USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 724 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 97 HIS :FLIP no HD1:sc=-0.00166 F(o=-0.63,f=-0.0077) USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc=-0.00603 USER MOD Set 2.1: A 90 HIS : no HD1:sc= -4.38! X(o=-5.3!,f=-5.4) USER MOD Set 2.2: A 94 SER OG : rot 180:sc= -0.943 USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= -0.135 USER MOD Set 3.2: A 53 THR OG1 : rot 48:sc= 0.383 USER MOD Set 4.1: A 9 SER OG : rot 143:sc= 1.02 USER MOD Set 4.2: A 42 ASN :FLIP amide:sc= -5.13! C(o=-6.4!,f=-4.1!) USER MOD Set 5.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.099 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0932 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 31:sc= 0.56 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -147:sc= -0.68 (180deg=-1.87!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -160:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -153:sc= 0.419 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -130:sc= -0.351 (180deg=-1.53) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 CYS SG : rot 80:sc= -3.29! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 156:sc= -2.29! (180deg=-3.95!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -1.92! C(o=-1.9!,f=-2.3!) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 66 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.42) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN :FLIP amide:sc=-0.00535 F(o=-2,f=-0.0054) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -156:sc= 0.196 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 23:sc= -0.52 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.544 24.525 3.925 1.00 0.00 N ATOM 2 CA GLY A 1 -11.755 23.414 4.423 1.00 0.00 C ATOM 3 C GLY A 1 -10.828 23.821 5.551 1.00 0.00 C ATOM 4 O GLY A 1 -10.825 24.977 5.975 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.550 24.261 3.919 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.406 25.352 4.540 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.242 24.759 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.422 22.626 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.167 22.995 3.606 1.00 0.00 H new ATOM 8 N SER A 2 -10.039 22.869 6.038 1.00 0.00 N ATOM 9 CA SER A 2 -9.106 23.134 7.128 1.00 0.00 C ATOM 10 C SER A 2 -7.914 23.950 6.637 1.00 0.00 C ATOM 11 O SER A 2 -7.809 24.264 5.451 1.00 0.00 O ATOM 12 CB SER A 2 -8.620 21.819 7.741 1.00 0.00 C ATOM 13 OG SER A 2 -9.615 21.246 8.572 1.00 0.00 O ATOM 0 H SER A 2 -10.027 21.908 5.696 1.00 0.00 H new ATOM 0 HA SER A 2 -9.630 23.711 7.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.357 21.119 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.715 21.997 8.322 1.00 0.00 H new ATOM 0 HG SER A 2 -9.281 20.406 8.950 1.00 0.00 H new ATOM 19 N SER A 3 -7.018 24.291 7.558 1.00 0.00 N ATOM 20 CA SER A 3 -5.835 25.074 7.221 1.00 0.00 C ATOM 21 C SER A 3 -4.589 24.194 7.201 1.00 0.00 C ATOM 22 O SER A 3 -3.891 24.109 6.192 1.00 0.00 O ATOM 23 CB SER A 3 -5.652 26.216 8.221 1.00 0.00 C ATOM 24 OG SER A 3 -5.639 25.731 9.553 1.00 0.00 O ATOM 0 H SER A 3 -7.089 24.037 8.543 1.00 0.00 H new ATOM 0 HA SER A 3 -5.978 25.493 6.225 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.719 26.740 8.012 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.458 26.940 8.102 1.00 0.00 H new ATOM 0 HG SER A 3 -5.519 26.480 10.173 1.00 0.00 H new ATOM 30 N GLY A 4 -4.316 23.541 8.327 1.00 0.00 N ATOM 31 CA GLY A 4 -3.154 22.677 8.420 1.00 0.00 C ATOM 32 C GLY A 4 -3.406 21.302 7.832 1.00 0.00 C ATOM 33 O GLY A 4 -4.310 20.590 8.268 1.00 0.00 O ATOM 0 H GLY A 4 -4.879 23.595 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.316 23.143 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.864 22.574 9.466 1.00 0.00 H new ATOM 37 N SER A 5 -2.605 20.929 6.839 1.00 0.00 N ATOM 38 CA SER A 5 -2.749 19.633 6.187 1.00 0.00 C ATOM 39 C SER A 5 -1.724 18.638 6.723 1.00 0.00 C ATOM 40 O SER A 5 -0.631 19.020 7.141 1.00 0.00 O ATOM 41 CB SER A 5 -2.590 19.779 4.672 1.00 0.00 C ATOM 42 OG SER A 5 -3.515 20.718 4.151 1.00 0.00 O ATOM 0 H SER A 5 -1.850 21.506 6.469 1.00 0.00 H new ATOM 0 HA SER A 5 -3.747 19.254 6.406 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.574 20.097 4.439 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.740 18.812 4.192 1.00 0.00 H new ATOM 0 HG SER A 5 -3.392 20.795 3.182 1.00 0.00 H new ATOM 48 N SER A 6 -2.086 17.359 6.708 1.00 0.00 N ATOM 49 CA SER A 6 -1.200 16.308 7.196 1.00 0.00 C ATOM 50 C SER A 6 -0.548 15.565 6.034 1.00 0.00 C ATOM 51 O SER A 6 -1.229 14.948 5.216 1.00 0.00 O ATOM 52 CB SER A 6 -1.976 15.325 8.074 1.00 0.00 C ATOM 53 OG SER A 6 -2.931 14.606 7.314 1.00 0.00 O ATOM 0 H SER A 6 -2.986 17.026 6.363 1.00 0.00 H new ATOM 0 HA SER A 6 -0.416 16.775 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.283 14.628 8.545 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.478 15.867 8.876 1.00 0.00 H new ATOM 0 HG SER A 6 -2.604 14.496 6.397 1.00 0.00 H new ATOM 59 N GLY A 7 0.779 15.628 5.969 1.00 0.00 N ATOM 60 CA GLY A 7 1.502 14.957 4.905 1.00 0.00 C ATOM 61 C GLY A 7 2.361 13.818 5.417 1.00 0.00 C ATOM 62 O GLY A 7 3.564 13.981 5.619 1.00 0.00 O ATOM 0 H GLY A 7 1.366 16.132 6.634 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.791 14.572 4.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.133 15.679 4.387 1.00 0.00 H new ATOM 66 N SER A 8 1.743 12.660 5.628 1.00 0.00 N ATOM 67 CA SER A 8 2.458 11.491 6.124 1.00 0.00 C ATOM 68 C SER A 8 1.704 10.208 5.784 1.00 0.00 C ATOM 69 O SER A 8 0.493 10.226 5.566 1.00 0.00 O ATOM 70 CB SER A 8 2.656 11.592 7.638 1.00 0.00 C ATOM 71 OG SER A 8 3.781 10.840 8.057 1.00 0.00 O ATOM 0 H SER A 8 0.748 12.507 5.463 1.00 0.00 H new ATOM 0 HA SER A 8 3.433 11.459 5.638 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.787 12.636 7.922 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.763 11.232 8.149 1.00 0.00 H new ATOM 0 HG SER A 8 3.887 10.923 9.028 1.00 0.00 H new ATOM 77 N SER A 9 2.431 9.097 5.738 1.00 0.00 N ATOM 78 CA SER A 9 1.834 7.805 5.420 1.00 0.00 C ATOM 79 C SER A 9 2.075 6.803 6.545 1.00 0.00 C ATOM 80 O SER A 9 3.204 6.367 6.771 1.00 0.00 O ATOM 81 CB SER A 9 2.406 7.264 4.109 1.00 0.00 C ATOM 82 OG SER A 9 3.809 7.091 4.197 1.00 0.00 O ATOM 0 H SER A 9 3.435 9.065 5.917 1.00 0.00 H new ATOM 0 HA SER A 9 0.759 7.947 5.308 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.934 6.312 3.868 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.172 7.951 3.296 1.00 0.00 H new ATOM 0 HG SER A 9 4.071 6.285 3.705 1.00 0.00 H new ATOM 88 N ASP A 10 1.007 6.443 7.248 1.00 0.00 N ATOM 89 CA ASP A 10 1.100 5.491 8.349 1.00 0.00 C ATOM 90 C ASP A 10 0.408 4.179 7.994 1.00 0.00 C ATOM 91 O ASP A 10 -0.802 4.146 7.769 1.00 0.00 O ATOM 92 CB ASP A 10 0.482 6.083 9.616 1.00 0.00 C ATOM 93 CG ASP A 10 1.024 5.443 10.879 1.00 0.00 C ATOM 94 OD1 ASP A 10 1.296 4.225 10.857 1.00 0.00 O ATOM 95 OD2 ASP A 10 1.177 6.161 11.890 1.00 0.00 O ATOM 0 H ASP A 10 0.066 6.796 7.075 1.00 0.00 H new ATOM 0 HA ASP A 10 2.155 5.285 8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.675 7.155 9.644 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.600 5.955 9.583 1.00 0.00 H new ATOM 100 N ALA A 11 1.183 3.101 7.946 1.00 0.00 N ATOM 101 CA ALA A 11 0.643 1.787 7.620 1.00 0.00 C ATOM 102 C ALA A 11 -0.279 1.282 8.724 1.00 0.00 C ATOM 103 O ALA A 11 -1.311 0.669 8.452 1.00 0.00 O ATOM 104 CB ALA A 11 1.774 0.797 7.381 1.00 0.00 C ATOM 0 H ALA A 11 2.186 3.112 8.129 1.00 0.00 H new ATOM 0 HA ALA A 11 0.055 1.880 6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.357 -0.180 7.138 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.392 1.144 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.384 0.718 8.281 1.00 0.00 H new ATOM 110 N SER A 12 0.099 1.544 9.971 1.00 0.00 N ATOM 111 CA SER A 12 -0.692 1.112 11.117 1.00 0.00 C ATOM 112 C SER A 12 -2.148 1.544 10.965 1.00 0.00 C ATOM 113 O SER A 12 -3.058 0.895 11.482 1.00 0.00 O ATOM 114 CB SER A 12 -0.111 1.686 12.410 1.00 0.00 C ATOM 115 OG SER A 12 1.200 1.199 12.640 1.00 0.00 O ATOM 0 H SER A 12 0.949 2.054 10.213 1.00 0.00 H new ATOM 0 HA SER A 12 -0.656 0.024 11.163 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.093 2.774 12.353 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.753 1.421 13.250 1.00 0.00 H new ATOM 0 HG SER A 12 1.550 1.582 13.471 1.00 0.00 H new ATOM 121 N LYS A 13 -2.361 2.644 10.251 1.00 0.00 N ATOM 122 CA LYS A 13 -3.705 3.164 10.029 1.00 0.00 C ATOM 123 C LYS A 13 -4.392 2.423 8.886 1.00 0.00 C ATOM 124 O LYS A 13 -5.615 2.286 8.870 1.00 0.00 O ATOM 125 CB LYS A 13 -3.649 4.662 9.719 1.00 0.00 C ATOM 126 CG LYS A 13 -2.966 5.482 10.800 1.00 0.00 C ATOM 127 CD LYS A 13 -3.724 5.411 12.115 1.00 0.00 C ATOM 128 CE LYS A 13 -3.018 6.200 13.208 1.00 0.00 C ATOM 129 NZ LYS A 13 -3.774 6.171 14.490 1.00 0.00 N ATOM 0 H LYS A 13 -1.620 3.193 9.816 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.284 3.009 10.940 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.123 4.810 8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.664 5.034 9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.949 5.119 10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.891 6.521 10.478 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.732 5.801 11.977 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.824 4.370 12.423 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.021 5.790 13.365 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.890 7.233 12.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -3.260 6.720 15.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.717 6.586 14.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.874 5.187 14.812 1.00 0.00 H new ATOM 143 N VAL A 14 -3.598 1.946 7.933 1.00 0.00 N ATOM 144 CA VAL A 14 -4.130 1.216 6.789 1.00 0.00 C ATOM 145 C VAL A 14 -4.900 -0.021 7.236 1.00 0.00 C ATOM 146 O VAL A 14 -4.354 -0.899 7.905 1.00 0.00 O ATOM 147 CB VAL A 14 -3.008 0.788 5.825 1.00 0.00 C ATOM 148 CG1 VAL A 14 -3.562 -0.095 4.718 1.00 0.00 C ATOM 149 CG2 VAL A 14 -2.310 2.010 5.244 1.00 0.00 C ATOM 0 H VAL A 14 -2.584 2.052 7.931 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.807 1.893 6.269 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.273 0.209 6.385 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.754 -0.387 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.012 -0.987 5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.318 0.455 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.520 1.689 4.565 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -3.033 2.617 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.877 2.600 6.052 1.00 0.00 H new ATOM 159 N THR A 15 -6.174 -0.087 6.860 1.00 0.00 N ATOM 160 CA THR A 15 -7.020 -1.216 7.223 1.00 0.00 C ATOM 161 C THR A 15 -7.405 -2.032 5.993 1.00 0.00 C ATOM 162 O THR A 15 -7.500 -1.499 4.888 1.00 0.00 O ATOM 163 CB THR A 15 -8.303 -0.751 7.937 1.00 0.00 C ATOM 164 OG1 THR A 15 -9.000 0.200 7.124 1.00 0.00 O ATOM 165 CG2 THR A 15 -7.975 -0.128 9.286 1.00 0.00 C ATOM 0 H THR A 15 -6.642 0.629 6.304 1.00 0.00 H new ATOM 0 HA THR A 15 -6.440 -1.839 7.904 1.00 0.00 H new ATOM 0 HB THR A 15 -8.937 -1.622 8.100 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.815 0.489 7.585 1.00 0.00 H new ATOM 0 HG21 THR A 15 -8.896 0.193 9.772 1.00 0.00 H new ATOM 0 HG22 THR A 15 -7.471 -0.863 9.913 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.323 0.733 9.140 1.00 0.00 H new ATOM 173 N SER A 16 -7.626 -3.327 6.194 1.00 0.00 N ATOM 174 CA SER A 16 -7.997 -4.217 5.100 1.00 0.00 C ATOM 175 C SER A 16 -9.220 -5.052 5.470 1.00 0.00 C ATOM 176 O SER A 16 -9.370 -5.481 6.614 1.00 0.00 O ATOM 177 CB SER A 16 -6.828 -5.136 4.743 1.00 0.00 C ATOM 178 OG SER A 16 -6.354 -5.827 5.886 1.00 0.00 O ATOM 0 H SER A 16 -7.555 -3.783 7.104 1.00 0.00 H new ATOM 0 HA SER A 16 -8.245 -3.604 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.144 -5.853 3.986 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.019 -4.549 4.308 1.00 0.00 H new ATOM 0 HG SER A 16 -5.608 -6.409 5.630 1.00 0.00 H new ATOM 184 N LYS A 17 -10.092 -5.277 4.493 1.00 0.00 N ATOM 185 CA LYS A 17 -11.302 -6.061 4.713 1.00 0.00 C ATOM 186 C LYS A 17 -11.499 -7.081 3.596 1.00 0.00 C ATOM 187 O LYS A 17 -11.072 -6.865 2.463 1.00 0.00 O ATOM 188 CB LYS A 17 -12.521 -5.140 4.799 1.00 0.00 C ATOM 189 CG LYS A 17 -12.655 -4.195 3.618 1.00 0.00 C ATOM 190 CD LYS A 17 -13.338 -2.898 4.016 1.00 0.00 C ATOM 191 CE LYS A 17 -12.349 -1.905 4.608 1.00 0.00 C ATOM 192 NZ LYS A 17 -12.108 -2.160 6.056 1.00 0.00 N ATOM 0 H LYS A 17 -9.983 -4.928 3.541 1.00 0.00 H new ATOM 0 HA LYS A 17 -11.192 -6.598 5.655 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.422 -5.750 4.870 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.459 -4.555 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.667 -3.977 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.226 -4.680 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.820 -2.457 3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -14.124 -3.107 4.742 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.405 -1.965 4.066 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.728 -0.892 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.933 -1.258 6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.943 -2.621 6.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.280 -2.780 6.166 1.00 0.00 H new ATOM 206 N GLY A 18 -12.151 -8.192 3.924 1.00 0.00 N ATOM 207 CA GLY A 18 -12.395 -9.228 2.937 1.00 0.00 C ATOM 208 C GLY A 18 -11.961 -10.599 3.417 1.00 0.00 C ATOM 209 O GLY A 18 -10.899 -10.745 4.020 1.00 0.00 O ATOM 0 H GLY A 18 -12.515 -8.393 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -13.457 -9.251 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.863 -8.983 2.018 1.00 0.00 H new ATOM 213 N ALA A 19 -12.786 -11.606 3.149 1.00 0.00 N ATOM 214 CA ALA A 19 -12.482 -12.972 3.557 1.00 0.00 C ATOM 215 C ALA A 19 -11.082 -13.379 3.109 1.00 0.00 C ATOM 216 O ALA A 19 -10.333 -13.996 3.865 1.00 0.00 O ATOM 217 CB ALA A 19 -13.519 -13.934 2.996 1.00 0.00 C ATOM 0 H ALA A 19 -13.670 -11.501 2.651 1.00 0.00 H new ATOM 0 HA ALA A 19 -12.514 -13.016 4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.279 -14.950 3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.506 -13.663 3.369 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -13.515 -13.879 1.907 1.00 0.00 H new ATOM 223 N GLY A 20 -10.736 -13.031 1.874 1.00 0.00 N ATOM 224 CA GLY A 20 -9.427 -13.370 1.346 1.00 0.00 C ATOM 225 C GLY A 20 -8.315 -13.100 2.340 1.00 0.00 C ATOM 226 O GLY A 20 -7.279 -13.767 2.320 1.00 0.00 O ATOM 0 H GLY A 20 -11.339 -12.520 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.413 -14.423 1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.245 -12.796 0.437 1.00 0.00 H new ATOM 230 N LEU A 21 -8.526 -12.120 3.211 1.00 0.00 N ATOM 231 CA LEU A 21 -7.531 -11.762 4.216 1.00 0.00 C ATOM 232 C LEU A 21 -7.504 -12.788 5.344 1.00 0.00 C ATOM 233 O LEU A 21 -6.449 -13.075 5.910 1.00 0.00 O ATOM 234 CB LEU A 21 -7.827 -10.372 4.783 1.00 0.00 C ATOM 235 CG LEU A 21 -7.672 -9.203 3.809 1.00 0.00 C ATOM 236 CD1 LEU A 21 -8.503 -8.014 4.266 1.00 0.00 C ATOM 237 CD2 LEU A 21 -6.207 -8.812 3.675 1.00 0.00 C ATOM 0 H LEU A 21 -9.377 -11.559 3.242 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.553 -11.751 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.848 -10.367 5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.167 -10.200 5.633 1.00 0.00 H new ATOM 0 HG LEU A 21 -8.034 -9.519 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.380 -7.192 3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.554 -8.300 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.171 -7.697 5.255 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.115 -7.979 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.819 -8.515 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.636 -9.662 3.301 1.00 0.00 H new ATOM 249 N SER A 22 -8.670 -13.340 5.664 1.00 0.00 N ATOM 250 CA SER A 22 -8.780 -14.334 6.725 1.00 0.00 C ATOM 251 C SER A 22 -8.510 -15.735 6.187 1.00 0.00 C ATOM 252 O SER A 22 -7.647 -16.453 6.694 1.00 0.00 O ATOM 253 CB SER A 22 -10.170 -14.278 7.363 1.00 0.00 C ATOM 254 OG SER A 22 -10.224 -15.071 8.536 1.00 0.00 O ATOM 0 H SER A 22 -9.552 -13.116 5.203 1.00 0.00 H new ATOM 0 HA SER A 22 -8.031 -14.105 7.483 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.421 -13.246 7.606 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.916 -14.628 6.649 1.00 0.00 H new ATOM 0 HG SER A 22 -11.121 -15.017 8.926 1.00 0.00 H new ATOM 260 N LYS A 23 -9.255 -16.120 5.156 1.00 0.00 N ATOM 261 CA LYS A 23 -9.098 -17.435 4.546 1.00 0.00 C ATOM 262 C LYS A 23 -9.528 -17.411 3.083 1.00 0.00 C ATOM 263 O LYS A 23 -10.126 -16.441 2.618 1.00 0.00 O ATOM 264 CB LYS A 23 -9.917 -18.476 5.312 1.00 0.00 C ATOM 265 CG LYS A 23 -11.405 -18.177 5.344 1.00 0.00 C ATOM 266 CD LYS A 23 -12.194 -19.332 5.938 1.00 0.00 C ATOM 267 CE LYS A 23 -12.266 -19.236 7.454 1.00 0.00 C ATOM 268 NZ LYS A 23 -13.007 -20.383 8.048 1.00 0.00 N ATOM 0 H LYS A 23 -9.974 -15.539 4.725 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.043 -17.706 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.761 -19.454 4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.545 -18.537 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.583 -17.275 5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.758 -17.976 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.202 -19.336 5.524 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.729 -20.276 5.654 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.257 -19.204 7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.754 -18.303 7.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.034 -20.281 9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.978 -20.399 7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.527 -21.272 7.801 1.00 0.00 H new ATOM 282 N ALA A 24 -9.221 -18.485 2.363 1.00 0.00 N ATOM 283 CA ALA A 24 -9.579 -18.588 0.954 1.00 0.00 C ATOM 284 C ALA A 24 -10.067 -19.992 0.612 1.00 0.00 C ATOM 285 O ALA A 24 -9.852 -20.936 1.372 1.00 0.00 O ATOM 286 CB ALA A 24 -8.393 -18.212 0.079 1.00 0.00 C ATOM 0 H ALA A 24 -8.725 -19.296 2.733 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.395 -17.891 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.675 -18.294 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.092 -17.187 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.561 -18.886 0.285 1.00 0.00 H new ATOM 292 N PHE A 25 -10.726 -20.122 -0.534 1.00 0.00 N ATOM 293 CA PHE A 25 -11.246 -21.411 -0.975 1.00 0.00 C ATOM 294 C PHE A 25 -10.750 -21.746 -2.379 1.00 0.00 C ATOM 295 O PHE A 25 -10.685 -20.879 -3.250 1.00 0.00 O ATOM 296 CB PHE A 25 -12.776 -21.402 -0.951 1.00 0.00 C ATOM 297 CG PHE A 25 -13.354 -21.485 0.432 1.00 0.00 C ATOM 298 CD1 PHE A 25 -13.180 -20.447 1.333 1.00 0.00 C ATOM 299 CD2 PHE A 25 -14.073 -22.600 0.832 1.00 0.00 C ATOM 300 CE1 PHE A 25 -13.711 -20.520 2.607 1.00 0.00 C ATOM 301 CE2 PHE A 25 -14.606 -22.679 2.105 1.00 0.00 C ATOM 302 CZ PHE A 25 -14.425 -21.638 2.993 1.00 0.00 C ATOM 0 H PHE A 25 -10.913 -19.350 -1.175 1.00 0.00 H new ATOM 0 HA PHE A 25 -10.883 -22.176 -0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.134 -20.491 -1.432 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.146 -22.240 -1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.623 -19.571 1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -14.219 -23.417 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -13.568 -19.704 3.300 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -15.163 -23.554 2.404 1.00 0.00 H new ATOM 0 HZ PHE A 25 -14.841 -21.697 3.988 1.00 0.00 H new ATOM 312 N VAL A 26 -10.400 -23.011 -2.590 1.00 0.00 N ATOM 313 CA VAL A 26 -9.910 -23.462 -3.887 1.00 0.00 C ATOM 314 C VAL A 26 -10.900 -23.125 -4.996 1.00 0.00 C ATOM 315 O VAL A 26 -12.088 -23.430 -4.896 1.00 0.00 O ATOM 316 CB VAL A 26 -9.649 -24.980 -3.891 1.00 0.00 C ATOM 317 CG1 VAL A 26 -9.141 -25.431 -5.252 1.00 0.00 C ATOM 318 CG2 VAL A 26 -8.663 -25.353 -2.794 1.00 0.00 C ATOM 0 H VAL A 26 -10.447 -23.741 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.972 -22.939 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.590 -25.494 -3.693 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.962 -26.506 -5.236 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.885 -25.198 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.211 -24.912 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.490 -26.429 -2.811 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.720 -24.831 -2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.071 -25.066 -1.825 1.00 0.00 H new ATOM 328 N GLY A 27 -10.403 -22.494 -6.055 1.00 0.00 N ATOM 329 CA GLY A 27 -11.257 -22.126 -7.169 1.00 0.00 C ATOM 330 C GLY A 27 -11.970 -20.808 -6.942 1.00 0.00 C ATOM 331 O GLY A 27 -11.961 -19.933 -7.807 1.00 0.00 O ATOM 0 H GLY A 27 -9.423 -22.231 -6.161 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.657 -22.059 -8.076 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.995 -22.911 -7.332 1.00 0.00 H new ATOM 335 N GLN A 28 -12.591 -20.666 -5.775 1.00 0.00 N ATOM 336 CA GLN A 28 -13.315 -19.446 -5.438 1.00 0.00 C ATOM 337 C GLN A 28 -12.387 -18.236 -5.473 1.00 0.00 C ATOM 338 O GLN A 28 -11.311 -18.248 -4.875 1.00 0.00 O ATOM 339 CB GLN A 28 -13.955 -19.572 -4.055 1.00 0.00 C ATOM 340 CG GLN A 28 -15.068 -20.606 -3.993 1.00 0.00 C ATOM 341 CD GLN A 28 -15.888 -20.505 -2.722 1.00 0.00 C ATOM 342 OE1 GLN A 28 -16.587 -19.516 -2.497 1.00 0.00 O ATOM 343 NE2 GLN A 28 -15.808 -21.530 -1.882 1.00 0.00 N ATOM 0 H GLN A 28 -12.607 -21.381 -5.047 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.099 -19.302 -6.181 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.185 -19.835 -3.330 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -14.354 -18.602 -3.759 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.724 -20.481 -4.855 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.636 -21.604 -4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.216 -22.330 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.338 -21.518 -1.011 1.00 0.00 H new ATOM 352 N LYS A 29 -12.810 -17.192 -6.177 1.00 0.00 N ATOM 353 CA LYS A 29 -12.019 -15.972 -6.290 1.00 0.00 C ATOM 354 C LYS A 29 -12.090 -15.156 -5.003 1.00 0.00 C ATOM 355 O LYS A 29 -13.149 -14.646 -4.638 1.00 0.00 O ATOM 356 CB LYS A 29 -12.509 -15.129 -7.469 1.00 0.00 C ATOM 357 CG LYS A 29 -11.436 -14.234 -8.065 1.00 0.00 C ATOM 358 CD LYS A 29 -11.936 -13.513 -9.305 1.00 0.00 C ATOM 359 CE LYS A 29 -11.722 -14.346 -10.559 1.00 0.00 C ATOM 360 NZ LYS A 29 -12.285 -13.684 -11.768 1.00 0.00 N ATOM 0 H LYS A 29 -13.698 -17.166 -6.679 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.981 -16.257 -6.462 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.889 -15.792 -8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -13.344 -14.511 -7.140 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.117 -13.503 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.561 -14.833 -8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -12.997 -13.288 -9.193 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -11.417 -12.560 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.655 -14.518 -10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -12.188 -15.323 -10.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.119 -14.284 -12.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.308 -13.543 -11.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.823 -12.763 -11.906 1.00 0.00 H new ATOM 374 N SER A 30 -10.956 -15.036 -4.320 1.00 0.00 N ATOM 375 CA SER A 30 -10.891 -14.284 -3.073 1.00 0.00 C ATOM 376 C SER A 30 -10.484 -12.837 -3.332 1.00 0.00 C ATOM 377 O SER A 30 -9.452 -12.571 -3.948 1.00 0.00 O ATOM 378 CB SER A 30 -9.901 -14.939 -2.109 1.00 0.00 C ATOM 379 OG SER A 30 -10.532 -15.945 -1.335 1.00 0.00 O ATOM 0 H SER A 30 -10.070 -15.450 -4.609 1.00 0.00 H new ATOM 0 HA SER A 30 -11.883 -14.289 -2.622 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.074 -15.373 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 30 -9.475 -14.182 -1.450 1.00 0.00 H new ATOM 0 HG SER A 30 -9.998 -16.124 -0.533 1.00 0.00 H new ATOM 385 N SER A 31 -11.302 -11.904 -2.857 1.00 0.00 N ATOM 386 CA SER A 31 -11.031 -10.483 -3.039 1.00 0.00 C ATOM 387 C SER A 31 -11.003 -9.758 -1.697 1.00 0.00 C ATOM 388 O SER A 31 -11.537 -10.249 -0.702 1.00 0.00 O ATOM 389 CB SER A 31 -12.087 -9.853 -3.950 1.00 0.00 C ATOM 390 OG SER A 31 -13.212 -9.423 -3.204 1.00 0.00 O ATOM 0 H SER A 31 -12.159 -12.107 -2.343 1.00 0.00 H new ATOM 0 HA SER A 31 -10.051 -10.383 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.654 -9.006 -4.482 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.401 -10.576 -4.703 1.00 0.00 H new ATOM 0 HG SER A 31 -13.872 -9.023 -3.808 1.00 0.00 H new ATOM 396 N PHE A 32 -10.376 -8.587 -1.677 1.00 0.00 N ATOM 397 CA PHE A 32 -10.276 -7.793 -0.458 1.00 0.00 C ATOM 398 C PHE A 32 -9.960 -6.336 -0.782 1.00 0.00 C ATOM 399 O PHE A 32 -9.130 -6.045 -1.644 1.00 0.00 O ATOM 400 CB PHE A 32 -9.198 -8.368 0.463 1.00 0.00 C ATOM 401 CG PHE A 32 -7.824 -8.356 -0.142 1.00 0.00 C ATOM 402 CD1 PHE A 32 -7.020 -7.231 -0.047 1.00 0.00 C ATOM 403 CD2 PHE A 32 -7.335 -9.469 -0.806 1.00 0.00 C ATOM 404 CE1 PHE A 32 -5.755 -7.217 -0.602 1.00 0.00 C ATOM 405 CE2 PHE A 32 -6.070 -9.461 -1.363 1.00 0.00 C ATOM 406 CZ PHE A 32 -5.279 -8.333 -1.262 1.00 0.00 C ATOM 0 H PHE A 32 -9.929 -8.166 -2.492 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.239 -7.833 0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.182 -7.797 1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.463 -9.393 0.723 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.387 -6.355 0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.949 -10.353 -0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.139 -6.334 -0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.700 -10.336 -1.877 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.291 -8.324 -1.698 1.00 0.00 H new ATOM 416 N LEU A 33 -10.627 -5.423 -0.084 1.00 0.00 N ATOM 417 CA LEU A 33 -10.419 -3.995 -0.296 1.00 0.00 C ATOM 418 C LEU A 33 -9.615 -3.386 0.848 1.00 0.00 C ATOM 419 O LEU A 33 -9.861 -3.678 2.018 1.00 0.00 O ATOM 420 CB LEU A 33 -11.764 -3.278 -0.428 1.00 0.00 C ATOM 421 CG LEU A 33 -11.745 -1.950 -1.186 1.00 0.00 C ATOM 422 CD1 LEU A 33 -10.710 -1.009 -0.588 1.00 0.00 C ATOM 423 CD2 LEU A 33 -11.465 -2.183 -2.663 1.00 0.00 C ATOM 0 H LEU A 33 -11.316 -5.646 0.634 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.854 -3.868 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.463 -3.949 -0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.156 -3.097 0.573 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.727 -1.486 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.711 -0.069 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.954 -0.816 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.723 -1.466 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.455 -1.227 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.496 -2.669 -2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.243 -2.820 -3.085 1.00 0.00 H new ATOM 435 N VAL A 34 -8.652 -2.537 0.501 1.00 0.00 N ATOM 436 CA VAL A 34 -7.813 -1.884 1.499 1.00 0.00 C ATOM 437 C VAL A 34 -8.032 -0.375 1.498 1.00 0.00 C ATOM 438 O VAL A 34 -7.850 0.288 0.477 1.00 0.00 O ATOM 439 CB VAL A 34 -6.321 -2.176 1.255 1.00 0.00 C ATOM 440 CG1 VAL A 34 -5.465 -1.504 2.318 1.00 0.00 C ATOM 441 CG2 VAL A 34 -6.069 -3.675 1.225 1.00 0.00 C ATOM 0 H VAL A 34 -8.434 -2.286 -0.463 1.00 0.00 H new ATOM 0 HA VAL A 34 -8.101 -2.289 2.469 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.042 -1.765 0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.414 -1.721 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.624 -0.426 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.743 -1.882 3.302 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.009 -3.862 1.052 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.364 -4.113 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.653 -4.126 0.423 1.00 0.00 H new ATOM 451 N ASP A 35 -8.423 0.161 2.649 1.00 0.00 N ATOM 452 CA ASP A 35 -8.665 1.593 2.782 1.00 0.00 C ATOM 453 C ASP A 35 -7.395 2.321 3.211 1.00 0.00 C ATOM 454 O ASP A 35 -6.903 2.128 4.324 1.00 0.00 O ATOM 455 CB ASP A 35 -9.783 1.851 3.794 1.00 0.00 C ATOM 456 CG ASP A 35 -10.240 3.296 3.795 1.00 0.00 C ATOM 457 OD1 ASP A 35 -9.384 4.189 3.626 1.00 0.00 O ATOM 458 OD2 ASP A 35 -11.454 3.535 3.967 1.00 0.00 O ATOM 0 H ASP A 35 -8.579 -0.374 3.503 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.971 1.977 1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.631 1.205 3.567 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.435 1.582 4.792 1.00 0.00 H new ATOM 463 N CYS A 36 -6.869 3.157 2.323 1.00 0.00 N ATOM 464 CA CYS A 36 -5.655 3.913 2.609 1.00 0.00 C ATOM 465 C CYS A 36 -5.958 5.403 2.727 1.00 0.00 C ATOM 466 O CYS A 36 -5.133 6.244 2.370 1.00 0.00 O ATOM 467 CB CYS A 36 -4.613 3.677 1.516 1.00 0.00 C ATOM 468 SG CYS A 36 -4.372 1.936 1.089 1.00 0.00 S ATOM 0 H CYS A 36 -7.264 3.329 1.399 1.00 0.00 H new ATOM 0 HA CYS A 36 -5.256 3.565 3.562 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -4.912 4.222 0.620 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -3.660 4.096 1.841 1.00 0.00 H new ATOM 0 HG CYS A 36 -3.167 1.764 0.633 1.00 0.00 H new ATOM 474 N SER A 37 -7.146 5.722 3.229 1.00 0.00 N ATOM 475 CA SER A 37 -7.560 7.112 3.389 1.00 0.00 C ATOM 476 C SER A 37 -6.916 7.732 4.625 1.00 0.00 C ATOM 477 O SER A 37 -6.160 8.699 4.527 1.00 0.00 O ATOM 478 CB SER A 37 -9.084 7.203 3.494 1.00 0.00 C ATOM 479 OG SER A 37 -9.547 8.480 3.090 1.00 0.00 O ATOM 0 H SER A 37 -7.839 5.038 3.532 1.00 0.00 H new ATOM 0 HA SER A 37 -7.229 7.667 2.511 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.541 6.433 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.393 7.009 4.521 1.00 0.00 H new ATOM 0 HG SER A 37 -10.524 8.512 3.164 1.00 0.00 H new ATOM 485 N LYS A 38 -7.221 7.168 5.789 1.00 0.00 N ATOM 486 CA LYS A 38 -6.672 7.662 7.046 1.00 0.00 C ATOM 487 C LYS A 38 -5.150 7.554 7.056 1.00 0.00 C ATOM 488 O LYS A 38 -4.467 8.341 7.709 1.00 0.00 O ATOM 489 CB LYS A 38 -7.257 6.880 8.225 1.00 0.00 C ATOM 490 CG LYS A 38 -7.120 5.374 8.083 1.00 0.00 C ATOM 491 CD LYS A 38 -7.843 4.641 9.200 1.00 0.00 C ATOM 492 CE LYS A 38 -9.321 4.463 8.885 1.00 0.00 C ATOM 493 NZ LYS A 38 -9.557 3.317 7.964 1.00 0.00 N ATOM 0 H LYS A 38 -7.846 6.368 5.888 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.945 8.713 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.761 7.197 9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.312 7.132 8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.523 5.060 7.120 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.065 5.101 8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.383 3.665 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.733 5.196 10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.873 4.304 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.709 5.377 8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.576 3.229 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.051 3.480 7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.210 2.441 8.404 1.00 0.00 H new ATOM 507 N ALA A 39 -4.627 6.574 6.326 1.00 0.00 N ATOM 508 CA ALA A 39 -3.186 6.366 6.248 1.00 0.00 C ATOM 509 C ALA A 39 -2.475 7.624 5.763 1.00 0.00 C ATOM 510 O ALA A 39 -1.728 8.254 6.511 1.00 0.00 O ATOM 511 CB ALA A 39 -2.872 5.193 5.331 1.00 0.00 C ATOM 0 H ALA A 39 -5.179 5.912 5.781 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.822 6.138 7.250 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.793 5.049 5.282 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.341 4.290 5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.257 5.399 4.332 1.00 0.00 H new ATOM 517 N GLY A 40 -2.711 7.985 4.505 1.00 0.00 N ATOM 518 CA GLY A 40 -2.084 9.167 3.943 1.00 0.00 C ATOM 519 C GLY A 40 -2.029 9.129 2.428 1.00 0.00 C ATOM 520 O GLY A 40 -3.036 8.868 1.770 1.00 0.00 O ATOM 0 H GLY A 40 -3.325 7.480 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.634 10.053 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.072 9.261 4.338 1.00 0.00 H new ATOM 524 N SER A 41 -0.850 9.391 1.874 1.00 0.00 N ATOM 525 CA SER A 41 -0.669 9.390 0.427 1.00 0.00 C ATOM 526 C SER A 41 0.551 8.563 0.032 1.00 0.00 C ATOM 527 O SER A 41 1.649 9.094 -0.128 1.00 0.00 O ATOM 528 CB SER A 41 -0.517 10.823 -0.089 1.00 0.00 C ATOM 529 OG SER A 41 -1.781 11.414 -0.332 1.00 0.00 O ATOM 0 H SER A 41 -0.006 9.607 2.405 1.00 0.00 H new ATOM 0 HA SER A 41 -1.553 8.940 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.032 11.419 0.640 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.070 10.822 -1.007 1.00 0.00 H new ATOM 0 HG SER A 41 -1.657 12.329 -0.659 1.00 0.00 H new ATOM 535 N ASN A 42 0.349 7.259 -0.123 1.00 0.00 N ATOM 536 CA ASN A 42 1.431 6.357 -0.498 1.00 0.00 C ATOM 537 C ASN A 42 0.957 5.339 -1.531 1.00 0.00 C ATOM 538 O ASN A 42 -0.203 5.348 -1.939 1.00 0.00 O ATOM 539 CB ASN A 42 1.972 5.633 0.737 1.00 0.00 C ATOM 540 CG ASN A 42 3.104 6.392 1.402 1.00 0.00 C ATOM 541 OD1 ASN A 42 3.986 5.665 2.078 1.00 0.00 O flip ATOM 542 ND2 ASN A 42 3.185 7.617 1.308 1.00 0.00 N flip ATOM 0 H ASN A 42 -0.554 6.803 0.005 1.00 0.00 H new ATOM 0 HA ASN A 42 2.230 6.953 -0.940 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.164 5.490 1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 42 2.322 4.642 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.484 8.135 0.778 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.953 8.114 1.760 1.00 0.00 H new ATOM 549 N MET A 43 1.864 4.461 -1.948 1.00 0.00 N ATOM 550 CA MET A 43 1.539 3.435 -2.932 1.00 0.00 C ATOM 551 C MET A 43 1.271 2.096 -2.252 1.00 0.00 C ATOM 552 O MET A 43 1.992 1.698 -1.337 1.00 0.00 O ATOM 553 CB MET A 43 2.677 3.288 -3.943 1.00 0.00 C ATOM 554 CG MET A 43 4.027 3.007 -3.303 1.00 0.00 C ATOM 555 SD MET A 43 5.229 2.350 -4.475 1.00 0.00 S ATOM 556 CE MET A 43 4.470 0.783 -4.896 1.00 0.00 C ATOM 0 H MET A 43 2.829 4.440 -1.620 1.00 0.00 H new ATOM 0 HA MET A 43 0.635 3.744 -3.457 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.436 2.480 -4.633 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.747 4.201 -4.534 1.00 0.00 H new ATOM 0 HG2 MET A 43 4.416 3.927 -2.867 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.897 2.297 -2.486 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.205 -0.016 -4.798 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.634 0.591 -4.223 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.108 0.818 -5.924 1.00 0.00 H new ATOM 566 N LEU A 44 0.230 1.406 -2.705 1.00 0.00 N ATOM 567 CA LEU A 44 -0.134 0.111 -2.140 1.00 0.00 C ATOM 568 C LEU A 44 0.269 -1.024 -3.076 1.00 0.00 C ATOM 569 O LEU A 44 -0.329 -1.209 -4.137 1.00 0.00 O ATOM 570 CB LEU A 44 -1.638 0.055 -1.869 1.00 0.00 C ATOM 571 CG LEU A 44 -2.129 -1.142 -1.053 1.00 0.00 C ATOM 572 CD1 LEU A 44 -1.774 -0.968 0.416 1.00 0.00 C ATOM 573 CD2 LEU A 44 -3.630 -1.323 -1.223 1.00 0.00 C ATOM 0 H LEU A 44 -0.377 1.721 -3.462 1.00 0.00 H new ATOM 0 HA LEU A 44 0.403 -0.011 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.927 0.968 -1.348 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.160 0.055 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.631 -2.038 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.131 -1.829 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.692 -0.888 0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.244 -0.062 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.962 -2.179 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.146 -0.426 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.859 -1.494 -2.275 1.00 0.00 H new ATOM 585 N LEU A 45 1.283 -1.782 -2.676 1.00 0.00 N ATOM 586 CA LEU A 45 1.765 -2.901 -3.478 1.00 0.00 C ATOM 587 C LEU A 45 1.569 -4.223 -2.742 1.00 0.00 C ATOM 588 O LEU A 45 1.315 -4.242 -1.537 1.00 0.00 O ATOM 589 CB LEU A 45 3.243 -2.710 -3.820 1.00 0.00 C ATOM 590 CG LEU A 45 4.239 -3.040 -2.707 1.00 0.00 C ATOM 591 CD1 LEU A 45 3.871 -2.306 -1.427 1.00 0.00 C ATOM 592 CD2 LEU A 45 4.291 -4.542 -2.467 1.00 0.00 C ATOM 0 H LEU A 45 1.788 -1.642 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 45 1.186 -2.930 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.478 -3.330 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.395 -1.673 -4.120 1.00 0.00 H new ATOM 0 HG LEU A 45 5.229 -2.708 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.591 -2.553 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.885 -1.231 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.873 -2.607 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.005 -4.759 -1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.303 -4.898 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.603 -5.046 -3.382 1.00 0.00 H new ATOM 604 N ILE A 46 1.690 -5.325 -3.473 1.00 0.00 N ATOM 605 CA ILE A 46 1.530 -6.651 -2.889 1.00 0.00 C ATOM 606 C ILE A 46 2.710 -7.552 -3.236 1.00 0.00 C ATOM 607 O ILE A 46 3.326 -7.407 -4.291 1.00 0.00 O ATOM 608 CB ILE A 46 0.228 -7.323 -3.366 1.00 0.00 C ATOM 609 CG1 ILE A 46 -0.966 -6.396 -3.130 1.00 0.00 C ATOM 610 CG2 ILE A 46 0.025 -8.650 -2.651 1.00 0.00 C ATOM 611 CD1 ILE A 46 -1.255 -6.143 -1.667 1.00 0.00 C ATOM 0 H ILE A 46 1.898 -5.326 -4.471 1.00 0.00 H new ATOM 0 HA ILE A 46 1.485 -6.516 -1.808 1.00 0.00 H new ATOM 0 HB ILE A 46 0.307 -7.517 -4.436 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.779 -5.443 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.850 -6.830 -3.597 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.899 -9.113 -2.998 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.865 -9.311 -2.865 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.037 -8.479 -1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.114 -5.478 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.474 -7.088 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.386 -5.680 -1.199 1.00 0.00 H new ATOM 623 N GLY A 47 3.020 -8.484 -2.340 1.00 0.00 N ATOM 624 CA GLY A 47 4.125 -9.397 -2.571 1.00 0.00 C ATOM 625 C GLY A 47 3.787 -10.824 -2.190 1.00 0.00 C ATOM 626 O GLY A 47 4.517 -11.461 -1.429 1.00 0.00 O ATOM 0 H GLY A 47 2.526 -8.623 -1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.407 -9.362 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.991 -9.067 -1.998 1.00 0.00 H new ATOM 630 N VAL A 48 2.676 -11.329 -2.717 1.00 0.00 N ATOM 631 CA VAL A 48 2.242 -12.691 -2.427 1.00 0.00 C ATOM 632 C VAL A 48 3.424 -13.654 -2.423 1.00 0.00 C ATOM 633 O VAL A 48 4.028 -13.918 -3.462 1.00 0.00 O ATOM 634 CB VAL A 48 1.201 -13.178 -3.452 1.00 0.00 C ATOM 635 CG1 VAL A 48 -0.057 -12.326 -3.381 1.00 0.00 C ATOM 636 CG2 VAL A 48 1.787 -13.162 -4.856 1.00 0.00 C ATOM 0 H VAL A 48 2.060 -10.815 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 48 1.786 -12.675 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 48 0.930 -14.205 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.781 -12.685 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.487 -12.394 -2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.194 -11.288 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.037 -13.509 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.088 -12.146 -5.113 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.656 -13.819 -4.895 1.00 0.00 H new ATOM 646 N HIS A 49 3.748 -14.179 -1.245 1.00 0.00 N ATOM 647 CA HIS A 49 4.857 -15.115 -1.104 1.00 0.00 C ATOM 648 C HIS A 49 4.501 -16.473 -1.703 1.00 0.00 C ATOM 649 O HIS A 49 3.356 -16.915 -1.626 1.00 0.00 O ATOM 650 CB HIS A 49 5.232 -15.277 0.369 1.00 0.00 C ATOM 651 CG HIS A 49 6.273 -14.306 0.833 1.00 0.00 C ATOM 652 ND1 HIS A 49 6.018 -12.965 1.028 1.00 0.00 N ATOM 653 CD2 HIS A 49 7.579 -14.488 1.142 1.00 0.00 C ATOM 654 CE1 HIS A 49 7.122 -12.364 1.435 1.00 0.00 C ATOM 655 NE2 HIS A 49 8.083 -13.266 1.513 1.00 0.00 N ATOM 0 H HIS A 49 3.258 -13.972 -0.375 1.00 0.00 H new ATOM 0 HA HIS A 49 5.712 -14.711 -1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.337 -15.156 0.979 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.595 -16.292 0.533 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.123 -15.420 1.104 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.221 -11.313 1.665 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.044 -13.084 1.802 1.00 0.00 H new ATOM 663 N GLY A 50 5.492 -17.129 -2.301 1.00 0.00 N ATOM 664 CA GLY A 50 5.262 -18.428 -2.905 1.00 0.00 C ATOM 665 C GLY A 50 6.377 -19.411 -2.606 1.00 0.00 C ATOM 666 O GLY A 50 7.069 -19.890 -3.504 1.00 0.00 O ATOM 0 H GLY A 50 6.449 -16.784 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.318 -18.833 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.164 -18.311 -3.984 1.00 0.00 H new ATOM 670 N PRO A 51 6.564 -19.725 -1.315 1.00 0.00 N ATOM 671 CA PRO A 51 7.602 -20.659 -0.870 1.00 0.00 C ATOM 672 C PRO A 51 7.301 -22.098 -1.278 1.00 0.00 C ATOM 673 O PRO A 51 8.203 -22.852 -1.645 1.00 0.00 O ATOM 674 CB PRO A 51 7.576 -20.519 0.654 1.00 0.00 C ATOM 675 CG PRO A 51 6.196 -20.054 0.968 1.00 0.00 C ATOM 676 CD PRO A 51 5.776 -19.193 -0.191 1.00 0.00 C ATOM 0 HA PRO A 51 8.571 -20.434 -1.316 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.795 -21.469 1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.323 -19.804 0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.518 -20.899 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.177 -19.490 1.900 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.705 -19.268 -0.380 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.995 -18.141 -0.010 1.00 0.00 H new ATOM 684 N THR A 52 6.027 -22.473 -1.211 1.00 0.00 N ATOM 685 CA THR A 52 5.608 -23.821 -1.573 1.00 0.00 C ATOM 686 C THR A 52 4.601 -23.795 -2.717 1.00 0.00 C ATOM 687 O THR A 52 4.831 -24.384 -3.774 1.00 0.00 O ATOM 688 CB THR A 52 4.983 -24.556 -0.372 1.00 0.00 C ATOM 689 OG1 THR A 52 3.904 -23.785 0.167 1.00 0.00 O ATOM 690 CG2 THR A 52 6.024 -24.807 0.710 1.00 0.00 C ATOM 0 H THR A 52 5.268 -21.862 -0.909 1.00 0.00 H new ATOM 0 HA THR A 52 6.503 -24.355 -1.892 1.00 0.00 H new ATOM 0 HB THR A 52 4.604 -25.517 -0.720 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.511 -24.260 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.560 -25.327 1.548 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.830 -25.419 0.305 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.429 -23.855 1.053 1.00 0.00 H new ATOM 698 N THR A 53 3.484 -23.107 -2.502 1.00 0.00 N ATOM 699 CA THR A 53 2.442 -23.005 -3.515 1.00 0.00 C ATOM 700 C THR A 53 1.992 -21.560 -3.697 1.00 0.00 C ATOM 701 O THR A 53 1.162 -21.044 -2.948 1.00 0.00 O ATOM 702 CB THR A 53 1.219 -23.870 -3.153 1.00 0.00 C ATOM 703 OG1 THR A 53 0.794 -23.582 -1.817 1.00 0.00 O ATOM 704 CG2 THR A 53 1.548 -25.350 -3.279 1.00 0.00 C ATOM 0 H THR A 53 3.278 -22.612 -1.634 1.00 0.00 H new ATOM 0 HA THR A 53 2.872 -23.369 -4.448 1.00 0.00 H new ATOM 0 HB THR A 53 0.414 -23.632 -3.848 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.742 -22.611 -1.692 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.670 -25.941 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.843 -25.571 -4.305 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.367 -25.599 -2.604 1.00 0.00 H new ATOM 712 N PRO A 54 2.550 -20.889 -4.715 1.00 0.00 N ATOM 713 CA PRO A 54 2.219 -19.494 -5.020 1.00 0.00 C ATOM 714 C PRO A 54 0.804 -19.339 -5.565 1.00 0.00 C ATOM 715 O PRO A 54 0.082 -20.323 -5.733 1.00 0.00 O ATOM 716 CB PRO A 54 3.248 -19.110 -6.086 1.00 0.00 C ATOM 717 CG PRO A 54 3.625 -20.399 -6.730 1.00 0.00 C ATOM 718 CD PRO A 54 3.546 -21.441 -5.649 1.00 0.00 C ATOM 0 HA PRO A 54 2.251 -18.864 -4.131 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.826 -18.414 -6.811 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.115 -18.621 -5.642 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.949 -20.637 -7.551 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.630 -20.347 -7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.234 -22.407 -6.045 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.511 -21.592 -5.165 1.00 0.00 H new ATOM 726 N CYS A 55 0.413 -18.099 -5.840 1.00 0.00 N ATOM 727 CA CYS A 55 -0.917 -17.816 -6.367 1.00 0.00 C ATOM 728 C CYS A 55 -0.901 -17.771 -7.891 1.00 0.00 C ATOM 729 O CYS A 55 0.131 -17.491 -8.502 1.00 0.00 O ATOM 730 CB CYS A 55 -1.437 -16.490 -5.811 1.00 0.00 C ATOM 731 SG CYS A 55 -0.631 -15.030 -6.511 1.00 0.00 S ATOM 0 H CYS A 55 0.998 -17.274 -5.707 1.00 0.00 H new ATOM 0 HA CYS A 55 -1.583 -18.620 -6.053 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.509 -16.425 -5.998 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.301 -16.483 -4.729 1.00 0.00 H new ATOM 0 HG CYS A 55 -1.146 -14.766 -7.675 1.00 0.00 H new ATOM 737 N GLU A 56 -2.049 -18.051 -8.499 1.00 0.00 N ATOM 738 CA GLU A 56 -2.165 -18.044 -9.953 1.00 0.00 C ATOM 739 C GLU A 56 -1.888 -16.652 -10.515 1.00 0.00 C ATOM 740 O GLU A 56 -1.184 -16.504 -11.513 1.00 0.00 O ATOM 741 CB GLU A 56 -3.559 -18.510 -10.378 1.00 0.00 C ATOM 742 CG GLU A 56 -3.701 -20.021 -10.446 1.00 0.00 C ATOM 743 CD GLU A 56 -3.107 -20.607 -11.712 1.00 0.00 C ATOM 744 OE1 GLU A 56 -3.425 -20.097 -12.807 1.00 0.00 O ATOM 745 OE2 GLU A 56 -2.325 -21.575 -11.609 1.00 0.00 O ATOM 0 H GLU A 56 -2.912 -18.285 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.422 -18.733 -10.354 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.294 -18.116 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.792 -18.087 -11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.213 -20.467 -9.580 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.757 -20.286 -10.388 1.00 0.00 H new ATOM 752 N GLU A 57 -2.449 -15.637 -9.865 1.00 0.00 N ATOM 753 CA GLU A 57 -2.264 -14.257 -10.301 1.00 0.00 C ATOM 754 C GLU A 57 -2.828 -13.282 -9.272 1.00 0.00 C ATOM 755 O GLU A 57 -3.440 -13.688 -8.284 1.00 0.00 O ATOM 756 CB GLU A 57 -2.937 -14.032 -11.656 1.00 0.00 C ATOM 757 CG GLU A 57 -4.454 -13.973 -11.580 1.00 0.00 C ATOM 758 CD GLU A 57 -5.113 -14.137 -12.935 1.00 0.00 C ATOM 759 OE1 GLU A 57 -5.124 -15.271 -13.457 1.00 0.00 O ATOM 760 OE2 GLU A 57 -5.619 -13.130 -13.474 1.00 0.00 O ATOM 0 H GLU A 57 -3.034 -15.744 -9.036 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.194 -14.075 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.567 -13.101 -12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.647 -14.834 -12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.811 -14.755 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.755 -13.019 -11.147 1.00 0.00 H new ATOM 767 N VAL A 58 -2.616 -11.991 -9.511 1.00 0.00 N ATOM 768 CA VAL A 58 -3.103 -10.956 -8.606 1.00 0.00 C ATOM 769 C VAL A 58 -3.528 -9.710 -9.375 1.00 0.00 C ATOM 770 O VAL A 58 -2.715 -9.077 -10.048 1.00 0.00 O ATOM 771 CB VAL A 58 -2.032 -10.567 -7.570 1.00 0.00 C ATOM 772 CG1 VAL A 58 -2.522 -9.420 -6.700 1.00 0.00 C ATOM 773 CG2 VAL A 58 -1.653 -11.769 -6.718 1.00 0.00 C ATOM 0 H VAL A 58 -2.111 -11.637 -10.323 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.967 -11.370 -8.086 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.141 -10.233 -8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.752 -9.159 -5.974 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.738 -8.555 -7.327 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.428 -9.723 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.895 -11.476 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -2.535 -12.136 -6.194 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.257 -12.558 -7.357 1.00 0.00 H new ATOM 783 N SER A 59 -4.806 -9.363 -9.269 1.00 0.00 N ATOM 784 CA SER A 59 -5.341 -8.194 -9.956 1.00 0.00 C ATOM 785 C SER A 59 -5.559 -7.042 -8.980 1.00 0.00 C ATOM 786 O SER A 59 -6.448 -7.095 -8.130 1.00 0.00 O ATOM 787 CB SER A 59 -6.657 -8.543 -10.654 1.00 0.00 C ATOM 788 OG SER A 59 -7.096 -7.477 -11.478 1.00 0.00 O ATOM 0 H SER A 59 -5.491 -9.875 -8.713 1.00 0.00 H new ATOM 0 HA SER A 59 -4.614 -7.880 -10.705 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.525 -9.442 -11.256 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.419 -8.768 -9.908 1.00 0.00 H new ATOM 0 HG SER A 59 -7.938 -7.726 -11.914 1.00 0.00 H new ATOM 794 N MET A 60 -4.742 -6.003 -9.109 1.00 0.00 N ATOM 795 CA MET A 60 -4.846 -4.837 -8.239 1.00 0.00 C ATOM 796 C MET A 60 -5.385 -3.633 -9.005 1.00 0.00 C ATOM 797 O MET A 60 -4.861 -3.269 -10.058 1.00 0.00 O ATOM 798 CB MET A 60 -3.481 -4.502 -7.634 1.00 0.00 C ATOM 799 CG MET A 60 -2.862 -5.652 -6.857 1.00 0.00 C ATOM 800 SD MET A 60 -1.221 -5.258 -6.222 1.00 0.00 S ATOM 801 CE MET A 60 -1.578 -3.800 -5.244 1.00 0.00 C ATOM 0 H MET A 60 -4.001 -5.944 -9.807 1.00 0.00 H new ATOM 0 HA MET A 60 -5.543 -5.076 -7.436 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.801 -4.207 -8.433 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.587 -3.643 -6.972 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.515 -5.917 -6.025 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.797 -6.528 -7.502 1.00 0.00 H new ATOM 0 HE1 MET A 60 -0.816 -3.683 -4.474 1.00 0.00 H new ATOM 0 HE2 MET A 60 -1.580 -2.921 -5.889 1.00 0.00 H new ATOM 0 HE3 MET A 60 -2.556 -3.908 -4.774 1.00 0.00 H new ATOM 811 N LYS A 61 -6.434 -3.018 -8.470 1.00 0.00 N ATOM 812 CA LYS A 61 -7.044 -1.854 -9.102 1.00 0.00 C ATOM 813 C LYS A 61 -7.272 -0.740 -8.086 1.00 0.00 C ATOM 814 O LYS A 61 -7.527 -1.001 -6.910 1.00 0.00 O ATOM 815 CB LYS A 61 -8.372 -2.242 -9.757 1.00 0.00 C ATOM 816 CG LYS A 61 -8.712 -1.409 -10.981 1.00 0.00 C ATOM 817 CD LYS A 61 -9.528 -0.182 -10.612 1.00 0.00 C ATOM 818 CE LYS A 61 -9.648 0.781 -11.783 1.00 0.00 C ATOM 819 NZ LYS A 61 -10.409 2.008 -11.417 1.00 0.00 N ATOM 0 H LYS A 61 -6.880 -3.307 -7.599 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.361 -1.488 -9.868 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.333 -3.293 -10.042 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.173 -2.140 -9.024 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.793 -1.099 -11.478 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.270 -2.018 -11.693 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.523 -0.489 -10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.061 0.326 -9.768 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.652 1.060 -12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.144 0.281 -12.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.469 2.639 -12.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.368 1.744 -11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.923 2.499 -10.640 1.00 0.00 H new ATOM 833 N HIS A 62 -7.181 0.503 -8.547 1.00 0.00 N ATOM 834 CA HIS A 62 -7.380 1.658 -7.678 1.00 0.00 C ATOM 835 C HIS A 62 -8.772 2.252 -7.873 1.00 0.00 C ATOM 836 O HIS A 62 -8.916 3.381 -8.342 1.00 0.00 O ATOM 837 CB HIS A 62 -6.316 2.720 -7.955 1.00 0.00 C ATOM 838 CG HIS A 62 -6.594 4.034 -7.291 1.00 0.00 C ATOM 839 ND1 HIS A 62 -6.886 5.185 -7.992 1.00 0.00 N ATOM 840 CD2 HIS A 62 -6.626 4.374 -5.981 1.00 0.00 C ATOM 841 CE1 HIS A 62 -7.083 6.177 -7.142 1.00 0.00 C ATOM 842 NE2 HIS A 62 -6.931 5.711 -5.915 1.00 0.00 N ATOM 0 H HIS A 62 -6.971 0.737 -9.517 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.289 1.324 -6.644 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -5.348 2.349 -7.618 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -6.241 2.875 -9.031 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.445 3.716 -5.144 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -7.327 7.196 -7.405 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.025 6.256 -5.058 1.00 0.00 H new ATOM 850 N VAL A 63 -9.794 1.483 -7.512 1.00 0.00 N ATOM 851 CA VAL A 63 -11.174 1.932 -7.647 1.00 0.00 C ATOM 852 C VAL A 63 -11.298 3.423 -7.353 1.00 0.00 C ATOM 853 O VAL A 63 -12.150 4.109 -7.916 1.00 0.00 O ATOM 854 CB VAL A 63 -12.113 1.155 -6.705 1.00 0.00 C ATOM 855 CG1 VAL A 63 -12.529 -0.165 -7.335 1.00 0.00 C ATOM 856 CG2 VAL A 63 -11.444 0.925 -5.358 1.00 0.00 C ATOM 0 H VAL A 63 -9.692 0.545 -7.124 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.468 1.742 -8.679 1.00 0.00 H new ATOM 0 HB VAL A 63 -13.011 1.751 -6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -13.192 -0.700 -6.655 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -13.050 0.028 -8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.644 -0.770 -7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -12.121 0.375 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -10.529 0.350 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.202 1.886 -4.903 1.00 0.00 H new ATOM 866 N GLY A 64 -10.440 3.919 -6.466 1.00 0.00 N ATOM 867 CA GLY A 64 -10.469 5.326 -6.112 1.00 0.00 C ATOM 868 C GLY A 64 -10.802 5.550 -4.651 1.00 0.00 C ATOM 869 O GLY A 64 -10.794 4.612 -3.855 1.00 0.00 O ATOM 0 H GLY A 64 -9.726 3.371 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.500 5.773 -6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.205 5.838 -6.732 1.00 0.00 H new ATOM 873 N ASN A 65 -11.094 6.797 -4.296 1.00 0.00 N ATOM 874 CA ASN A 65 -11.429 7.142 -2.919 1.00 0.00 C ATOM 875 C ASN A 65 -10.474 6.464 -1.941 1.00 0.00 C ATOM 876 O ASN A 65 -10.875 6.052 -0.853 1.00 0.00 O ATOM 877 CB ASN A 65 -12.871 6.736 -2.606 1.00 0.00 C ATOM 878 CG ASN A 65 -13.883 7.707 -3.182 1.00 0.00 C ATOM 879 OD1 ASN A 65 -13.557 8.521 -4.046 1.00 0.00 O ATOM 880 ND2 ASN A 65 -15.119 7.626 -2.703 1.00 0.00 N ATOM 0 H ASN A 65 -11.105 7.586 -4.943 1.00 0.00 H new ATOM 0 HA ASN A 65 -11.330 8.222 -2.806 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.060 5.739 -3.005 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.003 6.677 -1.526 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.843 8.254 -3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.344 6.935 -1.987 1.00 0.00 H new ATOM 887 N GLN A 66 -9.211 6.353 -2.337 1.00 0.00 N ATOM 888 CA GLN A 66 -8.199 5.725 -1.495 1.00 0.00 C ATOM 889 C GLN A 66 -8.515 4.250 -1.274 1.00 0.00 C ATOM 890 O GLN A 66 -8.273 3.709 -0.195 1.00 0.00 O ATOM 891 CB GLN A 66 -8.106 6.447 -0.150 1.00 0.00 C ATOM 892 CG GLN A 66 -7.961 7.955 -0.277 1.00 0.00 C ATOM 893 CD GLN A 66 -6.537 8.381 -0.575 1.00 0.00 C ATOM 894 OE1 GLN A 66 -5.582 7.805 -0.054 1.00 0.00 O ATOM 895 NE2 GLN A 66 -6.388 9.397 -1.418 1.00 0.00 N ATOM 0 H GLN A 66 -8.863 6.689 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.239 5.799 -2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.998 6.224 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.255 6.054 0.406 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.617 8.314 -1.070 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -8.291 8.427 0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -7.208 9.845 -1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.453 9.729 -1.657 1.00 0.00 H new ATOM 904 N GLN A 67 -9.056 3.604 -2.302 1.00 0.00 N ATOM 905 CA GLN A 67 -9.405 2.191 -2.218 1.00 0.00 C ATOM 906 C GLN A 67 -8.623 1.376 -3.242 1.00 0.00 C ATOM 907 O GLN A 67 -8.422 1.812 -4.376 1.00 0.00 O ATOM 908 CB GLN A 67 -10.907 2.002 -2.437 1.00 0.00 C ATOM 909 CG GLN A 67 -11.764 2.624 -1.347 1.00 0.00 C ATOM 910 CD GLN A 67 -13.247 2.415 -1.580 1.00 0.00 C ATOM 911 OE1 GLN A 67 -13.933 1.790 -0.770 1.00 0.00 O ATOM 912 NE2 GLN A 67 -13.752 2.939 -2.691 1.00 0.00 N ATOM 0 H GLN A 67 -9.262 4.037 -3.202 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.143 1.836 -1.221 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.183 2.437 -3.397 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.126 0.936 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.488 2.195 -0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.556 3.693 -1.292 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -13.147 3.449 -3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -14.744 2.831 -2.900 1.00 0.00 H new ATOM 921 N TYR A 68 -8.184 0.190 -2.836 1.00 0.00 N ATOM 922 CA TYR A 68 -7.421 -0.686 -3.717 1.00 0.00 C ATOM 923 C TYR A 68 -8.040 -2.080 -3.769 1.00 0.00 C ATOM 924 O TYR A 68 -8.025 -2.814 -2.782 1.00 0.00 O ATOM 925 CB TYR A 68 -5.968 -0.778 -3.248 1.00 0.00 C ATOM 926 CG TYR A 68 -5.170 0.481 -3.501 1.00 0.00 C ATOM 927 CD1 TYR A 68 -4.600 0.727 -4.744 1.00 0.00 C ATOM 928 CD2 TYR A 68 -4.986 1.424 -2.498 1.00 0.00 C ATOM 929 CE1 TYR A 68 -3.869 1.876 -4.980 1.00 0.00 C ATOM 930 CE2 TYR A 68 -4.258 2.576 -2.725 1.00 0.00 C ATOM 931 CZ TYR A 68 -3.701 2.797 -3.967 1.00 0.00 C ATOM 932 OH TYR A 68 -2.975 3.943 -4.198 1.00 0.00 O ATOM 0 H TYR A 68 -8.344 -0.187 -1.902 1.00 0.00 H new ATOM 0 HA TYR A 68 -7.445 -0.260 -4.720 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.953 -1.000 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.484 -1.613 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -4.730 0.008 -5.539 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.420 1.254 -1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -3.432 2.052 -5.952 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.126 3.299 -1.934 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.953 4.486 -3.383 1.00 0.00 H new ATOM 942 N ASN A 69 -8.582 -2.437 -4.928 1.00 0.00 N ATOM 943 CA ASN A 69 -9.206 -3.743 -5.110 1.00 0.00 C ATOM 944 C ASN A 69 -8.175 -4.784 -5.538 1.00 0.00 C ATOM 945 O ASN A 69 -7.594 -4.689 -6.619 1.00 0.00 O ATOM 946 CB ASN A 69 -10.323 -3.657 -6.152 1.00 0.00 C ATOM 947 CG ASN A 69 -11.433 -4.657 -5.893 1.00 0.00 C ATOM 948 OD1 ASN A 69 -11.060 -5.857 -5.464 1.00 0.00 O flip ATOM 949 ND2 ASN A 69 -12.612 -4.354 -6.077 1.00 0.00 N flip ATOM 0 H ASN A 69 -8.602 -1.841 -5.755 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.632 -4.051 -4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.738 -2.649 -6.153 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.905 -3.831 -7.144 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.853 -3.420 -6.408 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.348 -5.037 -5.899 1.00 0.00 H new ATOM 956 N VAL A 70 -7.955 -5.777 -4.682 1.00 0.00 N ATOM 957 CA VAL A 70 -6.996 -6.836 -4.972 1.00 0.00 C ATOM 958 C VAL A 70 -7.657 -8.208 -4.904 1.00 0.00 C ATOM 959 O VAL A 70 -8.311 -8.548 -3.917 1.00 0.00 O ATOM 960 CB VAL A 70 -5.808 -6.802 -3.991 1.00 0.00 C ATOM 961 CG1 VAL A 70 -4.807 -7.897 -4.326 1.00 0.00 C ATOM 962 CG2 VAL A 70 -5.141 -5.435 -4.011 1.00 0.00 C ATOM 0 H VAL A 70 -8.428 -5.870 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.628 -6.662 -5.983 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.185 -6.983 -2.984 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.975 -7.857 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.295 -8.869 -4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.433 -7.750 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.304 -5.428 -3.313 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.777 -5.223 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.864 -4.673 -3.719 1.00 0.00 H new ATOM 972 N THR A 71 -7.481 -8.996 -5.961 1.00 0.00 N ATOM 973 CA THR A 71 -8.061 -10.332 -6.023 1.00 0.00 C ATOM 974 C THR A 71 -7.064 -11.338 -6.588 1.00 0.00 C ATOM 975 O THR A 71 -6.291 -11.020 -7.492 1.00 0.00 O ATOM 976 CB THR A 71 -9.337 -10.351 -6.884 1.00 0.00 C ATOM 977 OG1 THR A 71 -9.987 -9.077 -6.827 1.00 0.00 O ATOM 978 CG2 THR A 71 -10.294 -11.435 -6.410 1.00 0.00 C ATOM 0 H THR A 71 -6.942 -8.732 -6.785 1.00 0.00 H new ATOM 0 HA THR A 71 -8.317 -10.613 -5.002 1.00 0.00 H new ATOM 0 HB THR A 71 -9.050 -10.566 -7.913 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.797 -9.098 -7.379 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.188 -11.429 -7.033 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.807 -12.407 -6.483 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.573 -11.246 -5.373 1.00 0.00 H new ATOM 986 N TYR A 72 -7.088 -12.553 -6.051 1.00 0.00 N ATOM 987 CA TYR A 72 -6.185 -13.605 -6.501 1.00 0.00 C ATOM 988 C TYR A 72 -6.908 -14.946 -6.581 1.00 0.00 C ATOM 989 O TYR A 72 -8.075 -15.059 -6.206 1.00 0.00 O ATOM 990 CB TYR A 72 -4.986 -13.715 -5.558 1.00 0.00 C ATOM 991 CG TYR A 72 -5.367 -14.018 -4.127 1.00 0.00 C ATOM 992 CD1 TYR A 72 -5.849 -15.270 -3.766 1.00 0.00 C ATOM 993 CD2 TYR A 72 -5.245 -13.053 -3.135 1.00 0.00 C ATOM 994 CE1 TYR A 72 -6.199 -15.552 -2.460 1.00 0.00 C ATOM 995 CE2 TYR A 72 -5.591 -13.325 -1.826 1.00 0.00 C ATOM 996 CZ TYR A 72 -6.068 -14.576 -1.493 1.00 0.00 C ATOM 997 OH TYR A 72 -6.415 -14.852 -0.191 1.00 0.00 O ATOM 0 H TYR A 72 -7.723 -12.833 -5.304 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.831 -13.343 -7.498 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.319 -14.497 -5.921 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.426 -12.781 -5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.952 -16.036 -4.520 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.873 -12.072 -3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.573 -16.530 -2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.489 -12.563 -1.068 1.00 0.00 H new ATOM 0 HH TYR A 72 -6.633 -14.017 0.273 1.00 0.00 H new ATOM 1007 N VAL A 73 -6.205 -15.962 -7.072 1.00 0.00 N ATOM 1008 CA VAL A 73 -6.778 -17.297 -7.201 1.00 0.00 C ATOM 1009 C VAL A 73 -5.778 -18.366 -6.775 1.00 0.00 C ATOM 1010 O VAL A 73 -4.615 -18.340 -7.178 1.00 0.00 O ATOM 1011 CB VAL A 73 -7.230 -17.577 -8.646 1.00 0.00 C ATOM 1012 CG1 VAL A 73 -7.766 -18.995 -8.772 1.00 0.00 C ATOM 1013 CG2 VAL A 73 -8.275 -16.562 -9.084 1.00 0.00 C ATOM 0 H VAL A 73 -5.238 -15.886 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.647 -17.334 -6.544 1.00 0.00 H new ATOM 0 HB VAL A 73 -6.366 -17.481 -9.304 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -8.081 -19.175 -9.800 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -6.984 -19.705 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.618 -19.123 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.583 -16.775 -10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.141 -16.623 -8.425 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.851 -15.559 -9.034 1.00 0.00 H new ATOM 1023 N VAL A 74 -6.239 -19.308 -5.958 1.00 0.00 N ATOM 1024 CA VAL A 74 -5.386 -20.389 -5.479 1.00 0.00 C ATOM 1025 C VAL A 74 -5.855 -21.737 -6.015 1.00 0.00 C ATOM 1026 O VAL A 74 -6.973 -22.172 -5.741 1.00 0.00 O ATOM 1027 CB VAL A 74 -5.359 -20.442 -3.940 1.00 0.00 C ATOM 1028 CG1 VAL A 74 -4.753 -19.167 -3.372 1.00 0.00 C ATOM 1029 CG2 VAL A 74 -6.759 -20.667 -3.390 1.00 0.00 C ATOM 0 H VAL A 74 -7.199 -19.344 -5.614 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.380 -20.185 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.734 -21.281 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -4.742 -19.223 -2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.733 -19.054 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.349 -18.310 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.721 -20.702 -2.301 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -7.409 -19.851 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.152 -21.610 -3.770 1.00 0.00 H new ATOM 1039 N LYS A 75 -4.991 -22.396 -6.780 1.00 0.00 N ATOM 1040 CA LYS A 75 -5.314 -23.696 -7.354 1.00 0.00 C ATOM 1041 C LYS A 75 -4.905 -24.824 -6.412 1.00 0.00 C ATOM 1042 O LYS A 75 -4.706 -25.960 -6.839 1.00 0.00 O ATOM 1043 CB LYS A 75 -4.615 -23.868 -8.705 1.00 0.00 C ATOM 1044 CG LYS A 75 -5.378 -24.752 -9.676 1.00 0.00 C ATOM 1045 CD LYS A 75 -6.560 -24.019 -10.287 1.00 0.00 C ATOM 1046 CE LYS A 75 -7.621 -24.989 -10.785 1.00 0.00 C ATOM 1047 NZ LYS A 75 -7.203 -25.671 -12.041 1.00 0.00 N ATOM 0 H LYS A 75 -4.061 -22.050 -7.017 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.393 -23.742 -7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.470 -22.887 -9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.625 -24.293 -8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.708 -25.087 -10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.730 -25.644 -9.158 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -6.997 -23.350 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.216 -23.398 -11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.821 -25.735 -10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.553 -24.451 -10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.953 -26.323 -12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.037 -24.961 -12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.327 -26.206 -11.871 1.00 0.00 H new ATOM 1061 N GLU A 76 -4.782 -24.501 -5.128 1.00 0.00 N ATOM 1062 CA GLU A 76 -4.397 -25.488 -4.126 1.00 0.00 C ATOM 1063 C GLU A 76 -4.890 -25.078 -2.741 1.00 0.00 C ATOM 1064 O GLU A 76 -5.303 -23.938 -2.530 1.00 0.00 O ATOM 1065 CB GLU A 76 -2.877 -25.662 -4.107 1.00 0.00 C ATOM 1066 CG GLU A 76 -2.416 -26.903 -3.362 1.00 0.00 C ATOM 1067 CD GLU A 76 -1.094 -27.437 -3.880 1.00 0.00 C ATOM 1068 OE1 GLU A 76 -0.923 -27.502 -5.115 1.00 0.00 O ATOM 1069 OE2 GLU A 76 -0.231 -27.789 -3.049 1.00 0.00 O ATOM 0 H GLU A 76 -4.943 -23.564 -4.758 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.861 -26.438 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.512 -25.708 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.425 -24.783 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.319 -26.671 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.177 -27.679 -3.450 1.00 0.00 H new ATOM 1076 N ARG A 77 -4.844 -26.017 -1.802 1.00 0.00 N ATOM 1077 CA ARG A 77 -5.288 -25.755 -0.438 1.00 0.00 C ATOM 1078 C ARG A 77 -4.158 -25.999 0.558 1.00 0.00 C ATOM 1079 O ARG A 77 -3.380 -26.941 0.411 1.00 0.00 O ATOM 1080 CB ARG A 77 -6.488 -26.639 -0.091 1.00 0.00 C ATOM 1081 CG ARG A 77 -6.211 -28.126 -0.235 1.00 0.00 C ATOM 1082 CD ARG A 77 -6.533 -28.619 -1.637 1.00 0.00 C ATOM 1083 NE ARG A 77 -6.031 -29.971 -1.871 1.00 0.00 N ATOM 1084 CZ ARG A 77 -6.641 -31.067 -1.434 1.00 0.00 C ATOM 1085 NH1 ARG A 77 -7.769 -30.972 -0.744 1.00 0.00 N ATOM 1086 NH2 ARG A 77 -6.122 -32.262 -1.687 1.00 0.00 N ATOM 0 H ARG A 77 -4.504 -26.966 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.586 -24.708 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.796 -26.433 0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.325 -26.370 -0.735 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -5.163 -28.326 -0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -6.805 -28.680 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.612 -28.602 -1.788 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.098 -27.939 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.165 -30.079 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -8.171 -30.055 -0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.235 -31.816 -0.410 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.254 -32.339 -2.217 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.591 -33.103 -1.351 1.00 0.00 H new ATOM 1100 N GLY A 78 -4.074 -25.143 1.572 1.00 0.00 N ATOM 1101 CA GLY A 78 -3.036 -25.282 2.576 1.00 0.00 C ATOM 1102 C GLY A 78 -2.771 -23.988 3.320 1.00 0.00 C ATOM 1103 O GLY A 78 -3.558 -23.045 3.238 1.00 0.00 O ATOM 0 H GLY A 78 -4.707 -24.356 1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -3.325 -26.054 3.289 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.116 -25.618 2.098 1.00 0.00 H new ATOM 1107 N ASP A 79 -1.662 -23.943 4.049 1.00 0.00 N ATOM 1108 CA ASP A 79 -1.296 -22.755 4.812 1.00 0.00 C ATOM 1109 C ASP A 79 -0.705 -21.684 3.899 1.00 0.00 C ATOM 1110 O ASP A 79 0.478 -21.727 3.560 1.00 0.00 O ATOM 1111 CB ASP A 79 -0.295 -23.116 5.910 1.00 0.00 C ATOM 1112 CG ASP A 79 -0.697 -24.363 6.673 1.00 0.00 C ATOM 1113 OD1 ASP A 79 -0.698 -25.455 6.067 1.00 0.00 O ATOM 1114 OD2 ASP A 79 -1.010 -24.246 7.876 1.00 0.00 O ATOM 0 H ASP A 79 -1.000 -24.715 4.128 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.200 -22.356 5.273 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.689 -23.267 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -0.206 -22.281 6.605 1.00 0.00 H new ATOM 1119 N TYR A 80 -1.536 -20.726 3.505 1.00 0.00 N ATOM 1120 CA TYR A 80 -1.097 -19.646 2.629 1.00 0.00 C ATOM 1121 C TYR A 80 -0.570 -18.467 3.440 1.00 0.00 C ATOM 1122 O TYR A 80 -0.773 -18.392 4.652 1.00 0.00 O ATOM 1123 CB TYR A 80 -2.248 -19.189 1.732 1.00 0.00 C ATOM 1124 CG TYR A 80 -2.392 -20.005 0.467 1.00 0.00 C ATOM 1125 CD1 TYR A 80 -3.152 -21.168 0.450 1.00 0.00 C ATOM 1126 CD2 TYR A 80 -1.767 -19.614 -0.710 1.00 0.00 C ATOM 1127 CE1 TYR A 80 -3.285 -21.917 -0.703 1.00 0.00 C ATOM 1128 CE2 TYR A 80 -1.896 -20.356 -1.868 1.00 0.00 C ATOM 1129 CZ TYR A 80 -2.656 -21.507 -1.859 1.00 0.00 C ATOM 1130 OH TYR A 80 -2.786 -22.250 -3.011 1.00 0.00 O ATOM 0 H TYR A 80 -2.517 -20.675 3.778 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.288 -20.025 2.005 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -3.179 -19.241 2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.096 -18.143 1.464 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -3.647 -21.492 1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -1.170 -18.714 -0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -3.879 -22.819 -0.699 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.405 -20.037 -2.775 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.602 -22.791 -2.961 1.00 0.00 H new ATOM 1140 N VAL A 81 0.108 -17.546 2.762 1.00 0.00 N ATOM 1141 CA VAL A 81 0.664 -16.368 3.418 1.00 0.00 C ATOM 1142 C VAL A 81 0.444 -15.116 2.576 1.00 0.00 C ATOM 1143 O VAL A 81 0.870 -15.048 1.422 1.00 0.00 O ATOM 1144 CB VAL A 81 2.171 -16.535 3.687 1.00 0.00 C ATOM 1145 CG1 VAL A 81 2.737 -15.285 4.344 1.00 0.00 C ATOM 1146 CG2 VAL A 81 2.425 -17.762 4.549 1.00 0.00 C ATOM 0 H VAL A 81 0.285 -17.593 1.759 1.00 0.00 H new ATOM 0 HA VAL A 81 0.143 -16.259 4.369 1.00 0.00 H new ATOM 0 HB VAL A 81 2.680 -16.678 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.803 -15.421 4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.588 -14.429 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.226 -15.108 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.495 -17.865 4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.906 -17.652 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.057 -18.650 4.035 1.00 0.00 H new ATOM 1156 N LEU A 82 -0.223 -14.127 3.161 1.00 0.00 N ATOM 1157 CA LEU A 82 -0.499 -12.875 2.465 1.00 0.00 C ATOM 1158 C LEU A 82 0.404 -11.757 2.977 1.00 0.00 C ATOM 1159 O LEU A 82 0.422 -11.458 4.171 1.00 0.00 O ATOM 1160 CB LEU A 82 -1.967 -12.483 2.643 1.00 0.00 C ATOM 1161 CG LEU A 82 -2.365 -11.109 2.102 1.00 0.00 C ATOM 1162 CD1 LEU A 82 -2.121 -11.035 0.603 1.00 0.00 C ATOM 1163 CD2 LEU A 82 -3.823 -10.812 2.422 1.00 0.00 C ATOM 0 H LEU A 82 -0.582 -14.168 4.115 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.295 -13.024 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.585 -13.236 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.205 -12.515 3.706 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.746 -10.355 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.410 -10.050 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.064 -11.203 0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.714 -11.798 0.100 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.089 -9.830 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.458 -11.570 1.964 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.968 -10.822 3.502 1.00 0.00 H new ATOM 1175 N ALA A 83 1.150 -11.141 2.066 1.00 0.00 N ATOM 1176 CA ALA A 83 2.051 -10.053 2.424 1.00 0.00 C ATOM 1177 C ALA A 83 1.588 -8.734 1.817 1.00 0.00 C ATOM 1178 O ALA A 83 1.705 -8.519 0.610 1.00 0.00 O ATOM 1179 CB ALA A 83 3.470 -10.374 1.976 1.00 0.00 C ATOM 0 H ALA A 83 1.148 -11.377 1.074 1.00 0.00 H new ATOM 0 HA ALA A 83 2.039 -9.947 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.132 -9.553 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 83 3.807 -11.290 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.488 -10.510 0.895 1.00 0.00 H new ATOM 1185 N VAL A 84 1.061 -7.852 2.660 1.00 0.00 N ATOM 1186 CA VAL A 84 0.580 -6.552 2.206 1.00 0.00 C ATOM 1187 C VAL A 84 1.450 -5.424 2.750 1.00 0.00 C ATOM 1188 O VAL A 84 1.618 -5.283 3.961 1.00 0.00 O ATOM 1189 CB VAL A 84 -0.879 -6.313 2.635 1.00 0.00 C ATOM 1190 CG1 VAL A 84 -1.385 -4.986 2.090 1.00 0.00 C ATOM 1191 CG2 VAL A 84 -1.765 -7.461 2.173 1.00 0.00 C ATOM 0 H VAL A 84 0.956 -8.014 3.662 1.00 0.00 H new ATOM 0 HA VAL A 84 0.635 -6.556 1.117 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.917 -6.270 3.723 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.418 -4.834 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.766 -4.175 2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.334 -4.997 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.793 -7.276 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.724 -7.538 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.414 -8.393 2.616 1.00 0.00 H new ATOM 1201 N LYS A 85 2.000 -4.621 1.846 1.00 0.00 N ATOM 1202 CA LYS A 85 2.852 -3.502 2.233 1.00 0.00 C ATOM 1203 C LYS A 85 2.173 -2.171 1.929 1.00 0.00 C ATOM 1204 O LYS A 85 1.312 -2.089 1.053 1.00 0.00 O ATOM 1205 CB LYS A 85 4.195 -3.581 1.504 1.00 0.00 C ATOM 1206 CG LYS A 85 5.140 -4.621 2.080 1.00 0.00 C ATOM 1207 CD LYS A 85 6.491 -4.592 1.385 1.00 0.00 C ATOM 1208 CE LYS A 85 7.410 -3.546 1.997 1.00 0.00 C ATOM 1209 NZ LYS A 85 8.821 -3.720 1.554 1.00 0.00 N ATOM 0 H LYS A 85 1.871 -4.724 0.839 1.00 0.00 H new ATOM 0 HA LYS A 85 3.025 -3.564 3.307 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.016 -3.808 0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.677 -2.604 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.274 -4.441 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.698 -5.612 1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.958 -5.574 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.352 -4.380 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.063 -2.551 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.360 -3.610 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.415 -2.988 1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.161 -4.660 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.873 -3.634 0.519 1.00 0.00 H new ATOM 1223 N TRP A 86 2.567 -1.131 2.655 1.00 0.00 N ATOM 1224 CA TRP A 86 1.997 0.197 2.461 1.00 0.00 C ATOM 1225 C TRP A 86 3.093 1.232 2.231 1.00 0.00 C ATOM 1226 O TRP A 86 3.533 1.901 3.165 1.00 0.00 O ATOM 1227 CB TRP A 86 1.150 0.593 3.672 1.00 0.00 C ATOM 1228 CG TRP A 86 0.665 2.010 3.619 1.00 0.00 C ATOM 1229 CD1 TRP A 86 0.843 2.973 4.571 1.00 0.00 C ATOM 1230 CD2 TRP A 86 -0.081 2.622 2.561 1.00 0.00 C ATOM 1231 NE1 TRP A 86 0.254 4.147 4.168 1.00 0.00 N ATOM 1232 CE2 TRP A 86 -0.319 3.958 2.938 1.00 0.00 C ATOM 1233 CE3 TRP A 86 -0.568 2.172 1.331 1.00 0.00 C ATOM 1234 CZ2 TRP A 86 -1.024 4.845 2.129 1.00 0.00 C ATOM 1235 CZ3 TRP A 86 -1.268 3.053 0.529 1.00 0.00 C ATOM 1236 CH2 TRP A 86 -1.490 4.378 0.930 1.00 0.00 C ATOM 0 H TRP A 86 3.279 -1.182 3.384 1.00 0.00 H new ATOM 0 HA TRP A 86 1.361 0.166 1.576 1.00 0.00 H new ATOM 0 HB2 TRP A 86 0.291 -0.075 3.740 1.00 0.00 H new ATOM 0 HB3 TRP A 86 1.737 0.451 4.579 1.00 0.00 H new ATOM 0 HD1 TRP A 86 1.369 2.832 5.503 1.00 0.00 H new ATOM 0 HE1 TRP A 86 0.245 5.018 4.699 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -0.400 1.154 1.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -1.197 5.866 2.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -1.651 2.715 -0.423 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -2.039 5.043 0.280 1.00 0.00 H new ATOM 1247 N GLY A 87 3.530 1.357 0.982 1.00 0.00 N ATOM 1248 CA GLY A 87 4.571 2.313 0.653 1.00 0.00 C ATOM 1249 C GLY A 87 5.775 2.196 1.566 1.00 0.00 C ATOM 1250 O GLY A 87 5.945 2.997 2.484 1.00 0.00 O ATOM 0 H GLY A 87 3.182 0.814 0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.886 2.162 -0.380 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.166 3.323 0.718 1.00 0.00 H new ATOM 1254 N GLU A 88 6.612 1.194 1.314 1.00 0.00 N ATOM 1255 CA GLU A 88 7.805 0.974 2.123 1.00 0.00 C ATOM 1256 C GLU A 88 7.432 0.676 3.573 1.00 0.00 C ATOM 1257 O GLU A 88 8.080 1.157 4.502 1.00 0.00 O ATOM 1258 CB GLU A 88 8.722 2.197 2.062 1.00 0.00 C ATOM 1259 CG GLU A 88 9.488 2.318 0.756 1.00 0.00 C ATOM 1260 CD GLU A 88 10.792 3.076 0.913 1.00 0.00 C ATOM 1261 OE1 GLU A 88 10.814 4.072 1.665 1.00 0.00 O ATOM 1262 OE2 GLU A 88 11.792 2.672 0.282 1.00 0.00 O ATOM 0 H GLU A 88 6.486 0.522 0.557 1.00 0.00 H new ATOM 0 HA GLU A 88 8.334 0.112 1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.124 3.097 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.433 2.150 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.696 1.321 0.367 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.864 2.824 0.019 1.00 0.00 H new ATOM 1269 N GLU A 89 6.382 -0.119 3.756 1.00 0.00 N ATOM 1270 CA GLU A 89 5.922 -0.479 5.092 1.00 0.00 C ATOM 1271 C GLU A 89 5.064 -1.740 5.051 1.00 0.00 C ATOM 1272 O GLU A 89 4.770 -2.269 3.978 1.00 0.00 O ATOM 1273 CB GLU A 89 5.126 0.673 5.710 1.00 0.00 C ATOM 1274 CG GLU A 89 5.988 1.853 6.127 1.00 0.00 C ATOM 1275 CD GLU A 89 5.403 2.616 7.300 1.00 0.00 C ATOM 1276 OE1 GLU A 89 4.201 2.947 7.253 1.00 0.00 O ATOM 1277 OE2 GLU A 89 6.150 2.880 8.266 1.00 0.00 O ATOM 0 H GLU A 89 5.835 -0.525 2.997 1.00 0.00 H new ATOM 0 HA GLU A 89 6.799 -0.677 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.380 1.014 4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.585 0.303 6.581 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.984 1.496 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.106 2.529 5.280 1.00 0.00 H new ATOM 1284 N HIS A 90 4.665 -2.216 6.226 1.00 0.00 N ATOM 1285 CA HIS A 90 3.840 -3.415 6.324 1.00 0.00 C ATOM 1286 C HIS A 90 2.624 -3.167 7.212 1.00 0.00 C ATOM 1287 O HIS A 90 2.761 -2.878 8.401 1.00 0.00 O ATOM 1288 CB HIS A 90 4.660 -4.580 6.878 1.00 0.00 C ATOM 1289 CG HIS A 90 5.512 -5.257 5.848 1.00 0.00 C ATOM 1290 ND1 HIS A 90 5.358 -6.581 5.496 1.00 0.00 N ATOM 1291 CD2 HIS A 90 6.529 -4.784 5.090 1.00 0.00 C ATOM 1292 CE1 HIS A 90 6.245 -6.894 4.568 1.00 0.00 C ATOM 1293 NE2 HIS A 90 6.967 -5.820 4.304 1.00 0.00 N ATOM 0 H HIS A 90 4.899 -1.790 7.123 1.00 0.00 H new ATOM 0 HA HIS A 90 3.492 -3.669 5.323 1.00 0.00 H new ATOM 0 HB2 HIS A 90 5.298 -4.214 7.682 1.00 0.00 H new ATOM 0 HB3 HIS A 90 3.983 -5.313 7.317 1.00 0.00 H new ATOM 0 HD2 HIS A 90 6.922 -3.778 5.102 1.00 0.00 H new ATOM 0 HE1 HIS A 90 6.360 -7.863 4.104 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.727 -5.769 3.626 1.00 0.00 H new ATOM 1301 N ILE A 91 1.437 -3.280 6.626 1.00 0.00 N ATOM 1302 CA ILE A 91 0.198 -3.068 7.364 1.00 0.00 C ATOM 1303 C ILE A 91 0.165 -3.909 8.636 1.00 0.00 C ATOM 1304 O ILE A 91 0.759 -4.984 8.714 1.00 0.00 O ATOM 1305 CB ILE A 91 -1.034 -3.408 6.505 1.00 0.00 C ATOM 1306 CG1 ILE A 91 -1.068 -4.905 6.192 1.00 0.00 C ATOM 1307 CG2 ILE A 91 -1.025 -2.592 5.221 1.00 0.00 C ATOM 1308 CD1 ILE A 91 -2.462 -5.441 5.950 1.00 0.00 C ATOM 0 H ILE A 91 1.307 -3.517 5.642 1.00 0.00 H new ATOM 0 HA ILE A 91 0.165 -2.011 7.629 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.932 -3.154 7.068 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.456 -5.098 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.616 -5.451 7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.902 -2.843 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -1.044 -1.530 5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.123 -2.818 4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.409 -6.508 5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.073 -5.280 6.838 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.910 -4.921 5.103 1.00 0.00 H new ATOM 1320 N PRO A 92 -0.549 -3.411 9.656 1.00 0.00 N ATOM 1321 CA PRO A 92 -0.679 -4.102 10.943 1.00 0.00 C ATOM 1322 C PRO A 92 -1.527 -5.365 10.839 1.00 0.00 C ATOM 1323 O PRO A 92 -2.754 -5.299 10.793 1.00 0.00 O ATOM 1324 CB PRO A 92 -1.370 -3.066 11.833 1.00 0.00 C ATOM 1325 CG PRO A 92 -2.113 -2.187 10.886 1.00 0.00 C ATOM 1326 CD PRO A 92 -1.284 -2.135 9.633 1.00 0.00 C ATOM 0 HA PRO A 92 0.285 -4.437 11.325 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.045 -3.542 12.544 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.645 -2.497 12.415 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.106 -2.586 10.681 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.250 -1.190 11.305 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.907 -2.046 8.743 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.607 -1.281 9.635 1.00 0.00 H new ATOM 1334 N GLY A 93 -0.863 -6.516 10.803 1.00 0.00 N ATOM 1335 CA GLY A 93 -1.572 -7.779 10.705 1.00 0.00 C ATOM 1336 C GLY A 93 -0.870 -8.769 9.798 1.00 0.00 C ATOM 1337 O GLY A 93 -1.155 -9.966 9.836 1.00 0.00 O ATOM 0 H GLY A 93 0.153 -6.597 10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.675 -8.212 11.700 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.579 -7.598 10.330 1.00 0.00 H new ATOM 1341 N SER A 94 0.050 -8.270 8.979 1.00 0.00 N ATOM 1342 CA SER A 94 0.792 -9.119 8.053 1.00 0.00 C ATOM 1343 C SER A 94 2.127 -9.544 8.657 1.00 0.00 C ATOM 1344 O SER A 94 2.707 -8.852 9.494 1.00 0.00 O ATOM 1345 CB SER A 94 1.026 -8.386 6.732 1.00 0.00 C ATOM 1346 OG SER A 94 2.232 -8.810 6.120 1.00 0.00 O ATOM 0 H SER A 94 0.300 -7.282 8.937 1.00 0.00 H new ATOM 0 HA SER A 94 0.198 -10.013 7.863 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.189 -8.568 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.063 -7.311 6.910 1.00 0.00 H new ATOM 0 HG SER A 94 2.358 -8.328 5.276 1.00 0.00 H new ATOM 1352 N PRO A 95 2.627 -10.710 8.222 1.00 0.00 N ATOM 1353 CA PRO A 95 1.945 -11.542 7.227 1.00 0.00 C ATOM 1354 C PRO A 95 0.675 -12.180 7.777 1.00 0.00 C ATOM 1355 O PRO A 95 0.648 -12.654 8.914 1.00 0.00 O ATOM 1356 CB PRO A 95 2.982 -12.618 6.893 1.00 0.00 C ATOM 1357 CG PRO A 95 3.848 -12.698 8.103 1.00 0.00 C ATOM 1358 CD PRO A 95 3.897 -11.306 8.670 1.00 0.00 C ATOM 0 HA PRO A 95 1.620 -10.961 6.364 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.505 -13.576 6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.561 -12.349 6.009 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.440 -13.401 8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.847 -13.050 7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.974 -11.317 9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.756 -10.750 8.295 1.00 0.00 H new ATOM 1366 N PHE A 96 -0.377 -12.190 6.965 1.00 0.00 N ATOM 1367 CA PHE A 96 -1.652 -12.771 7.371 1.00 0.00 C ATOM 1368 C PHE A 96 -1.685 -14.268 7.081 1.00 0.00 C ATOM 1369 O PHE A 96 -1.112 -14.734 6.096 1.00 0.00 O ATOM 1370 CB PHE A 96 -2.807 -12.074 6.649 1.00 0.00 C ATOM 1371 CG PHE A 96 -3.090 -10.692 7.164 1.00 0.00 C ATOM 1372 CD1 PHE A 96 -2.224 -9.645 6.890 1.00 0.00 C ATOM 1373 CD2 PHE A 96 -4.221 -10.439 7.922 1.00 0.00 C ATOM 1374 CE1 PHE A 96 -2.481 -8.373 7.364 1.00 0.00 C ATOM 1375 CE2 PHE A 96 -4.485 -9.168 8.399 1.00 0.00 C ATOM 1376 CZ PHE A 96 -3.614 -8.134 8.118 1.00 0.00 C ATOM 0 H PHE A 96 -0.372 -11.802 6.022 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.763 -12.625 8.445 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -2.578 -12.016 5.585 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.707 -12.681 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.338 -9.826 6.299 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.906 -11.244 8.143 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -1.797 -7.566 7.145 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -5.370 -8.985 8.990 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.818 -7.140 8.487 1.00 0.00 H new ATOM 1386 N HIS A 97 -2.359 -15.018 7.948 1.00 0.00 N ATOM 1387 CA HIS A 97 -2.468 -16.463 7.785 1.00 0.00 C ATOM 1388 C HIS A 97 -3.775 -16.836 7.093 1.00 0.00 C ATOM 1389 O HIS A 97 -4.852 -16.731 7.680 1.00 0.00 O ATOM 1390 CB HIS A 97 -2.381 -17.158 9.144 1.00 0.00 C ATOM 1391 CG HIS A 97 -2.586 -18.640 9.073 1.00 0.00 C ATOM 1392 ND1 HIS A 97 -1.998 -19.579 8.296 1.00 0.00 N flip ATOM 1393 CD2 HIS A 97 -3.491 -19.313 9.867 1.00 0.00 C flip ATOM 1394 CE1 HIS A 97 -2.552 -20.790 8.631 1.00 0.00 C flip ATOM 1395 NE2 HIS A 97 -3.450 -20.603 9.581 1.00 0.00 N flip ATOM 0 H HIS A 97 -2.837 -14.649 8.770 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.639 -16.796 7.160 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.405 -16.955 9.585 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.128 -16.728 9.811 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.133 -18.857 10.607 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.295 -21.741 8.189 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.016 -21.330 10.019 1.00 0.00 H new ATOM 1403 N VAL A 98 -3.674 -17.270 5.841 1.00 0.00 N ATOM 1404 CA VAL A 98 -4.848 -17.658 5.069 1.00 0.00 C ATOM 1405 C VAL A 98 -4.915 -19.171 4.893 1.00 0.00 C ATOM 1406 O VAL A 98 -4.062 -19.770 4.238 1.00 0.00 O ATOM 1407 CB VAL A 98 -4.852 -16.991 3.680 1.00 0.00 C ATOM 1408 CG1 VAL A 98 -6.038 -17.475 2.859 1.00 0.00 C ATOM 1409 CG2 VAL A 98 -4.871 -15.476 3.818 1.00 0.00 C ATOM 0 H VAL A 98 -2.791 -17.362 5.339 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.720 -17.321 5.629 1.00 0.00 H new ATOM 0 HB VAL A 98 -3.939 -17.274 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.024 -16.993 1.881 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.976 -18.556 2.732 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.965 -17.223 3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.874 -15.020 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.766 -15.171 4.360 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.987 -15.149 4.365 1.00 0.00 H new ATOM 1419 N THR A 99 -5.937 -19.785 5.483 1.00 0.00 N ATOM 1420 CA THR A 99 -6.116 -21.228 5.393 1.00 0.00 C ATOM 1421 C THR A 99 -7.171 -21.588 4.353 1.00 0.00 C ATOM 1422 O THR A 99 -8.229 -20.963 4.287 1.00 0.00 O ATOM 1423 CB THR A 99 -6.525 -21.829 6.752 1.00 0.00 C ATOM 1424 OG1 THR A 99 -5.527 -21.537 7.737 1.00 0.00 O ATOM 1425 CG2 THR A 99 -6.711 -23.335 6.643 1.00 0.00 C ATOM 0 H THR A 99 -6.653 -19.304 6.028 1.00 0.00 H new ATOM 0 HA THR A 99 -5.156 -21.647 5.092 1.00 0.00 H new ATOM 0 HB THR A 99 -7.473 -21.382 7.052 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.795 -21.921 8.598 1.00 0.00 H new ATOM 0 HG21 THR A 99 -6.999 -23.737 7.614 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.491 -23.553 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 99 -5.776 -23.795 6.323 1.00 0.00 H new ATOM 1433 N VAL A 100 -6.876 -22.599 3.543 1.00 0.00 N ATOM 1434 CA VAL A 100 -7.800 -23.043 2.507 1.00 0.00 C ATOM 1435 C VAL A 100 -8.210 -24.496 2.722 1.00 0.00 C ATOM 1436 O VAL A 100 -7.374 -25.389 2.857 1.00 0.00 O ATOM 1437 CB VAL A 100 -7.182 -22.898 1.103 1.00 0.00 C ATOM 1438 CG1 VAL A 100 -8.155 -23.381 0.038 1.00 0.00 C ATOM 1439 CG2 VAL A 100 -6.772 -21.456 0.848 1.00 0.00 C ATOM 0 H VAL A 100 -6.004 -23.126 3.584 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.682 -22.406 2.575 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.288 -23.520 1.053 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -7.701 -23.271 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -8.394 -24.430 0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -9.069 -22.789 0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -6.337 -21.372 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.648 -20.811 0.917 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.036 -21.150 1.592 1.00 0.00 H new ATOM 1449 N PRO A 101 -9.529 -24.739 2.754 1.00 0.00 N ATOM 1450 CA PRO A 101 -10.081 -26.083 2.951 1.00 0.00 C ATOM 1451 C PRO A 101 -9.843 -26.990 1.748 1.00 0.00 C ATOM 1452 O PRO A 101 -9.961 -26.559 0.601 1.00 0.00 O ATOM 1453 CB PRO A 101 -11.578 -25.827 3.141 1.00 0.00 C ATOM 1454 CG PRO A 101 -11.834 -24.539 2.437 1.00 0.00 C ATOM 1455 CD PRO A 101 -10.582 -23.722 2.600 1.00 0.00 C ATOM 0 HA PRO A 101 -9.613 -26.597 3.790 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -12.175 -26.635 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.837 -25.759 4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.055 -24.708 1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.694 -24.024 2.865 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.402 -23.085 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.639 -23.068 3.470 1.00 0.00 H new TER 1463 PRO A 101