.00 0.00 C ATOM 1552 C ILE A 95 -2.303 -10.275 -2.801 1.00 0.00 C ATOM 1553 O ILE A 95 -2.627 -9.739 -3.860 1.00 0.00 O ATOM 1554 CB ILE A 95 0.190 -10.070 -2.247 1.00 0.00 C ATOM 1555 CG1 ILE A 95 1.209 -9.309 -1.397 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.462 -9.916 -3.744 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.459 -10.156 -1.151 1.00 0.00 C ATOM 0 H ILE A 95 -0.727 -10.170 0.059 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.276 -8.566 -2.075 1.00 0.00 H new ATOM 0 HB ILE A 95 0.298 -11.128 -2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.486 -8.382 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.759 -9.033 -0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.484 -10.227 -3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.234 -10.538 -4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.331 -8.873 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.167 -9.592 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.181 -11.071 -0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.920 -10.410 -2.105 1.00 0.00 H new ATOM 1569 N THR A 96 -2.819 -11.408 -2.345 1.00 0.00 N ATOM 1570 CA THR A 96 -3.840 -12.120 -3.094 1.00 0.00 C ATOM 1571 C THR A 96 -5.208 -11.470 -2.881 1.00 0.00 C ATOM 1572 O THR A 96 -5.914 -11.171 -3.843 1.00 0.00 O ATOM 1573 CB THR A 96 -3.794 -13.591 -2.675 1.00 0.00 C ATOM 1574 OG1 THR A 96 -3.328 -14.269 -3.838 1.00 0.00 O ATOM 1575 CG2 THR A 96 -5.188 -14.176 -2.436 1.00 0.00 C ATOM 0 H THR A 96 -2.549 -11.850 -1.466 1.00 0.00 H new ATOM 0 HA THR A 96 -3.653 -12.067 -4.167 1.00 0.00 H new ATOM 0 HB THR A 96 -3.198 -13.691 -1.768 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.351 -14.211 -3.881 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.098 -15.222 -2.141 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.686 -13.617 -1.644 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.774 -14.107 -3.353 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.542 -11.270 -1.614 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.813 -10.661 -1.262 1.00 0.00 C ATOM 1585 C TYR A 97 -6.891 -9.221 -1.774 1.00 0.00 C ATOM 1586 O TYR A 97 -7.882 -8.830 -2.389 1.00 0.00 O ATOM 1587 CB TYR A 97 -6.867 -10.650 0.267 1.00 0.00 C ATOM 1588 CG TYR A 97 -7.968 -9.759 0.845 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.258 -10.239 0.953 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -7.672 -8.476 1.257 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.295 -9.400 1.497 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -8.709 -7.637 1.801 1.00 0.00 C ATOM 1593 CZ TYR A 97 -9.969 -8.141 1.894 1.00 0.00 C ATOM 1594 OH TYR A 97 -10.948 -7.349 2.407 1.00 0.00 O ATOM 0 H TYR A 97 -4.954 -11.519 -0.819 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.640 -11.216 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.015 -11.670 0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -5.904 -10.315 0.652 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.490 -11.243 0.630 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -6.663 -8.101 1.172 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.308 -9.763 1.587 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -8.491 -6.631 2.128 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.571 -6.478 2.649 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.834 -8.472 -1.501 1.00 0.00 N ATOM 1605 CA LEU A 98 -5.770 -7.084 -1.926 1.00 0.00 C ATOM 1606 C LEU A 98 -6.061 -7.000 -3.425 1.00 0.00 C ATOM 1607 O LEU A 98 -6.881 -6.191 -3.858 1.00 0.00 O ATOM 1608 CB LEU A 98 -4.432 -6.461 -1.523 1.00 0.00 C ATOM 1609 CG LEU A 98 -4.510 -5.216 -0.637 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -4.101 -5.541 0.801 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -3.682 -4.072 -1.224 1.00 0.00 C ATOM 0 H LEU A 98 -5.014 -8.800 -0.990 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.535 -6.495 -1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.844 -7.217 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.886 -6.203 -2.431 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.547 -4.881 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.165 -4.639 1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.769 -6.301 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.077 -5.915 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.755 -3.200 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.639 -4.380 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.061 -3.820 -2.214 1.00 0.00 H new ATOM 1623 N LYS A 99 -5.374 -7.847 -4.177 1.00 0.00 N ATOM 1624 CA LYS A 99 -5.548 -7.879 -5.619 1.00 0.00 C ATOM 1625 C LYS A 99 -7.042 -7.918 -5.947 1.00 0.00 C ATOM 1626 O LYS A 99 -7.509 -7.187 -6.819 1.00 0.00 O ATOM 1627 CB LYS A 99 -4.754 -9.036 -6.230 1.00 0.00 C ATOM 1628 CG LYS A 99 -5.050 -9.176 -7.724 1.00 0.00 C ATOM 1629 CD LYS A 99 -5.750 -10.503 -8.023 1.00 0.00 C ATOM 1630 CE LYS A 99 -7.238 -10.288 -8.302 1.00 0.00 C ATOM 1631 NZ LYS A 99 -7.436 -9.735 -9.661 1.00 0.00 N ATOM 0 H LYS A 99 -4.695 -8.517 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 99 -5.145 -6.973 -6.071 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.687 -8.868 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.005 -9.965 -5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.677 -8.348 -8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.120 -9.116 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.280 -10.980 -8.883 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.629 -11.180 -7.178 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.772 -11.233 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.658 -9.608 -7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.452 -9.595 -9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.942 -8.823 -9.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.053 -10.398 -10.365 1.00 0.00 H new ATOM 1645 N LYS A 100 -7.751 -8.778 -5.230 1.00 0.00 N ATOM 1646 CA LYS A 100 -9.182 -8.922 -5.434 1.00 0.00 C ATOM 1647 C LYS A 100 -9.902 -7.714 -4.832 1.00 0.00 C ATOM 1648 O LYS A 100 -10.756 -7.110 -5.479 1.00 0.00 O ATOM 1649 CB LYS A 100 -9.669 -10.265 -4.886 1.00 0.00 C ATOM 1650 CG LYS A 100 -11.142 -10.496 -5.230 1.00 0.00 C ATOM 1651 CD LYS A 100 -11.292 -11.570 -6.309 1.00 0.00 C ATOM 1652 CE LYS A 100 -12.766 -11.822 -6.631 1.00 0.00 C ATOM 1653 NZ LYS A 100 -13.464 -12.388 -5.455 1.00 0.00 N ATOM 0 H LYS A 100 -7.361 -9.382 -4.507 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.416 -8.935 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -9.064 -11.072 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -9.536 -10.290 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -11.685 -10.797 -4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -11.589 -9.564 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -10.767 -11.259 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -10.826 -12.496 -5.972 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -13.244 -10.889 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -12.848 -12.507 -7.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -14.378 -12.786 -5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -12.880 -13.138 -5.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -13.625 -11.638 -4.753 1.00 0.00 H new ATOM 1667 N ALA A 101 -9.532 -7.399 -3.599 1.00 0.00 N ATOM 1668 CA ALA A 101 -10.132 -6.274 -2.903 1.00 0.00 C ATOM 1669 C ALA A 101 -10.068 -5.033 -3.795 1.00 0.00 C ATOM 1670 O ALA A 101 -11.039 -4.285 -3.895 1.00 0.00 O ATOM 1671 CB ALA A 101 -9.422 -6.065 -1.563 1.00 0.00 C ATOM 0 H ALA A 101 -8.824 -7.903 -3.065 1.00 0.00 H new ATOM 0 HA ALA A 101 -11.182 -6.472 -2.689 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.872 -5.221 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -9.522 -6.964 -0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.366 -5.862 -1.739 1.00 0.00 H new ATOM 1677 N SER A 102 -8.914 -4.853 -4.422 1.00 0.00 N ATOM 1678 CA SER A 102 -8.710 -3.716 -5.303 1.00 0.00 C ATOM 1679 C SER A 102 -9.610 -3.840 -6.534 1.00 0.00 C ATOM 1680 O SER A 102 -9.935 -2.841 -7.174 1.00 0.00 O ATOM 1681 CB SER A 102 -7.244 -3.601 -5.725 1.00 0.00 C ATOM 1682 OG SER A 102 -6.644 -2.400 -5.250 1.00 0.00 O ATOM 0 H SER A 102 -8.111 -5.476 -4.337 1.00 0.00 H new ATOM 0 HA SER A 102 -8.974 -2.810 -4.758 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.689 -4.458 -5.344 1.00 0.00 H new ATOM 0 HB3 SER A 102 -7.176 -3.635 -6.812 1.00 0.00 H new ATOM 0 HG SER A 102 -7.134 -2.078 -4.465 1.00 0.00 H new ATOM 1688 N GLU A 103 -9.985 -5.076 -6.831 1.00 0.00 N ATOM 1689 CA GLU A 103 -10.840 -5.344 -7.974 1.00 0.00 C ATOM 1690 C GLU A 103 -12.238 -5.756 -7.507 1.00 0.00 C ATOM 1691 O GLU A 103 -13.148 -4.930 -7.458 1.00 0.00 O ATOM 1692 CB GLU A 103 -10.227 -6.415 -8.878 1.00 0.00 C ATOM 1693 CG GLU A 103 -10.468 -6.091 -10.354 1.00 0.00 C ATOM 1694 CD GLU A 103 -9.551 -4.960 -10.824 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -9.307 -4.049 -10.003 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -9.114 -5.033 -11.993 1.00 0.00 O ATOM 0 H GLU A 103 -9.712 -5.903 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 103 -10.929 -4.428 -8.559 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -9.156 -6.487 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.659 -7.387 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -10.293 -6.981 -10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.509 -5.805 -10.502 1.00 0.00 H new