USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 743 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 81 TYR OH : rot -179:sc= 0.29 USER MOD Set 1.2: A 87 SER OG : rot -175:sc= 0.316 USER MOD Set 2.1: A 72 THR OG1 : rot 180:sc= 0.0115 USER MOD Set 2.2: A 94 THR OG1 : rot -60:sc= 0.0108 USER MOD Set 3.1: A 49 HIS : no HD1:sc= 0 X(o=-0.16,f=-0.17) USER MOD Set 3.2: A 68 SER OG : rot 90:sc= 0.0349 USER MOD Set 3.3: A 73 TYR OH : rot 180:sc= -0.191 USER MOD Set 4.1: A 60 THR OG1 : rot 180:sc= 0.0119 USER MOD Set 4.2: A 61 SER OG : rot 174:sc= -1.86 USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.068 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 17 SER OG : rot 180:sc= -0.171 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-3!) USER MOD Single : A 41 THR OG1 : rot 45:sc= 0.0794 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.24 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -142:sc= 0 (180deg=-0.376) USER MOD Single : A 69 SER OG : rot -41:sc= -0.629 USER MOD Single : A 70 SER OG : rot -57:sc= 0.493 USER MOD Single : A 71 THR OG1 : rot 63:sc= 0.12 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -138:sc= -0.0991 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -14:sc= -0.427 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -173:sc= 1.34 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.133 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.964 -20.649 10.515 1.00 0.00 N ATOM 2 CA GLY A 1 2.625 -21.227 9.360 1.00 0.00 C ATOM 3 C GLY A 1 1.739 -21.241 8.130 1.00 0.00 C ATOM 4 O GLY A 1 0.657 -20.654 8.130 1.00 0.00 O ATOM 0 H1 GLY A 1 2.470 -19.790 10.811 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.984 -20.405 10.268 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.964 -21.337 11.295 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.532 -20.662 9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.933 -22.246 9.594 1.00 0.00 H new ATOM 8 N SER A 2 2.199 -21.912 7.079 1.00 0.00 N ATOM 9 CA SER A 2 1.442 -21.995 5.835 1.00 0.00 C ATOM 10 C SER A 2 1.977 -23.116 4.948 1.00 0.00 C ATOM 11 O SER A 2 3.187 -23.285 4.804 1.00 0.00 O ATOM 12 CB SER A 2 1.504 -20.663 5.086 1.00 0.00 C ATOM 13 OG SER A 2 2.824 -20.379 4.658 1.00 0.00 O ATOM 0 H SER A 2 3.091 -22.406 7.064 1.00 0.00 H new ATOM 0 HA SER A 2 0.404 -22.216 6.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.838 -20.696 4.224 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.148 -19.861 5.733 1.00 0.00 H new ATOM 0 HG SER A 2 2.836 -19.523 4.180 1.00 0.00 H new ATOM 19 N SER A 3 1.064 -23.880 4.356 1.00 0.00 N ATOM 20 CA SER A 3 1.442 -24.987 3.486 1.00 0.00 C ATOM 21 C SER A 3 0.218 -25.570 2.785 1.00 0.00 C ATOM 22 O SER A 3 -0.894 -25.518 3.308 1.00 0.00 O ATOM 23 CB SER A 3 2.150 -26.078 4.292 1.00 0.00 C ATOM 24 OG SER A 3 2.640 -27.102 3.444 1.00 0.00 O ATOM 0 H SER A 3 0.058 -23.752 4.463 1.00 0.00 H new ATOM 0 HA SER A 3 2.125 -24.604 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.975 -25.641 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.459 -26.504 5.019 1.00 0.00 H new ATOM 0 HG SER A 3 3.090 -27.786 3.983 1.00 0.00 H new ATOM 30 N GLY A 4 0.433 -26.125 1.597 1.00 0.00 N ATOM 31 CA GLY A 4 -0.660 -26.710 0.842 1.00 0.00 C ATOM 32 C GLY A 4 -1.495 -25.666 0.127 1.00 0.00 C ATOM 33 O GLY A 4 -2.194 -24.879 0.764 1.00 0.00 O ATOM 0 H GLY A 4 1.345 -26.180 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.258 -27.412 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.298 -27.282 1.516 1.00 0.00 H new ATOM 37 N SER A 5 -1.420 -25.658 -1.200 1.00 0.00 N ATOM 38 CA SER A 5 -2.170 -24.699 -2.002 1.00 0.00 C ATOM 39 C SER A 5 -3.422 -25.344 -2.589 1.00 0.00 C ATOM 40 O SER A 5 -3.377 -25.954 -3.657 1.00 0.00 O ATOM 41 CB SER A 5 -1.293 -24.146 -3.126 1.00 0.00 C ATOM 42 OG SER A 5 -0.336 -23.230 -2.623 1.00 0.00 O ATOM 0 H SER A 5 -0.847 -26.305 -1.742 1.00 0.00 H new ATOM 0 HA SER A 5 -2.475 -23.879 -1.352 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.784 -24.967 -3.632 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.918 -23.652 -3.870 1.00 0.00 H new ATOM 0 HG SER A 5 0.213 -22.892 -3.361 1.00 0.00 H new ATOM 48 N SER A 6 -4.539 -25.204 -1.882 1.00 0.00 N ATOM 49 CA SER A 6 -5.804 -25.776 -2.329 1.00 0.00 C ATOM 50 C SER A 6 -6.540 -24.810 -3.253 1.00 0.00 C ATOM 51 O SER A 6 -7.071 -25.207 -4.289 1.00 0.00 O ATOM 52 CB SER A 6 -6.685 -26.122 -1.128 1.00 0.00 C ATOM 53 OG SER A 6 -6.034 -27.037 -0.264 1.00 0.00 O ATOM 0 H SER A 6 -4.594 -24.699 -0.997 1.00 0.00 H new ATOM 0 HA SER A 6 -5.586 -26.688 -2.884 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.932 -25.213 -0.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.625 -26.550 -1.474 1.00 0.00 H new ATOM 0 HG SER A 6 -6.618 -27.241 0.497 1.00 0.00 H new ATOM 59 N GLY A 7 -6.567 -23.538 -2.869 1.00 0.00 N ATOM 60 CA GLY A 7 -7.239 -22.534 -3.672 1.00 0.00 C ATOM 61 C GLY A 7 -6.863 -21.122 -3.270 1.00 0.00 C ATOM 62 O GLY A 7 -7.697 -20.369 -2.765 1.00 0.00 O ATOM 0 H GLY A 7 -6.135 -23.185 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.991 -22.688 -4.722 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.318 -22.660 -3.578 1.00 0.00 H new ATOM 66 N LEU A 8 -5.604 -20.760 -3.492 1.00 0.00 N ATOM 67 CA LEU A 8 -5.118 -19.429 -3.148 1.00 0.00 C ATOM 68 C LEU A 8 -4.586 -18.707 -4.382 1.00 0.00 C ATOM 69 O LEU A 8 -3.778 -19.254 -5.132 1.00 0.00 O ATOM 70 CB LEU A 8 -4.022 -19.523 -2.086 1.00 0.00 C ATOM 71 CG LEU A 8 -4.493 -19.519 -0.632 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.289 -20.779 -0.325 1.00 0.00 C ATOM 73 CD2 LEU A 8 -3.307 -19.392 0.313 1.00 0.00 C ATOM 0 H LEU A 8 -4.901 -21.370 -3.909 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.955 -18.856 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.453 -20.436 -2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.335 -18.688 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.144 -18.657 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -5.616 -20.759 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.160 -20.827 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -4.662 -21.655 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.662 -19.391 1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.630 -20.233 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.778 -18.461 0.110 1.00 0.00 H new ATOM 85 N ALA A 9 -5.044 -17.476 -4.585 1.00 0.00 N ATOM 86 CA ALA A 9 -4.611 -16.679 -5.726 1.00 0.00 C ATOM 87 C ALA A 9 -5.128 -15.247 -5.622 1.00 0.00 C ATOM 88 O ALA A 9 -6.055 -14.949 -4.870 1.00 0.00 O ATOM 89 CB ALA A 9 -5.079 -17.318 -7.025 1.00 0.00 C ATOM 0 H ALA A 9 -5.715 -17.009 -3.974 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.521 -16.646 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.748 -16.712 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.657 -18.319 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.167 -17.381 -7.028 1.00 0.00 H new ATOM 95 N PRO A 10 -4.514 -14.339 -6.395 1.00 0.00 N ATOM 96 CA PRO A 10 -4.896 -12.924 -6.408 1.00 0.00 C ATOM 97 C PRO A 10 -6.258 -12.696 -7.053 1.00 0.00 C ATOM 98 O PRO A 10 -6.494 -13.057 -8.206 1.00 0.00 O ATOM 99 CB PRO A 10 -3.793 -12.266 -7.242 1.00 0.00 C ATOM 100 CG PRO A 10 -3.280 -13.357 -8.118 1.00 0.00 C ATOM 101 CD PRO A 10 -3.401 -14.623 -7.317 1.00 0.00 C ATOM 0 HA PRO A 10 -4.988 -12.518 -5.400 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.183 -11.436 -7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.004 -11.863 -6.607 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.858 -13.422 -9.040 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.244 -13.174 -8.404 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.615 -15.482 -7.953 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.480 -14.847 -6.778 1.00 0.00 H new ATOM 109 N PRO A 11 -7.178 -12.083 -6.294 1.00 0.00 N ATOM 110 CA PRO A 11 -8.534 -11.793 -6.772 1.00 0.00 C ATOM 111 C PRO A 11 -8.550 -10.707 -7.842 1.00 0.00 C ATOM 112 O PRO A 11 -9.267 -10.814 -8.837 1.00 0.00 O ATOM 113 CB PRO A 11 -9.259 -11.313 -5.512 1.00 0.00 C ATOM 114 CG PRO A 11 -8.180 -10.782 -4.633 1.00 0.00 C ATOM 115 CD PRO A 11 -6.967 -11.625 -4.910 1.00 0.00 C ATOM 0 HA PRO A 11 -8.996 -12.662 -7.241 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.993 -10.542 -5.747 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.797 -12.129 -5.030 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.983 -9.732 -4.848 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.466 -10.844 -3.583 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.047 -11.049 -4.813 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.893 -12.463 -4.216 1.00 0.00 H new ATOM 123 N ARG A 12 -7.757 -9.662 -7.631 1.00 0.00 N ATOM 124 CA ARG A 12 -7.681 -8.556 -8.578 1.00 0.00 C ATOM 125 C ARG A 12 -6.278 -7.958 -8.605 1.00 0.00 C ATOM 126 O ARG A 12 -5.374 -8.436 -7.919 1.00 0.00 O ATOM 127 CB ARG A 12 -8.701 -7.475 -8.214 1.00 0.00 C ATOM 128 CG ARG A 12 -10.127 -7.825 -8.606 1.00 0.00 C ATOM 129 CD ARG A 12 -10.330 -7.729 -10.110 1.00 0.00 C ATOM 130 NE ARG A 12 -11.640 -8.229 -10.519 1.00 0.00 N ATOM 131 CZ ARG A 12 -12.781 -7.602 -10.256 1.00 0.00 C ATOM 132 NH1 ARG A 12 -12.773 -6.457 -9.589 1.00 0.00 N ATOM 133 NH2 ARG A 12 -13.933 -8.121 -10.661 1.00 0.00 N ATOM 0 H ARG A 12 -7.158 -9.558 -6.812 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.910 -8.944 -9.570 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.662 -7.298 -7.139 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.418 -6.542 -8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.361 -8.835 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.820 -7.153 -8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.224 -6.691 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.551 -8.297 -10.618 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.681 -9.108 -11.035 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.889 -6.055 -9.276 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.651 -5.978 -9.388 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.943 -9.002 -11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.809 -7.639 -10.459 1.00 0.00 H new ATOM 147 N HIS A 13 -6.102 -6.909 -9.402 1.00 0.00 N ATOM 148 CA HIS A 13 -4.809 -6.245 -9.519 1.00 0.00 C ATOM 149 C HIS A 13 -4.796 -4.938 -8.733 1.00 0.00 C ATOM 150 O HIS A 13 -5.848 -4.366 -8.442 1.00 0.00 O ATOM 151 CB HIS A 13 -4.481 -5.974 -10.988 1.00 0.00 C ATOM 152 CG HIS A 13 -3.013 -5.872 -11.265 1.00 0.00 C ATOM 153 ND1 HIS A 13 -2.124 -6.892 -10.997 1.00 0.00 N ATOM 154 CD2 HIS A 13 -2.280 -4.864 -11.792 1.00 0.00 C ATOM 155 CE1 HIS A 13 -0.907 -6.514 -11.346 1.00 0.00 C ATOM 156 NE2 HIS A 13 -0.974 -5.288 -11.831 1.00 0.00 N ATOM 0 H HIS A 13 -6.839 -6.500 -9.977 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.050 -6.907 -9.102 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -4.903 -6.772 -11.599 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.966 -5.047 -11.295 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.652 -3.905 -12.121 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -0.010 -7.107 -11.251 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -0.184 -4.744 -12.178 1.00 0.00 H new ATOM 165 N LEU A 14 -3.601 -4.470 -8.392 1.00 0.00 N ATOM 166 CA LEU A 14 -3.451 -3.229 -7.639 1.00 0.00 C ATOM 167 C LEU A 14 -3.191 -2.052 -8.574 1.00 0.00 C ATOM 168 O LEU A 14 -3.096 -2.221 -9.789 1.00 0.00 O ATOM 169 CB LEU A 14 -2.307 -3.356 -6.631 1.00 0.00 C ATOM 170 CG LEU A 14 -2.684 -3.903 -5.253 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.436 -4.210 -4.441 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.576 -2.916 -4.514 1.00 0.00 C ATOM 0 H LEU A 14 -2.721 -4.931 -8.625 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.382 -3.044 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.542 -4.003 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.855 -2.373 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.239 -4.831 -5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.724 -4.598 -3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.835 -4.954 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.853 -3.298 -4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.835 -3.321 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.047 -1.972 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.486 -2.747 -5.089 1.00 0.00 H new ATOM 184 N GLY A 15 -3.076 -0.859 -7.998 1.00 0.00 N ATOM 185 CA GLY A 15 -2.826 0.328 -8.794 1.00 0.00 C ATOM 186 C GLY A 15 -2.285 1.477 -7.967 1.00 0.00 C ATOM 187 O GLY A 15 -2.768 1.740 -6.866 1.00 0.00 O ATOM 0 H GLY A 15 -3.152 -0.694 -6.994 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.116 0.088 -9.585 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.752 0.638 -9.279 1.00 0.00 H new ATOM 191 N PHE A 16 -1.278 2.163 -8.498 1.00 0.00 N ATOM 192 CA PHE A 16 -0.668 3.289 -7.800 1.00 0.00 C ATOM 193 C PHE A 16 -0.884 4.588 -8.572 1.00 0.00 C ATOM 194 O PHE A 16 -0.520 4.695 -9.743 1.00 0.00 O ATOM 195 CB PHE A 16 0.829 3.043 -7.602 1.00 0.00 C ATOM 196 CG PHE A 16 1.131 1.884 -6.696 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.878 1.966 -5.336 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.668 0.712 -7.204 1.00 0.00 C ATOM 199 CE1 PHE A 16 1.155 0.901 -4.500 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.946 -0.356 -6.373 1.00 0.00 C ATOM 201 CZ PHE A 16 1.690 -0.262 -5.019 1.00 0.00 C ATOM 0 H PHE A 16 -0.867 1.959 -9.409 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.146 3.382 -6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.291 2.865 -8.573 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.286 3.943 -7.192 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.460 2.873 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.872 0.633 -8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.953 0.978 -3.442 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.363 -1.264 -6.782 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.908 -1.096 -4.368 1.00 0.00 H new ATOM 211 N SER A 17 -1.479 5.572 -7.906 1.00 0.00 N ATOM 212 CA SER A 17 -1.748 6.863 -8.529 1.00 0.00 C ATOM 213 C SER A 17 -1.310 8.007 -7.620 1.00 0.00 C ATOM 214 O SER A 17 -1.188 7.838 -6.406 1.00 0.00 O ATOM 215 CB SER A 17 -3.237 6.996 -8.854 1.00 0.00 C ATOM 216 OG SER A 17 -3.522 6.504 -10.152 1.00 0.00 O ATOM 0 H SER A 17 -1.784 5.500 -6.935 1.00 0.00 H new ATOM 0 HA SER A 17 -1.175 6.918 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.824 6.448 -8.117 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.535 8.042 -8.785 1.00 0.00 H new ATOM 0 HG SER A 17 -4.480 6.599 -10.335 1.00 0.00 H new ATOM 222 N ASP A 18 -1.076 9.171 -8.215 1.00 0.00 N ATOM 223 CA ASP A 18 -0.653 10.345 -7.460 1.00 0.00 C ATOM 224 C ASP A 18 0.544 10.017 -6.572 1.00 0.00 C ATOM 225 O ASP A 18 0.632 10.480 -5.435 1.00 0.00 O ATOM 226 CB ASP A 18 -1.807 10.872 -6.607 1.00 0.00 C ATOM 227 CG ASP A 18 -1.728 12.371 -6.389 1.00 0.00 C ATOM 228 OD1 ASP A 18 -0.600 12.902 -6.317 1.00 0.00 O ATOM 229 OD2 ASP A 18 -2.795 13.012 -6.291 1.00 0.00 O ATOM 0 H ASP A 18 -1.172 9.327 -9.218 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.355 11.116 -8.171 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.753 10.627 -7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.802 10.366 -5.641 1.00 0.00 H new ATOM 234 N VAL A 19 1.463 9.214 -7.099 1.00 0.00 N ATOM 235 CA VAL A 19 2.655 8.825 -6.355 1.00 0.00 C ATOM 236 C VAL A 19 3.627 9.992 -6.223 1.00 0.00 C ATOM 237 O VAL A 19 4.014 10.606 -7.217 1.00 0.00 O ATOM 238 CB VAL A 19 3.377 7.643 -7.030 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.578 7.209 -6.204 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.416 6.482 -7.241 1.00 0.00 C ATOM 0 H VAL A 19 1.405 8.820 -8.038 1.00 0.00 H new ATOM 0 HA VAL A 19 2.323 8.520 -5.363 1.00 0.00 H new ATOM 0 HB VAL A 19 3.737 7.969 -8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.075 6.373 -6.696 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.275 8.042 -6.110 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.246 6.900 -5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.943 5.656 -7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.024 6.154 -6.278 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.592 6.803 -7.878 1.00 0.00 H new ATOM 250 N SER A 20 4.018 10.292 -4.989 1.00 0.00 N ATOM 251 CA SER A 20 4.943 11.388 -4.726 1.00 0.00 C ATOM 252 C SER A 20 6.240 10.869 -4.112 1.00 0.00 C ATOM 253 O SER A 20 6.403 9.667 -3.900 1.00 0.00 O ATOM 254 CB SER A 20 4.298 12.415 -3.793 1.00 0.00 C ATOM 255 OG SER A 20 4.828 13.710 -4.016 1.00 0.00 O ATOM 0 H SER A 20 3.709 9.792 -4.156 1.00 0.00 H new ATOM 0 HA SER A 20 5.178 11.868 -5.676 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.220 12.428 -3.951 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.465 12.124 -2.756 1.00 0.00 H new ATOM 0 HG SER A 20 4.399 14.348 -3.409 1.00 0.00 H new ATOM 261 N HIS A 21 7.160 11.785 -3.827 1.00 0.00 N ATOM 262 CA HIS A 21 8.443 11.421 -3.236 1.00 0.00 C ATOM 263 C HIS A 21 8.333 11.320 -1.718 1.00 0.00 C ATOM 264 O HIS A 21 9.282 10.924 -1.042 1.00 0.00 O ATOM 265 CB HIS A 21 9.512 12.447 -3.614 1.00 0.00 C ATOM 266 CG HIS A 21 9.009 13.858 -3.631 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.505 14.464 -4.762 1.00 0.00 N ATOM 268 CD2 HIS A 21 8.933 14.782 -2.645 1.00 0.00 C ATOM 269 CE1 HIS A 21 8.142 15.701 -4.471 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.391 15.919 -3.193 1.00 0.00 N ATOM 0 H HIS A 21 7.041 12.784 -3.996 1.00 0.00 H new ATOM 0 HA HIS A 21 8.731 10.445 -3.628 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.340 12.374 -2.909 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.909 12.200 -4.598 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.241 14.650 -1.618 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.714 16.413 -5.162 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.210 16.790 -2.694 1.00 0.00 H new ATOM 279 N ASP A 22 7.170 11.683 -1.189 1.00 0.00 N ATOM 280 CA ASP A 22 6.935 11.633 0.250 1.00 0.00 C ATOM 281 C ASP A 22 5.587 10.989 0.558 1.00 0.00 C ATOM 282 O ASP A 22 5.098 11.059 1.686 1.00 0.00 O ATOM 283 CB ASP A 22 6.991 13.040 0.846 1.00 0.00 C ATOM 284 CG ASP A 22 6.061 14.006 0.139 1.00 0.00 C ATOM 285 OD1 ASP A 22 4.838 13.752 0.129 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.555 15.015 -0.405 1.00 0.00 O ATOM 0 H ASP A 22 6.375 12.015 -1.735 1.00 0.00 H new ATOM 0 HA ASP A 22 7.719 11.025 0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.728 12.994 1.903 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.013 13.416 0.788 1.00 0.00 H new ATOM 291 N ALA A 23 4.991 10.363 -0.451 1.00 0.00 N ATOM 292 CA ALA A 23 3.700 9.706 -0.287 1.00 0.00 C ATOM 293 C ALA A 23 3.316 8.930 -1.542 1.00 0.00 C ATOM 294 O ALA A 23 3.938 9.082 -2.593 1.00 0.00 O ATOM 295 CB ALA A 23 2.626 10.730 0.052 1.00 0.00 C ATOM 0 H ALA A 23 5.382 10.297 -1.391 1.00 0.00 H new ATOM 0 HA ALA A 23 3.783 8.996 0.536 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.667 10.226 0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.887 11.238 0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.553 11.461 -0.753 1.00 0.00 H new ATOM 301 N ALA A 24 2.287 8.097 -1.425 1.00 0.00 N ATOM 302 CA ALA A 24 1.819 7.298 -2.551 1.00 0.00 C ATOM 303 C ALA A 24 0.436 6.718 -2.276 1.00 0.00 C ATOM 304 O ALA A 24 0.215 6.074 -1.251 1.00 0.00 O ATOM 305 CB ALA A 24 2.809 6.183 -2.855 1.00 0.00 C ATOM 0 H ALA A 24 1.762 7.958 -0.562 1.00 0.00 H new ATOM 0 HA ALA A 24 1.744 7.951 -3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.447 5.595 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.778 6.615 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.912 5.540 -1.981 1.00 0.00 H new ATOM 311 N ARG A 25 -0.493 6.953 -3.197 1.00 0.00 N ATOM 312 CA ARG A 25 -1.856 6.455 -3.052 1.00 0.00 C ATOM 313 C ARG A 25 -2.007 5.084 -3.705 1.00 0.00 C ATOM 314 O ARG A 25 -1.559 4.869 -4.831 1.00 0.00 O ATOM 315 CB ARG A 25 -2.849 7.439 -3.673 1.00 0.00 C ATOM 316 CG ARG A 25 -4.298 7.150 -3.314 1.00 0.00 C ATOM 317 CD ARG A 25 -5.236 8.195 -3.897 1.00 0.00 C ATOM 318 NE ARG A 25 -4.908 9.542 -3.438 1.00 0.00 N ATOM 319 CZ ARG A 25 -5.552 10.633 -3.839 1.00 0.00 C ATOM 320 NH1 ARG A 25 -6.553 10.536 -4.702 1.00 0.00 N ATOM 321 NH2 ARG A 25 -5.194 11.824 -3.375 1.00 0.00 N ATOM 0 H ARG A 25 -0.327 7.485 -4.051 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.069 6.357 -1.988 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.598 8.449 -3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.741 7.416 -4.757 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.576 6.163 -3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.407 7.126 -2.230 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.185 8.161 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.262 7.957 -3.618 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.142 9.651 -2.773 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.831 9.622 -5.060 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.046 11.375 -5.008 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.424 11.902 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.689 12.661 -3.683 1.00 0.00 H new ATOM 335 N VAL A 26 -2.640 4.160 -2.989 1.00 0.00 N ATOM 336 CA VAL A 26 -2.850 2.810 -3.498 1.00 0.00 C ATOM 337 C VAL A 26 -4.336 2.486 -3.598 1.00 0.00 C ATOM 338 O VAL A 26 -5.072 2.585 -2.615 1.00 0.00 O ATOM 339 CB VAL A 26 -2.165 1.760 -2.604 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.617 1.912 -1.160 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.452 0.357 -3.116 1.00 0.00 C ATOM 0 H VAL A 26 -3.016 4.322 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.406 2.774 -4.493 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.088 1.923 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.123 1.162 -0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.356 2.907 -0.800 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.697 1.776 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.960 -0.373 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.528 0.180 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.074 0.257 -4.133 1.00 0.00 H new ATOM 351 N PHE A 27 -4.773 2.097 -4.791 1.00 0.00 N ATOM 352 CA PHE A 27 -6.173 1.758 -5.020 1.00 0.00 C ATOM 353 C PHE A 27 -6.303 0.364 -5.626 1.00 0.00 C ATOM 354 O PHE A 27 -5.532 -0.015 -6.509 1.00 0.00 O ATOM 355 CB PHE A 27 -6.826 2.790 -5.942 1.00 0.00 C ATOM 356 CG PHE A 27 -6.296 2.759 -7.347 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.645 1.732 -8.210 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.450 3.756 -7.805 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.158 1.701 -9.503 1.00 0.00 C ATOM 360 CE2 PHE A 27 -4.961 3.730 -9.098 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.316 2.701 -9.948 1.00 0.00 C ATOM 0 H PHE A 27 -4.178 2.009 -5.615 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.685 1.766 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.902 2.616 -5.964 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.672 3.786 -5.526 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.304 0.948 -7.868 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.169 4.563 -7.144 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.436 0.895 -10.165 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.302 4.513 -9.443 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.936 2.678 -10.959 1.00 0.00 H new ATOM 371 N TRP A 28 -7.281 -0.394 -5.146 1.00 0.00 N ATOM 372 CA TRP A 28 -7.512 -1.747 -5.640 1.00 0.00 C ATOM 373 C TRP A 28 -8.843 -1.837 -6.379 1.00 0.00 C ATOM 374 O TRP A 28 -9.662 -0.922 -6.312 1.00 0.00 O ATOM 375 CB TRP A 28 -7.490 -2.746 -4.481 1.00 0.00 C ATOM 376 CG TRP A 28 -8.186 -2.245 -3.252 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.409 -2.635 -2.786 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.700 -1.260 -2.333 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.713 -1.952 -1.633 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.681 -1.103 -1.334 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.532 -0.498 -2.256 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.527 -0.214 -0.273 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.381 0.384 -1.203 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.373 0.520 -0.223 1.00 0.00 C ATOM 0 H TRP A 28 -7.927 -0.096 -4.415 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.712 -1.993 -6.338 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -7.960 -3.675 -4.803 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.455 -2.981 -4.233 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.044 -3.372 -3.255 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.569 -2.060 -1.088 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.761 -0.596 -3.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.291 -0.108 0.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.482 0.979 -1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.224 1.218 0.588 1.00 0.00 H new ATOM 395 N GLU A 29 -9.050 -2.946 -7.083 1.00 0.00 N ATOM 396 CA GLU A 29 -10.282 -3.153 -7.835 1.00 0.00 C ATOM 397 C GLU A 29 -11.329 -3.861 -6.980 1.00 0.00 C ATOM 398 O GLU A 29 -12.321 -4.376 -7.494 1.00 0.00 O ATOM 399 CB GLU A 29 -10.003 -3.969 -9.099 1.00 0.00 C ATOM 400 CG GLU A 29 -9.042 -3.291 -10.061 1.00 0.00 C ATOM 401 CD GLU A 29 -9.446 -1.865 -10.381 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.496 -1.676 -11.028 1.00 0.00 O ATOM 403 OE2 GLU A 29 -8.710 -0.937 -9.983 1.00 0.00 O ATOM 0 H GLU A 29 -8.381 -3.714 -7.148 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.672 -2.176 -8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.594 -4.938 -8.813 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.945 -4.160 -9.614 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.041 -3.293 -9.630 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.992 -3.867 -10.985 1.00 0.00 H new ATOM 410 N GLY A 30 -11.098 -3.884 -5.670 1.00 0.00 N ATOM 411 CA GLY A 30 -12.029 -4.532 -4.765 1.00 0.00 C ATOM 412 C GLY A 30 -12.016 -6.041 -4.902 1.00 0.00 C ATOM 413 O GLY A 30 -11.348 -6.585 -5.781 1.00 0.00 O ATOM 0 H GLY A 30 -10.284 -3.466 -5.220 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.781 -4.261 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.036 -4.162 -4.958 1.00 0.00 H new ATOM 417 N ALA A 31 -12.754 -6.720 -4.030 1.00 0.00 N ATOM 418 CA ALA A 31 -12.825 -8.175 -4.058 1.00 0.00 C ATOM 419 C ALA A 31 -14.232 -8.650 -4.406 1.00 0.00 C ATOM 420 O ALA A 31 -15.208 -7.907 -4.297 1.00 0.00 O ATOM 421 CB ALA A 31 -12.387 -8.751 -2.720 1.00 0.00 C ATOM 0 H ALA A 31 -13.311 -6.285 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.147 -8.532 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.445 -9.839 -2.756 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.360 -8.449 -2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.041 -8.378 -1.932 1.00 0.00 H new ATOM 427 N PRO A 32 -14.341 -9.916 -4.834 1.00 0.00 N ATOM 428 CA PRO A 32 -15.625 -10.518 -5.207 1.00 0.00 C ATOM 429 C PRO A 32 -16.531 -10.744 -4.001 1.00 0.00 C ATOM 430 O PRO A 32 -17.706 -11.079 -4.149 1.00 0.00 O ATOM 431 CB PRO A 32 -15.222 -11.856 -5.831 1.00 0.00 C ATOM 432 CG PRO A 32 -13.903 -12.178 -5.218 1.00 0.00 C ATOM 433 CD PRO A 32 -13.220 -10.858 -4.988 1.00 0.00 C ATOM 0 HA PRO A 32 -16.197 -9.875 -5.876 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.958 -12.631 -5.616 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.146 -11.780 -6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.030 -12.720 -4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.311 -12.814 -5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.590 -10.881 -4.099 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.579 -10.586 -5.826 1.00 0.00 H new ATOM 441 N ARG A 33 -15.976 -10.558 -2.807 1.00 0.00 N ATOM 442 CA ARG A 33 -16.734 -10.743 -1.576 1.00 0.00 C ATOM 443 C ARG A 33 -16.735 -9.466 -0.741 1.00 0.00 C ATOM 444 O ARG A 33 -15.848 -8.620 -0.855 1.00 0.00 O ATOM 445 CB ARG A 33 -16.150 -11.898 -0.760 1.00 0.00 C ATOM 446 CG ARG A 33 -14.633 -11.868 -0.662 1.00 0.00 C ATOM 447 CD ARG A 33 -14.109 -13.002 0.204 1.00 0.00 C ATOM 448 NE ARG A 33 -13.867 -14.217 -0.571 1.00 0.00 N ATOM 449 CZ ARG A 33 -13.430 -15.353 -0.039 1.00 0.00 C ATOM 450 NH1 ARG A 33 -13.189 -15.430 1.262 1.00 0.00 N ATOM 451 NH2 ARG A 33 -13.234 -16.415 -0.810 1.00 0.00 N ATOM 0 H ARG A 33 -15.005 -10.280 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.763 -10.982 -1.845 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.571 -11.871 0.245 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.458 -12.842 -1.210 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.201 -11.941 -1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.313 -10.913 -0.246 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.183 -12.690 0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.827 -13.214 0.996 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.043 -14.191 -1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.339 -14.616 1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.854 -16.304 1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.419 -16.359 -1.812 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.898 -17.287 -0.401 1.00 0.00 H new ATOM 465 N PRO A 34 -17.754 -9.322 0.120 1.00 0.00 N ATOM 466 CA PRO A 34 -17.895 -8.151 0.991 1.00 0.00 C ATOM 467 C PRO A 34 -16.835 -8.113 2.087 1.00 0.00 C ATOM 468 O PRO A 34 -16.454 -9.149 2.632 1.00 0.00 O ATOM 469 CB PRO A 34 -19.288 -8.328 1.600 1.00 0.00 C ATOM 470 CG PRO A 34 -19.541 -9.795 1.547 1.00 0.00 C ATOM 471 CD PRO A 34 -18.847 -10.291 0.309 1.00 0.00 C ATOM 0 HA PRO A 34 -17.770 -7.217 0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.322 -7.957 2.624 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.040 -7.776 1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.153 -10.290 2.437 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.610 -10.005 1.506 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.468 -11.304 0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.520 -10.310 -0.548 1.00 0.00 H new ATOM 479 N VAL A 35 -16.363 -6.912 2.405 1.00 0.00 N ATOM 480 CA VAL A 35 -15.348 -6.739 3.438 1.00 0.00 C ATOM 481 C VAL A 35 -15.855 -5.843 4.562 1.00 0.00 C ATOM 482 O VAL A 35 -16.573 -4.872 4.320 1.00 0.00 O ATOM 483 CB VAL A 35 -14.055 -6.136 2.858 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.039 -5.889 3.963 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.477 -7.045 1.785 1.00 0.00 C ATOM 0 H VAL A 35 -16.667 -6.045 1.963 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.131 -7.729 3.838 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.296 -5.178 2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.132 -5.463 3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.456 -5.195 4.693 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.800 -6.832 4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.564 -6.603 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.250 -8.019 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.203 -7.165 0.981 1.00 0.00 H new ATOM 495 N ARG A 36 -15.476 -6.174 5.792 1.00 0.00 N ATOM 496 CA ARG A 36 -15.893 -5.400 6.955 1.00 0.00 C ATOM 497 C ARG A 36 -14.812 -4.402 7.359 1.00 0.00 C ATOM 498 O ARG A 36 -15.101 -3.367 7.961 1.00 0.00 O ATOM 499 CB ARG A 36 -16.209 -6.330 8.127 1.00 0.00 C ATOM 500 CG ARG A 36 -15.029 -7.184 8.562 1.00 0.00 C ATOM 501 CD ARG A 36 -15.134 -7.574 10.028 1.00 0.00 C ATOM 502 NE ARG A 36 -15.134 -6.406 10.906 1.00 0.00 N ATOM 503 CZ ARG A 36 -15.217 -6.482 12.229 1.00 0.00 C ATOM 504 NH1 ARG A 36 -15.306 -7.663 12.825 1.00 0.00 N ATOM 505 NH2 ARG A 36 -15.210 -5.375 12.960 1.00 0.00 N ATOM 0 H ARG A 36 -14.881 -6.973 6.009 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.793 -4.846 6.688 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.546 -5.732 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -17.036 -6.983 7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.983 -8.083 7.948 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.101 -6.637 8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.048 -8.147 10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.300 -8.225 10.291 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.067 -5.482 10.479 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.311 -8.517 12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.370 -7.718 13.842 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.141 -4.464 12.506 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.274 -5.435 13.976 1.00 0.00 H new ATOM 519 N LEU A 37 -13.566 -4.720 7.026 1.00 0.00 N ATOM 520 CA LEU A 37 -12.441 -3.853 7.355 1.00 0.00 C ATOM 521 C LEU A 37 -11.271 -4.095 6.406 1.00 0.00 C ATOM 522 O LEU A 37 -11.103 -5.195 5.879 1.00 0.00 O ATOM 523 CB LEU A 37 -11.997 -4.085 8.800 1.00 0.00 C ATOM 524 CG LEU A 37 -10.877 -3.180 9.313 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.288 -1.718 9.222 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.509 -3.544 10.743 1.00 0.00 C ATOM 0 H LEU A 37 -13.310 -5.572 6.528 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.767 -2.819 7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.864 -3.960 9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.673 -5.121 8.897 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.999 -3.329 8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.478 -1.089 9.592 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.500 -1.464 8.184 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.180 -1.553 9.826 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.710 -2.889 11.091 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.382 -3.425 11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.171 -4.580 10.779 1.00 0.00 H new ATOM 538 N VAL A 38 -10.462 -3.061 6.196 1.00 0.00 N ATOM 539 CA VAL A 38 -9.305 -3.163 5.314 1.00 0.00 C ATOM 540 C VAL A 38 -8.032 -2.720 6.025 1.00 0.00 C ATOM 541 O VAL A 38 -7.914 -1.571 6.451 1.00 0.00 O ATOM 542 CB VAL A 38 -9.492 -2.313 4.043 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.270 -2.420 3.144 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.750 -2.737 3.299 1.00 0.00 C ATOM 0 H VAL A 38 -10.586 -2.144 6.624 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.214 -4.212 5.031 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.606 -1.270 4.338 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.421 -1.813 2.251 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.391 -2.064 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.121 -3.460 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.867 -2.126 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.668 -3.786 3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.617 -2.603 3.945 1.00 0.00 H new ATOM 554 N ARG A 39 -7.080 -3.640 6.150 1.00 0.00 N ATOM 555 CA ARG A 39 -5.815 -3.344 6.811 1.00 0.00 C ATOM 556 C ARG A 39 -4.658 -3.394 5.817 1.00 0.00 C ATOM 557 O ARG A 39 -4.339 -4.450 5.271 1.00 0.00 O ATOM 558 CB ARG A 39 -5.565 -4.336 7.949 1.00 0.00 C ATOM 559 CG ARG A 39 -4.639 -3.802 9.030 1.00 0.00 C ATOM 560 CD ARG A 39 -3.179 -4.052 8.685 1.00 0.00 C ATOM 561 NE ARG A 39 -2.706 -5.333 9.202 1.00 0.00 N ATOM 562 CZ ARG A 39 -2.684 -6.452 8.486 1.00 0.00 C ATOM 563 NH1 ARG A 39 -3.104 -6.446 7.228 1.00 0.00 N ATOM 564 NH2 ARG A 39 -2.239 -7.579 9.026 1.00 0.00 N ATOM 0 H ARG A 39 -7.161 -4.595 5.802 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.876 -2.337 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.520 -4.606 8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.138 -5.250 7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.806 -2.733 9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.876 -4.278 9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.053 -4.029 7.603 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.567 -3.248 9.094 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.374 -5.371 10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.445 -5.581 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.086 -7.306 6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.913 -7.587 9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.223 -8.437 8.475 1.00 0.00 H new ATOM 578 N VAL A 40 -4.033 -2.243 5.586 1.00 0.00 N ATOM 579 CA VAL A 40 -2.912 -2.155 4.658 1.00 0.00 C ATOM 580 C VAL A 40 -1.590 -2.019 5.405 1.00 0.00 C ATOM 581 O VAL A 40 -1.538 -1.465 6.504 1.00 0.00 O ATOM 582 CB VAL A 40 -3.071 -0.961 3.698 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.034 -1.028 2.587 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.479 -0.925 3.123 1.00 0.00 C ATOM 0 H VAL A 40 -4.284 -1.359 6.029 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.906 -3.079 4.080 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.908 -0.041 4.259 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.162 -0.177 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.034 -1.002 3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.162 -1.953 2.025 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.574 -0.075 2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.672 -1.848 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.201 -0.826 3.934 1.00 0.00 H new ATOM 594 N THR A 41 -0.521 -2.529 4.802 1.00 0.00 N ATOM 595 CA THR A 41 0.803 -2.465 5.410 1.00 0.00 C ATOM 596 C THR A 41 1.887 -2.306 4.350 1.00 0.00 C ATOM 597 O THR A 41 2.114 -3.205 3.540 1.00 0.00 O ATOM 598 CB THR A 41 1.098 -3.725 6.245 1.00 0.00 C ATOM 599 OG1 THR A 41 0.682 -4.895 5.531 1.00 0.00 O ATOM 600 CG2 THR A 41 0.385 -3.664 7.587 1.00 0.00 C ATOM 0 H THR A 41 -0.546 -2.991 3.893 1.00 0.00 H new ATOM 0 HA THR A 41 0.809 -1.594 6.065 1.00 0.00 H new ATOM 0 HB THR A 41 2.172 -3.772 6.424 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.972 -4.829 4.597 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.608 -4.565 8.159 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.725 -2.789 8.140 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.691 -3.595 7.425 1.00 0.00 H new ATOM 608 N TYR A 42 2.555 -1.158 4.363 1.00 0.00 N ATOM 609 CA TYR A 42 3.616 -0.881 3.402 1.00 0.00 C ATOM 610 C TYR A 42 4.987 -0.960 4.065 1.00 0.00 C ATOM 611 O TYR A 42 5.117 -0.767 5.274 1.00 0.00 O ATOM 612 CB TYR A 42 3.418 0.502 2.777 1.00 0.00 C ATOM 613 CG TYR A 42 3.220 1.603 3.795 1.00 0.00 C ATOM 614 CD1 TYR A 42 1.996 1.779 4.427 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.258 2.466 4.124 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.810 2.784 5.356 1.00 0.00 C ATOM 617 CE2 TYR A 42 4.082 3.473 5.053 1.00 0.00 C ATOM 618 CZ TYR A 42 2.856 3.629 5.666 1.00 0.00 C ATOM 619 OH TYR A 42 2.675 4.630 6.592 1.00 0.00 O ATOM 0 H TYR A 42 2.381 -0.405 5.028 1.00 0.00 H new ATOM 0 HA TYR A 42 3.568 -1.637 2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.284 0.740 2.160 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.553 0.472 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.175 1.119 4.188 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.219 2.347 3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.851 2.908 5.837 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.900 4.135 5.298 1.00 0.00 H new ATOM 0 HH TYR A 42 3.509 5.134 6.696 1.00 0.00 H new ATOM 629 N VAL A 43 6.009 -1.245 3.264 1.00 0.00 N ATOM 630 CA VAL A 43 7.372 -1.348 3.772 1.00 0.00 C ATOM 631 C VAL A 43 8.385 -0.912 2.719 1.00 0.00 C ATOM 632 O VAL A 43 8.193 -1.141 1.525 1.00 0.00 O ATOM 633 CB VAL A 43 7.698 -2.786 4.216 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.659 -3.735 3.028 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.054 -2.837 4.905 1.00 0.00 C ATOM 0 H VAL A 43 5.919 -1.409 2.261 1.00 0.00 H new ATOM 0 HA VAL A 43 7.439 -0.685 4.634 1.00 0.00 H new ATOM 0 HB VAL A 43 6.940 -3.106 4.931 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.892 -4.746 3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.664 -3.720 2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.393 -3.420 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.268 -3.861 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.826 -2.496 4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.041 -2.190 5.782 1.00 0.00 H new ATOM 645 N SER A 44 9.465 -0.281 3.170 1.00 0.00 N ATOM 646 CA SER A 44 10.508 0.191 2.267 1.00 0.00 C ATOM 647 C SER A 44 11.249 -0.982 1.633 1.00 0.00 C ATOM 648 O SER A 44 11.057 -1.289 0.456 1.00 0.00 O ATOM 649 CB SER A 44 11.495 1.087 3.018 1.00 0.00 C ATOM 650 OG SER A 44 12.595 1.435 2.195 1.00 0.00 O ATOM 0 H SER A 44 9.640 -0.085 4.156 1.00 0.00 H new ATOM 0 HA SER A 44 10.034 0.770 1.474 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.987 1.991 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.852 0.572 3.910 1.00 0.00 H new ATOM 0 HG SER A 44 13.210 2.009 2.697 1.00 0.00 H new ATOM 656 N SER A 45 12.097 -1.634 2.421 1.00 0.00 N ATOM 657 CA SER A 45 12.871 -2.771 1.937 1.00 0.00 C ATOM 658 C SER A 45 13.612 -3.452 3.084 1.00 0.00 C ATOM 659 O SER A 45 13.716 -2.904 4.181 1.00 0.00 O ATOM 660 CB SER A 45 13.868 -2.318 0.868 1.00 0.00 C ATOM 661 OG SER A 45 14.665 -3.402 0.423 1.00 0.00 O ATOM 0 H SER A 45 12.266 -1.394 3.398 1.00 0.00 H new ATOM 0 HA SER A 45 12.179 -3.489 1.498 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.330 -1.887 0.024 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.508 -1.534 1.272 1.00 0.00 H new ATOM 0 HG SER A 45 15.293 -3.087 -0.261 1.00 0.00 H new ATOM 667 N GLU A 46 14.124 -4.650 2.821 1.00 0.00 N ATOM 668 CA GLU A 46 14.855 -5.406 3.831 1.00 0.00 C ATOM 669 C GLU A 46 14.105 -5.404 5.160 1.00 0.00 C ATOM 670 O GLU A 46 14.714 -5.439 6.229 1.00 0.00 O ATOM 671 CB GLU A 46 16.256 -4.823 4.022 1.00 0.00 C ATOM 672 CG GLU A 46 16.259 -3.434 4.638 1.00 0.00 C ATOM 673 CD GLU A 46 17.631 -3.017 5.130 1.00 0.00 C ATOM 674 OE1 GLU A 46 18.632 -3.595 4.659 1.00 0.00 O ATOM 675 OE2 GLU A 46 17.703 -2.111 5.987 1.00 0.00 O ATOM 0 H GLU A 46 14.046 -5.118 1.918 1.00 0.00 H new ATOM 0 HA GLU A 46 14.943 -6.436 3.485 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.836 -5.494 4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.759 -4.784 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.907 -2.713 3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.555 -3.408 5.470 1.00 0.00 H new ATOM 682 N GLY A 47 12.778 -5.361 5.085 1.00 0.00 N ATOM 683 CA GLY A 47 11.967 -5.354 6.288 1.00 0.00 C ATOM 684 C GLY A 47 12.404 -4.290 7.276 1.00 0.00 C ATOM 685 O GLY A 47 12.412 -4.521 8.484 1.00 0.00 O ATOM 0 H GLY A 47 12.251 -5.331 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.924 -5.189 6.018 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.022 -6.333 6.765 1.00 0.00 H new ATOM 689 N GLY A 48 12.769 -3.120 6.760 1.00 0.00 N ATOM 690 CA GLY A 48 13.206 -2.035 7.619 1.00 0.00 C ATOM 691 C GLY A 48 12.056 -1.163 8.081 1.00 0.00 C ATOM 692 O GLY A 48 11.260 -1.570 8.928 1.00 0.00 O ATOM 0 H GLY A 48 12.770 -2.904 5.763 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.717 -2.448 8.489 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.931 -1.422 7.084 1.00 0.00 H new ATOM 696 N HIS A 49 11.969 0.042 7.526 1.00 0.00 N ATOM 697 CA HIS A 49 10.908 0.975 7.888 1.00 0.00 C ATOM 698 C HIS A 49 9.603 0.613 7.185 1.00 0.00 C ATOM 699 O HIS A 49 9.516 0.651 5.958 1.00 0.00 O ATOM 700 CB HIS A 49 11.313 2.405 7.530 1.00 0.00 C ATOM 701 CG HIS A 49 10.149 3.328 7.339 1.00 0.00 C ATOM 702 ND1 HIS A 49 9.782 3.832 6.109 1.00 0.00 N ATOM 703 CD2 HIS A 49 9.267 3.836 8.231 1.00 0.00 C ATOM 704 CE1 HIS A 49 8.726 4.612 6.252 1.00 0.00 C ATOM 705 NE2 HIS A 49 8.392 4.631 7.530 1.00 0.00 N ATOM 0 H HIS A 49 12.620 0.395 6.824 1.00 0.00 H new ATOM 0 HA HIS A 49 10.751 0.908 8.965 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.954 2.800 8.318 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.906 2.388 6.616 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.253 3.651 9.295 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.221 5.144 5.459 1.00 0.00 H new ATOM 0 HE2 HIS A 49 7.612 5.151 7.931 1.00 0.00 H new ATOM 714 N SER A 50 8.590 0.261 7.972 1.00 0.00 N ATOM 715 CA SER A 50 7.291 -0.112 7.424 1.00 0.00 C ATOM 716 C SER A 50 6.162 0.561 8.198 1.00 0.00 C ATOM 717 O SER A 50 6.300 0.863 9.383 1.00 0.00 O ATOM 718 CB SER A 50 7.116 -1.631 7.462 1.00 0.00 C ATOM 719 OG SER A 50 7.028 -2.101 8.796 1.00 0.00 O ATOM 0 H SER A 50 8.644 0.226 8.990 1.00 0.00 H new ATOM 0 HA SER A 50 7.250 0.226 6.388 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.216 -1.910 6.915 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.956 -2.110 6.959 1.00 0.00 H new ATOM 0 HG SER A 50 6.915 -3.074 8.793 1.00 0.00 H new ATOM 725 N GLY A 51 5.043 0.794 7.518 1.00 0.00 N ATOM 726 CA GLY A 51 3.906 1.429 8.157 1.00 0.00 C ATOM 727 C GLY A 51 2.726 0.489 8.310 1.00 0.00 C ATOM 728 O GLY A 51 2.874 -0.726 8.186 1.00 0.00 O ATOM 0 H GLY A 51 4.904 0.554 6.536 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.204 1.796 9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.602 2.296 7.571 1.00 0.00 H new ATOM 732 N GLN A 52 1.554 1.053 8.581 1.00 0.00 N ATOM 733 CA GLN A 52 0.345 0.256 8.754 1.00 0.00 C ATOM 734 C GLN A 52 -0.879 1.151 8.919 1.00 0.00 C ATOM 735 O GLN A 52 -0.989 1.897 9.893 1.00 0.00 O ATOM 736 CB GLN A 52 0.486 -0.666 9.966 1.00 0.00 C ATOM 737 CG GLN A 52 -0.799 -1.393 10.330 1.00 0.00 C ATOM 738 CD GLN A 52 -0.737 -2.038 11.700 1.00 0.00 C ATOM 739 OE1 GLN A 52 0.343 -2.228 12.261 1.00 0.00 O ATOM 740 NE2 GLN A 52 -1.898 -2.378 12.248 1.00 0.00 N ATOM 0 H GLN A 52 1.416 2.058 8.686 1.00 0.00 H new ATOM 0 HA GLN A 52 0.209 -0.351 7.859 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.265 -1.401 9.764 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.816 -0.078 10.823 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.631 -0.689 10.301 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.003 -2.158 9.581 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.769 -2.202 11.747 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.918 -2.815 13.169 1.00 0.00 H new ATOM 749 N THR A 53 -1.797 1.072 7.961 1.00 0.00 N ATOM 750 CA THR A 53 -3.013 1.876 8.000 1.00 0.00 C ATOM 751 C THR A 53 -4.256 0.997 7.926 1.00 0.00 C ATOM 752 O THR A 53 -4.159 -0.214 7.729 1.00 0.00 O ATOM 753 CB THR A 53 -3.049 2.895 6.846 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.106 3.837 7.058 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.248 2.194 5.511 1.00 0.00 C ATOM 0 H THR A 53 -1.722 0.460 7.149 1.00 0.00 H new ATOM 0 HA THR A 53 -3.007 2.412 8.949 1.00 0.00 H new ATOM 0 HB THR A 53 -2.094 3.420 6.824 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.121 4.483 6.321 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.270 2.934 4.711 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.426 1.499 5.339 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.190 1.646 5.525 1.00 0.00 H new ATOM 763 N GLU A 54 -5.422 1.614 8.083 1.00 0.00 N ATOM 764 CA GLU A 54 -6.684 0.886 8.034 1.00 0.00 C ATOM 765 C GLU A 54 -7.732 1.667 7.246 1.00 0.00 C ATOM 766 O GLU A 54 -7.621 2.881 7.078 1.00 0.00 O ATOM 767 CB GLU A 54 -7.196 0.611 9.450 1.00 0.00 C ATOM 768 CG GLU A 54 -6.730 -0.719 10.017 1.00 0.00 C ATOM 769 CD GLU A 54 -7.694 -1.851 9.720 1.00 0.00 C ATOM 770 OE1 GLU A 54 -8.498 -1.711 8.774 1.00 0.00 O ATOM 771 OE2 GLU A 54 -7.646 -2.875 10.432 1.00 0.00 O ATOM 0 H GLU A 54 -5.519 2.616 8.245 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.506 -0.063 7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.865 1.414 10.109 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.286 0.632 9.444 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.751 -0.963 9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.606 -0.626 11.096 1.00 0.00 H new ATOM 778 N ALA A 55 -8.749 0.960 6.764 1.00 0.00 N ATOM 779 CA ALA A 55 -9.818 1.585 5.995 1.00 0.00 C ATOM 780 C ALA A 55 -11.094 0.752 6.050 1.00 0.00 C ATOM 781 O ALA A 55 -11.066 -0.456 6.285 1.00 0.00 O ATOM 782 CB ALA A 55 -9.380 1.788 4.552 1.00 0.00 C ATOM 0 H ALA A 55 -8.855 -0.046 6.893 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.031 2.557 6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.188 2.256 3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.500 2.431 4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.138 0.823 4.106 1.00 0.00 H new ATOM 788 N PRO A 56 -12.242 1.411 5.830 1.00 0.00 N ATOM 789 CA PRO A 56 -13.550 0.750 5.849 1.00 0.00 C ATOM 790 C PRO A 56 -13.745 -0.186 4.661 1.00 0.00 C ATOM 791 O PRO A 56 -13.139 0.000 3.607 1.00 0.00 O ATOM 792 CB PRO A 56 -14.538 1.917 5.778 1.00 0.00 C ATOM 793 CG PRO A 56 -13.781 3.014 5.112 1.00 0.00 C ATOM 794 CD PRO A 56 -12.350 2.851 5.543 1.00 0.00 C ATOM 0 HA PRO A 56 -13.675 0.120 6.730 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.428 1.648 5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.873 2.214 6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.872 2.948 4.028 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.168 3.990 5.406 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.657 3.158 4.760 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.124 3.454 6.422 1.00 0.00 H new ATOM 802 N GLY A 57 -14.595 -1.192 4.840 1.00 0.00 N ATOM 803 CA GLY A 57 -14.855 -2.142 3.774 1.00 0.00 C ATOM 804 C GLY A 57 -15.342 -1.470 2.505 1.00 0.00 C ATOM 805 O GLY A 57 -15.387 -2.092 1.444 1.00 0.00 O ATOM 0 H GLY A 57 -15.108 -1.366 5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.944 -2.701 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.600 -2.864 4.108 1.00 0.00 H new ATOM 809 N ASN A 58 -15.709 -0.198 2.615 1.00 0.00 N ATOM 810 CA ASN A 58 -16.198 0.558 1.467 1.00 0.00 C ATOM 811 C ASN A 58 -15.047 1.244 0.738 1.00 0.00 C ATOM 812 O ASN A 58 -15.114 1.475 -0.469 1.00 0.00 O ATOM 813 CB ASN A 58 -17.226 1.599 1.916 1.00 0.00 C ATOM 814 CG ASN A 58 -17.597 2.561 0.804 1.00 0.00 C ATOM 815 OD1 ASN A 58 -17.265 3.746 0.857 1.00 0.00 O ATOM 816 ND2 ASN A 58 -18.290 2.055 -0.209 1.00 0.00 N ATOM 0 H ASN A 58 -15.677 0.331 3.486 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.675 -0.140 0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.124 1.091 2.268 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.826 2.160 2.760 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -18.569 2.654 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -18.543 1.067 -0.211 1.00 0.00 H new ATOM 823 N ALA A 59 -13.993 1.568 1.479 1.00 0.00 N ATOM 824 CA ALA A 59 -12.826 2.225 0.903 1.00 0.00 C ATOM 825 C ALA A 59 -12.067 1.282 -0.024 1.00 0.00 C ATOM 826 O ALA A 59 -11.537 0.259 0.412 1.00 0.00 O ATOM 827 CB ALA A 59 -11.910 2.736 2.005 1.00 0.00 C ATOM 0 H ALA A 59 -13.923 1.386 2.480 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.172 3.073 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.043 3.224 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.451 3.451 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.579 1.899 2.620 1.00 0.00 H new ATOM 833 N THR A 60 -12.017 1.632 -1.305 1.00 0.00 N ATOM 834 CA THR A 60 -11.324 0.816 -2.294 1.00 0.00 C ATOM 835 C THR A 60 -9.919 1.347 -2.558 1.00 0.00 C ATOM 836 O THR A 60 -9.187 0.807 -3.387 1.00 0.00 O ATOM 837 CB THR A 60 -12.099 0.766 -3.624 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.568 2.074 -3.968 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.278 -0.191 -3.527 1.00 0.00 C ATOM 0 H THR A 60 -12.448 2.476 -1.682 1.00 0.00 H new ATOM 0 HA THR A 60 -11.258 -0.191 -1.882 1.00 0.00 H new ATOM 0 HB THR A 60 -11.422 0.408 -4.400 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.058 2.033 -4.816 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.810 -0.210 -4.478 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.916 -1.192 -3.294 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.954 0.143 -2.739 1.00 0.00 H new ATOM 847 N SER A 61 -9.549 2.407 -1.847 1.00 0.00 N ATOM 848 CA SER A 61 -8.233 3.013 -2.007 1.00 0.00 C ATOM 849 C SER A 61 -7.846 3.810 -0.765 1.00 0.00 C ATOM 850 O SER A 61 -8.707 4.239 0.003 1.00 0.00 O ATOM 851 CB SER A 61 -8.212 3.923 -3.237 1.00 0.00 C ATOM 852 OG SER A 61 -9.066 3.427 -4.253 1.00 0.00 O ATOM 0 H SER A 61 -10.142 2.864 -1.154 1.00 0.00 H new ATOM 0 HA SER A 61 -7.507 2.212 -2.144 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.524 4.929 -2.955 1.00 0.00 H new ATOM 0 HB3 SER A 61 -7.194 4.000 -3.619 1.00 0.00 H new ATOM 0 HG SER A 61 -9.110 4.074 -4.988 1.00 0.00 H new ATOM 858 N ALA A 62 -6.545 4.002 -0.574 1.00 0.00 N ATOM 859 CA ALA A 62 -6.044 4.748 0.574 1.00 0.00 C ATOM 860 C ALA A 62 -4.690 5.379 0.269 1.00 0.00 C ATOM 861 O ALA A 62 -3.984 4.946 -0.641 1.00 0.00 O ATOM 862 CB ALA A 62 -5.944 3.841 1.791 1.00 0.00 C ATOM 0 H ALA A 62 -5.819 3.652 -1.199 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.749 5.550 0.791 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.569 4.412 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.930 3.442 2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.262 3.018 1.577 1.00 0.00 H new ATOM 868 N MET A 63 -4.333 6.404 1.036 1.00 0.00 N ATOM 869 CA MET A 63 -3.062 7.094 0.848 1.00 0.00 C ATOM 870 C MET A 63 -2.024 6.604 1.852 1.00 0.00 C ATOM 871 O MET A 63 -2.353 6.287 2.996 1.00 0.00 O ATOM 872 CB MET A 63 -3.252 8.606 0.989 1.00 0.00 C ATOM 873 CG MET A 63 -3.999 9.236 -0.175 1.00 0.00 C ATOM 874 SD MET A 63 -3.528 10.953 -0.455 1.00 0.00 S ATOM 875 CE MET A 63 -1.948 10.742 -1.272 1.00 0.00 C ATOM 0 H MET A 63 -4.906 6.775 1.794 1.00 0.00 H new ATOM 0 HA MET A 63 -2.702 6.873 -0.157 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.795 8.811 1.912 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.275 9.080 1.082 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.808 8.659 -1.080 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.071 9.184 0.015 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.257 11.514 -0.934 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.541 9.760 -1.030 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.082 10.823 -2.351 1.00 0.00 H new ATOM 885 N LEU A 64 -0.770 6.544 1.418 1.00 0.00 N ATOM 886 CA LEU A 64 0.317 6.093 2.279 1.00 0.00 C ATOM 887 C LEU A 64 1.358 7.192 2.464 1.00 0.00 C ATOM 888 O LEU A 64 1.554 8.030 1.585 1.00 0.00 O ATOM 889 CB LEU A 64 0.977 4.845 1.689 1.00 0.00 C ATOM 890 CG LEU A 64 0.029 3.797 1.105 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.805 2.761 0.307 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.775 3.129 2.211 1.00 0.00 C ATOM 0 H LEU A 64 -0.481 6.802 0.475 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.104 5.848 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.666 5.159 0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.574 4.372 2.468 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.666 4.299 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.114 2.023 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.335 3.252 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.524 2.264 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.444 2.386 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.096 2.641 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.361 3.881 2.739 1.00 0.00 H new ATOM 904 N GLY A 65 2.025 7.182 3.615 1.00 0.00 N ATOM 905 CA GLY A 65 3.039 8.181 3.894 1.00 0.00 C ATOM 906 C GLY A 65 3.026 8.632 5.341 1.00 0.00 C ATOM 907 O GLY A 65 2.174 8.227 6.132 1.00 0.00 O ATOM 0 H GLY A 65 1.880 6.499 4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.021 7.775 3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.883 9.044 3.246 1.00 0.00 H new ATOM 911 N PRO A 66 3.990 9.490 5.706 1.00 0.00 N ATOM 912 CA PRO A 66 5.010 9.978 4.774 1.00 0.00 C ATOM 913 C PRO A 66 5.997 8.888 4.370 1.00 0.00 C ATOM 914 O PRO A 66 6.503 8.151 5.217 1.00 0.00 O ATOM 915 CB PRO A 66 5.721 11.076 5.569 1.00 0.00 C ATOM 916 CG PRO A 66 5.510 10.707 6.997 1.00 0.00 C ATOM 917 CD PRO A 66 4.160 10.048 7.059 1.00 0.00 C ATOM 0 HA PRO A 66 4.573 10.325 3.838 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.782 11.118 5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.303 12.058 5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.291 10.031 7.345 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.544 11.589 7.637 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.127 9.270 7.822 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.374 10.764 7.300 1.00 0.00 H new ATOM 925 N LEU A 67 6.266 8.792 3.073 1.00 0.00 N ATOM 926 CA LEU A 67 7.194 7.791 2.557 1.00 0.00 C ATOM 927 C LEU A 67 8.501 8.439 2.112 1.00 0.00 C ATOM 928 O LEU A 67 8.684 9.649 2.246 1.00 0.00 O ATOM 929 CB LEU A 67 6.561 7.036 1.387 1.00 0.00 C ATOM 930 CG LEU A 67 5.114 6.585 1.583 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.607 5.861 0.345 1.00 0.00 C ATOM 932 CD2 LEU A 67 4.995 5.692 2.810 1.00 0.00 C ATOM 0 H LEU A 67 5.855 9.394 2.360 1.00 0.00 H new ATOM 0 HA LEU A 67 7.414 7.087 3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.605 7.673 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.169 6.156 1.177 1.00 0.00 H new ATOM 0 HG LEU A 67 4.497 7.470 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.575 5.548 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.655 6.531 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.227 4.985 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.958 5.380 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.625 4.812 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.316 6.243 3.694 1.00 0.00 H new ATOM 944 N SER A 68 9.408 7.625 1.579 1.00 0.00 N ATOM 945 CA SER A 68 10.699 8.119 1.115 1.00 0.00 C ATOM 946 C SER A 68 10.656 8.433 -0.377 1.00 0.00 C ATOM 947 O SER A 68 9.661 8.165 -1.051 1.00 0.00 O ATOM 948 CB SER A 68 11.794 7.089 1.399 1.00 0.00 C ATOM 949 OG SER A 68 12.191 7.129 2.759 1.00 0.00 O ATOM 0 H SER A 68 9.272 6.621 1.458 1.00 0.00 H new ATOM 0 HA SER A 68 10.925 9.038 1.656 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.432 6.091 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.655 7.283 0.760 1.00 0.00 H new ATOM 0 HG SER A 68 11.636 6.512 3.280 1.00 0.00 H new ATOM 955 N SER A 69 11.743 9.004 -0.887 1.00 0.00 N ATOM 956 CA SER A 69 11.830 9.359 -2.299 1.00 0.00 C ATOM 957 C SER A 69 12.812 8.448 -3.029 1.00 0.00 C ATOM 958 O SER A 69 13.856 8.082 -2.489 1.00 0.00 O ATOM 959 CB SER A 69 12.259 10.819 -2.453 1.00 0.00 C ATOM 960 OG SER A 69 11.780 11.608 -1.378 1.00 0.00 O ATOM 0 H SER A 69 12.576 9.231 -0.343 1.00 0.00 H new ATOM 0 HA SER A 69 10.843 9.229 -2.743 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.347 10.879 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.881 11.215 -3.395 1.00 0.00 H new ATOM 0 HG SER A 69 10.859 11.347 -1.166 1.00 0.00 H new ATOM 966 N SER A 70 12.469 8.085 -4.261 1.00 0.00 N ATOM 967 CA SER A 70 13.317 7.214 -5.065 1.00 0.00 C ATOM 968 C SER A 70 13.590 5.900 -4.339 1.00 0.00 C ATOM 969 O SER A 70 14.672 5.324 -4.457 1.00 0.00 O ATOM 970 CB SER A 70 14.638 7.913 -5.392 1.00 0.00 C ATOM 971 OG SER A 70 15.386 7.173 -6.341 1.00 0.00 O ATOM 0 H SER A 70 11.610 8.381 -4.724 1.00 0.00 H new ATOM 0 HA SER A 70 12.791 6.993 -5.994 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.438 8.911 -5.781 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.223 8.037 -4.480 1.00 0.00 H new ATOM 0 HG SER A 70 15.544 6.268 -5.999 1.00 0.00 H new ATOM 977 N THR A 71 12.600 5.431 -3.586 1.00 0.00 N ATOM 978 CA THR A 71 12.732 4.186 -2.839 1.00 0.00 C ATOM 979 C THR A 71 11.529 3.278 -3.068 1.00 0.00 C ATOM 980 O THR A 71 10.386 3.735 -3.082 1.00 0.00 O ATOM 981 CB THR A 71 12.881 4.450 -1.329 1.00 0.00 C ATOM 982 OG1 THR A 71 14.060 5.225 -1.082 1.00 0.00 O ATOM 983 CG2 THR A 71 12.956 3.142 -0.556 1.00 0.00 C ATOM 0 H THR A 71 11.698 5.895 -3.477 1.00 0.00 H new ATOM 0 HA THR A 71 13.632 3.692 -3.204 1.00 0.00 H new ATOM 0 HB THR A 71 12.005 5.004 -0.990 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.971 6.102 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.061 3.354 0.508 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.045 2.568 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.816 2.566 -0.898 1.00 0.00 H new ATOM 991 N THR A 72 11.794 1.987 -3.248 1.00 0.00 N ATOM 992 CA THR A 72 10.733 1.014 -3.477 1.00 0.00 C ATOM 993 C THR A 72 9.975 0.714 -2.189 1.00 0.00 C ATOM 994 O THR A 72 10.578 0.540 -1.129 1.00 0.00 O ATOM 995 CB THR A 72 11.293 -0.302 -4.049 1.00 0.00 C ATOM 996 OG1 THR A 72 11.617 -0.136 -5.434 1.00 0.00 O ATOM 997 CG2 THR A 72 10.286 -1.432 -3.891 1.00 0.00 C ATOM 0 H THR A 72 12.734 1.592 -3.240 1.00 0.00 H new ATOM 0 HA THR A 72 10.050 1.455 -4.202 1.00 0.00 H new ATOM 0 HB THR A 72 12.195 -0.559 -3.494 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.974 -0.977 -5.790 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.703 -2.351 -4.302 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.063 -1.576 -2.834 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.369 -1.180 -4.424 1.00 0.00 H new ATOM 1005 N TYR A 73 8.652 0.654 -2.287 1.00 0.00 N ATOM 1006 CA TYR A 73 7.812 0.376 -1.128 1.00 0.00 C ATOM 1007 C TYR A 73 6.846 -0.769 -1.418 1.00 0.00 C ATOM 1008 O TYR A 73 5.961 -0.652 -2.267 1.00 0.00 O ATOM 1009 CB TYR A 73 7.030 1.628 -0.727 1.00 0.00 C ATOM 1010 CG TYR A 73 7.800 2.554 0.188 1.00 0.00 C ATOM 1011 CD1 TYR A 73 8.635 3.537 -0.330 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.692 2.447 1.568 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.341 4.385 0.501 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.392 3.292 2.407 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.215 4.259 1.869 1.00 0.00 C ATOM 1016 OH TYR A 73 9.916 5.102 2.702 1.00 0.00 O ATOM 0 H TYR A 73 8.138 0.794 -3.157 1.00 0.00 H new ATOM 0 HA TYR A 73 8.460 0.081 -0.303 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.746 2.173 -1.627 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.107 1.327 -0.232 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.734 3.640 -1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.050 1.690 1.993 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.988 5.142 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.295 3.196 3.478 1.00 0.00 H new ATOM 0 HH TYR A 73 9.715 4.881 3.635 1.00 0.00 H new ATOM 1026 N THR A 74 7.021 -1.877 -0.706 1.00 0.00 N ATOM 1027 CA THR A 74 6.167 -3.044 -0.885 1.00 0.00 C ATOM 1028 C THR A 74 4.849 -2.881 -0.137 1.00 0.00 C ATOM 1029 O THR A 74 4.741 -3.237 1.037 1.00 0.00 O ATOM 1030 CB THR A 74 6.863 -4.330 -0.401 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.147 -4.455 -1.021 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.019 -5.555 -0.718 1.00 0.00 C ATOM 0 H THR A 74 7.747 -1.991 0.001 1.00 0.00 H new ATOM 0 HA THR A 74 5.968 -3.128 -1.953 1.00 0.00 H new ATOM 0 HB THR A 74 6.987 -4.265 0.680 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.584 -5.274 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.531 -6.451 -0.367 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.053 -5.470 -0.220 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.867 -5.623 -1.795 1.00 0.00 H new ATOM 1040 N VAL A 75 3.846 -2.342 -0.824 1.00 0.00 N ATOM 1041 CA VAL A 75 2.534 -2.133 -0.225 1.00 0.00 C ATOM 1042 C VAL A 75 1.687 -3.399 -0.301 1.00 0.00 C ATOM 1043 O VAL A 75 1.611 -4.045 -1.346 1.00 0.00 O ATOM 1044 CB VAL A 75 1.779 -0.982 -0.914 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.401 -0.799 -0.294 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.584 0.307 -0.833 1.00 0.00 C ATOM 0 H VAL A 75 3.918 -2.042 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 75 2.701 -1.873 0.820 1.00 0.00 H new ATOM 0 HB VAL A 75 1.647 -1.236 -1.966 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.117 0.019 -0.794 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.175 -1.717 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.507 -0.567 0.766 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.035 1.110 -1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.749 0.568 0.212 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.545 0.168 -1.328 1.00 0.00 H new ATOM 1056 N ARG A 76 1.053 -3.748 0.813 1.00 0.00 N ATOM 1057 CA ARG A 76 0.212 -4.937 0.873 1.00 0.00 C ATOM 1058 C ARG A 76 -1.143 -4.615 1.497 1.00 0.00 C ATOM 1059 O ARG A 76 -1.235 -4.323 2.690 1.00 0.00 O ATOM 1060 CB ARG A 76 0.906 -6.039 1.676 1.00 0.00 C ATOM 1061 CG ARG A 76 1.765 -6.962 0.827 1.00 0.00 C ATOM 1062 CD ARG A 76 2.854 -7.627 1.654 1.00 0.00 C ATOM 1063 NE ARG A 76 2.304 -8.542 2.650 1.00 0.00 N ATOM 1064 CZ ARG A 76 3.003 -9.519 3.217 1.00 0.00 C ATOM 1065 NH1 ARG A 76 4.273 -9.706 2.887 1.00 0.00 N ATOM 1066 NH2 ARG A 76 2.432 -10.311 4.115 1.00 0.00 N ATOM 0 H ARG A 76 1.106 -3.224 1.687 1.00 0.00 H new ATOM 0 HA ARG A 76 0.049 -5.287 -0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.529 -5.580 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.151 -6.632 2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.137 -7.726 0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.219 -6.394 0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.528 -8.173 0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.448 -6.862 2.154 1.00 0.00 H new ATOM 0 HE ARG A 76 1.329 -8.425 2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.715 -9.099 2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.808 -10.457 3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.455 -10.170 4.371 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.970 -11.061 4.549 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.192 -4.669 0.683 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.542 -4.383 1.155 1.00 0.00 C ATOM 1082 C VAL A 77 -4.247 -5.657 1.607 1.00 0.00 C ATOM 1083 O VAL A 77 -4.669 -6.472 0.786 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.386 -3.702 0.062 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.748 -3.303 0.610 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.653 -2.494 -0.502 1.00 0.00 C ATOM 0 H VAL A 77 -2.133 -4.908 -0.307 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.444 -3.705 2.003 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.542 -4.414 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.330 -2.823 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.274 -4.191 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.617 -2.608 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.264 -2.025 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.464 -1.777 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.705 -2.813 -0.935 1.00 0.00 H new ATOM 1096 N THR A 78 -4.373 -5.824 2.920 1.00 0.00 N ATOM 1097 CA THR A 78 -5.026 -6.999 3.482 1.00 0.00 C ATOM 1098 C THR A 78 -6.485 -6.709 3.816 1.00 0.00 C ATOM 1099 O THR A 78 -6.784 -6.027 4.798 1.00 0.00 O ATOM 1100 CB THR A 78 -4.307 -7.487 4.754 1.00 0.00 C ATOM 1101 OG1 THR A 78 -2.898 -7.262 4.637 1.00 0.00 O ATOM 1102 CG2 THR A 78 -4.573 -8.965 4.992 1.00 0.00 C ATOM 0 H THR A 78 -4.031 -5.159 3.614 1.00 0.00 H new ATOM 0 HA THR A 78 -4.978 -7.781 2.724 1.00 0.00 H new ATOM 0 HB THR A 78 -4.694 -6.924 5.603 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.413 -8.040 4.982 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.055 -9.287 5.895 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.644 -9.127 5.110 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.210 -9.542 4.141 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.390 -7.231 2.996 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.819 -7.028 3.204 1.00 0.00 C ATOM 1112 C CYS A 79 -9.351 -7.971 4.279 1.00 0.00 C ATOM 1113 O CYS A 79 -9.575 -9.155 4.026 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.582 -7.243 1.897 1.00 0.00 C ATOM 1115 SG CYS A 79 -9.063 -6.153 0.551 1.00 0.00 S ATOM 0 H CYS A 79 -7.159 -7.798 2.180 1.00 0.00 H new ATOM 0 HA CYS A 79 -8.970 -6.002 3.539 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.455 -8.278 1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.646 -7.094 2.081 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.764 -6.412 -0.512 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.550 -7.439 5.480 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.054 -8.233 6.595 1.00 0.00 C ATOM 1123 C LEU A 80 -11.532 -8.559 6.407 1.00 0.00 C ATOM 1124 O LEU A 80 -12.390 -7.681 6.511 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.849 -7.485 7.913 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.427 -7.496 8.476 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -7.900 -8.919 8.569 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.507 -6.639 7.619 1.00 0.00 C ATOM 0 H LEU A 80 -9.370 -6.461 5.707 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.495 -9.168 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.154 -6.448 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.517 -7.914 8.659 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.452 -7.074 9.481 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.887 -8.906 8.972 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.544 -9.503 9.226 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -7.890 -9.369 7.576 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.500 -6.659 8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.488 -7.031 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.874 -5.613 7.605 1.00 0.00 H new ATOM 1140 N TYR A 81 -11.823 -9.825 6.131 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.198 -10.267 5.929 1.00 0.00 C ATOM 1142 C TYR A 81 -13.887 -10.533 7.264 1.00 0.00 C ATOM 1143 O TYR A 81 -13.265 -10.955 8.239 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.228 -11.530 5.066 1.00 0.00 C ATOM 1145 CG TYR A 81 -12.500 -11.381 3.749 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -12.742 -10.295 2.918 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -11.569 -12.326 3.337 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.080 -10.155 1.713 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -10.901 -12.194 2.135 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.160 -11.107 1.327 1.00 0.00 C ATOM 1151 OH TYR A 81 -10.497 -10.971 0.128 1.00 0.00 O ATOM 0 H TYR A 81 -11.125 -10.564 6.042 1.00 0.00 H new ATOM 0 HA TYR A 81 -13.737 -9.471 5.415 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -12.784 -12.353 5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.265 -11.801 4.870 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.460 -9.547 3.219 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.364 -13.179 3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.282 -9.305 1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.180 -12.938 1.830 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.895 -11.733 -0.001 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.203 -10.281 7.309 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.007 -10.487 8.518 1.00 0.00 C ATOM 1163 C PRO A 82 -16.179 -11.964 8.855 1.00 0.00 C ATOM 1164 O PRO A 82 -16.516 -12.318 9.984 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.357 -9.861 8.157 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.423 -9.934 6.670 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.009 -9.776 6.184 1.00 0.00 C ATOM 0 HA PRO A 82 -15.539 -10.047 9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.182 -10.406 8.617 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.421 -8.830 8.506 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -17.843 -10.885 6.344 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.063 -9.149 6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -15.831 -10.348 5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.776 -8.736 5.958 1.00 0.00 H new ATOM 1175 N GLY A 83 -15.944 -12.823 7.868 1.00 0.00 N ATOM 1176 CA GLY A 83 -16.078 -14.253 8.081 1.00 0.00 C ATOM 1177 C GLY A 83 -15.595 -15.063 6.895 1.00 0.00 C ATOM 1178 O GLY A 83 -16.363 -15.352 5.978 1.00 0.00 O ATOM 0 H GLY A 83 -15.663 -12.555 6.925 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -15.512 -14.540 8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.123 -14.492 8.279 1.00 0.00 H new ATOM 1182 N GLY A 84 -14.318 -15.430 6.910 1.00 0.00 N ATOM 1183 CA GLY A 84 -13.755 -16.208 5.821 1.00 0.00 C ATOM 1184 C GLY A 84 -12.306 -15.859 5.548 1.00 0.00 C ATOM 1185 O GLY A 84 -11.908 -15.683 4.398 1.00 0.00 O ATOM 0 H GLY A 84 -13.662 -15.203 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.831 -17.269 6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.342 -16.041 4.918 1.00 0.00 H new ATOM 1189 N GLY A 85 -11.513 -15.758 6.611 1.00 0.00 N ATOM 1190 CA GLY A 85 -10.108 -15.426 6.459 1.00 0.00 C ATOM 1191 C GLY A 85 -9.898 -14.028 5.914 1.00 0.00 C ATOM 1192 O GLY A 85 -10.734 -13.146 6.108 1.00 0.00 O ATOM 0 H GLY A 85 -11.818 -15.900 7.574 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.611 -15.515 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -9.638 -16.147 5.791 1.00 0.00 H new ATOM 1196 N SER A 86 -8.776 -13.823 5.230 1.00 0.00 N ATOM 1197 CA SER A 86 -8.456 -12.520 4.660 1.00 0.00 C ATOM 1198 C SER A 86 -7.441 -12.657 3.528 1.00 0.00 C ATOM 1199 O SER A 86 -6.654 -13.603 3.497 1.00 0.00 O ATOM 1200 CB SER A 86 -7.907 -11.587 5.741 1.00 0.00 C ATOM 1201 OG SER A 86 -8.864 -11.375 6.765 1.00 0.00 O ATOM 0 H SER A 86 -8.074 -14.543 5.058 1.00 0.00 H new ATOM 0 HA SER A 86 -9.373 -12.094 4.254 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.000 -12.015 6.169 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.629 -10.632 5.295 1.00 0.00 H new ATOM 0 HG SER A 86 -9.744 -11.680 6.459 1.00 0.00 H new ATOM 1207 N SER A 87 -7.467 -11.706 2.600 1.00 0.00 N ATOM 1208 CA SER A 87 -6.554 -11.721 1.464 1.00 0.00 C ATOM 1209 C SER A 87 -5.422 -10.717 1.664 1.00 0.00 C ATOM 1210 O SER A 87 -5.381 -9.999 2.663 1.00 0.00 O ATOM 1211 CB SER A 87 -7.308 -11.405 0.171 1.00 0.00 C ATOM 1212 OG SER A 87 -8.003 -12.545 -0.305 1.00 0.00 O ATOM 0 H SER A 87 -8.111 -10.915 2.613 1.00 0.00 H new ATOM 0 HA SER A 87 -6.123 -12.719 1.390 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.013 -10.592 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.606 -11.060 -0.588 1.00 0.00 H new ATOM 0 HG SER A 87 -8.412 -12.340 -1.172 1.00 0.00 H new ATOM 1218 N THR A 88 -4.503 -10.672 0.704 1.00 0.00 N ATOM 1219 CA THR A 88 -3.370 -9.759 0.773 1.00 0.00 C ATOM 1220 C THR A 88 -2.892 -9.369 -0.621 1.00 0.00 C ATOM 1221 O THR A 88 -2.253 -10.162 -1.314 1.00 0.00 O ATOM 1222 CB THR A 88 -2.194 -10.379 1.552 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.659 -10.914 2.796 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.111 -9.344 1.811 1.00 0.00 C ATOM 0 H THR A 88 -4.522 -11.258 -0.131 1.00 0.00 H new ATOM 0 HA THR A 88 -3.714 -8.868 1.299 1.00 0.00 H new ATOM 0 HB THR A 88 -1.769 -11.181 0.949 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.906 -11.308 3.285 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.291 -9.805 2.362 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.739 -8.961 0.861 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.525 -8.523 2.396 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.204 -8.143 -1.027 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.805 -7.648 -2.340 1.00 0.00 C ATOM 1234 C LEU A 89 -1.474 -6.907 -2.261 1.00 0.00 C ATOM 1235 O LEU A 89 -1.408 -5.775 -1.780 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.884 -6.723 -2.907 1.00 0.00 C ATOM 1237 CG LEU A 89 -4.987 -7.399 -3.722 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.193 -6.483 -3.852 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.467 -7.796 -5.096 1.00 0.00 C ATOM 0 H LEU A 89 -3.732 -7.474 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.684 -8.505 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.348 -6.188 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.400 -5.977 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.298 -8.302 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.967 -6.981 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.580 -6.248 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.898 -5.562 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.265 -8.276 -5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.128 -6.907 -5.628 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.634 -8.490 -4.983 1.00 0.00 H new ATOM 1251 N THR A 90 -0.414 -7.552 -2.739 1.00 0.00 N ATOM 1252 CA THR A 90 0.915 -6.954 -2.724 1.00 0.00 C ATOM 1253 C THR A 90 1.092 -5.978 -3.882 1.00 0.00 C ATOM 1254 O THR A 90 0.513 -6.158 -4.952 1.00 0.00 O ATOM 1255 CB THR A 90 2.015 -8.029 -2.800 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.329 -8.313 -4.168 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.573 -9.306 -2.101 1.00 0.00 C ATOM 0 H THR A 90 -0.451 -8.489 -3.141 1.00 0.00 H new ATOM 0 HA THR A 90 1.009 -6.415 -1.781 1.00 0.00 H new ATOM 0 HB THR A 90 2.902 -7.646 -2.296 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.030 -8.996 -4.208 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.366 -10.051 -2.168 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.363 -9.093 -1.053 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.673 -9.691 -2.581 1.00 0.00 H new ATOM 1265 N GLY A 91 1.899 -4.945 -3.660 1.00 0.00 N ATOM 1266 CA GLY A 91 2.138 -3.956 -4.695 1.00 0.00 C ATOM 1267 C GLY A 91 3.376 -3.124 -4.426 1.00 0.00 C ATOM 1268 O GLY A 91 3.437 -2.390 -3.440 1.00 0.00 O ATOM 0 H GLY A 91 2.391 -4.775 -2.783 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.244 -4.459 -5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.272 -3.299 -4.772 1.00 0.00 H new ATOM 1272 N ARG A 92 4.367 -3.239 -5.304 1.00 0.00 N ATOM 1273 CA ARG A 92 5.611 -2.493 -5.155 1.00 0.00 C ATOM 1274 C ARG A 92 5.539 -1.162 -5.898 1.00 0.00 C ATOM 1275 O ARG A 92 5.193 -1.115 -7.078 1.00 0.00 O ATOM 1276 CB ARG A 92 6.790 -3.317 -5.676 1.00 0.00 C ATOM 1277 CG ARG A 92 7.214 -4.435 -4.738 1.00 0.00 C ATOM 1278 CD ARG A 92 8.696 -4.745 -4.874 1.00 0.00 C ATOM 1279 NE ARG A 92 9.082 -5.923 -4.102 1.00 0.00 N ATOM 1280 CZ ARG A 92 8.965 -7.167 -4.552 1.00 0.00 C ATOM 1281 NH1 ARG A 92 8.476 -7.394 -5.764 1.00 0.00 N ATOM 1282 NH2 ARG A 92 9.338 -8.187 -3.790 1.00 0.00 N ATOM 0 H ARG A 92 4.333 -3.842 -6.126 1.00 0.00 H new ATOM 0 HA ARG A 92 5.759 -2.290 -4.094 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.524 -3.746 -6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.639 -2.654 -5.845 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.994 -4.151 -3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.633 -5.332 -4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.938 -4.905 -5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.278 -3.886 -4.540 1.00 0.00 H new ATOM 0 HE ARG A 92 9.462 -5.783 -3.166 1.00 0.00 H new ATOM 0 HH11 ARG A 92 8.189 -6.612 -6.353 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.387 -8.350 -6.107 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.715 -8.016 -2.858 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.248 -9.142 -4.136 1.00 0.00 H new ATOM 1296 N VAL A 93 5.868 -0.081 -5.197 1.00 0.00 N ATOM 1297 CA VAL A 93 5.842 1.251 -5.790 1.00 0.00 C ATOM 1298 C VAL A 93 7.126 2.015 -5.483 1.00 0.00 C ATOM 1299 O VAL A 93 7.556 2.092 -4.332 1.00 0.00 O ATOM 1300 CB VAL A 93 4.639 2.067 -5.282 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.552 2.003 -3.765 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.734 3.509 -5.759 1.00 0.00 C ATOM 0 H VAL A 93 6.155 -0.102 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 93 5.752 1.116 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 93 3.728 1.632 -5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.696 2.586 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.433 0.966 -3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.464 2.412 -3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.876 4.071 -5.391 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.652 3.958 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.742 3.532 -6.849 1.00 0.00 H new ATOM 1312 N THR A 94 7.735 2.579 -6.521 1.00 0.00 N ATOM 1313 CA THR A 94 8.970 3.336 -6.364 1.00 0.00 C ATOM 1314 C THR A 94 8.686 4.826 -6.217 1.00 0.00 C ATOM 1315 O THR A 94 8.468 5.528 -7.206 1.00 0.00 O ATOM 1316 CB THR A 94 9.917 3.120 -7.559 1.00 0.00 C ATOM 1317 OG1 THR A 94 10.179 1.723 -7.731 1.00 0.00 O ATOM 1318 CG2 THR A 94 11.228 3.865 -7.352 1.00 0.00 C ATOM 0 H THR A 94 7.392 2.526 -7.480 1.00 0.00 H new ATOM 0 HA THR A 94 9.452 2.970 -5.458 1.00 0.00 H new ATOM 0 HB THR A 94 9.432 3.511 -8.453 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.598 1.367 -6.920 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.881 3.698 -8.209 1.00 0.00 H new ATOM 0 HG22 THR A 94 11.028 4.932 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.715 3.500 -6.448 1.00 0.00 H new ATOM 1326 N THR A 95 8.690 5.306 -4.977 1.00 0.00 N ATOM 1327 CA THR A 95 8.433 6.714 -4.701 1.00 0.00 C ATOM 1328 C THR A 95 9.229 7.612 -5.640 1.00 0.00 C ATOM 1329 O THR A 95 10.343 7.276 -6.044 1.00 0.00 O ATOM 1330 CB THR A 95 8.782 7.074 -3.245 1.00 0.00 C ATOM 1331 OG1 THR A 95 10.062 6.531 -2.900 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.726 6.542 -2.288 1.00 0.00 C ATOM 0 H THR A 95 8.869 4.740 -4.148 1.00 0.00 H new ATOM 0 HA THR A 95 7.368 6.878 -4.862 1.00 0.00 H new ATOM 0 HB THR A 95 8.813 8.160 -3.160 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.226 6.663 -1.943 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.994 6.809 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.758 6.979 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.668 5.457 -2.377 1.00 0.00 H new ATOM 1340 N LYS A 96 8.652 8.759 -5.985 1.00 0.00 N ATOM 1341 CA LYS A 96 9.309 9.709 -6.875 1.00 0.00 C ATOM 1342 C LYS A 96 10.557 10.293 -6.222 1.00 0.00 C ATOM 1343 O LYS A 96 10.797 10.097 -5.031 1.00 0.00 O ATOM 1344 CB LYS A 96 8.344 10.835 -7.254 1.00 0.00 C ATOM 1345 CG LYS A 96 7.017 10.340 -7.804 1.00 0.00 C ATOM 1346 CD LYS A 96 6.423 11.325 -8.796 1.00 0.00 C ATOM 1347 CE LYS A 96 5.550 10.622 -9.824 1.00 0.00 C ATOM 1348 NZ LYS A 96 5.207 11.515 -10.965 1.00 0.00 N ATOM 0 H LYS A 96 7.730 9.053 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 96 9.609 9.176 -7.777 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.156 11.452 -6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.820 11.475 -7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.161 9.375 -8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.318 10.183 -6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.831 12.069 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.225 11.861 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.068 9.739 -10.197 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.634 10.276 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.611 10.998 -11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.690 12.346 -10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 6.080 11.826 -11.437 1.00 0.00 H new ATOM 1362 N LYS A 97 11.350 11.013 -7.010 1.00 0.00 N ATOM 1363 CA LYS A 97 12.572 11.629 -6.508 1.00 0.00 C ATOM 1364 C LYS A 97 12.265 12.930 -5.775 1.00 0.00 C ATOM 1365 O LYS A 97 11.417 13.711 -6.206 1.00 0.00 O ATOM 1366 CB LYS A 97 13.542 11.898 -7.661 1.00 0.00 C ATOM 1367 CG LYS A 97 14.487 10.742 -7.943 1.00 0.00 C ATOM 1368 CD LYS A 97 14.911 10.712 -9.402 1.00 0.00 C ATOM 1369 CE LYS A 97 16.054 11.679 -9.671 1.00 0.00 C ATOM 1370 NZ LYS A 97 16.597 11.527 -11.049 1.00 0.00 N ATOM 0 H LYS A 97 11.167 11.184 -7.999 1.00 0.00 H new ATOM 0 HA LYS A 97 13.035 10.937 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.970 12.117 -8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.128 12.788 -7.432 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.369 10.829 -7.308 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.000 9.802 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.217 9.701 -9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 97 14.061 10.967 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.705 12.702 -9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.850 11.510 -8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.374 12.203 -11.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.953 10.558 -11.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.844 11.713 -11.741 1.00 0.00 H new ATOM 1384 N ALA A 98 12.960 13.157 -4.665 1.00 0.00 N ATOM 1385 CA ALA A 98 12.764 14.366 -3.874 1.00 0.00 C ATOM 1386 C ALA A 98 13.316 15.590 -4.596 1.00 0.00 C ATOM 1387 O ALA A 98 14.290 15.512 -5.345 1.00 0.00 O ATOM 1388 CB ALA A 98 13.419 14.215 -2.509 1.00 0.00 C ATOM 0 H ALA A 98 13.664 12.519 -4.293 1.00 0.00 H new ATOM 0 HA ALA A 98 11.692 14.511 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.265 15.125 -1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.974 13.370 -1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.488 14.042 -2.635 1.00 0.00 H new ATOM 1394 N PRO A 99 12.680 16.749 -4.369 1.00 0.00 N ATOM 1395 CA PRO A 99 13.091 18.012 -4.989 1.00 0.00 C ATOM 1396 C PRO A 99 14.420 18.521 -4.441 1.00 0.00 C ATOM 1397 O PRO A 99 14.531 18.847 -3.260 1.00 0.00 O ATOM 1398 CB PRO A 99 11.957 18.973 -4.620 1.00 0.00 C ATOM 1399 CG PRO A 99 11.373 18.408 -3.372 1.00 0.00 C ATOM 1400 CD PRO A 99 11.511 16.915 -3.488 1.00 0.00 C ATOM 0 HA PRO A 99 13.248 17.908 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.331 19.984 -4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.213 19.031 -5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.897 18.781 -2.492 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.327 18.696 -3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.671 16.449 -2.516 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.617 16.461 -3.916 1.00 0.00 H new ATOM 1408 N SER A 100 15.425 18.588 -5.309 1.00 0.00 N ATOM 1409 CA SER A 100 16.748 19.054 -4.911 1.00 0.00 C ATOM 1410 C SER A 100 16.661 20.415 -4.226 1.00 0.00 C ATOM 1411 O SER A 100 17.044 20.581 -3.068 1.00 0.00 O ATOM 1412 CB SER A 100 17.669 19.142 -6.130 1.00 0.00 C ATOM 1413 OG SER A 100 18.420 17.951 -6.288 1.00 0.00 O ATOM 0 H SER A 100 15.348 18.326 -6.292 1.00 0.00 H new ATOM 0 HA SER A 100 17.162 18.336 -4.203 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.075 19.323 -7.026 1.00 0.00 H new ATOM 0 HB3 SER A 100 18.345 19.990 -6.019 1.00 0.00 H new ATOM 0 HG SER A 100 18.999 18.031 -7.074 1.00 0.00 H new ATOM 1419 N PRO A 101 16.145 21.413 -4.958 1.00 0.00 N ATOM 1420 CA PRO A 101 15.994 22.777 -4.443 1.00 0.00 C ATOM 1421 C PRO A 101 14.916 22.875 -3.369 1.00 0.00 C ATOM 1422 O PRO A 101 13.726 22.751 -3.658 1.00 0.00 O ATOM 1423 CB PRO A 101 15.591 23.582 -5.681 1.00 0.00 C ATOM 1424 CG PRO A 101 14.952 22.587 -6.588 1.00 0.00 C ATOM 1425 CD PRO A 101 15.667 21.287 -6.346 1.00 0.00 C ATOM 0 HA PRO A 101 16.905 23.135 -3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 101 14.900 24.384 -5.424 1.00 0.00 H new ATOM 0 HB3 PRO A 101 16.458 24.047 -6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 101 13.887 22.492 -6.375 1.00 0.00 H new ATOM 0 HG3 PRO A 101 15.043 22.894 -7.630 1.00 0.00 H new ATOM 0 HD2 PRO A 101 15.000 20.433 -6.465 1.00 0.00 H new ATOM 0 HD3 PRO A 101 16.492 21.146 -7.044 1.00 0.00 H new ATOM 1433 N SER A 102 15.340 23.099 -2.130 1.00 0.00 N ATOM 1434 CA SER A 102 14.410 23.210 -1.012 1.00 0.00 C ATOM 1435 C SER A 102 13.500 24.423 -1.182 1.00 0.00 C ATOM 1436 O SER A 102 12.276 24.306 -1.133 1.00 0.00 O ATOM 1437 CB SER A 102 15.176 23.314 0.308 1.00 0.00 C ATOM 1438 OG SER A 102 16.049 24.431 0.305 1.00 0.00 O ATOM 0 H SER A 102 16.322 23.207 -1.874 1.00 0.00 H new ATOM 0 HA SER A 102 13.792 22.312 -0.995 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.471 23.402 1.135 1.00 0.00 H new ATOM 0 HB3 SER A 102 15.749 22.401 0.473 1.00 0.00 H new ATOM 0 HG SER A 102 16.525 24.476 1.160 1.00 0.00 H new ATOM 1444 N SER A 103 14.108 25.588 -1.380 1.00 0.00 N ATOM 1445 CA SER A 103 13.354 26.825 -1.553 1.00 0.00 C ATOM 1446 C SER A 103 12.194 26.622 -2.522 1.00 0.00 C ATOM 1447 O SER A 103 12.298 25.861 -3.483 1.00 0.00 O ATOM 1448 CB SER A 103 14.271 27.938 -2.063 1.00 0.00 C ATOM 1449 OG SER A 103 13.581 29.174 -2.133 1.00 0.00 O ATOM 0 H SER A 103 15.121 25.702 -1.425 1.00 0.00 H new ATOM 0 HA SER A 103 12.948 27.114 -0.583 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.132 28.035 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 103 14.654 27.675 -3.049 1.00 0.00 H new ATOM 0 HG SER A 103 14.189 29.870 -2.460 1.00 0.00 H new ATOM 1455 N GLY A 104 11.086 27.310 -2.261 1.00 0.00 N ATOM 1456 CA GLY A 104 9.920 27.192 -3.118 1.00 0.00 C ATOM 1457 C GLY A 104 9.658 28.454 -3.917 1.00 0.00 C ATOM 1458 O GLY A 104 8.818 29.278 -3.557 1.00 0.00 O ATOM 0 H GLY A 104 10.975 27.947 -1.472 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.059 26.355 -3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 104 9.046 26.964 -2.508 1.00 0.00 H new ATOM 1462 N PRO A 105 10.391 28.618 -5.028 1.00 0.00 N ATOM 1463 CA PRO A 105 10.252 29.786 -5.902 1.00 0.00 C ATOM 1464 C PRO A 105 8.928 29.791 -6.658 1.00 0.00 C ATOM 1465 O PRO A 105 8.854 29.350 -7.804 1.00 0.00 O ATOM 1466 CB PRO A 105 11.423 29.641 -6.878 1.00 0.00 C ATOM 1467 CG PRO A 105 11.718 28.181 -6.900 1.00 0.00 C ATOM 1468 CD PRO A 105 11.411 27.675 -5.517 1.00 0.00 C ATOM 0 HA PRO A 105 10.261 30.719 -5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 105 11.159 30.007 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 105 12.288 30.215 -6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 105 11.109 27.671 -7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 105 12.760 27.997 -7.160 1.00 0.00 H new ATOM 0 HD2 PRO A 105 11.036 26.652 -5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 105 12.297 27.677 -4.882 1.00 0.00 H new ATOM 1476 N SER A 106 7.883 30.293 -6.007 1.00 0.00 N ATOM 1477 CA SER A 106 6.559 30.352 -6.616 1.00 0.00 C ATOM 1478 C SER A 106 6.494 31.455 -7.668 1.00 0.00 C ATOM 1479 O SER A 106 7.340 32.350 -7.699 1.00 0.00 O ATOM 1480 CB SER A 106 5.492 30.589 -5.546 1.00 0.00 C ATOM 1481 OG SER A 106 5.663 31.853 -4.927 1.00 0.00 O ATOM 0 H SER A 106 7.928 30.665 -5.058 1.00 0.00 H new ATOM 0 HA SER A 106 6.368 29.396 -7.104 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.501 30.532 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.545 29.802 -4.794 1.00 0.00 H new ATOM 0 HG SER A 106 4.968 31.982 -4.248 1.00 0.00 H new ATOM 1487 N SER A 107 5.485 31.384 -8.530 1.00 0.00 N ATOM 1488 CA SER A 107 5.310 32.374 -9.586 1.00 0.00 C ATOM 1489 C SER A 107 5.723 33.761 -9.105 1.00 0.00 C ATOM 1490 O SER A 107 6.423 34.491 -9.806 1.00 0.00 O ATOM 1491 CB SER A 107 3.855 32.397 -10.057 1.00 0.00 C ATOM 1492 OG SER A 107 3.688 33.276 -11.156 1.00 0.00 O ATOM 0 H SER A 107 4.776 30.651 -8.518 1.00 0.00 H new ATOM 0 HA SER A 107 5.950 32.093 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.546 31.391 -10.342 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.209 32.709 -9.236 1.00 0.00 H new ATOM 0 HG SER A 107 2.750 33.271 -11.439 1.00 0.00 H new ATOM 1498 N GLY A 108 5.285 34.119 -7.902 1.00 0.00 N ATOM 1499 CA GLY A 108 5.618 35.417 -7.346 1.00 0.00 C ATOM 1500 C GLY A 108 5.502 35.448 -5.835 1.00 0.00 C ATOM 1501 O GLY A 108 6.007 36.364 -5.185 1.00 0.00 O ATOM 0 H GLY A 108 4.705 33.532 -7.302 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.635 35.682 -7.635 1.00 0.00 H new ATOM 0 HA3 GLY A 108 4.958 36.172 -7.773 1.00 0.00 H new TER 1505 GLY A 108