USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 747 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 72 ASN : amide:sc= -0.801 K(o=-1.7,f=-0.51) USER MOD Set 1.2: A 73 ASN : amide:sc= -0.881 K(o=-1.7,f=-3.5!) USER MOD Single : A 1 MET CE :methyl 170:sc= 0 (180deg=-0.107) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -13:sc= 0.594 USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= -0.0695 (180deg=-0.99) USER MOD Single : A -1 SER OG : rot 180:sc= -0.0332 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc= 0 USER MOD Single : A -6 GLY N :NH3+ -129:sc= 0.088 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 15 SER OG : rot 180:sc= -0.705 USER MOD Single : A 16 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.37) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 23 ASN : amide:sc= -0.824 X(o=-0.82,f=-0.42) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 144:sc= 0.353 USER MOD Single : A 31 SER OG : rot -29:sc= 0.136 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 165:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -157:sc= -0.0809 (180deg=-0.799) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -111:sc= -0.765 (180deg=-2.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -108:sc= 0.255 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -144:sc= -1.26 (180deg=-1.77!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -40:sc= 0.245 USER MOD Single : A 65 GLN : amide:sc= -1.33 K(o=-1.3,f=-5.1!) USER MOD Single : A 66 ASN : amide:sc= -0.275 K(o=-0.27,f=-1.5) USER MOD Single : A 67 CYS SG : rot 65:sc= 0.536 USER MOD Single : A 68 THR OG1 : rot 73:sc= 0.75 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= -0.838 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 -15.986 -2.927 16.109 1.00 0.00 N ATOM 2 CA GLY A -6 -15.054 -2.151 16.905 1.00 0.00 C ATOM 3 C GLY A -6 -14.733 -0.809 16.278 1.00 0.00 C ATOM 4 O GLY A -6 -15.404 -0.377 15.341 1.00 0.00 O ATOM 0 H1 GLY A -6 -16.769 -3.252 16.711 1.00 0.00 H new ATOM 0 H2 GLY A -6 -16.362 -2.336 15.340 1.00 0.00 H new ATOM 0 H3 GLY A -6 -15.496 -3.750 15.704 1.00 0.00 H new ATOM 0 HA2 GLY A -6 -15.473 -1.993 17.899 1.00 0.00 H new ATOM 0 HA3 GLY A -6 -14.132 -2.718 17.035 1.00 0.00 H new ATOM 8 N SER A -5 -13.704 -0.146 16.797 1.00 0.00 N ATOM 9 CA SER A -5 -13.299 1.158 16.286 1.00 0.00 C ATOM 10 C SER A -5 -11.783 1.316 16.342 1.00 0.00 C ATOM 11 O SER A -5 -11.129 0.816 17.257 1.00 0.00 O ATOM 12 CB SER A -5 -13.969 2.275 17.088 1.00 0.00 C ATOM 13 OG SER A -5 -13.570 2.237 18.447 1.00 0.00 O ATOM 0 H SER A -5 -13.136 -0.491 17.571 1.00 0.00 H new ATOM 0 HA SER A -5 -13.616 1.227 15.246 1.00 0.00 H new ATOM 0 HB2 SER A -5 -13.710 3.242 16.657 1.00 0.00 H new ATOM 0 HB3 SER A -5 -15.052 2.176 17.021 1.00 0.00 H new ATOM 0 HG SER A -5 -14.011 2.962 18.938 1.00 0.00 H new ATOM 19 N SER A -4 -11.230 2.014 15.355 1.00 0.00 N ATOM 20 CA SER A -4 -9.790 2.236 15.288 1.00 0.00 C ATOM 21 C SER A -4 -9.302 3.006 16.511 1.00 0.00 C ATOM 22 O SER A -4 -10.011 3.857 17.047 1.00 0.00 O ATOM 23 CB SER A -4 -9.429 3.000 14.013 1.00 0.00 C ATOM 24 OG SER A -4 -9.876 4.343 14.079 1.00 0.00 O ATOM 0 H SER A -4 -11.757 2.436 14.591 1.00 0.00 H new ATOM 0 HA SER A -4 -9.298 1.264 15.272 1.00 0.00 H new ATOM 0 HB2 SER A -4 -8.349 2.980 13.867 1.00 0.00 H new ATOM 0 HB3 SER A -4 -9.877 2.506 13.150 1.00 0.00 H new ATOM 0 HG SER A -4 -9.631 4.810 13.253 1.00 0.00 H new ATOM 30 N GLY A -3 -8.084 2.700 16.947 1.00 0.00 N ATOM 31 CA GLY A -3 -7.520 3.371 18.104 1.00 0.00 C ATOM 32 C GLY A -3 -6.732 4.611 17.728 1.00 0.00 C ATOM 33 O GLY A -3 -6.040 4.630 16.711 1.00 0.00 O ATOM 0 H GLY A -3 -7.478 2.000 16.520 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -8.323 3.648 18.787 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -6.870 2.680 18.640 1.00 0.00 H new ATOM 37 N SER A -2 -6.839 5.650 18.551 1.00 0.00 N ATOM 38 CA SER A -2 -6.135 6.901 18.296 1.00 0.00 C ATOM 39 C SER A -2 -4.780 6.914 18.997 1.00 0.00 C ATOM 40 O SER A -2 -4.387 7.916 19.595 1.00 0.00 O ATOM 41 CB SER A -2 -6.976 8.089 18.766 1.00 0.00 C ATOM 42 OG SER A -2 -8.251 8.088 18.147 1.00 0.00 O ATOM 0 H SER A -2 -7.406 5.650 19.399 1.00 0.00 H new ATOM 0 HA SER A -2 -5.970 6.984 17.222 1.00 0.00 H new ATOM 0 HB2 SER A -2 -7.094 8.049 19.849 1.00 0.00 H new ATOM 0 HB3 SER A -2 -6.457 9.020 18.536 1.00 0.00 H new ATOM 0 HG SER A -2 -8.770 8.856 18.465 1.00 0.00 H new ATOM 48 N SER A -1 -4.069 5.794 18.919 1.00 0.00 N ATOM 49 CA SER A -1 -2.759 5.674 19.549 1.00 0.00 C ATOM 50 C SER A -1 -1.911 6.913 19.279 1.00 0.00 C ATOM 51 O SER A -1 -1.363 7.517 20.200 1.00 0.00 O ATOM 52 CB SER A -1 -2.037 4.426 19.038 1.00 0.00 C ATOM 53 OG SER A -1 -1.956 4.427 17.623 1.00 0.00 O ATOM 0 H SER A -1 -4.378 4.956 18.426 1.00 0.00 H new ATOM 0 HA SER A -1 -2.907 5.584 20.625 1.00 0.00 H new ATOM 0 HB2 SER A -1 -1.034 4.383 19.463 1.00 0.00 H new ATOM 0 HB3 SER A -1 -2.564 3.533 19.375 1.00 0.00 H new ATOM 0 HG SER A -1 -1.489 3.620 17.322 1.00 0.00 H new ATOM 59 N GLY A 0 -1.807 7.286 18.007 1.00 0.00 N ATOM 60 CA GLY A 0 -1.024 8.451 17.636 1.00 0.00 C ATOM 61 C GLY A 0 0.461 8.244 17.855 1.00 0.00 C ATOM 62 O GLY A 0 0.914 7.119 18.064 1.00 0.00 O ATOM 0 H GLY A 0 -2.251 6.802 17.227 1.00 0.00 H new ATOM 0 HA2 GLY A 0 -1.204 8.687 16.587 1.00 0.00 H new ATOM 0 HA3 GLY A 0 -1.358 9.310 18.218 1.00 0.00 H new ATOM 66 N MET A 1 1.222 9.333 17.805 1.00 0.00 N ATOM 67 CA MET A 1 2.666 9.265 17.999 1.00 0.00 C ATOM 68 C MET A 1 3.271 10.663 18.068 1.00 0.00 C ATOM 69 O MET A 1 2.705 11.621 17.541 1.00 0.00 O ATOM 70 CB MET A 1 3.317 8.469 16.867 1.00 0.00 C ATOM 71 CG MET A 1 4.823 8.325 17.014 1.00 0.00 C ATOM 72 SD MET A 1 5.298 7.549 18.571 1.00 0.00 S ATOM 73 CE MET A 1 4.771 5.862 18.283 1.00 0.00 C ATOM 0 H MET A 1 0.863 10.272 17.632 1.00 0.00 H new ATOM 0 HA MET A 1 2.858 8.759 18.945 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.868 7.477 16.826 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.098 8.957 15.918 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.210 7.733 16.185 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.286 9.309 16.947 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.153 5.221 19.077 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.682 5.818 18.273 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.157 5.519 17.323 1.00 0.00 H new ATOM 83 N SER A 2 4.424 10.773 18.720 1.00 0.00 N ATOM 84 CA SER A 2 5.104 12.055 18.860 1.00 0.00 C ATOM 85 C SER A 2 6.276 12.158 17.889 1.00 0.00 C ATOM 86 O SER A 2 6.322 13.053 17.046 1.00 0.00 O ATOM 87 CB SER A 2 5.599 12.240 20.296 1.00 0.00 C ATOM 88 OG SER A 2 4.518 12.243 21.212 1.00 0.00 O ATOM 0 H SER A 2 4.907 9.989 19.160 1.00 0.00 H new ATOM 0 HA SER A 2 4.390 12.844 18.625 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.293 11.439 20.551 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.150 13.177 20.376 1.00 0.00 H new ATOM 0 HG SER A 2 4.861 12.361 22.122 1.00 0.00 H new ATOM 94 N GLY A 3 7.223 11.233 18.014 1.00 0.00 N ATOM 95 CA GLY A 3 8.383 11.237 17.142 1.00 0.00 C ATOM 96 C GLY A 3 8.312 10.159 16.078 1.00 0.00 C ATOM 97 O GLY A 3 7.227 9.716 15.705 1.00 0.00 O ATOM 0 H GLY A 3 7.207 10.481 18.703 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.470 12.212 16.662 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.283 11.095 17.740 1.00 0.00 H new ATOM 101 N GLY A 4 9.473 9.737 15.587 1.00 0.00 N ATOM 102 CA GLY A 4 9.516 8.710 14.563 1.00 0.00 C ATOM 103 C GLY A 4 8.955 9.188 13.238 1.00 0.00 C ATOM 104 O GLY A 4 8.780 10.388 13.026 1.00 0.00 O ATOM 0 H GLY A 4 10.385 10.088 15.880 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.547 8.385 14.422 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.952 7.841 14.901 1.00 0.00 H new ATOM 108 N LEU A 5 8.672 8.247 12.344 1.00 0.00 N ATOM 109 CA LEU A 5 8.128 8.579 11.031 1.00 0.00 C ATOM 110 C LEU A 5 6.879 9.445 11.162 1.00 0.00 C ATOM 111 O LEU A 5 6.043 9.217 12.035 1.00 0.00 O ATOM 112 CB LEU A 5 7.799 7.302 10.257 1.00 0.00 C ATOM 113 CG LEU A 5 7.037 7.490 8.944 1.00 0.00 C ATOM 114 CD1 LEU A 5 7.200 6.269 8.052 1.00 0.00 C ATOM 115 CD2 LEU A 5 5.565 7.762 9.217 1.00 0.00 C ATOM 0 H LEU A 5 8.810 7.249 12.504 1.00 0.00 H new ATOM 0 HA LEU A 5 8.883 9.144 10.484 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.732 6.781 10.041 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.212 6.650 10.904 1.00 0.00 H new ATOM 0 HG LEU A 5 7.455 8.352 8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.651 6.421 7.123 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.256 6.120 7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.810 5.390 8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.038 7.893 8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.134 6.920 9.759 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.467 8.668 9.816 1.00 0.00 H new ATOM 127 N ALA A 6 6.759 10.437 10.286 1.00 0.00 N ATOM 128 CA ALA A 6 5.611 11.334 10.301 1.00 0.00 C ATOM 129 C ALA A 6 4.659 11.027 9.150 1.00 0.00 C ATOM 130 O ALA A 6 5.037 11.050 7.978 1.00 0.00 O ATOM 131 CB ALA A 6 6.072 12.783 10.235 1.00 0.00 C ATOM 0 H ALA A 6 7.443 10.639 9.557 1.00 0.00 H new ATOM 0 HA ALA A 6 5.072 11.178 11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.204 13.442 10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.706 13.003 11.094 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.637 12.944 9.317 1.00 0.00 H new ATOM 137 N PRO A 7 3.396 10.731 9.488 1.00 0.00 N ATOM 138 CA PRO A 7 2.364 10.413 8.496 1.00 0.00 C ATOM 139 C PRO A 7 1.962 11.629 7.668 1.00 0.00 C ATOM 140 O PRO A 7 2.426 12.742 7.916 1.00 0.00 O ATOM 141 CB PRO A 7 1.188 9.933 9.349 1.00 0.00 C ATOM 142 CG PRO A 7 1.388 10.586 10.673 1.00 0.00 C ATOM 143 CD PRO A 7 2.876 10.684 10.865 1.00 0.00 C ATOM 0 HA PRO A 7 2.709 9.677 7.770 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.234 10.220 8.906 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.183 8.847 9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.926 11.573 10.695 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.929 10.001 11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.150 11.576 11.429 1.00 0.00 H new ATOM 0 HD3 PRO A 7 3.268 9.827 11.413 1.00 0.00 H new ATOM 151 N SER A 8 1.095 11.409 6.685 1.00 0.00 N ATOM 152 CA SER A 8 0.633 12.487 5.818 1.00 0.00 C ATOM 153 C SER A 8 -0.701 12.127 5.169 1.00 0.00 C ATOM 154 O SER A 8 -1.042 10.952 5.032 1.00 0.00 O ATOM 155 CB SER A 8 1.675 12.785 4.739 1.00 0.00 C ATOM 156 OG SER A 8 2.917 13.147 5.316 1.00 0.00 O ATOM 0 H SER A 8 0.698 10.494 6.469 1.00 0.00 H new ATOM 0 HA SER A 8 0.491 13.378 6.430 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.807 11.909 4.104 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.319 13.592 4.098 1.00 0.00 H new ATOM 0 HG SER A 8 2.792 13.337 6.269 1.00 0.00 H new ATOM 162 N LYS A 9 -1.451 13.149 4.770 1.00 0.00 N ATOM 163 CA LYS A 9 -2.747 12.943 4.134 1.00 0.00 C ATOM 164 C LYS A 9 -2.639 11.937 2.992 1.00 0.00 C ATOM 165 O LYS A 9 -3.592 11.217 2.695 1.00 0.00 O ATOM 166 CB LYS A 9 -3.296 14.272 3.607 1.00 0.00 C ATOM 167 CG LYS A 9 -2.757 14.652 2.239 1.00 0.00 C ATOM 168 CD LYS A 9 -1.330 15.166 2.324 1.00 0.00 C ATOM 169 CE LYS A 9 -1.291 16.667 2.567 1.00 0.00 C ATOM 170 NZ LYS A 9 -1.277 16.994 4.020 1.00 0.00 N ATOM 0 H LYS A 9 -1.184 14.128 4.876 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.432 12.544 4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.383 14.212 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.053 15.063 4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.794 13.785 1.579 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.394 15.417 1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.805 14.652 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.802 14.932 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.406 17.089 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.158 17.133 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.778 17.894 4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.254 17.078 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.789 16.238 4.541 1.00 0.00 H new ATOM 184 N SER A 10 -1.473 11.893 2.357 1.00 0.00 N ATOM 185 CA SER A 10 -1.242 10.976 1.246 1.00 0.00 C ATOM 186 C SER A 10 -1.187 9.532 1.736 1.00 0.00 C ATOM 187 O SER A 10 -1.905 8.666 1.236 1.00 0.00 O ATOM 188 CB SER A 10 0.060 11.332 0.526 1.00 0.00 C ATOM 189 OG SER A 10 1.091 11.629 1.452 1.00 0.00 O ATOM 0 H SER A 10 -0.673 12.481 2.592 1.00 0.00 H new ATOM 0 HA SER A 10 -2.073 11.073 0.548 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.366 10.501 -0.110 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.105 12.189 -0.127 1.00 0.00 H new ATOM 0 HG SER A 10 1.913 11.852 0.966 1.00 0.00 H new ATOM 195 N THR A 11 -0.328 9.280 2.719 1.00 0.00 N ATOM 196 CA THR A 11 -0.177 7.942 3.277 1.00 0.00 C ATOM 197 C THR A 11 -1.534 7.303 3.549 1.00 0.00 C ATOM 198 O THR A 11 -2.532 7.998 3.738 1.00 0.00 O ATOM 199 CB THR A 11 0.638 7.967 4.584 1.00 0.00 C ATOM 200 OG1 THR A 11 1.843 8.718 4.397 1.00 0.00 O ATOM 201 CG2 THR A 11 0.979 6.555 5.036 1.00 0.00 C ATOM 0 H THR A 11 0.274 9.985 3.145 1.00 0.00 H new ATOM 0 HA THR A 11 0.358 7.349 2.535 1.00 0.00 H new ATOM 0 HB THR A 11 0.031 8.442 5.355 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.354 8.730 5.233 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.555 6.598 5.961 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.059 5.996 5.207 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.568 6.058 4.265 1.00 0.00 H new ATOM 209 N VAL A 12 -1.564 5.974 3.568 1.00 0.00 N ATOM 210 CA VAL A 12 -2.799 5.241 3.819 1.00 0.00 C ATOM 211 C VAL A 12 -2.589 4.154 4.867 1.00 0.00 C ATOM 212 O VAL A 12 -1.825 3.212 4.655 1.00 0.00 O ATOM 213 CB VAL A 12 -3.342 4.598 2.529 1.00 0.00 C ATOM 214 CG1 VAL A 12 -4.670 3.906 2.796 1.00 0.00 C ATOM 215 CG2 VAL A 12 -3.487 5.643 1.434 1.00 0.00 C ATOM 0 H VAL A 12 -0.747 5.383 3.413 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.526 5.963 4.190 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.629 3.846 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.039 3.458 1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.531 3.128 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.394 4.636 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.872 5.171 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.179 6.419 1.761 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.514 6.089 1.225 1.00 0.00 H new ATOM 225 N TYR A 13 -3.273 4.290 5.998 1.00 0.00 N ATOM 226 CA TYR A 13 -3.160 3.320 7.080 1.00 0.00 C ATOM 227 C TYR A 13 -3.910 2.035 6.741 1.00 0.00 C ATOM 228 O TYR A 13 -5.136 1.975 6.833 1.00 0.00 O ATOM 229 CB TYR A 13 -3.703 3.911 8.382 1.00 0.00 C ATOM 230 CG TYR A 13 -3.263 3.160 9.618 1.00 0.00 C ATOM 231 CD1 TYR A 13 -3.517 1.801 9.756 1.00 0.00 C ATOM 232 CD2 TYR A 13 -2.594 3.809 10.649 1.00 0.00 C ATOM 233 CE1 TYR A 13 -3.118 1.111 10.884 1.00 0.00 C ATOM 234 CE2 TYR A 13 -2.190 3.127 11.780 1.00 0.00 C ATOM 235 CZ TYR A 13 -2.455 1.778 11.893 1.00 0.00 C ATOM 236 OH TYR A 13 -2.054 1.094 13.018 1.00 0.00 O ATOM 0 H TYR A 13 -3.911 5.062 6.189 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.105 3.080 7.209 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.379 4.949 8.463 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.792 3.919 8.341 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.035 1.275 8.968 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.386 4.865 10.564 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.324 0.055 10.976 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.670 3.647 12.571 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.600 1.710 13.631 1.00 0.00 H new ATOM 246 N VAL A 14 -3.164 1.008 6.348 1.00 0.00 N ATOM 247 CA VAL A 14 -3.756 -0.277 5.996 1.00 0.00 C ATOM 248 C VAL A 14 -3.276 -1.379 6.934 1.00 0.00 C ATOM 249 O VAL A 14 -2.096 -1.731 6.942 1.00 0.00 O ATOM 250 CB VAL A 14 -3.421 -0.671 4.545 1.00 0.00 C ATOM 251 CG1 VAL A 14 -4.366 -1.757 4.055 1.00 0.00 C ATOM 252 CG2 VAL A 14 -3.478 0.547 3.636 1.00 0.00 C ATOM 0 H VAL A 14 -2.148 1.041 6.265 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.836 -0.165 6.094 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.406 -1.068 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.114 -2.022 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.270 -2.637 4.691 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.392 -1.391 4.094 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.239 0.250 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.480 0.975 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.756 1.289 3.977 1.00 0.00 H new ATOM 262 N SER A 15 -4.198 -1.920 7.723 1.00 0.00 N ATOM 263 CA SER A 15 -3.868 -2.981 8.668 1.00 0.00 C ATOM 264 C SER A 15 -4.484 -4.307 8.233 1.00 0.00 C ATOM 265 O SER A 15 -5.125 -4.392 7.187 1.00 0.00 O ATOM 266 CB SER A 15 -4.358 -2.614 10.070 1.00 0.00 C ATOM 267 OG SER A 15 -3.528 -3.185 11.067 1.00 0.00 O ATOM 0 H SER A 15 -5.179 -1.642 7.727 1.00 0.00 H new ATOM 0 HA SER A 15 -2.784 -3.093 8.687 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.372 -1.530 10.181 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.383 -2.961 10.203 1.00 0.00 H new ATOM 0 HG SER A 15 -3.862 -2.934 11.954 1.00 0.00 H new ATOM 273 N ASN A 16 -4.284 -5.340 9.045 1.00 0.00 N ATOM 274 CA ASN A 16 -4.818 -6.663 8.745 1.00 0.00 C ATOM 275 C ASN A 16 -4.306 -7.164 7.398 1.00 0.00 C ATOM 276 O ASN A 16 -4.957 -7.974 6.736 1.00 0.00 O ATOM 277 CB ASN A 16 -6.348 -6.629 8.741 1.00 0.00 C ATOM 278 CG ASN A 16 -6.936 -6.921 10.109 1.00 0.00 C ATOM 279 OD1 ASN A 16 -6.815 -6.117 11.033 1.00 0.00 O ATOM 280 ND2 ASN A 16 -7.577 -8.076 10.243 1.00 0.00 N ATOM 0 H ASN A 16 -3.756 -5.286 9.916 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.478 -7.349 9.521 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.686 -5.649 8.405 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.723 -7.359 8.024 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -7.994 -8.327 11.140 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.653 -8.712 9.449 1.00 0.00 H new ATOM 287 N LEU A 17 -3.138 -6.676 6.997 1.00 0.00 N ATOM 288 CA LEU A 17 -2.537 -7.074 5.729 1.00 0.00 C ATOM 289 C LEU A 17 -1.729 -8.358 5.888 1.00 0.00 C ATOM 290 O LEU A 17 -1.093 -8.597 6.914 1.00 0.00 O ATOM 291 CB LEU A 17 -1.640 -5.956 5.194 1.00 0.00 C ATOM 292 CG LEU A 17 -2.358 -4.762 4.564 1.00 0.00 C ATOM 293 CD1 LEU A 17 -1.422 -3.568 4.465 1.00 0.00 C ATOM 294 CD2 LEU A 17 -2.901 -5.131 3.191 1.00 0.00 C ATOM 0 H LEU A 17 -2.588 -6.004 7.532 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.341 -7.259 5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.021 -5.591 6.013 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.966 -6.382 4.451 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.197 -4.488 5.204 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.950 -2.728 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.081 -3.289 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.563 -3.830 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.409 -4.270 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.078 -5.431 2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.606 -5.957 3.288 1.00 0.00 H new ATOM 306 N PRO A 18 -1.752 -9.204 4.847 1.00 0.00 N ATOM 307 CA PRO A 18 -1.025 -10.477 4.846 1.00 0.00 C ATOM 308 C PRO A 18 0.486 -10.281 4.780 1.00 0.00 C ATOM 309 O PRO A 18 1.082 -10.335 3.704 1.00 0.00 O ATOM 310 CB PRO A 18 -1.530 -11.173 3.580 1.00 0.00 C ATOM 311 CG PRO A 18 -1.966 -10.064 2.686 1.00 0.00 C ATOM 312 CD PRO A 18 -2.489 -8.984 3.592 1.00 0.00 C ATOM 0 HA PRO A 18 -1.198 -11.046 5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -0.745 -11.770 3.116 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -2.355 -11.850 3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -1.135 -9.699 2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.738 -10.401 1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -2.300 -7.991 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.566 -9.069 3.738 1.00 0.00 H new ATOM 320 N PHE A 19 1.100 -10.055 5.936 1.00 0.00 N ATOM 321 CA PHE A 19 2.543 -9.851 6.009 1.00 0.00 C ATOM 322 C PHE A 19 3.277 -10.829 5.096 1.00 0.00 C ATOM 323 O PHE A 19 4.370 -10.540 4.611 1.00 0.00 O ATOM 324 CB PHE A 19 3.031 -10.016 7.449 1.00 0.00 C ATOM 325 CG PHE A 19 2.371 -11.151 8.179 1.00 0.00 C ATOM 326 CD1 PHE A 19 1.185 -10.954 8.867 1.00 0.00 C ATOM 327 CD2 PHE A 19 2.938 -12.415 8.177 1.00 0.00 C ATOM 328 CE1 PHE A 19 0.577 -11.996 9.541 1.00 0.00 C ATOM 329 CE2 PHE A 19 2.334 -13.462 8.849 1.00 0.00 C ATOM 330 CZ PHE A 19 1.151 -13.252 9.530 1.00 0.00 C ATOM 0 H PHE A 19 0.622 -10.008 6.836 1.00 0.00 H new ATOM 0 HA PHE A 19 2.759 -8.836 5.674 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.109 -10.177 7.443 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.850 -9.090 7.994 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.730 -9.975 8.877 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.862 -12.585 7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.346 -11.828 10.076 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.787 -14.442 8.841 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.676 -14.069 10.053 1.00 0.00 H new ATOM 340 N SER A 20 2.667 -11.988 4.868 1.00 0.00 N ATOM 341 CA SER A 20 3.264 -13.012 4.018 1.00 0.00 C ATOM 342 C SER A 20 3.882 -12.389 2.770 1.00 0.00 C ATOM 343 O SER A 20 4.882 -12.880 2.246 1.00 0.00 O ATOM 344 CB SER A 20 2.213 -14.049 3.618 1.00 0.00 C ATOM 345 OG SER A 20 1.931 -14.930 4.691 1.00 0.00 O ATOM 0 H SER A 20 1.760 -12.241 5.260 1.00 0.00 H new ATOM 0 HA SER A 20 4.053 -13.506 4.585 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.298 -13.543 3.309 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.568 -14.619 2.759 1.00 0.00 H new ATOM 0 HG SER A 20 1.255 -15.582 4.410 1.00 0.00 H new ATOM 351 N LEU A 21 3.278 -11.304 2.298 1.00 0.00 N ATOM 352 CA LEU A 21 3.767 -10.612 1.110 1.00 0.00 C ATOM 353 C LEU A 21 4.969 -9.735 1.447 1.00 0.00 C ATOM 354 O LEU A 21 5.362 -9.621 2.609 1.00 0.00 O ATOM 355 CB LEU A 21 2.655 -9.758 0.499 1.00 0.00 C ATOM 356 CG LEU A 21 1.276 -10.413 0.414 1.00 0.00 C ATOM 357 CD1 LEU A 21 0.298 -9.507 -0.319 1.00 0.00 C ATOM 358 CD2 LEU A 21 1.370 -11.767 -0.275 1.00 0.00 C ATOM 0 H LEU A 21 2.449 -10.884 2.719 1.00 0.00 H new ATOM 0 HA LEU A 21 4.080 -11.364 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.565 -8.842 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.959 -9.466 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 21 0.906 -10.568 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.678 -9.990 -0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.207 -8.561 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.663 -9.319 -1.329 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.379 -12.219 -0.327 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.762 -11.636 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.036 -12.418 0.291 1.00 0.00 H new ATOM 370 N THR A 22 5.549 -9.115 0.424 1.00 0.00 N ATOM 371 CA THR A 22 6.705 -8.248 0.612 1.00 0.00 C ATOM 372 C THR A 22 6.430 -6.843 0.086 1.00 0.00 C ATOM 373 O THR A 22 5.468 -6.623 -0.650 1.00 0.00 O ATOM 374 CB THR A 22 7.952 -8.813 -0.094 1.00 0.00 C ATOM 375 OG1 THR A 22 9.093 -8.000 0.201 1.00 0.00 O ATOM 376 CG2 THR A 22 7.741 -8.872 -1.600 1.00 0.00 C ATOM 0 H THR A 22 5.237 -9.197 -0.543 1.00 0.00 H new ATOM 0 HA THR A 22 6.894 -8.201 1.685 1.00 0.00 H new ATOM 0 HB THR A 22 8.123 -9.825 0.273 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.882 -8.367 -0.250 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.635 -9.274 -2.077 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.890 -9.515 -1.823 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.547 -7.869 -1.980 1.00 0.00 H new ATOM 384 N ASN A 23 7.281 -5.897 0.467 1.00 0.00 N ATOM 385 CA ASN A 23 7.129 -4.513 0.033 1.00 0.00 C ATOM 386 C ASN A 23 6.701 -4.445 -1.430 1.00 0.00 C ATOM 387 O ASN A 23 5.735 -3.766 -1.774 1.00 0.00 O ATOM 388 CB ASN A 23 8.440 -3.748 0.228 1.00 0.00 C ATOM 389 CG ASN A 23 9.170 -4.165 1.490 1.00 0.00 C ATOM 390 OD1 ASN A 23 10.115 -4.953 1.443 1.00 0.00 O ATOM 391 ND2 ASN A 23 8.733 -3.637 2.628 1.00 0.00 N ATOM 0 H ASN A 23 8.083 -6.063 1.075 1.00 0.00 H new ATOM 0 HA ASN A 23 6.352 -4.051 0.642 1.00 0.00 H new ATOM 0 HB2 ASN A 23 9.086 -3.914 -0.634 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.231 -2.679 0.269 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.184 -3.881 3.510 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.946 -2.988 2.620 1.00 0.00 H new ATOM 398 N ASN A 24 7.428 -5.155 -2.287 1.00 0.00 N ATOM 399 CA ASN A 24 7.124 -5.176 -3.713 1.00 0.00 C ATOM 400 C ASN A 24 5.664 -5.549 -3.953 1.00 0.00 C ATOM 401 O ASN A 24 4.955 -4.873 -4.698 1.00 0.00 O ATOM 402 CB ASN A 24 8.040 -6.166 -4.436 1.00 0.00 C ATOM 403 CG ASN A 24 7.599 -6.424 -5.864 1.00 0.00 C ATOM 404 OD1 ASN A 24 7.076 -7.492 -6.181 1.00 0.00 O ATOM 405 ND2 ASN A 24 7.809 -5.443 -6.734 1.00 0.00 N ATOM 0 H ASN A 24 8.231 -5.723 -2.019 1.00 0.00 H new ATOM 0 HA ASN A 24 7.295 -4.175 -4.110 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.059 -5.780 -4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.057 -7.108 -3.888 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.533 -5.559 -7.709 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.246 -4.574 -6.427 1.00 0.00 H new ATOM 412 N ASP A 25 5.222 -6.627 -3.315 1.00 0.00 N ATOM 413 CA ASP A 25 3.846 -7.089 -3.457 1.00 0.00 C ATOM 414 C ASP A 25 2.862 -5.955 -3.189 1.00 0.00 C ATOM 415 O ASP A 25 2.129 -5.530 -4.083 1.00 0.00 O ATOM 416 CB ASP A 25 3.575 -8.253 -2.502 1.00 0.00 C ATOM 417 CG ASP A 25 4.020 -9.585 -3.073 1.00 0.00 C ATOM 418 OD1 ASP A 25 5.243 -9.788 -3.223 1.00 0.00 O ATOM 419 OD2 ASP A 25 3.145 -10.425 -3.367 1.00 0.00 O ATOM 0 H ASP A 25 5.796 -7.197 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 25 3.708 -7.431 -4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.092 -8.074 -1.559 1.00 0.00 H new ATOM 0 HB3 ASP A 25 2.509 -8.295 -2.278 1.00 0.00 H new ATOM 424 N LEU A 26 2.850 -5.469 -1.952 1.00 0.00 N ATOM 425 CA LEU A 26 1.954 -4.384 -1.565 1.00 0.00 C ATOM 426 C LEU A 26 1.963 -3.272 -2.609 1.00 0.00 C ATOM 427 O LEU A 26 0.910 -2.844 -3.083 1.00 0.00 O ATOM 428 CB LEU A 26 2.362 -3.823 -0.202 1.00 0.00 C ATOM 429 CG LEU A 26 2.173 -4.758 0.993 1.00 0.00 C ATOM 430 CD1 LEU A 26 2.470 -4.028 2.294 1.00 0.00 C ATOM 431 CD2 LEU A 26 0.761 -5.326 1.008 1.00 0.00 C ATOM 0 H LEU A 26 3.450 -5.809 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 26 0.943 -4.786 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.412 -3.535 -0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.790 -2.913 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 26 2.875 -5.586 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.330 -4.709 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.500 -3.671 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.793 -3.180 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.645 -5.989 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.041 -4.510 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.584 -5.886 0.090 1.00 0.00 H new ATOM 443 N TYR A 27 3.157 -2.811 -2.965 1.00 0.00 N ATOM 444 CA TYR A 27 3.302 -1.749 -3.953 1.00 0.00 C ATOM 445 C TYR A 27 2.335 -1.951 -5.116 1.00 0.00 C ATOM 446 O TYR A 27 1.552 -1.061 -5.448 1.00 0.00 O ATOM 447 CB TYR A 27 4.740 -1.701 -4.473 1.00 0.00 C ATOM 448 CG TYR A 27 4.978 -0.614 -5.497 1.00 0.00 C ATOM 449 CD1 TYR A 27 4.624 -0.797 -6.828 1.00 0.00 C ATOM 450 CD2 TYR A 27 5.556 0.596 -5.133 1.00 0.00 C ATOM 451 CE1 TYR A 27 4.840 0.194 -7.767 1.00 0.00 C ATOM 452 CE2 TYR A 27 5.775 1.592 -6.064 1.00 0.00 C ATOM 453 CZ TYR A 27 5.415 1.386 -7.380 1.00 0.00 C ATOM 454 OH TYR A 27 5.632 2.376 -8.311 1.00 0.00 O ATOM 0 H TYR A 27 4.038 -3.156 -2.584 1.00 0.00 H new ATOM 0 HA TYR A 27 3.066 -0.802 -3.468 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.417 -1.551 -3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.990 -2.666 -4.915 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.173 -1.729 -7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.839 0.760 -4.104 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.560 0.036 -8.798 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.225 2.527 -5.764 1.00 0.00 H new ATOM 0 HH TYR A 27 5.475 3.252 -7.900 1.00 0.00 H new ATOM 464 N ARG A 28 2.397 -3.127 -5.731 1.00 0.00 N ATOM 465 CA ARG A 28 1.529 -3.447 -6.857 1.00 0.00 C ATOM 466 C ARG A 28 0.077 -3.574 -6.405 1.00 0.00 C ATOM 467 O ARG A 28 -0.829 -3.023 -7.032 1.00 0.00 O ATOM 468 CB ARG A 28 1.981 -4.747 -7.525 1.00 0.00 C ATOM 469 CG ARG A 28 3.257 -4.602 -8.338 1.00 0.00 C ATOM 470 CD ARG A 28 3.782 -5.953 -8.797 1.00 0.00 C ATOM 471 NE ARG A 28 3.227 -6.346 -10.090 1.00 0.00 N ATOM 472 CZ ARG A 28 2.043 -6.930 -10.234 1.00 0.00 C ATOM 473 NH1 ARG A 28 1.293 -7.189 -9.171 1.00 0.00 N ATOM 474 NH2 ARG A 28 1.606 -7.258 -11.444 1.00 0.00 N ATOM 0 H ARG A 28 3.040 -3.874 -5.468 1.00 0.00 H new ATOM 0 HA ARG A 28 1.598 -2.633 -7.579 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.133 -5.506 -6.758 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.184 -5.107 -8.176 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.067 -3.970 -9.206 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.016 -4.100 -7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.869 -5.915 -8.866 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.536 -6.710 -8.052 1.00 0.00 H new ATOM 0 HE ARG A 28 3.779 -6.162 -10.928 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.625 -6.939 -8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.384 -7.638 -9.285 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.180 -7.061 -12.264 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.696 -7.707 -11.554 1.00 0.00 H new ATOM 488 N ILE A 29 -0.137 -4.303 -5.315 1.00 0.00 N ATOM 489 CA ILE A 29 -1.478 -4.501 -4.780 1.00 0.00 C ATOM 490 C ILE A 29 -2.212 -3.173 -4.631 1.00 0.00 C ATOM 491 O ILE A 29 -3.414 -3.084 -4.883 1.00 0.00 O ATOM 492 CB ILE A 29 -1.439 -5.209 -3.413 1.00 0.00 C ATOM 493 CG1 ILE A 29 -0.744 -6.567 -3.537 1.00 0.00 C ATOM 494 CG2 ILE A 29 -2.848 -5.378 -2.864 1.00 0.00 C ATOM 495 CD1 ILE A 29 -0.244 -7.112 -2.217 1.00 0.00 C ATOM 0 H ILE A 29 0.601 -4.766 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.012 -5.131 -5.492 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.870 -4.593 -2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.438 -7.283 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.097 -6.475 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.804 -5.880 -1.897 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.311 -4.399 -2.744 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.439 -5.977 -3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.237 -8.076 -2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.475 -6.416 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.084 -7.237 -1.533 1.00 0.00 H new ATOM 507 N PHE A 30 -1.481 -2.141 -4.221 1.00 0.00 N ATOM 508 CA PHE A 30 -2.062 -0.816 -4.040 1.00 0.00 C ATOM 509 C PHE A 30 -1.896 0.028 -5.300 1.00 0.00 C ATOM 510 O PHE A 30 -2.434 1.131 -5.397 1.00 0.00 O ATOM 511 CB PHE A 30 -1.410 -0.109 -2.850 1.00 0.00 C ATOM 512 CG PHE A 30 -1.659 -0.794 -1.536 1.00 0.00 C ATOM 513 CD1 PHE A 30 -2.927 -0.809 -0.977 1.00 0.00 C ATOM 514 CD2 PHE A 30 -0.626 -1.422 -0.860 1.00 0.00 C ATOM 515 CE1 PHE A 30 -3.158 -1.438 0.232 1.00 0.00 C ATOM 516 CE2 PHE A 30 -0.851 -2.053 0.349 1.00 0.00 C ATOM 517 CZ PHE A 30 -2.119 -2.061 0.895 1.00 0.00 C ATOM 0 H PHE A 30 -0.485 -2.197 -4.008 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.127 -0.938 -3.843 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.335 -0.045 -3.020 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.785 0.913 -2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.743 -0.324 -1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.368 -1.419 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.150 -1.442 0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.036 -2.539 0.866 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.298 -2.554 1.839 1.00 0.00 H new ATOM 527 N SER A 31 -1.148 -0.499 -6.264 1.00 0.00 N ATOM 528 CA SER A 31 -0.907 0.207 -7.517 1.00 0.00 C ATOM 529 C SER A 31 -2.131 0.135 -8.425 1.00 0.00 C ATOM 530 O SER A 31 -2.191 0.799 -9.460 1.00 0.00 O ATOM 531 CB SER A 31 0.309 -0.384 -8.234 1.00 0.00 C ATOM 532 OG SER A 31 0.716 0.442 -9.311 1.00 0.00 O ATOM 0 H SER A 31 -0.698 -1.412 -6.201 1.00 0.00 H new ATOM 0 HA SER A 31 -0.710 1.253 -7.284 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.132 -0.498 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.068 -1.380 -8.606 1.00 0.00 H new ATOM 0 HG SER A 31 -0.059 0.928 -9.662 1.00 0.00 H new ATOM 538 N LYS A 32 -3.107 -0.675 -8.029 1.00 0.00 N ATOM 539 CA LYS A 32 -4.331 -0.835 -8.804 1.00 0.00 C ATOM 540 C LYS A 32 -5.245 0.374 -8.633 1.00 0.00 C ATOM 541 O LYS A 32 -6.096 0.646 -9.480 1.00 0.00 O ATOM 542 CB LYS A 32 -5.067 -2.107 -8.378 1.00 0.00 C ATOM 543 CG LYS A 32 -5.776 -1.981 -7.041 1.00 0.00 C ATOM 544 CD LYS A 32 -6.818 -3.072 -6.857 1.00 0.00 C ATOM 545 CE LYS A 32 -8.063 -2.799 -7.686 1.00 0.00 C ATOM 546 NZ LYS A 32 -8.945 -3.996 -7.774 1.00 0.00 N ATOM 0 H LYS A 32 -3.074 -1.231 -7.175 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.057 -0.916 -9.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.797 -2.368 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.353 -2.929 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.045 -2.035 -6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.255 -1.004 -6.973 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.393 -4.034 -7.143 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.089 -3.144 -5.804 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.618 -1.971 -7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.770 -2.489 -8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.782 -3.769 -8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.424 -4.779 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.245 -4.277 -6.819 1.00 0.00 H new ATOM 560 N TYR A 33 -5.062 1.097 -7.534 1.00 0.00 N ATOM 561 CA TYR A 33 -5.871 2.277 -7.252 1.00 0.00 C ATOM 562 C TYR A 33 -5.112 3.554 -7.602 1.00 0.00 C ATOM 563 O TYR A 33 -5.660 4.465 -8.221 1.00 0.00 O ATOM 564 CB TYR A 33 -6.278 2.301 -5.777 1.00 0.00 C ATOM 565 CG TYR A 33 -7.054 1.078 -5.344 1.00 0.00 C ATOM 566 CD1 TYR A 33 -8.343 0.848 -5.807 1.00 0.00 C ATOM 567 CD2 TYR A 33 -6.496 0.152 -4.471 1.00 0.00 C ATOM 568 CE1 TYR A 33 -9.055 -0.268 -5.413 1.00 0.00 C ATOM 569 CE2 TYR A 33 -7.200 -0.968 -4.072 1.00 0.00 C ATOM 570 CZ TYR A 33 -8.479 -1.173 -4.545 1.00 0.00 C ATOM 571 OH TYR A 33 -9.185 -2.287 -4.151 1.00 0.00 O ATOM 0 H TYR A 33 -4.361 0.887 -6.824 1.00 0.00 H new ATOM 0 HA TYR A 33 -6.768 2.228 -7.869 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.382 2.389 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.881 3.189 -5.589 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -8.796 1.554 -6.487 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.495 0.310 -4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -10.057 -0.431 -5.782 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.751 -1.679 -3.394 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.573 -2.935 -3.744 1.00 0.00 H new ATOM 581 N GLY A 34 -3.846 3.611 -7.201 1.00 0.00 N ATOM 582 CA GLY A 34 -3.031 4.779 -7.481 1.00 0.00 C ATOM 583 C GLY A 34 -1.549 4.463 -7.489 1.00 0.00 C ATOM 584 O GLY A 34 -1.119 3.447 -6.943 1.00 0.00 O ATOM 0 H GLY A 34 -3.370 2.869 -6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.316 5.194 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.232 5.546 -6.733 1.00 0.00 H new ATOM 588 N LYS A 35 -0.763 5.335 -8.113 1.00 0.00 N ATOM 589 CA LYS A 35 0.681 5.145 -8.191 1.00 0.00 C ATOM 590 C LYS A 35 1.317 5.235 -6.808 1.00 0.00 C ATOM 591 O LYS A 35 1.042 6.161 -6.045 1.00 0.00 O ATOM 592 CB LYS A 35 1.304 6.191 -9.119 1.00 0.00 C ATOM 593 CG LYS A 35 2.601 5.735 -9.764 1.00 0.00 C ATOM 594 CD LYS A 35 3.805 6.091 -8.907 1.00 0.00 C ATOM 595 CE LYS A 35 5.087 5.504 -9.475 1.00 0.00 C ATOM 596 NZ LYS A 35 5.608 6.308 -10.615 1.00 0.00 N ATOM 0 H LYS A 35 -1.102 6.180 -8.572 1.00 0.00 H new ATOM 0 HA LYS A 35 0.870 4.150 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.588 6.443 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.491 7.103 -8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.571 4.657 -9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.702 6.197 -10.746 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.898 7.175 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.653 5.722 -7.893 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.842 5.454 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.903 4.482 -9.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.483 5.875 -10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.898 6.335 -11.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.808 7.277 -10.294 1.00 0.00 H new ATOM 610 N VAL A 36 2.171 4.267 -6.490 1.00 0.00 N ATOM 611 CA VAL A 36 2.848 4.238 -5.199 1.00 0.00 C ATOM 612 C VAL A 36 4.277 4.757 -5.317 1.00 0.00 C ATOM 613 O VAL A 36 5.009 4.389 -6.235 1.00 0.00 O ATOM 614 CB VAL A 36 2.878 2.814 -4.613 1.00 0.00 C ATOM 615 CG1 VAL A 36 3.542 2.814 -3.244 1.00 0.00 C ATOM 616 CG2 VAL A 36 1.471 2.242 -4.532 1.00 0.00 C ATOM 0 H VAL A 36 2.410 3.492 -7.109 1.00 0.00 H new ATOM 0 HA VAL A 36 2.282 4.886 -4.530 1.00 0.00 H new ATOM 0 HB VAL A 36 3.466 2.179 -5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.554 1.800 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.565 3.180 -3.336 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.984 3.462 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.511 1.235 -4.116 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.857 2.875 -3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.035 2.205 -5.530 1.00 0.00 H new ATOM 626 N VAL A 37 4.667 5.616 -4.380 1.00 0.00 N ATOM 627 CA VAL A 37 6.010 6.185 -4.377 1.00 0.00 C ATOM 628 C VAL A 37 6.894 5.503 -3.340 1.00 0.00 C ATOM 629 O VAL A 37 8.092 5.316 -3.555 1.00 0.00 O ATOM 630 CB VAL A 37 5.976 7.699 -4.092 1.00 0.00 C ATOM 631 CG1 VAL A 37 7.383 8.277 -4.112 1.00 0.00 C ATOM 632 CG2 VAL A 37 5.083 8.410 -5.097 1.00 0.00 C ATOM 0 H VAL A 37 4.073 5.933 -3.614 1.00 0.00 H new ATOM 0 HA VAL A 37 6.427 6.018 -5.370 1.00 0.00 H new ATOM 0 HB VAL A 37 5.559 7.855 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.340 9.347 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.988 7.787 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.830 8.112 -5.092 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.071 9.478 -4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.468 8.248 -6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.070 8.014 -5.028 1.00 0.00 H new ATOM 642 N LYS A 38 6.296 5.132 -2.212 1.00 0.00 N ATOM 643 CA LYS A 38 7.028 4.468 -1.140 1.00 0.00 C ATOM 644 C LYS A 38 6.112 3.538 -0.351 1.00 0.00 C ATOM 645 O LYS A 38 4.911 3.784 -0.236 1.00 0.00 O ATOM 646 CB LYS A 38 7.651 5.504 -0.202 1.00 0.00 C ATOM 647 CG LYS A 38 8.876 6.190 -0.781 1.00 0.00 C ATOM 648 CD LYS A 38 9.580 7.045 0.259 1.00 0.00 C ATOM 649 CE LYS A 38 10.601 6.238 1.047 1.00 0.00 C ATOM 650 NZ LYS A 38 11.656 7.106 1.639 1.00 0.00 N ATOM 0 H LYS A 38 5.306 5.280 -2.017 1.00 0.00 H new ATOM 0 HA LYS A 38 7.821 3.872 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.903 6.259 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.926 5.016 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.567 5.439 -1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.580 6.812 -1.626 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.077 7.882 -0.232 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.844 7.468 0.942 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.095 5.688 1.841 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.063 5.499 0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.332 6.519 2.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.156 7.612 0.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.218 7.795 2.283 1.00 0.00 H new ATOM 664 N VAL A 39 6.686 2.470 0.192 1.00 0.00 N ATOM 665 CA VAL A 39 5.922 1.504 0.973 1.00 0.00 C ATOM 666 C VAL A 39 6.449 1.412 2.401 1.00 0.00 C ATOM 667 O VAL A 39 7.532 0.878 2.642 1.00 0.00 O ATOM 668 CB VAL A 39 5.963 0.105 0.331 1.00 0.00 C ATOM 669 CG1 VAL A 39 5.209 -0.899 1.189 1.00 0.00 C ATOM 670 CG2 VAL A 39 5.391 0.149 -1.078 1.00 0.00 C ATOM 0 H VAL A 39 7.679 2.251 0.106 1.00 0.00 H new ATOM 0 HA VAL A 39 4.891 1.857 0.991 1.00 0.00 H new ATOM 0 HB VAL A 39 7.003 -0.216 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.249 -1.882 0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.667 -0.950 2.177 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.170 -0.586 1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.428 -0.848 -1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.357 0.491 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.978 0.836 -1.688 1.00 0.00 H new ATOM 680 N THR A 40 5.674 1.935 3.346 1.00 0.00 N ATOM 681 CA THR A 40 6.062 1.912 4.751 1.00 0.00 C ATOM 682 C THR A 40 5.351 0.791 5.500 1.00 0.00 C ATOM 683 O THR A 40 4.188 0.493 5.230 1.00 0.00 O ATOM 684 CB THR A 40 5.751 3.254 5.441 1.00 0.00 C ATOM 685 OG1 THR A 40 6.451 4.317 4.785 1.00 0.00 O ATOM 686 CG2 THR A 40 6.145 3.211 6.910 1.00 0.00 C ATOM 0 H THR A 40 4.774 2.380 3.164 1.00 0.00 H new ATOM 0 HA THR A 40 7.138 1.738 4.779 1.00 0.00 H new ATOM 0 HB THR A 40 4.678 3.431 5.374 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.246 5.166 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.916 4.169 7.376 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.588 2.420 7.413 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.213 3.012 6.994 1.00 0.00 H new ATOM 694 N ILE A 41 6.057 0.174 6.441 1.00 0.00 N ATOM 695 CA ILE A 41 5.492 -0.913 7.230 1.00 0.00 C ATOM 696 C ILE A 41 5.835 -0.757 8.708 1.00 0.00 C ATOM 697 O ILE A 41 6.954 -0.384 9.059 1.00 0.00 O ATOM 698 CB ILE A 41 5.994 -2.284 6.740 1.00 0.00 C ATOM 699 CG1 ILE A 41 5.424 -2.595 5.355 1.00 0.00 C ATOM 700 CG2 ILE A 41 5.613 -3.373 7.732 1.00 0.00 C ATOM 701 CD1 ILE A 41 6.083 -3.779 4.682 1.00 0.00 C ATOM 0 H ILE A 41 7.022 0.408 6.676 1.00 0.00 H new ATOM 0 HA ILE A 41 4.410 -0.865 7.104 1.00 0.00 H new ATOM 0 HB ILE A 41 7.081 -2.251 6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.355 -2.788 5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.537 -1.717 4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.975 -4.336 7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.063 -3.156 8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.528 -3.408 7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.629 -3.941 3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.148 -3.581 4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.948 -4.669 5.297 1.00 0.00 H new ATOM 713 N MET A 42 4.866 -1.046 9.569 1.00 0.00 N ATOM 714 CA MET A 42 5.067 -0.941 11.009 1.00 0.00 C ATOM 715 C MET A 42 5.630 -2.240 11.576 1.00 0.00 C ATOM 716 O MET A 42 5.743 -3.241 10.869 1.00 0.00 O ATOM 717 CB MET A 42 3.749 -0.596 11.706 1.00 0.00 C ATOM 718 CG MET A 42 3.213 0.780 11.346 1.00 0.00 C ATOM 719 SD MET A 42 4.015 2.102 12.274 1.00 0.00 S ATOM 720 CE MET A 42 4.242 3.329 10.988 1.00 0.00 C ATOM 0 H MET A 42 3.933 -1.355 9.295 1.00 0.00 H new ATOM 0 HA MET A 42 5.787 -0.143 11.192 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.003 -1.347 11.446 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.893 -0.650 12.785 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.354 0.953 10.279 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.140 0.808 11.534 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.053 4.002 11.267 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.489 2.832 10.050 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.322 3.900 10.864 1.00 0.00 H new ATOM 730 N LYS A 43 5.983 -2.218 12.857 1.00 0.00 N ATOM 731 CA LYS A 43 6.534 -3.394 13.520 1.00 0.00 C ATOM 732 C LYS A 43 6.240 -3.362 15.017 1.00 0.00 C ATOM 733 O LYS A 43 6.098 -2.292 15.609 1.00 0.00 O ATOM 734 CB LYS A 43 8.044 -3.475 13.288 1.00 0.00 C ATOM 735 CG LYS A 43 8.429 -4.296 12.070 1.00 0.00 C ATOM 736 CD LYS A 43 9.711 -3.784 11.434 1.00 0.00 C ATOM 737 CE LYS A 43 10.053 -4.557 10.170 1.00 0.00 C ATOM 738 NZ LYS A 43 11.368 -4.144 9.606 1.00 0.00 N ATOM 0 H LYS A 43 5.897 -1.398 13.457 1.00 0.00 H new ATOM 0 HA LYS A 43 6.059 -4.277 13.093 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.440 -2.466 13.176 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.516 -3.907 14.171 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.557 -5.339 12.359 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.621 -4.264 11.339 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.603 -2.726 11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.531 -3.869 12.147 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.072 -5.624 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.273 -4.399 9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.565 -4.694 8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.342 -3.131 9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.116 -4.318 10.307 1.00 0.00 H new ATOM 752 N ASP A 44 6.151 -4.541 15.622 1.00 0.00 N ATOM 753 CA ASP A 44 5.876 -4.648 17.051 1.00 0.00 C ATOM 754 C ASP A 44 7.140 -4.394 17.867 1.00 0.00 C ATOM 755 O ASP A 44 8.253 -4.460 17.345 1.00 0.00 O ATOM 756 CB ASP A 44 5.310 -6.030 17.381 1.00 0.00 C ATOM 757 CG ASP A 44 4.809 -6.124 18.809 1.00 0.00 C ATOM 758 OD1 ASP A 44 4.018 -5.249 19.218 1.00 0.00 O ATOM 759 OD2 ASP A 44 5.208 -7.073 19.516 1.00 0.00 O ATOM 0 H ASP A 44 6.265 -5.436 15.146 1.00 0.00 H new ATOM 0 HA ASP A 44 5.137 -3.890 17.312 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.493 -6.258 16.697 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.081 -6.783 17.219 1.00 0.00 H new ATOM 764 N LYS A 45 6.960 -4.103 19.151 1.00 0.00 N ATOM 765 CA LYS A 45 8.084 -3.840 20.041 1.00 0.00 C ATOM 766 C LYS A 45 8.615 -5.136 20.646 1.00 0.00 C ATOM 767 O LYS A 45 9.651 -5.143 21.312 1.00 0.00 O ATOM 768 CB LYS A 45 7.664 -2.879 21.156 1.00 0.00 C ATOM 769 CG LYS A 45 7.463 -1.450 20.683 1.00 0.00 C ATOM 770 CD LYS A 45 8.780 -0.798 20.299 1.00 0.00 C ATOM 771 CE LYS A 45 9.685 -0.615 21.508 1.00 0.00 C ATOM 772 NZ LYS A 45 10.564 -1.796 21.727 1.00 0.00 N ATOM 0 H LYS A 45 6.045 -4.043 19.599 1.00 0.00 H new ATOM 0 HA LYS A 45 8.880 -3.381 19.454 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.738 -3.238 21.604 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.422 -2.891 21.939 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.789 -1.441 19.827 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.985 -0.869 21.472 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.287 -1.411 19.553 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.587 0.171 19.838 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.300 0.274 21.370 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.075 -0.447 22.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.271 -2.291 22.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.485 -2.442 20.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.550 -1.481 21.824 1.00 0.00 H new ATOM 786 N ASP A 46 7.901 -6.230 20.408 1.00 0.00 N ATOM 787 CA ASP A 46 8.302 -7.532 20.927 1.00 0.00 C ATOM 788 C ASP A 46 8.596 -8.504 19.789 1.00 0.00 C ATOM 789 O ASP A 46 9.753 -8.817 19.508 1.00 0.00 O ATOM 790 CB ASP A 46 7.208 -8.104 21.832 1.00 0.00 C ATOM 791 CG ASP A 46 7.306 -7.588 23.254 1.00 0.00 C ATOM 792 OD1 ASP A 46 6.712 -6.528 23.543 1.00 0.00 O ATOM 793 OD2 ASP A 46 7.975 -8.245 24.078 1.00 0.00 O ATOM 0 H ASP A 46 7.041 -6.241 19.859 1.00 0.00 H new ATOM 0 HA ASP A 46 9.213 -7.397 21.511 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.231 -7.848 21.422 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.277 -9.192 21.838 1.00 0.00 H new ATOM 798 N THR A 47 7.540 -8.980 19.136 1.00 0.00 N ATOM 799 CA THR A 47 7.685 -9.918 18.030 1.00 0.00 C ATOM 800 C THR A 47 8.434 -9.282 16.864 1.00 0.00 C ATOM 801 O THR A 47 9.068 -9.976 16.069 1.00 0.00 O ATOM 802 CB THR A 47 6.314 -10.417 17.533 1.00 0.00 C ATOM 803 OG1 THR A 47 5.536 -9.314 17.054 1.00 0.00 O ATOM 804 CG2 THR A 47 5.562 -11.129 18.647 1.00 0.00 C ATOM 0 H THR A 47 6.575 -8.731 19.354 1.00 0.00 H new ATOM 0 HA THR A 47 8.257 -10.765 18.407 1.00 0.00 H new ATOM 0 HB THR A 47 6.481 -11.123 16.720 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.667 -9.639 16.739 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.597 -11.472 18.273 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.144 -11.985 18.990 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.405 -10.441 19.478 1.00 0.00 H new ATOM 812 N ARG A 48 8.357 -7.959 16.769 1.00 0.00 N ATOM 813 CA ARG A 48 9.028 -7.229 15.700 1.00 0.00 C ATOM 814 C ARG A 48 8.560 -7.717 14.332 1.00 0.00 C ATOM 815 O ARG A 48 9.368 -7.946 13.432 1.00 0.00 O ATOM 816 CB ARG A 48 10.545 -7.390 15.818 1.00 0.00 C ATOM 817 CG ARG A 48 11.135 -6.716 17.047 1.00 0.00 C ATOM 818 CD ARG A 48 12.647 -6.597 16.945 1.00 0.00 C ATOM 819 NE ARG A 48 13.275 -6.458 18.256 1.00 0.00 N ATOM 820 CZ ARG A 48 14.589 -6.491 18.450 1.00 0.00 C ATOM 821 NH1 ARG A 48 15.409 -6.658 17.422 1.00 0.00 N ATOM 822 NH2 ARG A 48 15.084 -6.357 19.673 1.00 0.00 N ATOM 0 H ARG A 48 7.837 -7.370 17.419 1.00 0.00 H new ATOM 0 HA ARG A 48 8.772 -6.174 15.798 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.788 -8.452 15.844 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.016 -6.977 14.926 1.00 0.00 H new ATOM 0 HG2 ARG A 48 10.698 -5.724 17.165 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.873 -7.287 17.938 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.047 -7.478 16.443 1.00 0.00 H new ATOM 0 HD3 ARG A 48 12.902 -5.735 16.328 1.00 0.00 H new ATOM 0 HE ARG A 48 12.671 -6.328 19.068 1.00 0.00 H new ATOM 0 HH11 ARG A 48 15.032 -6.761 16.480 1.00 0.00 H new ATOM 0 HH12 ARG A 48 16.417 -6.683 17.573 1.00 0.00 H new ATOM 0 HH21 ARG A 48 14.456 -6.228 20.466 1.00 0.00 H new ATOM 0 HH22 ARG A 48 16.093 -6.383 19.820 1.00 0.00 H new ATOM 836 N LYS A 49 7.249 -7.875 14.183 1.00 0.00 N ATOM 837 CA LYS A 49 6.671 -8.335 12.926 1.00 0.00 C ATOM 838 C LYS A 49 5.707 -7.298 12.359 1.00 0.00 C ATOM 839 O LYS A 49 5.043 -6.580 13.106 1.00 0.00 O ATOM 840 CB LYS A 49 5.944 -9.665 13.131 1.00 0.00 C ATOM 841 CG LYS A 49 6.813 -10.744 13.754 1.00 0.00 C ATOM 842 CD LYS A 49 8.032 -11.041 12.899 1.00 0.00 C ATOM 843 CE LYS A 49 8.520 -12.467 13.099 1.00 0.00 C ATOM 844 NZ LYS A 49 9.351 -12.602 14.328 1.00 0.00 N ATOM 0 H LYS A 49 6.566 -7.691 14.918 1.00 0.00 H new ATOM 0 HA LYS A 49 7.483 -8.479 12.213 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.074 -9.500 13.766 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.574 -10.019 12.169 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.132 -10.427 14.747 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.228 -11.654 13.883 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.788 -10.883 11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.831 -10.343 13.149 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.664 -13.138 13.164 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.102 -12.777 12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.347 -12.736 14.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.260 -11.741 14.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.027 -13.423 14.878 1.00 0.00 H new ATOM 858 N SER A 50 5.633 -7.227 11.033 1.00 0.00 N ATOM 859 CA SER A 50 4.751 -6.276 10.367 1.00 0.00 C ATOM 860 C SER A 50 3.432 -6.138 11.121 1.00 0.00 C ATOM 861 O SER A 50 2.882 -5.043 11.239 1.00 0.00 O ATOM 862 CB SER A 50 4.485 -6.718 8.927 1.00 0.00 C ATOM 863 OG SER A 50 3.317 -6.102 8.412 1.00 0.00 O ATOM 0 H SER A 50 6.173 -7.817 10.400 1.00 0.00 H new ATOM 0 HA SER A 50 5.246 -5.305 10.356 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.340 -6.463 8.301 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.375 -7.802 8.890 1.00 0.00 H new ATOM 0 HG SER A 50 3.170 -6.400 7.490 1.00 0.00 H new ATOM 869 N LYS A 51 2.929 -7.258 11.630 1.00 0.00 N ATOM 870 CA LYS A 51 1.675 -7.265 12.374 1.00 0.00 C ATOM 871 C LYS A 51 0.520 -6.793 11.497 1.00 0.00 C ATOM 872 O LYS A 51 -0.489 -6.296 11.997 1.00 0.00 O ATOM 873 CB LYS A 51 1.788 -6.372 13.612 1.00 0.00 C ATOM 874 CG LYS A 51 2.662 -6.958 14.707 1.00 0.00 C ATOM 875 CD LYS A 51 1.838 -7.718 15.732 1.00 0.00 C ATOM 876 CE LYS A 51 0.919 -8.732 15.068 1.00 0.00 C ATOM 877 NZ LYS A 51 1.684 -9.835 14.424 1.00 0.00 N ATOM 0 H LYS A 51 3.371 -8.173 11.541 1.00 0.00 H new ATOM 0 HA LYS A 51 1.474 -8.289 12.689 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.192 -5.404 13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.790 -6.192 14.012 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.401 -7.626 14.265 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.212 -6.158 15.202 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.503 -8.229 16.428 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.244 -7.015 16.316 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.239 -9.148 15.812 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.305 -8.231 14.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.204 -10.125 13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.645 -9.506 14.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.738 -10.646 15.073 1.00 0.00 H new ATOM 891 N GLY A 52 0.673 -6.953 10.186 1.00 0.00 N ATOM 892 CA GLY A 52 -0.366 -6.539 9.261 1.00 0.00 C ATOM 893 C GLY A 52 -0.376 -5.040 9.034 1.00 0.00 C ATOM 894 O GLY A 52 -0.594 -4.576 7.915 1.00 0.00 O ATOM 0 H GLY A 52 1.498 -7.362 9.748 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.223 -7.047 8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.337 -6.852 9.646 1.00 0.00 H new ATOM 898 N VAL A 53 -0.143 -4.280 10.099 1.00 0.00 N ATOM 899 CA VAL A 53 -0.127 -2.825 10.011 1.00 0.00 C ATOM 900 C VAL A 53 0.922 -2.346 9.014 1.00 0.00 C ATOM 901 O VAL A 53 2.122 -2.493 9.241 1.00 0.00 O ATOM 902 CB VAL A 53 0.154 -2.182 11.382 1.00 0.00 C ATOM 903 CG1 VAL A 53 -0.281 -0.725 11.389 1.00 0.00 C ATOM 904 CG2 VAL A 53 -0.545 -2.960 12.488 1.00 0.00 C ATOM 0 H VAL A 53 0.037 -4.648 11.033 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.116 -2.519 9.670 1.00 0.00 H new ATOM 0 HB VAL A 53 1.228 -2.216 11.566 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.074 -0.288 12.366 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.269 -0.178 10.623 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.350 -0.663 11.183 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.336 -2.492 13.450 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.620 -2.959 12.310 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.180 -3.987 12.497 1.00 0.00 H new ATOM 914 N ALA A 54 0.460 -1.771 7.908 1.00 0.00 N ATOM 915 CA ALA A 54 1.359 -1.268 6.876 1.00 0.00 C ATOM 916 C ALA A 54 0.881 0.077 6.341 1.00 0.00 C ATOM 917 O ALA A 54 -0.310 0.273 6.098 1.00 0.00 O ATOM 918 CB ALA A 54 1.479 -2.277 5.743 1.00 0.00 C ATOM 0 H ALA A 54 -0.531 -1.642 7.704 1.00 0.00 H new ATOM 0 HA ALA A 54 2.342 -1.123 7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.153 -1.888 4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.874 -3.216 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.496 -2.451 5.305 1.00 0.00 H new ATOM 924 N PHE A 55 1.817 1.003 6.160 1.00 0.00 N ATOM 925 CA PHE A 55 1.491 2.332 5.655 1.00 0.00 C ATOM 926 C PHE A 55 1.911 2.477 4.195 1.00 0.00 C ATOM 927 O PHE A 55 3.075 2.273 3.850 1.00 0.00 O ATOM 928 CB PHE A 55 2.176 3.405 6.503 1.00 0.00 C ATOM 929 CG PHE A 55 1.527 3.616 7.841 1.00 0.00 C ATOM 930 CD1 PHE A 55 1.423 2.573 8.747 1.00 0.00 C ATOM 931 CD2 PHE A 55 1.020 4.857 8.193 1.00 0.00 C ATOM 932 CE1 PHE A 55 0.827 2.763 9.980 1.00 0.00 C ATOM 933 CE2 PHE A 55 0.423 5.053 9.424 1.00 0.00 C ATOM 934 CZ PHE A 55 0.325 4.005 10.318 1.00 0.00 C ATOM 0 H PHE A 55 2.807 0.858 6.356 1.00 0.00 H new ATOM 0 HA PHE A 55 0.411 2.463 5.719 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.219 3.127 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.174 4.347 5.954 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.812 1.600 8.487 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.092 5.680 7.498 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.754 1.942 10.678 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.033 6.025 9.687 1.00 0.00 H new ATOM 0 HZ PHE A 55 -0.143 4.156 11.279 1.00 0.00 H new ATOM 944 N ILE A 56 0.954 2.829 3.343 1.00 0.00 N ATOM 945 CA ILE A 56 1.225 3.002 1.921 1.00 0.00 C ATOM 946 C ILE A 56 1.203 4.476 1.532 1.00 0.00 C ATOM 947 O ILE A 56 0.305 5.221 1.928 1.00 0.00 O ATOM 948 CB ILE A 56 0.202 2.240 1.057 1.00 0.00 C ATOM 949 CG1 ILE A 56 0.148 0.768 1.472 1.00 0.00 C ATOM 950 CG2 ILE A 56 0.555 2.368 -0.418 1.00 0.00 C ATOM 951 CD1 ILE A 56 1.491 0.075 1.419 1.00 0.00 C ATOM 0 H ILE A 56 -0.015 3.000 3.612 1.00 0.00 H new ATOM 0 HA ILE A 56 2.219 2.595 1.738 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.783 2.679 1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.247 0.699 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.550 0.241 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.177 1.824 -1.016 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.548 3.420 -0.704 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.547 1.951 -0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.376 -0.965 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.880 0.112 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.186 0.577 2.091 1.00 0.00 H new ATOM 963 N LEU A 57 2.196 4.892 0.754 1.00 0.00 N ATOM 964 CA LEU A 57 2.291 6.278 0.309 1.00 0.00 C ATOM 965 C LEU A 57 2.018 6.389 -1.188 1.00 0.00 C ATOM 966 O LEU A 57 2.577 5.641 -1.989 1.00 0.00 O ATOM 967 CB LEU A 57 3.675 6.844 0.630 1.00 0.00 C ATOM 968 CG LEU A 57 3.790 8.368 0.645 1.00 0.00 C ATOM 969 CD1 LEU A 57 5.018 8.803 1.430 1.00 0.00 C ATOM 970 CD2 LEU A 57 3.842 8.913 -0.775 1.00 0.00 C ATOM 0 H LEU A 57 2.947 4.289 0.418 1.00 0.00 H new ATOM 0 HA LEU A 57 1.536 6.857 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.982 6.467 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.384 6.453 -0.100 1.00 0.00 H new ATOM 0 HG LEU A 57 2.907 8.775 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.083 9.891 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.940 8.444 2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.912 8.386 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.924 10.000 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.707 8.498 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.932 8.632 -1.306 1.00 0.00 H new ATOM 982 N PHE A 58 1.155 7.331 -1.558 1.00 0.00 N ATOM 983 CA PHE A 58 0.809 7.541 -2.959 1.00 0.00 C ATOM 984 C PHE A 58 1.334 8.887 -3.452 1.00 0.00 C ATOM 985 O PHE A 58 1.440 9.844 -2.685 1.00 0.00 O ATOM 986 CB PHE A 58 -0.708 7.473 -3.147 1.00 0.00 C ATOM 987 CG PHE A 58 -1.286 6.116 -2.864 1.00 0.00 C ATOM 988 CD1 PHE A 58 -1.108 5.516 -1.628 1.00 0.00 C ATOM 989 CD2 PHE A 58 -2.009 5.441 -3.834 1.00 0.00 C ATOM 990 CE1 PHE A 58 -1.639 4.267 -1.365 1.00 0.00 C ATOM 991 CE2 PHE A 58 -2.543 4.191 -3.577 1.00 0.00 C ATOM 992 CZ PHE A 58 -2.358 3.605 -2.341 1.00 0.00 C ATOM 0 H PHE A 58 0.684 7.960 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 58 1.277 6.751 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.181 8.204 -2.492 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.953 7.757 -4.170 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.548 6.030 -0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.157 5.896 -4.802 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.492 3.810 -0.398 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.104 3.675 -4.342 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.775 2.630 -2.137 1.00 0.00 H new ATOM 1002 N LEU A 59 1.662 8.951 -4.738 1.00 0.00 N ATOM 1003 CA LEU A 59 2.176 10.178 -5.336 1.00 0.00 C ATOM 1004 C LEU A 59 1.308 11.374 -4.957 1.00 0.00 C ATOM 1005 O LEU A 59 1.819 12.437 -4.604 1.00 0.00 O ATOM 1006 CB LEU A 59 2.239 10.040 -6.858 1.00 0.00 C ATOM 1007 CG LEU A 59 2.981 11.150 -7.603 1.00 0.00 C ATOM 1008 CD1 LEU A 59 4.483 11.013 -7.406 1.00 0.00 C ATOM 1009 CD2 LEU A 59 2.631 11.126 -9.083 1.00 0.00 C ATOM 0 H LEU A 59 1.581 8.168 -5.386 1.00 0.00 H new ATOM 0 HA LEU A 59 3.182 10.347 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.715 9.089 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.220 9.992 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 59 2.667 12.110 -7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.995 11.811 -7.943 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.718 11.081 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.814 10.048 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.168 11.923 -9.597 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.915 10.164 -9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.558 11.274 -9.206 1.00 0.00 H new ATOM 1021 N ASP A 60 -0.005 11.192 -5.032 1.00 0.00 N ATOM 1022 CA ASP A 60 -0.945 12.255 -4.694 1.00 0.00 C ATOM 1023 C ASP A 60 -2.033 11.740 -3.757 1.00 0.00 C ATOM 1024 O ASP A 60 -2.534 10.627 -3.922 1.00 0.00 O ATOM 1025 CB ASP A 60 -1.577 12.829 -5.963 1.00 0.00 C ATOM 1026 CG ASP A 60 -2.768 13.717 -5.666 1.00 0.00 C ATOM 1027 OD1 ASP A 60 -2.801 14.320 -4.573 1.00 0.00 O ATOM 1028 OD2 ASP A 60 -3.670 13.809 -6.526 1.00 0.00 O ATOM 0 H ASP A 60 -0.443 10.318 -5.324 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.394 13.045 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.829 13.401 -6.511 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.890 12.011 -6.611 1.00 0.00 H new ATOM 1033 N LYS A 61 -2.394 12.556 -2.773 1.00 0.00 N ATOM 1034 CA LYS A 61 -3.423 12.185 -1.809 1.00 0.00 C ATOM 1035 C LYS A 61 -4.725 11.820 -2.516 1.00 0.00 C ATOM 1036 O LYS A 61 -5.447 10.922 -2.082 1.00 0.00 O ATOM 1037 CB LYS A 61 -3.669 13.333 -0.827 1.00 0.00 C ATOM 1038 CG LYS A 61 -4.353 14.535 -1.455 1.00 0.00 C ATOM 1039 CD LYS A 61 -5.866 14.426 -1.365 1.00 0.00 C ATOM 1040 CE LYS A 61 -6.545 15.118 -2.537 1.00 0.00 C ATOM 1041 NZ LYS A 61 -7.992 15.356 -2.278 1.00 0.00 N ATOM 0 H LYS A 61 -1.989 13.480 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.072 11.312 -1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.280 12.969 -0.001 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.715 13.648 -0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.023 15.445 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.055 14.619 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.156 13.375 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.209 14.870 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.050 16.069 -2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.432 14.509 -3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.419 15.829 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.470 14.447 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.100 15.959 -1.437 1.00 0.00 H new ATOM 1055 N ASP A 62 -5.017 12.520 -3.606 1.00 0.00 N ATOM 1056 CA ASP A 62 -6.230 12.267 -4.375 1.00 0.00 C ATOM 1057 C ASP A 62 -6.371 10.782 -4.695 1.00 0.00 C ATOM 1058 O ASP A 62 -7.476 10.238 -4.694 1.00 0.00 O ATOM 1059 CB ASP A 62 -6.219 13.081 -5.669 1.00 0.00 C ATOM 1060 CG ASP A 62 -7.583 13.140 -6.328 1.00 0.00 C ATOM 1061 OD1 ASP A 62 -7.962 12.155 -6.995 1.00 0.00 O ATOM 1062 OD2 ASP A 62 -8.270 14.172 -6.178 1.00 0.00 O ATOM 0 H ASP A 62 -4.430 13.267 -3.977 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.084 12.573 -3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.878 14.094 -5.455 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.502 12.644 -6.364 1.00 0.00 H new ATOM 1067 N SER A 63 -5.245 10.131 -4.969 1.00 0.00 N ATOM 1068 CA SER A 63 -5.243 8.710 -5.295 1.00 0.00 C ATOM 1069 C SER A 63 -5.375 7.862 -4.034 1.00 0.00 C ATOM 1070 O SER A 63 -6.014 6.810 -4.044 1.00 0.00 O ATOM 1071 CB SER A 63 -3.960 8.338 -6.041 1.00 0.00 C ATOM 1072 OG SER A 63 -2.832 8.420 -5.188 1.00 0.00 O ATOM 0 H SER A 63 -4.322 10.565 -4.972 1.00 0.00 H new ATOM 0 HA SER A 63 -6.100 8.509 -5.938 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.047 7.327 -6.438 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.825 9.004 -6.893 1.00 0.00 H new ATOM 0 HG SER A 63 -2.911 9.212 -4.616 1.00 0.00 H new ATOM 1078 N ALA A 64 -4.766 8.329 -2.949 1.00 0.00 N ATOM 1079 CA ALA A 64 -4.817 7.616 -1.678 1.00 0.00 C ATOM 1080 C ALA A 64 -6.256 7.439 -1.205 1.00 0.00 C ATOM 1081 O ALA A 64 -6.693 6.323 -0.924 1.00 0.00 O ATOM 1082 CB ALA A 64 -4.000 8.353 -0.627 1.00 0.00 C ATOM 0 H ALA A 64 -4.232 9.198 -2.924 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.388 6.625 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.047 7.810 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.963 8.422 -0.955 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.404 9.356 -0.489 1.00 0.00 H new ATOM 1088 N GLN A 65 -6.986 8.546 -1.118 1.00 0.00 N ATOM 1089 CA GLN A 65 -8.375 8.512 -0.677 1.00 0.00 C ATOM 1090 C GLN A 65 -9.134 7.376 -1.355 1.00 0.00 C ATOM 1091 O GLN A 65 -9.765 6.556 -0.691 1.00 0.00 O ATOM 1092 CB GLN A 65 -9.059 9.848 -0.974 1.00 0.00 C ATOM 1093 CG GLN A 65 -8.451 11.023 -0.226 1.00 0.00 C ATOM 1094 CD GLN A 65 -8.482 10.837 1.278 1.00 0.00 C ATOM 1095 OE1 GLN A 65 -9.186 9.968 1.793 1.00 0.00 O ATOM 1096 NE2 GLN A 65 -7.717 11.654 1.992 1.00 0.00 N ATOM 0 H GLN A 65 -6.639 9.477 -1.347 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.384 8.339 0.399 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.006 10.043 -2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.115 9.771 -0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -7.419 11.160 -0.550 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.991 11.933 -0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -7.149 12.360 1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.697 11.575 3.009 1.00 0.00 H new ATOM 1105 N ASN A 66 -9.067 7.336 -2.682 1.00 0.00 N ATOM 1106 CA ASN A 66 -9.748 6.301 -3.450 1.00 0.00 C ATOM 1107 C ASN A 66 -9.498 4.922 -2.848 1.00 0.00 C ATOM 1108 O ASN A 66 -10.431 4.240 -2.422 1.00 0.00 O ATOM 1109 CB ASN A 66 -9.280 6.326 -4.907 1.00 0.00 C ATOM 1110 CG ASN A 66 -9.822 5.158 -5.709 1.00 0.00 C ATOM 1111 OD1 ASN A 66 -10.833 4.557 -5.345 1.00 0.00 O ATOM 1112 ND2 ASN A 66 -9.149 4.831 -6.806 1.00 0.00 N ATOM 0 H ASN A 66 -8.548 8.008 -3.247 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.818 6.504 -3.415 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.596 7.260 -5.371 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.191 6.309 -4.936 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.465 4.053 -7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -8.316 5.357 -7.069 1.00 0.00 H new ATOM 1119 N CYS A 67 -8.233 4.518 -2.815 1.00 0.00 N ATOM 1120 CA CYS A 67 -7.858 3.220 -2.265 1.00 0.00 C ATOM 1121 C CYS A 67 -8.391 3.057 -0.845 1.00 0.00 C ATOM 1122 O CYS A 67 -8.897 1.997 -0.477 1.00 0.00 O ATOM 1123 CB CYS A 67 -6.338 3.058 -2.274 1.00 0.00 C ATOM 1124 SG CYS A 67 -5.765 1.431 -1.732 1.00 0.00 S ATOM 0 H CYS A 67 -7.449 5.071 -3.163 1.00 0.00 H new ATOM 0 HA CYS A 67 -8.301 2.446 -2.891 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -5.970 3.243 -3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -5.899 3.819 -1.629 1.00 0.00 H new ATOM 0 HG CYS A 67 -6.157 0.528 -2.581 1.00 0.00 H new ATOM 1130 N THR A 68 -8.272 4.115 -0.049 1.00 0.00 N ATOM 1131 CA THR A 68 -8.738 4.090 1.331 1.00 0.00 C ATOM 1132 C THR A 68 -10.241 3.844 1.399 1.00 0.00 C ATOM 1133 O THR A 68 -10.793 3.607 2.474 1.00 0.00 O ATOM 1134 CB THR A 68 -8.411 5.407 2.059 1.00 0.00 C ATOM 1135 OG1 THR A 68 -7.198 5.965 1.542 1.00 0.00 O ATOM 1136 CG2 THR A 68 -8.272 5.177 3.557 1.00 0.00 C ATOM 0 H THR A 68 -7.856 5.001 -0.337 1.00 0.00 H new ATOM 0 HA THR A 68 -8.216 3.271 1.826 1.00 0.00 H new ATOM 0 HB THR A 68 -9.232 6.104 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.363 6.336 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.041 6.121 4.050 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.207 4.780 3.952 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.468 4.465 3.743 1.00 0.00 H new ATOM 1144 N ARG A 69 -10.899 3.902 0.246 1.00 0.00 N ATOM 1145 CA ARG A 69 -12.339 3.686 0.175 1.00 0.00 C ATOM 1146 C ARG A 69 -12.660 2.413 -0.602 1.00 0.00 C ATOM 1147 O ARG A 69 -13.725 1.821 -0.429 1.00 0.00 O ATOM 1148 CB ARG A 69 -13.024 4.885 -0.483 1.00 0.00 C ATOM 1149 CG ARG A 69 -14.521 4.703 -0.672 1.00 0.00 C ATOM 1150 CD ARG A 69 -15.090 5.734 -1.634 1.00 0.00 C ATOM 1151 NE ARG A 69 -16.532 5.897 -1.472 1.00 0.00 N ATOM 1152 CZ ARG A 69 -17.091 6.498 -0.428 1.00 0.00 C ATOM 1153 NH1 ARG A 69 -16.333 6.992 0.541 1.00 0.00 N ATOM 1154 NH2 ARG A 69 -18.412 6.607 -0.352 1.00 0.00 N ATOM 0 H ARG A 69 -10.457 4.097 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 69 -12.715 3.575 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.848 5.772 0.126 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -12.563 5.068 -1.454 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -14.722 3.701 -1.050 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.023 4.787 0.292 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.596 6.692 -1.472 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.872 5.433 -2.659 1.00 0.00 H new ATOM 0 HE ARG A 69 -17.144 5.529 -2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.318 6.911 0.486 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.765 7.453 1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -18.999 6.229 -1.096 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.840 7.069 0.450 1.00 0.00 H new ATOM 1168 N ALA A 70 -11.733 1.999 -1.459 1.00 0.00 N ATOM 1169 CA ALA A 70 -11.917 0.796 -2.262 1.00 0.00 C ATOM 1170 C ALA A 70 -11.747 -0.460 -1.415 1.00 0.00 C ATOM 1171 O ALA A 70 -12.547 -1.392 -1.502 1.00 0.00 O ATOM 1172 CB ALA A 70 -10.939 0.786 -3.428 1.00 0.00 C ATOM 0 H ALA A 70 -10.847 2.479 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.934 0.802 -2.655 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.087 -0.118 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.110 1.662 -4.054 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.918 0.807 -3.047 1.00 0.00 H new ATOM 1178 N ILE A 71 -10.700 -0.479 -0.597 1.00 0.00 N ATOM 1179 CA ILE A 71 -10.426 -1.622 0.266 1.00 0.00 C ATOM 1180 C ILE A 71 -11.146 -1.486 1.603 1.00 0.00 C ATOM 1181 O ILE A 71 -11.667 -2.462 2.141 1.00 0.00 O ATOM 1182 CB ILE A 71 -8.916 -1.784 0.523 1.00 0.00 C ATOM 1183 CG1 ILE A 71 -8.415 -0.681 1.458 1.00 0.00 C ATOM 1184 CG2 ILE A 71 -8.150 -1.761 -0.791 1.00 0.00 C ATOM 1185 CD1 ILE A 71 -6.922 -0.727 1.700 1.00 0.00 C ATOM 0 H ILE A 71 -10.028 0.284 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.795 -2.506 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.745 -2.747 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -8.677 0.289 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.933 -0.763 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.084 -1.877 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.492 -2.578 -1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.324 -0.811 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.637 0.083 2.371 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.656 -1.683 2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -6.396 -0.614 0.752 1.00 0.00 H new ATOM 1197 N ASN A 72 -11.173 -0.267 2.134 1.00 0.00 N ATOM 1198 CA ASN A 72 -11.831 -0.003 3.408 1.00 0.00 C ATOM 1199 C ASN A 72 -13.089 -0.853 3.557 1.00 0.00 C ATOM 1200 O ASN A 72 -13.916 -0.920 2.649 1.00 0.00 O ATOM 1201 CB ASN A 72 -12.188 1.480 3.524 1.00 0.00 C ATOM 1202 CG ASN A 72 -13.424 1.714 4.370 1.00 0.00 C ATOM 1203 OD1 ASN A 72 -14.528 1.866 3.847 1.00 0.00 O ATOM 1204 ND2 ASN A 72 -13.244 1.743 5.685 1.00 0.00 N ATOM 0 H ASN A 72 -10.747 0.553 1.701 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.139 -0.267 4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.347 2.020 3.958 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.350 1.891 2.527 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.039 1.896 6.305 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.311 1.612 6.075 1.00 0.00 H new ATOM 1211 N ASN A 73 -13.227 -1.500 4.710 1.00 0.00 N ATOM 1212 CA ASN A 73 -14.384 -2.345 4.979 1.00 0.00 C ATOM 1213 C ASN A 73 -14.513 -3.442 3.926 1.00 0.00 C ATOM 1214 O ASN A 73 -15.593 -3.671 3.382 1.00 0.00 O ATOM 1215 CB ASN A 73 -15.660 -1.503 5.014 1.00 0.00 C ATOM 1216 CG ASN A 73 -15.754 -0.646 6.261 1.00 0.00 C ATOM 1217 OD1 ASN A 73 -14.744 -0.156 6.768 1.00 0.00 O ATOM 1218 ND2 ASN A 73 -16.970 -0.460 6.762 1.00 0.00 N ATOM 0 H ASN A 73 -12.551 -1.455 5.473 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.241 -2.815 5.952 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -15.693 -0.862 4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.528 -2.161 4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -17.095 0.108 7.600 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -17.779 -0.885 6.309 1.00 0.00 H new ATOM 1225 N LYS A 74 -13.404 -4.117 3.644 1.00 0.00 N ATOM 1226 CA LYS A 74 -13.391 -5.191 2.657 1.00 0.00 C ATOM 1227 C LYS A 74 -12.568 -6.375 3.153 1.00 0.00 C ATOM 1228 O LYS A 74 -11.631 -6.207 3.933 1.00 0.00 O ATOM 1229 CB LYS A 74 -12.827 -4.684 1.328 1.00 0.00 C ATOM 1230 CG LYS A 74 -13.168 -5.572 0.144 1.00 0.00 C ATOM 1231 CD LYS A 74 -14.594 -5.347 -0.329 1.00 0.00 C ATOM 1232 CE LYS A 74 -14.914 -6.189 -1.555 1.00 0.00 C ATOM 1233 NZ LYS A 74 -14.351 -5.595 -2.799 1.00 0.00 N ATOM 0 H LYS A 74 -12.502 -3.939 4.085 1.00 0.00 H new ATOM 0 HA LYS A 74 -14.418 -5.523 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.208 -3.680 1.140 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -11.743 -4.603 1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -12.476 -5.371 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -13.037 -6.618 0.422 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -15.288 -5.594 0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -14.739 -4.292 -0.563 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -14.514 -7.194 -1.420 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -15.995 -6.287 -1.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.591 -6.198 -3.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.751 -4.646 -2.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -13.317 -5.525 -2.713 1.00 0.00 H new ATOM 1247 N GLN A 75 -12.923 -7.571 2.694 1.00 0.00 N ATOM 1248 CA GLN A 75 -12.216 -8.782 3.091 1.00 0.00 C ATOM 1249 C GLN A 75 -11.216 -9.205 2.020 1.00 0.00 C ATOM 1250 O GLN A 75 -11.601 -9.657 0.941 1.00 0.00 O ATOM 1251 CB GLN A 75 -13.209 -9.915 3.354 1.00 0.00 C ATOM 1252 CG GLN A 75 -14.274 -9.565 4.381 1.00 0.00 C ATOM 1253 CD GLN A 75 -15.280 -10.681 4.582 1.00 0.00 C ATOM 1254 OE1 GLN A 75 -15.799 -11.245 3.619 1.00 0.00 O ATOM 1255 NE2 GLN A 75 -15.562 -11.005 5.839 1.00 0.00 N ATOM 0 H GLN A 75 -13.696 -7.727 2.047 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.669 -8.568 4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -13.695 -10.186 2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.662 -10.794 3.695 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.794 -9.338 5.333 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.797 -8.663 4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.108 -10.511 6.607 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.233 -11.748 6.036 1.00 0.00 H new ATOM 1264 N LEU A 76 -9.932 -9.054 2.324 1.00 0.00 N ATOM 1265 CA LEU A 76 -8.876 -9.420 1.386 1.00 0.00 C ATOM 1266 C LEU A 76 -7.981 -10.508 1.972 1.00 0.00 C ATOM 1267 O LEU A 76 -7.716 -10.528 3.174 1.00 0.00 O ATOM 1268 CB LEU A 76 -8.037 -8.192 1.028 1.00 0.00 C ATOM 1269 CG LEU A 76 -8.668 -7.215 0.034 1.00 0.00 C ATOM 1270 CD1 LEU A 76 -9.675 -6.317 0.735 1.00 0.00 C ATOM 1271 CD2 LEU A 76 -7.593 -6.383 -0.650 1.00 0.00 C ATOM 0 H LEU A 76 -9.597 -8.681 3.212 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.345 -9.808 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.812 -7.650 1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.086 -8.533 0.618 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.194 -7.790 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.114 -5.629 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.461 -6.928 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.173 -5.749 1.518 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.059 -5.693 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.039 -5.817 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.910 -7.041 -1.186 1.00 0.00 H new ATOM 1283 N PHE A 77 -7.516 -11.409 1.113 1.00 0.00 N ATOM 1284 CA PHE A 77 -6.650 -12.500 1.545 1.00 0.00 C ATOM 1285 C PHE A 77 -7.198 -13.165 2.804 1.00 0.00 C ATOM 1286 O PHE A 77 -6.442 -13.680 3.627 1.00 0.00 O ATOM 1287 CB PHE A 77 -5.233 -11.982 1.804 1.00 0.00 C ATOM 1288 CG PHE A 77 -4.501 -11.588 0.553 1.00 0.00 C ATOM 1289 CD1 PHE A 77 -4.980 -10.567 -0.253 1.00 0.00 C ATOM 1290 CD2 PHE A 77 -3.334 -12.237 0.183 1.00 0.00 C ATOM 1291 CE1 PHE A 77 -4.309 -10.203 -1.405 1.00 0.00 C ATOM 1292 CE2 PHE A 77 -2.658 -11.876 -0.967 1.00 0.00 C ATOM 1293 CZ PHE A 77 -3.146 -10.857 -1.762 1.00 0.00 C ATOM 0 H PHE A 77 -7.724 -11.405 0.114 1.00 0.00 H new ATOM 0 HA PHE A 77 -6.619 -13.243 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.286 -11.121 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.662 -12.753 2.322 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.888 -10.050 0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.948 -13.034 0.801 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.694 -9.407 -2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.749 -12.390 -1.244 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.619 -10.572 -2.661 1.00 0.00 H new ATOM 1303 N GLY A 78 -8.520 -13.149 2.946 1.00 0.00 N ATOM 1304 CA GLY A 78 -9.148 -13.753 4.107 1.00 0.00 C ATOM 1305 C GLY A 78 -8.785 -13.044 5.397 1.00 0.00 C ATOM 1306 O GLY A 78 -8.382 -13.680 6.371 1.00 0.00 O ATOM 0 H GLY A 78 -9.167 -12.729 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.230 -13.738 3.980 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.850 -14.799 4.175 1.00 0.00 H new ATOM 1310 N ARG A 79 -8.926 -11.722 5.404 1.00 0.00 N ATOM 1311 CA ARG A 79 -8.607 -10.926 6.583 1.00 0.00 C ATOM 1312 C ARG A 79 -9.111 -9.495 6.425 1.00 0.00 C ATOM 1313 O ARG A 79 -8.533 -8.700 5.684 1.00 0.00 O ATOM 1314 CB ARG A 79 -7.097 -10.923 6.829 1.00 0.00 C ATOM 1315 CG ARG A 79 -6.272 -10.950 5.553 1.00 0.00 C ATOM 1316 CD ARG A 79 -4.817 -11.286 5.838 1.00 0.00 C ATOM 1317 NE ARG A 79 -4.301 -10.552 6.990 1.00 0.00 N ATOM 1318 CZ ARG A 79 -3.267 -10.960 7.718 1.00 0.00 C ATOM 1319 NH1 ARG A 79 -2.642 -12.088 7.414 1.00 0.00 N ATOM 1320 NH2 ARG A 79 -2.857 -10.237 8.753 1.00 0.00 N ATOM 0 H ARG A 79 -9.259 -11.180 4.607 1.00 0.00 H new ATOM 0 HA ARG A 79 -9.107 -11.376 7.441 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.833 -10.035 7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.835 -11.787 7.439 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.688 -11.685 4.865 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.333 -9.980 5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.721 -12.357 6.018 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.213 -11.055 4.961 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.759 -9.679 7.250 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -2.954 -12.646 6.619 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.849 -12.399 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.336 -9.368 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.063 -10.550 9.312 1.00 0.00 H new ATOM 1334 N VAL A 80 -10.194 -9.173 7.127 1.00 0.00 N ATOM 1335 CA VAL A 80 -10.775 -7.837 7.065 1.00 0.00 C ATOM 1336 C VAL A 80 -9.697 -6.764 7.148 1.00 0.00 C ATOM 1337 O VAL A 80 -9.096 -6.552 8.202 1.00 0.00 O ATOM 1338 CB VAL A 80 -11.793 -7.616 8.200 1.00 0.00 C ATOM 1339 CG1 VAL A 80 -12.457 -6.254 8.063 1.00 0.00 C ATOM 1340 CG2 VAL A 80 -12.832 -8.726 8.207 1.00 0.00 C ATOM 0 H VAL A 80 -10.686 -9.819 7.745 1.00 0.00 H new ATOM 0 HA VAL A 80 -11.287 -7.758 6.106 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.262 -7.641 9.151 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.173 -6.115 8.873 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.698 -5.473 8.111 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.976 -6.197 7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.543 -8.554 9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.361 -8.735 7.254 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -12.338 -9.686 8.357 1.00 0.00 H new ATOM 1350 N ILE A 81 -9.455 -6.088 6.029 1.00 0.00 N ATOM 1351 CA ILE A 81 -8.450 -5.034 5.976 1.00 0.00 C ATOM 1352 C ILE A 81 -9.069 -3.668 6.251 1.00 0.00 C ATOM 1353 O ILE A 81 -10.080 -3.300 5.653 1.00 0.00 O ATOM 1354 CB ILE A 81 -7.743 -4.999 4.608 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -7.096 -6.352 4.308 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -6.703 -3.889 4.577 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -6.007 -6.282 3.261 1.00 0.00 C ATOM 0 H ILE A 81 -9.941 -6.252 5.148 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.716 -5.259 6.750 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.486 -4.795 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.678 -6.758 5.229 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.866 -7.048 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.212 -3.877 3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.190 -2.929 4.749 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.961 -4.064 5.356 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -5.593 -7.277 3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.424 -5.906 2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -5.218 -5.612 3.601 1.00 0.00 H new ATOM 1369 N LYS A 82 -8.455 -2.919 7.161 1.00 0.00 N ATOM 1370 CA LYS A 82 -8.943 -1.591 7.514 1.00 0.00 C ATOM 1371 C LYS A 82 -8.090 -0.507 6.864 1.00 0.00 C ATOM 1372 O LYS A 82 -6.861 -0.561 6.908 1.00 0.00 O ATOM 1373 CB LYS A 82 -8.942 -1.413 9.034 1.00 0.00 C ATOM 1374 CG LYS A 82 -9.507 -2.605 9.787 1.00 0.00 C ATOM 1375 CD LYS A 82 -11.016 -2.697 9.633 1.00 0.00 C ATOM 1376 CE LYS A 82 -11.640 -3.524 10.747 1.00 0.00 C ATOM 1377 NZ LYS A 82 -13.032 -3.088 11.048 1.00 0.00 N ATOM 0 H LYS A 82 -7.618 -3.209 7.667 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.964 -1.496 7.143 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.921 -1.233 9.370 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.522 -0.526 9.288 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -9.046 -3.521 9.418 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -9.252 -2.523 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.445 -1.695 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.258 -3.143 8.668 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.643 -4.576 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.030 -3.440 11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.422 -3.676 11.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.027 -2.092 11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.620 -3.192 10.197 1.00 0.00 H new ATOM 1391 N ALA A 83 -8.750 0.478 6.263 1.00 0.00 N ATOM 1392 CA ALA A 83 -8.051 1.577 5.608 1.00 0.00 C ATOM 1393 C ALA A 83 -8.460 2.920 6.203 1.00 0.00 C ATOM 1394 O ALA A 83 -9.647 3.216 6.333 1.00 0.00 O ATOM 1395 CB ALA A 83 -8.322 1.556 4.111 1.00 0.00 C ATOM 0 H ALA A 83 -9.767 0.537 6.216 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.982 1.446 5.775 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.794 2.382 3.634 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.974 0.612 3.691 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.393 1.659 3.934 1.00 0.00 H new ATOM 1401 N SER A 84 -7.468 3.729 6.563 1.00 0.00 N ATOM 1402 CA SER A 84 -7.725 5.039 7.149 1.00 0.00 C ATOM 1403 C SER A 84 -6.580 6.002 6.849 1.00 0.00 C ATOM 1404 O SER A 84 -5.408 5.635 6.935 1.00 0.00 O ATOM 1405 CB SER A 84 -7.920 4.916 8.661 1.00 0.00 C ATOM 1406 OG SER A 84 -6.838 4.225 9.260 1.00 0.00 O ATOM 0 H SER A 84 -6.480 3.500 6.459 1.00 0.00 H new ATOM 0 HA SER A 84 -8.637 5.436 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.010 5.909 9.101 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.852 4.390 8.869 1.00 0.00 H new ATOM 0 HG SER A 84 -6.986 4.161 10.227 1.00 0.00 H new ATOM 1412 N ILE A 85 -6.929 7.235 6.498 1.00 0.00 N ATOM 1413 CA ILE A 85 -5.932 8.251 6.186 1.00 0.00 C ATOM 1414 C ILE A 85 -5.128 8.630 7.426 1.00 0.00 C ATOM 1415 O ILE A 85 -5.625 9.324 8.312 1.00 0.00 O ATOM 1416 CB ILE A 85 -6.583 9.519 5.603 1.00 0.00 C ATOM 1417 CG1 ILE A 85 -7.515 9.154 4.446 1.00 0.00 C ATOM 1418 CG2 ILE A 85 -5.514 10.498 5.140 1.00 0.00 C ATOM 1419 CD1 ILE A 85 -6.786 8.677 3.210 1.00 0.00 C ATOM 0 H ILE A 85 -7.895 7.554 6.423 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.265 7.820 5.440 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.174 9.998 6.384 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.202 8.375 4.776 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.119 10.024 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.990 11.389 4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.886 10.778 5.986 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.899 10.029 4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.509 8.436 2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.119 9.463 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.203 7.788 3.452 1.00 0.00 H new ATOM 1431 N ALA A 86 -3.882 8.171 7.479 1.00 0.00 N ATOM 1432 CA ALA A 86 -3.007 8.465 8.608 1.00 0.00 C ATOM 1433 C ALA A 86 -2.572 9.927 8.598 1.00 0.00 C ATOM 1434 O ALA A 86 -1.768 10.339 7.761 1.00 0.00 O ATOM 1435 CB ALA A 86 -1.792 7.550 8.586 1.00 0.00 C ATOM 0 H ALA A 86 -3.456 7.594 6.754 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.566 8.286 9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.148 7.781 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.117 6.512 8.649 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -1.239 7.701 7.659 1.00 0.00 H new ATOM 1441 N ILE A 87 -3.107 10.705 9.533 1.00 0.00 N ATOM 1442 CA ILE A 87 -2.773 12.120 9.632 1.00 0.00 C ATOM 1443 C ILE A 87 -2.217 12.458 11.011 1.00 0.00 C ATOM 1444 O ILE A 87 -2.514 11.782 11.995 1.00 0.00 O ATOM 1445 CB ILE A 87 -4.000 13.009 9.353 1.00 0.00 C ATOM 1446 CG1 ILE A 87 -5.147 12.643 10.297 1.00 0.00 C ATOM 1447 CG2 ILE A 87 -4.436 12.870 7.902 1.00 0.00 C ATOM 1448 CD1 ILE A 87 -6.266 13.661 10.311 1.00 0.00 C ATOM 0 H ILE A 87 -3.774 10.379 10.233 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.012 12.318 8.877 1.00 0.00 H new ATOM 0 HB ILE A 87 -3.725 14.049 9.531 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.552 11.674 10.005 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.754 12.533 11.308 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -5.304 13.504 7.721 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.620 13.175 7.246 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.697 11.831 7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.044 13.337 11.002 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.875 14.627 10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.686 13.754 9.309 1.00 0.00 H new TER 1460 ILE A 87