USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 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 60 CYS SG : rot -139:sc= -1.76! USER MOD Set 1.2: A 61 GLN : amide:sc= -0.352 K(o=-2.1,f=-6.2!) USER MOD Set 2.1: A 56 THR OG1 : rot -126:sc= 1.4 USER MOD Set 2.2: A 58 ASN : amide:sc= 0.933 K(o=2.3,f=0.056) USER MOD Set 3.1: A 43 THR OG1 : rot -33:sc= 0.127 USER MOD Set 3.2: A 48 LYS NZ :NH3+ -176:sc= -1.01 (180deg=-1.07) USER MOD Set 4.1: A 40 MET CE :methyl -126:sc= -0.961 (180deg=-3.12!) USER MOD Set 4.2: A 42 TYR OH : rot -129:sc= -1.34 USER MOD Set 4.3: A 66 GLN : amide:sc= -0.747 K(o=-3,f=-2.4) USER MOD Set 5.1: A 38 LYS NZ :NH3+ 153:sc= -1.68 (180deg=-2.42!) USER MOD Set 5.2: A 39 ASN : amide:sc= 0.883 K(o=-0.79,f=-6.1!) USER MOD Set 6.1: A 20 TYR OH : rot 22:sc= -3.18! USER MOD Set 6.2: A 29 LYS NZ :NH3+ 179:sc= -0.45 (180deg=-1.34) USER MOD Set 7.1: A 18 TYR OH : rot 180:sc= -3.81! USER MOD Set 7.2: A 19 HIS : no HE2:sc= -0.546 X(o=-4.4,f=-4.2) USER MOD Single : A 1 MET CE :methyl -168:sc= 0 (180deg=-0.0162) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= 0.704 (180deg=0.688) USER MOD Single : A 12 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.1!) USER MOD Single : A 14 LYS NZ :NH3+ -150:sc= -3.78! (180deg=-4.23!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0366 USER MOD Single : A 23 SER OG : rot -110:sc= -1.67! USER MOD Single : A 35 SER OG : rot 170:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.977! C(o=-0.98!,f=-1.3!) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.697 K(o=-0.7,f=-2.7!) USER MOD Single : A 53 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.59) USER MOD Single : A 54 LYS NZ :NH3+ 155:sc= 0.0719 (180deg=-0.623) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 150:sc= -3.27! USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= -3.17! (180deg=-3.31!) USER MOD Single : A 68 CYS SG : rot 180:sc= -2.38! USER MOD Single : A 73 MET CE :methyl 171:sc= -1.25 (180deg=-1.38) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0149 USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= -5.67! (180deg=-5.73!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.409 5.567 0.143 1.00 0.00 N ATOM 2 CA MET A 1 19.138 5.125 0.757 1.00 0.00 C ATOM 3 C MET A 1 17.974 6.133 0.603 1.00 0.00 C ATOM 4 O MET A 1 18.131 7.307 0.963 1.00 0.00 O ATOM 5 CB MET A 1 19.402 4.792 2.241 1.00 0.00 C ATOM 6 CG MET A 1 18.169 4.262 2.996 1.00 0.00 C ATOM 7 SD MET A 1 17.433 2.749 2.273 1.00 0.00 S ATOM 8 CE MET A 1 15.962 2.614 3.269 1.00 0.00 C ATOM 0 H1 MET A 1 21.137 4.839 0.289 1.00 0.00 H new ATOM 0 H2 MET A 1 20.268 5.717 -0.877 1.00 0.00 H new ATOM 0 H3 MET A 1 20.717 6.457 0.584 1.00 0.00 H new ATOM 0 HA MET A 1 18.802 4.239 0.218 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.197 4.049 2.299 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.765 5.688 2.744 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.451 4.057 4.029 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.410 5.044 3.022 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.505 1.637 3.112 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.223 2.727 4.321 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.257 3.395 2.984 1.00 0.00 H new ATOM 9 N PRO A 2 16.851 5.694 0.015 1.00 0.00 N ATOM 10 CA PRO A 2 15.600 6.485 -0.030 1.00 0.00 C ATOM 11 C PRO A 2 15.063 6.728 1.391 1.00 0.00 C ATOM 12 O PRO A 2 14.861 5.786 2.153 1.00 0.00 O ATOM 13 CB PRO A 2 14.618 5.623 -0.830 1.00 0.00 C ATOM 14 CG PRO A 2 15.538 4.843 -1.766 1.00 0.00 C ATOM 15 CD PRO A 2 16.757 4.540 -0.897 1.00 0.00 C ATOM 0 HA PRO A 2 15.752 7.466 -0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.042 4.960 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 2 13.902 6.232 -1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.064 3.929 -2.125 1.00 0.00 H new ATOM 0 HG3 PRO A 2 15.807 5.429 -2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.631 3.608 -0.347 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.659 4.435 -1.500 1.00 0.00 H new ATOM 16 N ARG A 3 14.985 8.005 1.750 1.00 0.00 N ATOM 17 CA ARG A 3 14.385 8.443 3.028 1.00 0.00 C ATOM 18 C ARG A 3 12.884 8.106 3.107 1.00 0.00 C ATOM 19 O ARG A 3 12.155 8.207 2.119 1.00 0.00 O ATOM 20 CB ARG A 3 14.585 9.935 3.266 1.00 0.00 C ATOM 21 CG ARG A 3 16.035 10.285 3.626 1.00 0.00 C ATOM 22 CD ARG A 3 16.740 11.087 2.518 1.00 0.00 C ATOM 23 NE ARG A 3 17.059 10.251 1.350 1.00 0.00 N ATOM 24 CZ ARG A 3 16.501 10.318 0.141 1.00 0.00 C ATOM 25 NH1 ARG A 3 15.511 11.155 -0.148 1.00 0.00 N ATOM 26 NH2 ARG A 3 17.019 9.610 -0.850 1.00 0.00 N ATOM 0 H ARG A 3 15.331 8.772 1.173 1.00 0.00 H new ATOM 0 HA ARG A 3 14.906 7.891 3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.294 10.484 2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.926 10.263 4.070 1.00 0.00 H new ATOM 0 HG2 ARG A 3 16.047 10.861 4.551 1.00 0.00 H new ATOM 0 HG3 ARG A 3 16.591 9.367 3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.102 11.915 2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 3 17.658 11.522 2.914 1.00 0.00 H new ATOM 0 HE ARG A 3 17.784 9.545 1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.147 11.782 0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 3 15.115 11.171 -1.088 1.00 0.00 H new ATOM 0 HH21 ARG A 3 17.836 9.022 -0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 3 16.601 9.652 -1.780 1.00 0.00 H new ATOM 27 N VAL A 4 12.470 7.762 4.321 1.00 0.00 N ATOM 28 CA VAL A 4 11.085 7.353 4.635 1.00 0.00 C ATOM 29 C VAL A 4 10.129 8.558 4.591 1.00 0.00 C ATOM 30 O VAL A 4 10.158 9.433 5.469 1.00 0.00 O ATOM 31 CB VAL A 4 11.016 6.598 5.987 1.00 0.00 C ATOM 32 CG1 VAL A 4 9.595 6.138 6.324 1.00 0.00 C ATOM 33 CG2 VAL A 4 11.920 5.359 5.982 1.00 0.00 C ATOM 0 H VAL A 4 13.087 7.756 5.133 1.00 0.00 H new ATOM 0 HA VAL A 4 10.754 6.655 3.866 1.00 0.00 H new ATOM 0 HB VAL A 4 11.354 7.311 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.599 5.614 7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.937 7.005 6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.235 5.467 5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.848 4.852 6.944 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.603 4.680 5.190 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.952 5.662 5.808 1.00 0.00 H new ATOM 34 N TYR A 5 9.541 8.716 3.422 1.00 0.00 N ATOM 35 CA TYR A 5 8.393 9.615 3.200 1.00 0.00 C ATOM 36 C TYR A 5 7.202 8.806 2.626 1.00 0.00 C ATOM 37 O TYR A 5 6.689 7.947 3.336 1.00 0.00 O ATOM 38 CB TYR A 5 8.714 10.837 2.324 1.00 0.00 C ATOM 39 CG TYR A 5 10.128 11.432 2.436 1.00 0.00 C ATOM 40 CD1 TYR A 5 10.367 12.400 3.434 1.00 0.00 C ATOM 41 CD2 TYR A 5 10.999 11.252 1.345 1.00 0.00 C ATOM 42 CE1 TYR A 5 11.490 13.243 3.316 1.00 0.00 C ATOM 43 CE2 TYR A 5 12.122 12.095 1.218 1.00 0.00 C ATOM 44 CZ TYR A 5 12.346 13.078 2.204 1.00 0.00 C ATOM 45 OH TYR A 5 13.425 13.895 2.077 1.00 0.00 O ATOM 0 H TYR A 5 9.840 8.224 2.580 1.00 0.00 H new ATOM 0 HA TYR A 5 8.124 10.029 4.172 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.546 10.560 1.283 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.997 11.622 2.564 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.698 12.494 4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.810 10.479 0.615 1.00 0.00 H new ATOM 0 HE1 TYR A 5 11.692 13.999 4.060 1.00 0.00 H new ATOM 0 HE2 TYR A 5 12.797 11.990 0.382 1.00 0.00 H new ATOM 0 HH TYR A 5 13.919 13.660 1.264 1.00 0.00 H new ATOM 46 N LYS A 6 6.818 9.020 1.360 1.00 0.00 N ATOM 47 CA LYS A 6 5.647 8.341 0.755 1.00 0.00 C ATOM 48 C LYS A 6 5.759 7.628 -0.596 1.00 0.00 C ATOM 49 O LYS A 6 5.934 6.428 -0.476 1.00 0.00 O ATOM 50 CB LYS A 6 4.359 9.041 1.130 1.00 0.00 C ATOM 51 CG LYS A 6 4.305 10.577 1.011 1.00 0.00 C ATOM 52 CD LYS A 6 4.869 11.387 2.191 1.00 0.00 C ATOM 53 CE LYS A 6 4.948 12.878 1.851 1.00 0.00 C ATOM 54 NZ LYS A 6 5.990 13.135 0.844 1.00 0.00 N ATOM 0 H LYS A 6 7.299 9.659 0.727 1.00 0.00 H new ATOM 0 HA LYS A 6 5.622 7.365 1.240 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.563 8.630 0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.125 8.778 2.162 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.847 10.867 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.265 10.870 0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.238 11.244 3.068 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.861 11.017 2.448 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.983 13.221 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.161 13.450 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.117 14.161 0.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.886 12.707 1.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.704 12.719 -0.065 1.00 0.00 H new ATOM 55 N PRO A 7 5.411 8.081 -1.815 1.00 0.00 N ATOM 56 CA PRO A 7 4.243 8.856 -2.227 1.00 0.00 C ATOM 57 C PRO A 7 2.928 8.086 -2.206 1.00 0.00 C ATOM 58 O PRO A 7 1.958 8.489 -2.822 1.00 0.00 O ATOM 59 CB PRO A 7 4.521 9.268 -3.655 1.00 0.00 C ATOM 60 CG PRO A 7 5.500 8.234 -4.201 1.00 0.00 C ATOM 61 CD PRO A 7 6.334 7.967 -2.940 1.00 0.00 C ATOM 0 HA PRO A 7 4.113 9.681 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.603 9.286 -4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.947 10.271 -3.697 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.999 7.338 -4.567 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.101 8.622 -5.024 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.787 6.976 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.148 8.686 -2.851 1.00 0.00 H new ATOM 62 N CYS A 8 2.831 7.263 -1.180 1.00 0.00 N ATOM 63 CA CYS A 8 2.330 5.884 -1.323 1.00 0.00 C ATOM 64 C CYS A 8 1.322 5.240 -0.365 1.00 0.00 C ATOM 65 O CYS A 8 0.435 4.560 -0.878 1.00 0.00 O ATOM 66 CB CYS A 8 3.576 5.050 -1.455 1.00 0.00 C ATOM 67 SG CYS A 8 4.403 5.050 -3.069 1.00 0.00 S ATOM 0 H CYS A 8 3.091 7.515 -0.227 1.00 0.00 H new ATOM 0 HA CYS A 8 1.648 5.936 -2.172 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.292 5.392 -0.708 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.322 4.020 -1.205 1.00 0.00 H new ATOM 68 N PHE A 9 1.340 5.400 0.957 1.00 0.00 N ATOM 69 CA PHE A 9 2.265 6.211 1.760 1.00 0.00 C ATOM 70 C PHE A 9 3.589 5.538 2.239 1.00 0.00 C ATOM 71 O PHE A 9 4.472 6.197 2.764 1.00 0.00 O ATOM 72 CB PHE A 9 1.495 6.945 2.869 1.00 0.00 C ATOM 73 CG PHE A 9 2.245 7.835 3.847 1.00 0.00 C ATOM 74 CD1 PHE A 9 2.852 7.334 5.012 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.061 9.226 3.667 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.264 8.223 6.025 1.00 0.00 C ATOM 77 CE2 PHE A 9 2.490 10.128 4.650 1.00 0.00 C ATOM 78 CZ PHE A 9 3.058 9.616 5.834 1.00 0.00 C ATOM 0 H PHE A 9 0.653 4.929 1.546 1.00 0.00 H new ATOM 0 HA PHE A 9 2.673 6.943 1.063 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.736 7.560 2.386 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.969 6.190 3.454 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.002 6.271 5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.588 9.594 2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.727 7.853 6.928 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.388 11.193 4.503 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.345 10.301 6.618 1.00 0.00 H new ATOM 79 N VAL A 10 3.834 4.333 1.749 1.00 0.00 N ATOM 80 CA VAL A 10 4.915 3.467 2.267 1.00 0.00 C ATOM 81 C VAL A 10 5.892 2.803 1.261 1.00 0.00 C ATOM 82 O VAL A 10 6.479 1.753 1.494 1.00 0.00 O ATOM 83 CB VAL A 10 4.204 2.530 3.227 1.00 0.00 C ATOM 84 CG1 VAL A 10 3.959 1.049 2.945 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.755 3.020 4.616 1.00 0.00 C ATOM 0 H VAL A 10 3.300 3.917 0.986 1.00 0.00 H new ATOM 0 HA VAL A 10 5.674 4.079 2.755 1.00 0.00 H new ATOM 0 HB VAL A 10 4.013 2.931 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.432 0.601 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.356 0.945 2.043 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.914 0.543 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.267 2.204 5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.624 3.355 5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.055 3.848 4.501 1.00 0.00 H new ATOM 86 N CYS A 11 5.898 3.364 0.056 1.00 0.00 N ATOM 87 CA CYS A 11 6.655 2.862 -1.117 1.00 0.00 C ATOM 88 C CYS A 11 7.469 3.928 -1.905 1.00 0.00 C ATOM 89 O CYS A 11 7.491 3.899 -3.128 1.00 0.00 O ATOM 90 CB CYS A 11 5.630 2.001 -1.889 1.00 0.00 C ATOM 91 SG CYS A 11 5.571 1.884 -3.721 1.00 0.00 S ATOM 0 H CYS A 11 5.364 4.208 -0.152 1.00 0.00 H new ATOM 0 HA CYS A 11 7.510 2.249 -0.834 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.748 0.982 -1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.644 2.342 -1.572 1.00 0.00 H new ATOM 92 N GLN A 12 8.232 4.887 -1.376 1.00 0.00 N ATOM 93 CA GLN A 12 8.612 5.289 -0.001 1.00 0.00 C ATOM 94 C GLN A 12 9.053 6.788 0.076 1.00 0.00 C ATOM 95 O GLN A 12 9.576 7.248 1.088 1.00 0.00 O ATOM 96 CB GLN A 12 9.645 4.344 0.603 1.00 0.00 C ATOM 97 CG GLN A 12 9.832 4.497 2.115 1.00 0.00 C ATOM 98 CD GLN A 12 8.550 4.241 2.910 1.00 0.00 C ATOM 99 OE1 GLN A 12 8.288 3.139 3.373 1.00 0.00 O ATOM 100 NE2 GLN A 12 7.728 5.257 3.133 1.00 0.00 N ATOM 0 H GLN A 12 8.688 5.526 -2.027 1.00 0.00 H new ATOM 0 HA GLN A 12 7.716 5.203 0.614 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.350 3.317 0.387 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.604 4.511 0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.604 3.805 2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.190 5.504 2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.940 6.178 2.750 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.883 5.117 3.688 1.00 0.00 H new ATOM 101 N ASP A 13 8.620 7.648 -0.866 1.00 0.00 N ATOM 102 CA ASP A 13 9.205 9.007 -1.039 1.00 0.00 C ATOM 103 C ASP A 13 8.340 10.264 -1.356 1.00 0.00 C ATOM 104 O ASP A 13 7.840 10.855 -0.412 1.00 0.00 O ATOM 105 CB ASP A 13 10.496 8.983 -1.896 1.00 0.00 C ATOM 106 CG ASP A 13 10.379 8.100 -3.139 1.00 0.00 C ATOM 107 OD1 ASP A 13 9.695 8.571 -4.072 1.00 0.00 O ATOM 108 OD2 ASP A 13 10.833 6.945 -3.062 1.00 0.00 O ATOM 0 H ASP A 13 7.869 7.433 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 13 9.394 9.207 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.739 10.000 -2.203 1.00 0.00 H new ATOM 0 HB3 ASP A 13 11.324 8.628 -1.283 1.00 0.00 H new ATOM 109 N LYS A 14 8.088 10.649 -2.614 1.00 0.00 N ATOM 110 CA LYS A 14 7.414 11.935 -2.936 1.00 0.00 C ATOM 111 C LYS A 14 5.889 11.982 -2.595 1.00 0.00 C ATOM 112 O LYS A 14 5.569 11.516 -1.505 1.00 0.00 O ATOM 113 CB LYS A 14 7.709 12.200 -4.409 1.00 0.00 C ATOM 114 CG LYS A 14 7.881 13.698 -4.675 1.00 0.00 C ATOM 115 CD LYS A 14 7.465 14.106 -6.093 1.00 0.00 C ATOM 116 CE LYS A 14 5.953 13.940 -6.334 1.00 0.00 C ATOM 117 NZ LYS A 14 5.197 14.699 -5.317 1.00 0.00 N ATOM 0 H LYS A 14 8.337 10.095 -3.433 1.00 0.00 H new ATOM 0 HA LYS A 14 7.808 12.727 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.614 11.669 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.897 11.809 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.289 14.260 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.924 13.973 -4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.745 15.145 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.013 13.503 -6.817 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.694 14.294 -7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.682 12.885 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.287 14.229 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.746 14.738 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.026 15.665 -5.661 1.00 0.00 H new ATOM 118 N SER A 15 4.979 12.715 -3.273 1.00 0.00 N ATOM 119 CA SER A 15 3.487 12.540 -3.109 1.00 0.00 C ATOM 120 C SER A 15 2.638 12.631 -4.383 1.00 0.00 C ATOM 121 O SER A 15 2.674 13.628 -5.107 1.00 0.00 O ATOM 122 CB SER A 15 2.929 13.300 -1.913 1.00 0.00 C ATOM 123 OG SER A 15 3.043 14.715 -2.093 1.00 0.00 O ATOM 0 H SER A 15 5.235 13.439 -3.944 1.00 0.00 H new ATOM 0 HA SER A 15 3.381 11.482 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.882 13.034 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.462 13.003 -1.010 1.00 0.00 H new ATOM 0 HG SER A 15 2.675 15.175 -1.310 1.00 0.00 H new ATOM 124 N SER A 16 1.722 11.678 -4.517 1.00 0.00 N ATOM 125 CA SER A 16 0.964 11.524 -5.782 1.00 0.00 C ATOM 126 C SER A 16 -0.553 11.808 -5.696 1.00 0.00 C ATOM 127 O SER A 16 -1.396 10.921 -5.843 1.00 0.00 O ATOM 128 CB SER A 16 1.219 10.132 -6.363 1.00 0.00 C ATOM 129 OG SER A 16 2.623 9.871 -6.476 1.00 0.00 O ATOM 0 H SER A 16 1.480 11.006 -3.789 1.00 0.00 H new ATOM 0 HA SER A 16 1.344 12.303 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.756 9.378 -5.727 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.751 10.052 -7.344 1.00 0.00 H new ATOM 0 HG SER A 16 2.760 8.975 -6.848 1.00 0.00 H new ATOM 130 N GLY A 17 -0.885 13.092 -5.469 1.00 0.00 N ATOM 131 CA GLY A 17 -2.288 13.579 -5.510 1.00 0.00 C ATOM 132 C GLY A 17 -2.592 14.891 -4.751 1.00 0.00 C ATOM 133 O GLY A 17 -1.908 15.886 -4.964 1.00 0.00 O ATOM 0 H GLY A 17 -0.202 13.818 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.569 13.717 -6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.931 12.797 -5.107 1.00 0.00 H new ATOM 134 N TYR A 18 -3.484 14.883 -3.753 1.00 0.00 N ATOM 135 CA TYR A 18 -4.031 13.651 -3.148 1.00 0.00 C ATOM 136 C TYR A 18 -5.546 13.300 -3.239 1.00 0.00 C ATOM 137 O TYR A 18 -6.370 14.115 -3.640 1.00 0.00 O ATOM 138 CB TYR A 18 -3.476 13.395 -1.729 1.00 0.00 C ATOM 139 CG TYR A 18 -3.072 11.914 -1.581 1.00 0.00 C ATOM 140 CD1 TYR A 18 -2.516 11.317 -2.733 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.840 11.120 -0.678 1.00 0.00 C ATOM 142 CE1 TYR A 18 -2.964 10.071 -3.159 1.00 0.00 C ATOM 143 CE2 TYR A 18 -4.218 9.819 -1.045 1.00 0.00 C ATOM 144 CZ TYR A 18 -3.825 9.336 -2.306 1.00 0.00 C ATOM 145 OH TYR A 18 -4.500 8.272 -2.800 1.00 0.00 O ATOM 0 H TYR A 18 -3.853 15.737 -3.335 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.640 12.938 -3.874 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.614 14.036 -1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.228 13.652 -0.983 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.741 11.829 -3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.129 11.518 0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.663 9.673 -4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.798 9.203 -0.374 1.00 0.00 H new ATOM 0 HH TYR A 18 -5.047 7.874 -2.091 1.00 0.00 H new ATOM 146 N HIS A 19 -5.793 12.002 -3.047 1.00 0.00 N ATOM 147 CA HIS A 19 -7.093 11.314 -3.094 1.00 0.00 C ATOM 148 C HIS A 19 -7.644 11.088 -1.656 1.00 0.00 C ATOM 149 O HIS A 19 -7.954 12.071 -0.985 1.00 0.00 O ATOM 150 CB HIS A 19 -6.889 9.988 -3.865 1.00 0.00 C ATOM 151 CG HIS A 19 -6.240 10.169 -5.243 1.00 0.00 C ATOM 152 ND1 HIS A 19 -6.431 11.185 -6.070 1.00 0.00 N ATOM 153 CD2 HIS A 19 -5.104 9.579 -5.606 1.00 0.00 C ATOM 154 CE1 HIS A 19 -5.398 11.270 -6.899 1.00 0.00 C ATOM 155 NE2 HIS A 19 -4.570 10.286 -6.591 1.00 0.00 N ATOM 0 H HIS A 19 -5.035 11.352 -2.839 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.839 11.917 -3.611 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.269 9.321 -3.266 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.855 9.498 -3.990 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -7.242 11.803 -6.070 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.690 8.681 -5.173 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.260 12.005 -7.678 1.00 0.00 H new ATOM 156 N TYR A 20 -7.514 9.883 -1.094 1.00 0.00 N ATOM 157 CA TYR A 20 -8.159 9.534 0.191 1.00 0.00 C ATOM 158 C TYR A 20 -7.271 9.357 1.435 1.00 0.00 C ATOM 159 O TYR A 20 -6.562 8.355 1.558 1.00 0.00 O ATOM 160 CB TYR A 20 -9.152 8.366 0.066 1.00 0.00 C ATOM 161 CG TYR A 20 -8.792 7.210 -0.877 1.00 0.00 C ATOM 162 CD1 TYR A 20 -7.553 6.518 -0.773 1.00 0.00 C ATOM 163 CD2 TYR A 20 -9.636 7.055 -2.005 1.00 0.00 C ATOM 164 CE1 TYR A 20 -7.141 5.684 -1.826 1.00 0.00 C ATOM 165 CE2 TYR A 20 -9.253 6.182 -3.036 1.00 0.00 C ATOM 166 CZ TYR A 20 -8.018 5.501 -2.913 1.00 0.00 C ATOM 167 OH TYR A 20 -7.685 4.552 -3.817 1.00 0.00 O ATOM 0 H TYR A 20 -6.968 9.125 -1.504 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.693 10.462 0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.304 7.949 1.062 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.109 8.775 -0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.936 6.633 0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.564 7.603 -2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.178 5.196 -1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.884 6.034 -3.900 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.074 3.906 -3.404 1.00 0.00 H new ATOM 168 N GLY A 21 -7.190 10.429 2.225 1.00 0.00 N ATOM 169 CA GLY A 21 -6.772 10.426 3.652 1.00 0.00 C ATOM 170 C GLY A 21 -5.267 10.324 3.979 1.00 0.00 C ATOM 171 O GLY A 21 -4.812 10.796 5.018 1.00 0.00 O ATOM 0 H GLY A 21 -7.420 11.364 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.149 11.340 4.110 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.275 9.593 4.143 1.00 0.00 H new ATOM 172 N VAL A 22 -4.533 9.726 3.046 1.00 0.00 N ATOM 173 CA VAL A 22 -3.093 9.414 3.121 1.00 0.00 C ATOM 174 C VAL A 22 -2.344 10.330 2.134 1.00 0.00 C ATOM 175 O VAL A 22 -2.646 11.505 1.981 1.00 0.00 O ATOM 176 CB VAL A 22 -3.027 7.883 2.878 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.515 7.456 1.501 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.702 7.188 2.805 1.00 0.00 C ATOM 0 H VAL A 22 -4.943 9.425 2.162 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.593 9.616 4.068 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.605 7.614 3.762 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.438 6.373 1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.554 7.758 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.902 7.931 0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.859 6.124 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.116 7.608 1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.166 7.327 3.744 1.00 0.00 H new ATOM 179 N SER A 23 -1.220 9.812 1.693 1.00 0.00 N ATOM 180 CA SER A 23 -0.615 10.124 0.390 1.00 0.00 C ATOM 181 C SER A 23 -0.330 8.803 -0.298 1.00 0.00 C ATOM 182 O SER A 23 0.107 7.845 0.332 1.00 0.00 O ATOM 183 CB SER A 23 0.654 10.933 0.473 1.00 0.00 C ATOM 184 OG SER A 23 0.900 11.377 -0.869 1.00 0.00 O ATOM 0 H SER A 23 -0.676 9.142 2.236 1.00 0.00 H new ATOM 0 HA SER A 23 -1.318 10.745 -0.165 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.540 11.777 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.482 10.331 0.848 1.00 0.00 H new ATOM 0 HG SER A 23 1.685 10.913 -1.229 1.00 0.00 H new ATOM 185 N ALA A 24 -0.983 8.646 -1.437 1.00 0.00 N ATOM 186 CA ALA A 24 -0.831 7.446 -2.254 1.00 0.00 C ATOM 187 C ALA A 24 -0.375 7.640 -3.703 1.00 0.00 C ATOM 188 O ALA A 24 -0.906 8.471 -4.435 1.00 0.00 O ATOM 189 CB ALA A 24 -2.062 6.517 -2.203 1.00 0.00 C ATOM 0 H ALA A 24 -1.628 9.337 -1.822 1.00 0.00 H new ATOM 0 HA ALA A 24 0.012 6.962 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.885 5.644 -2.831 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.233 6.196 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.938 7.054 -2.566 1.00 0.00 H new ATOM 190 N CYS A 25 0.302 6.593 -4.140 1.00 0.00 N ATOM 191 CA CYS A 25 1.280 6.596 -5.244 1.00 0.00 C ATOM 192 C CYS A 25 0.653 6.658 -6.667 1.00 0.00 C ATOM 193 O CYS A 25 1.349 6.654 -7.672 1.00 0.00 O ATOM 194 CB CYS A 25 1.956 5.252 -5.148 1.00 0.00 C ATOM 195 SG CYS A 25 3.191 4.609 -6.336 1.00 0.00 S ATOM 0 H CYS A 25 0.189 5.669 -3.724 1.00 0.00 H new ATOM 0 HA CYS A 25 1.916 7.475 -5.139 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.440 5.230 -4.172 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.154 4.515 -5.122 1.00 0.00 H new ATOM 196 N GLU A 26 -0.654 6.916 -6.670 1.00 0.00 N ATOM 197 CA GLU A 26 -1.598 6.843 -7.810 1.00 0.00 C ATOM 198 C GLU A 26 -1.706 5.402 -8.332 1.00 0.00 C ATOM 199 O GLU A 26 -2.760 4.794 -8.205 1.00 0.00 O ATOM 200 CB GLU A 26 -1.271 7.861 -8.906 1.00 0.00 C ATOM 201 CG GLU A 26 -1.817 9.249 -8.548 1.00 0.00 C ATOM 202 CD GLU A 26 -1.380 10.315 -9.544 1.00 0.00 C ATOM 203 OE1 GLU A 26 -0.281 10.871 -9.331 1.00 0.00 O ATOM 204 OE2 GLU A 26 -2.158 10.563 -10.488 1.00 0.00 O ATOM 0 H GLU A 26 -1.128 7.205 -5.814 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.586 7.126 -7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.191 7.916 -9.046 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.699 7.531 -9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.906 9.211 -8.514 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.476 9.525 -7.550 1.00 0.00 H new ATOM 205 N GLY A 27 -0.523 4.823 -8.553 1.00 0.00 N ATOM 206 CA GLY A 27 -0.296 3.373 -8.636 1.00 0.00 C ATOM 207 C GLY A 27 -0.876 2.669 -7.403 1.00 0.00 C ATOM 208 O GLY A 27 -1.740 1.815 -7.564 1.00 0.00 O ATOM 0 H GLY A 27 0.331 5.365 -8.683 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.759 2.977 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.772 3.169 -8.710 1.00 0.00 H new ATOM 209 N CYS A 28 -0.599 3.197 -6.197 1.00 0.00 N ATOM 210 CA CYS A 28 -1.197 2.644 -4.979 1.00 0.00 C ATOM 211 C CYS A 28 -2.718 2.780 -4.878 1.00 0.00 C ATOM 212 O CYS A 28 -3.323 1.767 -4.590 1.00 0.00 O ATOM 213 CB CYS A 28 -0.588 3.023 -3.633 1.00 0.00 C ATOM 214 SG CYS A 28 1.164 2.527 -3.385 1.00 0.00 S ATOM 0 H CYS A 28 0.024 3.991 -6.045 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.925 1.602 -5.150 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.661 4.104 -3.513 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.189 2.573 -2.843 1.00 0.00 H new ATOM 215 N LYS A 29 -3.309 3.911 -5.231 1.00 0.00 N ATOM 216 CA LYS A 29 -4.800 4.023 -5.237 1.00 0.00 C ATOM 217 C LYS A 29 -5.435 3.011 -6.218 1.00 0.00 C ATOM 218 O LYS A 29 -6.418 2.344 -5.891 1.00 0.00 O ATOM 219 CB LYS A 29 -5.284 5.463 -5.425 1.00 0.00 C ATOM 220 CG LYS A 29 -5.519 6.058 -6.835 1.00 0.00 C ATOM 221 CD LYS A 29 -6.781 5.597 -7.587 1.00 0.00 C ATOM 222 CE LYS A 29 -8.142 5.902 -6.943 1.00 0.00 C ATOM 223 NZ LYS A 29 -8.747 4.689 -6.373 1.00 0.00 N ATOM 0 H LYS A 29 -2.814 4.757 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.156 3.745 -4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.224 5.555 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.562 6.108 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.557 7.143 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.652 5.821 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.768 6.053 -8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.711 4.519 -7.731 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.017 6.651 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.812 6.329 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.657 4.930 -5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.903 3.991 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.109 4.287 -5.656 1.00 0.00 H new ATOM 224 N GLY A 30 -4.801 2.850 -7.391 1.00 0.00 N ATOM 225 CA GLY A 30 -5.125 1.820 -8.407 1.00 0.00 C ATOM 226 C GLY A 30 -5.077 0.415 -7.789 1.00 0.00 C ATOM 227 O GLY A 30 -6.119 -0.202 -7.590 1.00 0.00 O ATOM 0 H GLY A 30 -4.024 3.448 -7.673 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.116 2.008 -8.819 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.418 1.883 -9.235 1.00 0.00 H new ATOM 228 N PHE A 31 -3.906 0.103 -7.233 1.00 0.00 N ATOM 229 CA PHE A 31 -3.634 -1.126 -6.451 1.00 0.00 C ATOM 230 C PHE A 31 -4.625 -1.382 -5.301 1.00 0.00 C ATOM 231 O PHE A 31 -4.976 -2.525 -5.029 1.00 0.00 O ATOM 232 CB PHE A 31 -2.193 -0.976 -5.961 1.00 0.00 C ATOM 233 CG PHE A 31 -1.742 -1.833 -4.777 1.00 0.00 C ATOM 234 CD1 PHE A 31 -2.005 -1.333 -3.471 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.245 -3.141 -4.954 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.858 -2.162 -2.364 1.00 0.00 C ATOM 237 CE2 PHE A 31 -1.058 -3.965 -3.825 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.408 -3.486 -2.541 1.00 0.00 C ATOM 0 H PHE A 31 -3.090 0.710 -7.311 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.767 -2.009 -7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.531 -1.192 -6.800 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.039 0.069 -5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.319 -0.308 -3.339 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.010 -3.507 -5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.087 -1.794 -1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.649 -4.958 -3.940 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.330 -4.142 -1.687 1.00 0.00 H new ATOM 239 N PHE A 32 -5.102 -0.304 -4.708 1.00 0.00 N ATOM 240 CA PHE A 32 -5.839 -0.314 -3.431 1.00 0.00 C ATOM 241 C PHE A 32 -7.259 -0.787 -3.757 1.00 0.00 C ATOM 242 O PHE A 32 -7.655 -1.863 -3.322 1.00 0.00 O ATOM 243 CB PHE A 32 -5.696 1.119 -2.907 1.00 0.00 C ATOM 244 CG PHE A 32 -5.364 1.218 -1.444 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.256 0.496 -0.959 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.291 1.829 -0.581 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.143 0.271 0.427 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.202 1.551 0.780 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.154 0.756 1.269 1.00 0.00 C ATOM 0 H PHE A 32 -4.992 0.631 -5.099 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.485 -0.986 -2.649 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.918 1.625 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.627 1.655 -3.092 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.505 0.121 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.050 2.495 -0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.296 -0.263 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.941 1.948 1.461 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.125 0.512 2.321 1.00 0.00 H new ATOM 250 N ARG A 33 -7.856 -0.160 -4.772 1.00 0.00 N ATOM 251 CA ARG A 33 -9.085 -0.661 -5.419 1.00 0.00 C ATOM 252 C ARG A 33 -8.956 -2.054 -6.016 1.00 0.00 C ATOM 253 O ARG A 33 -9.743 -2.932 -5.689 1.00 0.00 O ATOM 254 CB ARG A 33 -9.443 0.390 -6.478 1.00 0.00 C ATOM 255 CG ARG A 33 -10.825 0.129 -7.085 1.00 0.00 C ATOM 256 CD ARG A 33 -11.351 1.299 -7.921 1.00 0.00 C ATOM 257 NE ARG A 33 -11.535 2.502 -7.076 1.00 0.00 N ATOM 258 CZ ARG A 33 -11.621 3.761 -7.490 1.00 0.00 C ATOM 259 NH1 ARG A 33 -11.615 4.100 -8.772 1.00 0.00 N ATOM 260 NH2 ARG A 33 -11.726 4.721 -6.587 1.00 0.00 N ATOM 0 H ARG A 33 -7.507 0.710 -5.174 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.873 -0.786 -4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.424 1.382 -6.028 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.691 0.383 -7.267 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.777 -0.762 -7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.532 -0.082 -6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.653 1.519 -8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.299 1.025 -8.384 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.603 2.347 -6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.542 3.379 -9.490 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.683 5.082 -9.040 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.740 4.488 -5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.793 5.695 -6.883 1.00 0.00 H new ATOM 261 N ARG A 34 -7.859 -2.261 -6.711 1.00 0.00 N ATOM 262 CA ARG A 34 -7.585 -3.514 -7.416 1.00 0.00 C ATOM 263 C ARG A 34 -7.346 -4.741 -6.536 1.00 0.00 C ATOM 264 O ARG A 34 -7.482 -5.878 -6.999 1.00 0.00 O ATOM 265 CB ARG A 34 -6.368 -3.251 -8.326 1.00 0.00 C ATOM 266 CG ARG A 34 -6.015 -4.352 -9.325 1.00 0.00 C ATOM 267 CD ARG A 34 -4.833 -3.950 -10.210 1.00 0.00 C ATOM 268 NE ARG A 34 -3.631 -3.723 -9.386 1.00 0.00 N ATOM 269 CZ ARG A 34 -2.734 -4.633 -9.002 1.00 0.00 C ATOM 270 NH1 ARG A 34 -2.780 -5.884 -9.430 1.00 0.00 N ATOM 271 NH2 ARG A 34 -1.956 -4.373 -7.968 1.00 0.00 N ATOM 0 H ARG A 34 -7.120 -1.565 -6.809 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.485 -3.780 -7.971 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.550 -2.331 -8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.499 -3.074 -7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.773 -5.268 -8.787 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.881 -4.569 -9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.637 -4.732 -10.944 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.077 -3.045 -10.766 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.468 -2.765 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.516 -6.176 -10.072 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.079 -6.556 -9.118 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.045 -3.485 -7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.266 -5.060 -7.664 1.00 0.00 H new ATOM 272 N SER A 35 -6.861 -4.525 -5.320 1.00 0.00 N ATOM 273 CA SER A 35 -6.797 -5.609 -4.351 1.00 0.00 C ATOM 274 C SER A 35 -7.533 -5.398 -3.006 1.00 0.00 C ATOM 275 O SER A 35 -7.074 -5.833 -1.945 1.00 0.00 O ATOM 276 CB SER A 35 -5.357 -5.960 -4.071 1.00 0.00 C ATOM 277 OG SER A 35 -4.624 -6.230 -5.279 1.00 0.00 O ATOM 0 H SER A 35 -6.512 -3.626 -4.986 1.00 0.00 H new ATOM 0 HA SER A 35 -7.341 -6.419 -4.837 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.881 -5.139 -3.534 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.317 -6.833 -3.419 1.00 0.00 H new ATOM 0 HG SER A 35 -3.668 -6.294 -5.074 1.00 0.00 H new ATOM 278 N ILE A 36 -8.528 -4.523 -3.048 1.00 0.00 N ATOM 279 CA ILE A 36 -9.621 -4.589 -2.073 1.00 0.00 C ATOM 280 C ILE A 36 -11.029 -4.742 -2.682 1.00 0.00 C ATOM 281 O ILE A 36 -11.615 -5.809 -2.549 1.00 0.00 O ATOM 282 CB ILE A 36 -9.613 -3.402 -1.087 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.358 -3.494 -0.248 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.744 -3.257 -0.105 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.846 -2.084 -0.138 1.00 0.00 C ATOM 0 H ILE A 36 -8.607 -3.770 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.411 -5.511 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.699 -2.543 -1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.573 -3.912 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.619 -4.145 -0.716 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.581 -2.372 0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.685 -3.154 -0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.787 -4.140 0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.934 -2.074 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.632 -1.696 -1.134 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.600 -1.459 0.341 1.00 0.00 H new ATOM 286 N GLN A 37 -11.363 -3.800 -3.558 1.00 0.00 N ATOM 287 CA GLN A 37 -12.730 -3.632 -4.077 1.00 0.00 C ATOM 288 C GLN A 37 -13.207 -4.940 -4.770 1.00 0.00 C ATOM 289 O GLN A 37 -14.390 -5.248 -4.800 1.00 0.00 O ATOM 290 CB GLN A 37 -12.657 -2.452 -5.060 1.00 0.00 C ATOM 291 CG GLN A 37 -14.037 -2.053 -5.553 1.00 0.00 C ATOM 292 CD GLN A 37 -14.207 -2.419 -7.033 1.00 0.00 C ATOM 293 OE1 GLN A 37 -14.171 -1.578 -7.922 1.00 0.00 O ATOM 294 NE2 GLN A 37 -14.418 -3.685 -7.305 1.00 0.00 N ATOM 0 H GLN A 37 -10.696 -3.126 -3.934 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.453 -3.429 -3.287 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.183 -1.600 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.030 -2.723 -5.910 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.801 -2.554 -4.959 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.181 -0.981 -5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.445 -4.371 -6.551 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.555 -3.983 -8.271 1.00 0.00 H new ATOM 295 N LYS A 38 -12.340 -5.273 -5.714 1.00 0.00 N ATOM 296 CA LYS A 38 -11.858 -6.625 -6.048 1.00 0.00 C ATOM 297 C LYS A 38 -10.360 -6.548 -5.708 1.00 0.00 C ATOM 298 O LYS A 38 -9.841 -5.482 -5.392 1.00 0.00 O ATOM 299 CB LYS A 38 -12.051 -6.759 -7.562 1.00 0.00 C ATOM 300 CG LYS A 38 -11.264 -5.738 -8.386 1.00 0.00 C ATOM 301 CD LYS A 38 -11.276 -6.137 -9.865 1.00 0.00 C ATOM 302 CE LYS A 38 -10.270 -5.331 -10.699 1.00 0.00 C ATOM 303 NZ LYS A 38 -8.891 -5.658 -10.313 1.00 0.00 N ATOM 0 H LYS A 38 -11.919 -4.564 -6.314 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.349 -7.454 -5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.754 -7.762 -7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.111 -6.656 -7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.700 -4.747 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.237 -5.681 -8.025 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.048 -7.199 -9.953 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.278 -5.991 -10.269 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.416 -5.544 -11.758 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.448 -4.265 -10.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.257 -5.496 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.601 -5.054 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.838 -6.656 -10.027 1.00 0.00 H new ATOM 304 N ASN A 39 -9.506 -7.533 -5.842 1.00 0.00 N ATOM 305 CA ASN A 39 -9.701 -8.978 -6.065 1.00 0.00 C ATOM 306 C ASN A 39 -8.964 -9.773 -4.966 1.00 0.00 C ATOM 307 O ASN A 39 -8.201 -10.706 -5.220 1.00 0.00 O ATOM 308 CB ASN A 39 -9.320 -9.288 -7.526 1.00 0.00 C ATOM 309 CG ASN A 39 -7.902 -8.883 -7.969 1.00 0.00 C ATOM 310 OD1 ASN A 39 -7.723 -8.059 -8.860 1.00 0.00 O ATOM 311 ND2 ASN A 39 -6.873 -9.462 -7.392 1.00 0.00 N ATOM 0 H ASN A 39 -8.508 -7.327 -5.792 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.738 -9.297 -5.962 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.435 -10.360 -7.688 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.036 -8.789 -8.178 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.925 -9.226 -7.685 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.023 -10.147 -6.651 1.00 0.00 H new ATOM 312 N MET A 40 -9.201 -9.316 -3.735 1.00 0.00 N ATOM 313 CA MET A 40 -8.564 -9.878 -2.543 1.00 0.00 C ATOM 314 C MET A 40 -9.445 -10.837 -1.739 1.00 0.00 C ATOM 315 O MET A 40 -10.660 -10.733 -1.682 1.00 0.00 O ATOM 316 CB MET A 40 -8.179 -8.712 -1.619 1.00 0.00 C ATOM 317 CG MET A 40 -9.365 -7.914 -1.058 1.00 0.00 C ATOM 318 SD MET A 40 -10.141 -8.575 0.454 1.00 0.00 S ATOM 319 CE MET A 40 -9.531 -7.362 1.605 1.00 0.00 C ATOM 0 H MET A 40 -9.840 -8.546 -3.537 1.00 0.00 H new ATOM 0 HA MET A 40 -7.710 -10.458 -2.894 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.597 -9.105 -0.785 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.529 -8.031 -2.169 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.027 -6.898 -0.853 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.129 -7.846 -1.833 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.024 -7.865 2.429 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.830 -6.700 1.098 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.365 -6.778 1.994 1.00 0.00 H new ATOM 320 N ILE A 41 -8.817 -11.978 -1.575 1.00 0.00 N ATOM 321 CA ILE A 41 -8.757 -12.677 -0.294 1.00 0.00 C ATOM 322 C ILE A 41 -7.295 -13.124 -0.084 1.00 0.00 C ATOM 323 O ILE A 41 -6.663 -13.669 -0.996 1.00 0.00 O ATOM 324 CB ILE A 41 -9.832 -13.762 -0.200 1.00 0.00 C ATOM 325 CG1 ILE A 41 -10.142 -13.922 1.302 1.00 0.00 C ATOM 326 CG2 ILE A 41 -9.496 -15.108 -0.883 1.00 0.00 C ATOM 327 CD1 ILE A 41 -11.459 -14.660 1.602 1.00 0.00 C ATOM 0 H ILE A 41 -8.326 -12.459 -2.329 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.010 -12.033 0.548 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.703 -13.441 -0.771 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.321 -14.461 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.180 -12.934 1.760 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -10.328 -15.800 -0.753 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.324 -14.943 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.599 -15.531 -0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.600 -14.729 2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.292 -14.112 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.419 -15.663 1.176 1.00 0.00 H new ATOM 328 N TYR A 42 -6.723 -12.720 1.047 1.00 0.00 N ATOM 329 CA TYR A 42 -5.261 -12.722 1.262 1.00 0.00 C ATOM 330 C TYR A 42 -4.838 -12.740 2.731 1.00 0.00 C ATOM 331 O TYR A 42 -5.614 -12.394 3.618 1.00 0.00 O ATOM 332 CB TYR A 42 -4.621 -11.514 0.543 1.00 0.00 C ATOM 333 CG TYR A 42 -5.210 -10.121 0.798 1.00 0.00 C ATOM 334 CD1 TYR A 42 -6.003 -9.827 1.930 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.812 -9.099 -0.094 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.402 -8.499 2.180 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.220 -7.775 0.145 1.00 0.00 C ATOM 338 CZ TYR A 42 -6.020 -7.493 1.279 1.00 0.00 C ATOM 339 OH TYR A 42 -6.490 -6.232 1.431 1.00 0.00 O ATOM 0 H TYR A 42 -7.254 -12.379 1.849 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.899 -13.658 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.566 -11.484 0.817 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.666 -11.703 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.302 -10.618 2.602 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.199 -9.333 -0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.993 -8.259 3.052 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.927 -6.983 -0.528 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.866 -5.918 0.582 1.00 0.00 H new ATOM 340 N THR A 43 -3.699 -13.388 2.948 1.00 0.00 N ATOM 341 CA THR A 43 -2.881 -13.095 4.151 1.00 0.00 C ATOM 342 C THR A 43 -1.512 -12.479 3.846 1.00 0.00 C ATOM 343 O THR A 43 -0.868 -11.970 4.758 1.00 0.00 O ATOM 344 CB THR A 43 -2.797 -14.301 5.113 1.00 0.00 C ATOM 345 OG1 THR A 43 -2.547 -13.791 6.420 1.00 0.00 O ATOM 346 CG2 THR A 43 -1.685 -15.299 4.760 1.00 0.00 C ATOM 0 H THR A 43 -3.316 -14.105 2.332 1.00 0.00 H new ATOM 0 HA THR A 43 -3.422 -12.310 4.679 1.00 0.00 H new ATOM 0 HB THR A 43 -3.739 -14.845 5.041 1.00 0.00 H new ATOM 0 HG1 THR A 43 -1.991 -12.987 6.356 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.689 -16.117 5.480 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.856 -15.695 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.720 -14.794 4.790 1.00 0.00 H new ATOM 347 N CYS A 44 -1.005 -12.862 2.670 1.00 0.00 N ATOM 348 CA CYS A 44 0.124 -12.271 1.914 1.00 0.00 C ATOM 349 C CYS A 44 0.875 -13.343 1.131 1.00 0.00 C ATOM 350 O CYS A 44 1.359 -14.314 1.704 1.00 0.00 O ATOM 351 CB CYS A 44 1.196 -11.557 2.743 1.00 0.00 C ATOM 352 SG CYS A 44 2.230 -10.480 1.692 1.00 0.00 S ATOM 0 H CYS A 44 -1.401 -13.660 2.173 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.376 -11.532 1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.721 -10.962 3.523 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.824 -12.294 3.243 1.00 0.00 H new ATOM 353 N HIS A 45 0.820 -13.198 -0.195 1.00 0.00 N ATOM 354 CA HIS A 45 1.681 -13.993 -1.082 1.00 0.00 C ATOM 355 C HIS A 45 2.577 -13.171 -2.012 1.00 0.00 C ATOM 356 O HIS A 45 2.270 -12.876 -3.162 1.00 0.00 O ATOM 357 CB HIS A 45 0.846 -15.045 -1.846 1.00 0.00 C ATOM 358 CG HIS A 45 0.373 -16.160 -0.898 1.00 0.00 C ATOM 359 ND1 HIS A 45 1.167 -17.111 -0.394 1.00 0.00 N ATOM 360 CD2 HIS A 45 -0.856 -16.407 -0.453 1.00 0.00 C ATOM 361 CE1 HIS A 45 0.431 -17.935 0.343 1.00 0.00 C ATOM 362 NE2 HIS A 45 -0.817 -17.504 0.294 1.00 0.00 N ATOM 0 H HIS A 45 0.198 -12.548 -0.676 1.00 0.00 H new ATOM 0 HA HIS A 45 2.386 -14.511 -0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.016 -14.565 -2.309 1.00 0.00 H new ATOM 0 HB3 HIS A 45 1.442 -15.475 -2.651 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.735 -15.816 -0.663 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.787 -18.799 0.884 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -1.616 -17.941 0.753 1.00 0.00 H new ATOM 363 N ARG A 46 3.526 -12.556 -1.329 1.00 0.00 N ATOM 364 CA ARG A 46 4.862 -13.162 -1.219 1.00 0.00 C ATOM 365 C ARG A 46 4.980 -13.752 0.205 1.00 0.00 C ATOM 366 O ARG A 46 4.747 -14.936 0.426 1.00 0.00 O ATOM 367 CB ARG A 46 6.022 -12.201 -1.518 1.00 0.00 C ATOM 368 CG ARG A 46 5.897 -11.432 -2.840 1.00 0.00 C ATOM 369 CD ARG A 46 7.246 -10.786 -3.199 1.00 0.00 C ATOM 370 NE ARG A 46 7.089 -9.799 -4.282 1.00 0.00 N ATOM 371 CZ ARG A 46 8.059 -9.270 -5.029 1.00 0.00 C ATOM 372 NH1 ARG A 46 9.333 -9.623 -4.927 1.00 0.00 N ATOM 373 NH2 ARG A 46 7.755 -8.294 -5.886 1.00 0.00 N ATOM 0 H ARG A 46 3.413 -11.662 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 46 4.952 -13.933 -1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.099 -11.482 -0.702 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.952 -12.770 -1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.584 -12.108 -3.636 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.128 -10.664 -2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.666 -10.301 -2.318 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.952 -11.558 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 46 6.138 -9.488 -4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.613 -10.333 -4.251 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.033 -9.184 -5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.793 -7.964 -5.962 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.485 -7.878 -6.465 1.00 0.00 H new ATOM 374 N ASP A 47 5.360 -12.892 1.150 1.00 0.00 N ATOM 375 CA ASP A 47 5.328 -13.093 2.608 1.00 0.00 C ATOM 376 C ASP A 47 4.813 -11.809 3.269 1.00 0.00 C ATOM 377 O ASP A 47 4.941 -10.745 2.673 1.00 0.00 O ATOM 378 CB ASP A 47 6.718 -13.520 3.104 1.00 0.00 C ATOM 379 CG ASP A 47 7.878 -12.589 2.728 1.00 0.00 C ATOM 380 OD1 ASP A 47 7.643 -11.365 2.623 1.00 0.00 O ATOM 381 OD2 ASP A 47 8.993 -13.123 2.539 1.00 0.00 O ATOM 0 H ASP A 47 5.724 -11.971 0.905 1.00 0.00 H new ATOM 0 HA ASP A 47 4.645 -13.898 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.684 -13.607 4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.933 -14.514 2.712 1.00 0.00 H new ATOM 382 N LYS A 48 4.594 -11.824 4.569 1.00 0.00 N ATOM 383 CA LYS A 48 4.068 -10.634 5.270 1.00 0.00 C ATOM 384 C LYS A 48 5.190 -9.713 5.828 1.00 0.00 C ATOM 385 O LYS A 48 4.923 -8.735 6.522 1.00 0.00 O ATOM 386 CB LYS A 48 3.043 -11.006 6.339 1.00 0.00 C ATOM 387 CG LYS A 48 3.561 -12.032 7.342 1.00 0.00 C ATOM 388 CD LYS A 48 2.441 -12.653 8.182 1.00 0.00 C ATOM 389 CE LYS A 48 1.860 -13.934 7.553 1.00 0.00 C ATOM 390 NZ LYS A 48 1.217 -13.704 6.253 1.00 0.00 N ATOM 0 H LYS A 48 4.765 -12.630 5.170 1.00 0.00 H new ATOM 0 HA LYS A 48 3.545 -10.045 4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.743 -10.105 6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.150 -11.401 5.854 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.090 -12.821 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.284 -11.555 8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.824 -12.884 9.176 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.642 -11.923 8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.659 -14.665 7.431 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.132 -14.369 8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.789 -14.590 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.479 -12.979 6.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.928 -13.380 5.566 1.00 0.00 H new ATOM 391 N ASN A 49 6.403 -9.925 5.309 1.00 0.00 N ATOM 392 CA ASN A 49 7.582 -9.035 5.431 1.00 0.00 C ATOM 393 C ASN A 49 8.055 -8.511 4.050 1.00 0.00 C ATOM 394 O ASN A 49 9.237 -8.257 3.794 1.00 0.00 O ATOM 395 CB ASN A 49 8.702 -9.799 6.161 1.00 0.00 C ATOM 396 CG ASN A 49 9.134 -11.086 5.446 1.00 0.00 C ATOM 397 OD1 ASN A 49 8.460 -12.108 5.481 1.00 0.00 O ATOM 398 ND2 ASN A 49 10.127 -10.974 4.593 1.00 0.00 N ATOM 0 H ASN A 49 6.609 -10.762 4.763 1.00 0.00 H new ATOM 0 HA ASN A 49 7.307 -8.154 6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.567 -9.145 6.268 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.365 -10.048 7.167 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.340 -11.741 3.955 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.685 -10.120 4.569 1.00 0.00 H new ATOM 399 N CYS A 50 7.071 -8.343 3.175 1.00 0.00 N ATOM 400 CA CYS A 50 7.177 -7.889 1.775 1.00 0.00 C ATOM 401 C CYS A 50 7.111 -6.353 1.866 1.00 0.00 C ATOM 402 O CYS A 50 6.077 -5.786 2.206 1.00 0.00 O ATOM 403 CB CYS A 50 5.933 -8.472 1.106 1.00 0.00 C ATOM 404 SG CYS A 50 5.717 -8.689 -0.693 1.00 0.00 S ATOM 0 H CYS A 50 6.103 -8.532 3.435 1.00 0.00 H new ATOM 0 HA CYS A 50 8.071 -8.186 1.226 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.791 -9.459 1.546 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.098 -7.853 1.435 1.00 0.00 H new ATOM 405 N VAL A 51 8.292 -5.749 1.715 1.00 0.00 N ATOM 406 CA VAL A 51 8.609 -4.359 2.111 1.00 0.00 C ATOM 407 C VAL A 51 8.815 -3.387 0.964 1.00 0.00 C ATOM 408 O VAL A 51 9.459 -3.745 -0.018 1.00 0.00 O ATOM 409 CB VAL A 51 9.884 -4.485 2.974 1.00 0.00 C ATOM 410 CG1 VAL A 51 10.771 -3.252 3.138 1.00 0.00 C ATOM 411 CG2 VAL A 51 9.512 -5.089 4.297 1.00 0.00 C ATOM 0 H VAL A 51 9.091 -6.227 1.298 1.00 0.00 H new ATOM 0 HA VAL A 51 7.760 -3.926 2.640 1.00 0.00 H new ATOM 0 HB VAL A 51 10.543 -5.135 2.399 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.624 -3.499 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.125 -2.926 2.160 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.197 -2.450 3.602 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.403 -5.184 4.917 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.787 -4.448 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.075 -6.075 4.137 1.00 0.00 H new ATOM 412 N ILE A 52 8.379 -2.139 1.180 1.00 0.00 N ATOM 413 CA ILE A 52 8.720 -1.069 0.220 1.00 0.00 C ATOM 414 C ILE A 52 9.365 0.212 0.751 1.00 0.00 C ATOM 415 O ILE A 52 9.108 1.323 0.284 1.00 0.00 O ATOM 416 CB ILE A 52 7.711 -0.757 -0.892 1.00 0.00 C ATOM 417 CG1 ILE A 52 6.501 -1.678 -1.103 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.515 -0.601 -2.191 1.00 0.00 C ATOM 419 CD1 ILE A 52 6.791 -3.156 -1.332 1.00 0.00 C ATOM 0 H ILE A 52 7.812 -1.847 1.976 1.00 0.00 H new ATOM 0 HA ILE A 52 9.533 -1.620 -0.253 1.00 0.00 H new ATOM 0 HB ILE A 52 7.204 0.148 -0.559 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.852 -1.591 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.937 -1.306 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.836 -0.377 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.232 0.213 -2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.048 -1.528 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.853 -3.694 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.407 -3.272 -2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.321 -3.561 -0.470 1.00 0.00 H new ATOM 420 N ASN A 53 10.448 -0.025 1.477 1.00 0.00 N ATOM 421 CA ASN A 53 11.442 1.003 1.858 1.00 0.00 C ATOM 422 C ASN A 53 12.844 0.597 1.407 1.00 0.00 C ATOM 423 O ASN A 53 13.403 -0.435 1.788 1.00 0.00 O ATOM 424 CB ASN A 53 11.333 1.415 3.330 1.00 0.00 C ATOM 425 CG ASN A 53 11.322 0.241 4.295 1.00 0.00 C ATOM 426 OD1 ASN A 53 10.287 -0.212 4.779 1.00 0.00 O ATOM 427 ND2 ASN A 53 12.437 -0.429 4.392 1.00 0.00 N ATOM 0 H ASN A 53 10.677 -0.953 1.832 1.00 0.00 H new ATOM 0 HA ASN A 53 11.210 1.920 1.317 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.169 2.069 3.578 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.421 1.996 3.469 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.451 -1.330 4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.295 -0.052 3.990 1.00 0.00 H new ATOM 428 N LYS A 54 13.402 1.361 0.478 1.00 0.00 N ATOM 429 CA LYS A 54 13.618 0.778 -0.862 1.00 0.00 C ATOM 430 C LYS A 54 15.069 0.346 -1.126 1.00 0.00 C ATOM 431 O LYS A 54 15.975 1.149 -1.340 1.00 0.00 O ATOM 432 CB LYS A 54 13.132 1.707 -1.974 1.00 0.00 C ATOM 433 CG LYS A 54 11.668 2.117 -1.768 1.00 0.00 C ATOM 434 CD LYS A 54 11.219 3.187 -2.772 1.00 0.00 C ATOM 435 CE LYS A 54 10.996 2.662 -4.197 1.00 0.00 C ATOM 436 NZ LYS A 54 9.739 1.910 -4.276 1.00 0.00 N ATOM 0 H LYS A 54 13.701 2.328 0.601 1.00 0.00 H new ATOM 0 HA LYS A 54 13.014 -0.129 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.759 2.598 -2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.239 1.209 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.029 1.239 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.538 2.495 -0.754 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.293 3.638 -2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.968 3.978 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.973 3.496 -4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.829 2.022 -4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.386 1.926 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.904 0.926 -3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.034 2.344 -3.646 1.00 0.00 H new ATOM 437 N VAL A 55 15.239 -0.823 -0.547 1.00 0.00 N ATOM 438 CA VAL A 55 16.326 -1.812 -0.740 1.00 0.00 C ATOM 439 C VAL A 55 15.762 -3.113 -1.407 1.00 0.00 C ATOM 440 O VAL A 55 16.480 -3.964 -1.923 1.00 0.00 O ATOM 441 CB VAL A 55 16.765 -2.101 0.717 1.00 0.00 C ATOM 442 CG1 VAL A 55 17.654 -3.328 0.861 1.00 0.00 C ATOM 443 CG2 VAL A 55 17.443 -0.890 1.377 1.00 0.00 C ATOM 0 H VAL A 55 14.564 -1.156 0.141 1.00 0.00 H new ATOM 0 HA VAL A 55 17.134 -1.463 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 55 15.833 -2.313 1.241 1.00 0.00 H new ATOM 0 HG11 VAL A 55 17.919 -3.464 1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.119 -4.209 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.561 -3.191 0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.731 -1.145 2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.330 -0.615 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.749 -0.050 1.396 1.00 0.00 H new ATOM 444 N THR A 56 14.445 -3.076 -1.549 1.00 0.00 N ATOM 445 CA THR A 56 13.503 -4.185 -1.316 1.00 0.00 C ATOM 446 C THR A 56 12.584 -4.585 -2.512 1.00 0.00 C ATOM 447 O THR A 56 13.082 -5.008 -3.554 1.00 0.00 O ATOM 448 CB THR A 56 12.781 -3.662 -0.062 1.00 0.00 C ATOM 449 OG1 THR A 56 11.842 -4.627 0.408 1.00 0.00 O ATOM 450 CG2 THR A 56 12.042 -2.343 -0.290 1.00 0.00 C ATOM 0 H THR A 56 13.967 -2.225 -1.847 1.00 0.00 H new ATOM 0 HA THR A 56 13.988 -5.153 -1.189 1.00 0.00 H new ATOM 0 HB THR A 56 13.563 -3.483 0.676 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.959 -4.211 0.491 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.556 -2.033 0.635 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.752 -1.577 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.290 -2.477 -1.067 1.00 0.00 H new ATOM 451 N ARG A 57 11.269 -4.404 -2.337 1.00 0.00 N ATOM 452 CA ARG A 57 10.138 -4.683 -3.263 1.00 0.00 C ATOM 453 C ARG A 57 10.278 -6.009 -4.037 1.00 0.00 C ATOM 454 O ARG A 57 10.590 -6.023 -5.219 1.00 0.00 O ATOM 455 CB ARG A 57 9.543 -3.436 -3.879 1.00 0.00 C ATOM 456 CG ARG A 57 10.390 -2.593 -4.854 1.00 0.00 C ATOM 457 CD ARG A 57 11.398 -1.646 -4.212 1.00 0.00 C ATOM 458 NE ARG A 57 12.755 -2.213 -4.276 1.00 0.00 N ATOM 459 CZ ARG A 57 13.886 -1.551 -4.516 1.00 0.00 C ATOM 460 NH1 ARG A 57 13.912 -0.250 -4.788 1.00 0.00 N ATOM 461 NH2 ARG A 57 15.031 -2.210 -4.499 1.00 0.00 N ATOM 0 H ARG A 57 10.924 -4.020 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 57 9.249 -4.978 -2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.636 -3.733 -4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.237 -2.782 -3.062 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.928 -3.271 -5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.715 -2.006 -5.477 1.00 0.00 H new ATOM 0 HD2 ARG A 57 11.376 -0.683 -4.722 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.123 -1.463 -3.173 1.00 0.00 H new ATOM 0 HE ARG A 57 12.838 -3.218 -4.120 1.00 0.00 H new ATOM 0 HH11 ARG A 57 13.042 0.282 -4.819 1.00 0.00 H new ATOM 0 HH12 ARG A 57 14.802 0.216 -4.965 1.00 0.00 H new ATOM 0 HH21 ARG A 57 15.040 -3.211 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 57 15.906 -1.718 -4.681 1.00 0.00 H new ATOM 462 N ASN A 58 9.862 -7.125 -3.438 1.00 0.00 N ATOM 463 CA ASN A 58 9.113 -7.318 -2.163 1.00 0.00 C ATOM 464 C ASN A 58 7.722 -6.650 -2.131 1.00 0.00 C ATOM 465 O ASN A 58 7.279 -6.136 -1.107 1.00 0.00 O ATOM 466 CB ASN A 58 9.878 -7.060 -0.838 1.00 0.00 C ATOM 467 CG ASN A 58 11.110 -7.958 -0.663 1.00 0.00 C ATOM 468 OD1 ASN A 58 11.149 -9.115 -1.066 1.00 0.00 O ATOM 469 ND2 ASN A 58 12.103 -7.446 0.013 1.00 0.00 N ATOM 0 H ASN A 58 10.056 -8.027 -3.872 1.00 0.00 H new ATOM 0 HA ASN A 58 8.973 -8.399 -2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.190 -6.016 -0.804 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.200 -7.217 0.001 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.928 -8.011 0.213 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.053 -6.481 0.341 1.00 0.00 H new ATOM 470 N ARG A 59 7.051 -6.655 -3.277 1.00 0.00 N ATOM 471 CA ARG A 59 5.707 -6.092 -3.383 1.00 0.00 C ATOM 472 C ARG A 59 4.708 -7.167 -3.870 1.00 0.00 C ATOM 473 O ARG A 59 4.939 -7.931 -4.809 1.00 0.00 O ATOM 474 CB ARG A 59 5.647 -4.862 -4.286 1.00 0.00 C ATOM 475 CG ARG A 59 4.278 -4.157 -4.458 1.00 0.00 C ATOM 476 CD ARG A 59 3.708 -3.650 -3.136 1.00 0.00 C ATOM 477 NE ARG A 59 2.495 -2.844 -3.332 1.00 0.00 N ATOM 478 CZ ARG A 59 2.358 -1.543 -3.058 1.00 0.00 C ATOM 479 NH1 ARG A 59 3.343 -0.811 -2.557 1.00 0.00 N ATOM 480 NH2 ARG A 59 1.225 -0.911 -3.333 1.00 0.00 N ATOM 0 H ARG A 59 7.415 -7.043 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 59 5.426 -5.762 -2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.355 -4.129 -3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.999 -5.155 -5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.389 -3.319 -5.146 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.571 -4.851 -4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 59 3.479 -4.498 -2.491 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.461 -3.053 -2.622 1.00 0.00 H new ATOM 0 HE ARG A 59 1.680 -3.323 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.249 -1.238 -2.366 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.195 0.179 -2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.448 -1.418 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.130 0.082 -3.120 1.00 0.00 H new ATOM 481 N CYS A 60 3.540 -7.059 -3.278 1.00 0.00 N ATOM 482 CA CYS A 60 2.400 -8.005 -3.362 1.00 0.00 C ATOM 483 C CYS A 60 1.148 -7.224 -2.933 1.00 0.00 C ATOM 484 O CYS A 60 1.198 -6.010 -2.753 1.00 0.00 O ATOM 485 CB CYS A 60 2.731 -9.102 -2.350 1.00 0.00 C ATOM 486 SG CYS A 60 1.441 -10.252 -1.756 1.00 0.00 S ATOM 0 H CYS A 60 3.325 -6.261 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 60 2.231 -8.430 -4.352 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.525 -9.709 -2.785 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.150 -8.611 -1.472 1.00 0.00 H new ATOM 0 HG CYS A 60 1.590 -10.450 -0.480 1.00 0.00 H new ATOM 487 N GLN A 61 0.046 -7.944 -2.727 1.00 0.00 N ATOM 488 CA GLN A 61 -1.152 -7.366 -2.114 1.00 0.00 C ATOM 489 C GLN A 61 -1.141 -7.061 -0.615 1.00 0.00 C ATOM 490 O GLN A 61 -0.666 -5.992 -0.241 1.00 0.00 O ATOM 491 CB GLN A 61 -2.475 -8.002 -2.559 1.00 0.00 C ATOM 492 CG GLN A 61 -2.419 -9.394 -3.210 1.00 0.00 C ATOM 493 CD GLN A 61 -2.395 -10.550 -2.195 1.00 0.00 C ATOM 494 OE1 GLN A 61 -1.692 -10.571 -1.186 1.00 0.00 O ATOM 495 NE2 GLN A 61 -3.187 -11.553 -2.479 1.00 0.00 N ATOM 0 H GLN A 61 -0.043 -8.929 -2.975 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.091 -6.372 -2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -3.126 -8.066 -1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.953 -7.322 -3.264 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.282 -9.514 -3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.531 -9.456 -3.839 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.765 -11.524 -3.319 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.226 -12.363 -1.861 1.00 0.00 H new ATOM 496 N TYR A 62 -1.523 -8.033 0.212 1.00 0.00 N ATOM 497 CA TYR A 62 -1.807 -7.790 1.644 1.00 0.00 C ATOM 498 C TYR A 62 -0.746 -6.976 2.362 1.00 0.00 C ATOM 499 O TYR A 62 -1.024 -5.825 2.665 1.00 0.00 O ATOM 500 CB TYR A 62 -2.026 -9.157 2.347 1.00 0.00 C ATOM 501 CG TYR A 62 -2.279 -9.074 3.867 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.194 -8.973 4.760 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.584 -9.345 4.321 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.407 -9.201 6.132 1.00 0.00 C ATOM 505 CE2 TYR A 62 -3.816 -9.579 5.693 1.00 0.00 C ATOM 506 CZ TYR A 62 -2.714 -9.528 6.571 1.00 0.00 C ATOM 507 OH TYR A 62 -2.882 -9.952 7.855 1.00 0.00 O ATOM 0 H TYR A 62 -1.646 -9.003 -0.077 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.708 -7.179 1.694 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.874 -9.658 1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.151 -9.783 2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.209 -8.723 4.395 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.406 -9.374 3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.591 -9.128 6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.809 -9.791 6.060 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.830 -10.139 8.016 1.00 0.00 H new ATOM 508 N CYS A 63 0.495 -7.378 2.135 1.00 0.00 N ATOM 509 CA CYS A 63 1.673 -6.720 2.723 1.00 0.00 C ATOM 510 C CYS A 63 1.651 -5.188 2.757 1.00 0.00 C ATOM 511 O CYS A 63 1.484 -4.619 3.838 1.00 0.00 O ATOM 512 CB CYS A 63 2.864 -7.209 1.889 1.00 0.00 C ATOM 513 SG CYS A 63 2.671 -6.888 0.097 1.00 0.00 S ATOM 0 H CYS A 63 0.724 -8.172 1.537 1.00 0.00 H new ATOM 0 HA CYS A 63 1.717 -6.988 3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.772 -6.721 2.243 1.00 0.00 H new ATOM 0 HB3 CYS A 63 2.995 -8.279 2.048 1.00 0.00 H new ATOM 0 HG CYS A 63 3.841 -6.713 -0.441 1.00 0.00 H new ATOM 514 N ARG A 64 1.551 -4.563 1.582 1.00 0.00 N ATOM 515 CA ARG A 64 1.498 -3.095 1.510 1.00 0.00 C ATOM 516 C ARG A 64 0.138 -2.536 1.061 1.00 0.00 C ATOM 517 O ARG A 64 -0.011 -1.319 1.021 1.00 0.00 O ATOM 518 CB ARG A 64 2.651 -2.481 0.703 1.00 0.00 C ATOM 519 CG ARG A 64 4.006 -3.176 0.913 1.00 0.00 C ATOM 520 CD ARG A 64 4.638 -2.996 2.301 1.00 0.00 C ATOM 521 NE ARG A 64 5.455 -1.772 2.413 1.00 0.00 N ATOM 522 CZ ARG A 64 6.422 -1.571 3.310 1.00 0.00 C ATOM 523 NH1 ARG A 64 6.759 -2.490 4.203 1.00 0.00 N ATOM 524 NH2 ARG A 64 7.126 -0.450 3.307 1.00 0.00 N ATOM 0 H ARG A 64 1.506 -5.037 0.680 1.00 0.00 H new ATOM 0 HA ARG A 64 1.629 -2.779 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.397 -2.516 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.749 -1.429 0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.879 -4.243 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.705 -2.803 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.848 -2.968 3.052 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.260 -3.862 2.525 1.00 0.00 H new ATOM 0 HE ARG A 64 5.265 -1.019 1.751 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.274 -3.387 4.220 1.00 0.00 H new ATOM 0 HH12 ARG A 64 7.504 -2.301 4.874 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.932 0.272 2.614 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.863 -0.309 3.998 1.00 0.00 H new ATOM 525 N LEU A 65 -0.891 -3.404 0.974 1.00 0.00 N ATOM 526 CA LEU A 65 -2.261 -2.930 1.279 1.00 0.00 C ATOM 527 C LEU A 65 -2.248 -2.439 2.728 1.00 0.00 C ATOM 528 O LEU A 65 -2.227 -1.234 2.918 1.00 0.00 O ATOM 529 CB LEU A 65 -3.316 -4.041 1.265 1.00 0.00 C ATOM 530 CG LEU A 65 -4.297 -4.192 0.111 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.710 -2.862 -0.495 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.783 -5.013 -1.030 1.00 0.00 C ATOM 0 H LEU A 65 -0.812 -4.386 0.710 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.513 -2.184 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.781 -4.987 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.909 -3.926 2.172 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.140 -4.694 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.410 -3.036 -1.312 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.189 -2.248 0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.828 -2.346 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.544 -5.070 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.883 -4.550 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.547 -6.017 -0.678 1.00 0.00 H new ATOM 533 N GLN A 66 -1.713 -3.321 3.556 1.00 0.00 N ATOM 534 CA GLN A 66 -1.815 -3.342 5.023 1.00 0.00 C ATOM 535 C GLN A 66 -0.784 -2.436 5.710 1.00 0.00 C ATOM 536 O GLN A 66 -1.121 -1.697 6.636 1.00 0.00 O ATOM 537 CB GLN A 66 -1.819 -4.809 5.444 1.00 0.00 C ATOM 538 CG GLN A 66 -3.068 -5.570 4.904 1.00 0.00 C ATOM 539 CD GLN A 66 -4.437 -4.904 5.027 1.00 0.00 C ATOM 540 OE1 GLN A 66 -4.833 -4.374 6.063 1.00 0.00 O ATOM 541 NE2 GLN A 66 -5.240 -4.994 3.985 1.00 0.00 N ATOM 0 H GLN A 66 -1.155 -4.100 3.206 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.746 -2.892 5.368 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.914 -5.293 5.078 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.798 -4.874 6.532 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.896 -5.782 3.849 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.119 -6.530 5.418 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.912 -5.434 3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.189 -4.624 4.039 1.00 0.00 H new ATOM 542 N LYS A 67 0.433 -2.404 5.176 1.00 0.00 N ATOM 543 CA LYS A 67 1.423 -1.396 5.579 1.00 0.00 C ATOM 544 C LYS A 67 1.159 0.023 5.050 1.00 0.00 C ATOM 545 O LYS A 67 1.362 0.982 5.796 1.00 0.00 O ATOM 546 CB LYS A 67 2.831 -1.920 5.282 1.00 0.00 C ATOM 547 CG LYS A 67 3.945 -1.069 5.897 1.00 0.00 C ATOM 548 CD LYS A 67 4.712 -1.799 7.002 1.00 0.00 C ATOM 549 CE LYS A 67 5.882 -0.954 7.499 1.00 0.00 C ATOM 550 NZ LYS A 67 6.930 -0.845 6.468 1.00 0.00 N ATOM 0 H LYS A 67 0.762 -3.059 4.466 1.00 0.00 H new ATOM 0 HA LYS A 67 1.325 -1.257 6.656 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.916 -2.940 5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.973 -1.964 4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.642 -0.771 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.514 -0.155 6.304 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.040 -2.022 7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.081 -2.753 6.626 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.528 0.041 7.769 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.300 -1.400 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.649 -0.159 6.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.376 -1.774 6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.506 -0.525 5.574 1.00 0.00 H new ATOM 551 N CYS A 68 0.621 0.191 3.832 1.00 0.00 N ATOM 552 CA CYS A 68 0.064 1.508 3.432 1.00 0.00 C ATOM 553 C CYS A 68 -1.221 1.865 4.215 1.00 0.00 C ATOM 554 O CYS A 68 -1.402 3.006 4.614 1.00 0.00 O ATOM 555 CB CYS A 68 -0.123 1.672 1.918 1.00 0.00 C ATOM 556 SG CYS A 68 1.396 1.919 0.923 1.00 0.00 S ATOM 0 H CYS A 68 0.557 -0.538 3.122 1.00 0.00 H new ATOM 0 HA CYS A 68 0.828 2.234 3.711 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.637 0.788 1.541 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -0.784 2.522 1.747 1.00 0.00 H new ATOM 0 HG CYS A 68 1.078 2.039 -0.332 1.00 0.00 H new ATOM 557 N PHE A 69 -2.036 0.847 4.515 1.00 0.00 N ATOM 558 CA PHE A 69 -3.157 0.866 5.480 1.00 0.00 C ATOM 559 C PHE A 69 -2.862 1.300 6.918 1.00 0.00 C ATOM 560 O PHE A 69 -3.771 1.670 7.665 1.00 0.00 O ATOM 561 CB PHE A 69 -3.900 -0.459 5.573 1.00 0.00 C ATOM 562 CG PHE A 69 -5.073 -0.608 4.611 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.123 0.334 4.751 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.235 -1.753 3.785 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.327 0.142 4.054 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.436 -1.953 3.099 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.443 -0.979 3.207 1.00 0.00 C ATOM 0 H PHE A 69 -1.931 -0.065 4.070 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.762 1.650 5.025 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.193 -1.268 5.389 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.267 -0.582 6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.998 1.195 5.391 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.431 -2.468 3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.146 0.838 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.587 -2.838 2.498 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.341 -1.094 2.618 1.00 0.00 H new ATOM 568 N GLU A 70 -1.621 1.133 7.341 1.00 0.00 N ATOM 569 CA GLU A 70 -1.101 1.786 8.565 1.00 0.00 C ATOM 570 C GLU A 70 -1.361 3.304 8.600 1.00 0.00 C ATOM 571 O GLU A 70 -1.492 3.894 9.671 1.00 0.00 O ATOM 572 CB GLU A 70 0.381 1.472 8.682 1.00 0.00 C ATOM 573 CG GLU A 70 0.509 -0.011 9.050 1.00 0.00 C ATOM 574 CD GLU A 70 1.947 -0.509 9.254 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.832 0.308 9.582 1.00 0.00 O ATOM 576 OE2 GLU A 70 2.113 -1.742 9.116 1.00 0.00 O ATOM 0 H GLU A 70 -0.937 0.548 6.861 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.640 1.386 9.424 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.892 1.680 7.742 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.847 2.098 9.443 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.055 -0.192 9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.043 -0.606 8.265 1.00 0.00 H new ATOM 577 N VAL A 71 -1.520 3.854 7.410 1.00 0.00 N ATOM 578 CA VAL A 71 -1.967 5.246 7.167 1.00 0.00 C ATOM 579 C VAL A 71 -3.307 5.148 6.384 1.00 0.00 C ATOM 580 O VAL A 71 -3.340 5.411 5.189 1.00 0.00 O ATOM 581 CB VAL A 71 -0.857 5.990 6.416 1.00 0.00 C ATOM 582 CG1 VAL A 71 -1.201 7.481 6.268 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.502 5.937 7.114 1.00 0.00 C ATOM 0 H VAL A 71 -1.340 3.341 6.547 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.147 5.815 8.079 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.790 5.481 5.454 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.399 7.988 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.132 7.586 5.711 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.316 7.928 7.256 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.236 6.485 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.421 6.389 8.103 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.819 4.899 7.215 1.00 0.00 H new ATOM 584 N GLY A 72 -4.230 4.386 6.996 1.00 0.00 N ATOM 585 CA GLY A 72 -5.634 4.090 6.602 1.00 0.00 C ATOM 586 C GLY A 72 -6.251 4.968 5.520 1.00 0.00 C ATOM 587 O GLY A 72 -7.167 5.759 5.711 1.00 0.00 O ATOM 0 H GLY A 72 -3.996 3.910 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.679 3.055 6.264 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.258 4.162 7.493 1.00 0.00 H new ATOM 588 N MET A 73 -5.830 4.526 4.356 1.00 0.00 N ATOM 589 CA MET A 73 -6.209 5.043 3.039 1.00 0.00 C ATOM 590 C MET A 73 -7.625 4.524 2.768 1.00 0.00 C ATOM 591 O MET A 73 -8.004 3.458 3.243 1.00 0.00 O ATOM 592 CB MET A 73 -5.302 4.371 1.990 1.00 0.00 C ATOM 593 CG MET A 73 -4.023 3.672 2.459 1.00 0.00 C ATOM 594 SD MET A 73 -2.438 4.191 1.711 1.00 0.00 S ATOM 595 CE MET A 73 -2.686 3.813 -0.012 1.00 0.00 C ATOM 0 H MET A 73 -5.173 3.748 4.288 1.00 0.00 H new ATOM 0 HA MET A 73 -6.135 6.130 2.999 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.904 3.635 1.457 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.015 5.133 1.266 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.944 3.809 3.537 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.142 2.603 2.281 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.864 4.226 -0.597 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.720 2.732 -0.146 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.626 4.250 -0.349 1.00 0.00 H new ATOM 596 N SER A 74 -8.360 5.244 1.938 1.00 0.00 N ATOM 597 CA SER A 74 -9.687 4.743 1.569 1.00 0.00 C ATOM 598 C SER A 74 -10.014 4.280 0.153 1.00 0.00 C ATOM 599 O SER A 74 -10.943 4.721 -0.526 1.00 0.00 O ATOM 600 CB SER A 74 -10.816 5.627 2.164 1.00 0.00 C ATOM 601 OG SER A 74 -10.900 5.392 3.573 1.00 0.00 O ATOM 0 H SER A 74 -8.086 6.134 1.521 1.00 0.00 H new ATOM 0 HA SER A 74 -9.629 3.763 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.611 6.680 1.970 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.768 5.394 1.686 1.00 0.00 H new ATOM 0 HG SER A 74 -11.610 5.948 3.956 1.00 0.00 H new ATOM 602 N LYS A 75 -9.250 3.253 -0.181 1.00 0.00 N ATOM 603 CA LYS A 75 -9.874 1.961 -0.509 1.00 0.00 C ATOM 604 C LYS A 75 -9.724 1.120 0.760 1.00 0.00 C ATOM 605 O LYS A 75 -8.781 0.395 0.966 1.00 0.00 O ATOM 606 CB LYS A 75 -9.356 1.325 -1.790 1.00 0.00 C ATOM 607 CG LYS A 75 -9.460 2.251 -3.006 1.00 0.00 C ATOM 608 CD LYS A 75 -10.852 2.810 -3.365 1.00 0.00 C ATOM 609 CE LYS A 75 -11.771 1.750 -3.961 1.00 0.00 C ATOM 610 NZ LYS A 75 -12.984 2.377 -4.511 1.00 0.00 N ATOM 0 H LYS A 75 -8.232 3.274 -0.234 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.928 2.071 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.315 1.036 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.917 0.411 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.791 3.096 -2.842 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.082 1.709 -3.873 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.315 3.226 -2.470 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.739 3.629 -4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.247 1.205 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.044 1.023 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.632 1.639 -4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.454 2.934 -3.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.724 3.002 -5.301 1.00 0.00 H new ATOM 611 N GLU A 76 -10.835 1.081 1.471 1.00 0.00 N ATOM 612 CA GLU A 76 -10.835 1.006 2.927 1.00 0.00 C ATOM 613 C GLU A 76 -11.363 -0.404 3.310 1.00 0.00 C ATOM 614 O GLU A 76 -10.654 -1.396 3.160 1.00 0.00 O ATOM 615 CB GLU A 76 -11.742 2.144 3.345 1.00 0.00 C ATOM 616 CG GLU A 76 -11.694 2.431 4.857 1.00 0.00 C ATOM 617 CD GLU A 76 -12.789 3.405 5.303 1.00 0.00 C ATOM 618 OE1 GLU A 76 -13.958 3.128 4.959 1.00 0.00 O ATOM 619 OE2 GLU A 76 -12.459 4.296 6.112 1.00 0.00 O ATOM 0 H GLU A 76 -11.767 1.100 1.058 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.868 1.114 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.459 3.045 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.767 1.908 3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.800 1.495 5.405 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.718 2.843 5.115 1.00 0.00 H new ATOM 620 N SER A 77 -12.665 -0.488 3.543 1.00 0.00 N ATOM 621 CA SER A 77 -13.442 -1.735 3.495 1.00 0.00 C ATOM 622 C SER A 77 -14.354 -1.552 2.280 1.00 0.00 C ATOM 623 O SER A 77 -15.428 -0.948 2.312 1.00 0.00 O ATOM 624 CB SER A 77 -14.259 -1.917 4.786 1.00 0.00 C ATOM 625 OG SER A 77 -14.963 -3.161 4.732 1.00 0.00 O ATOM 0 H SER A 77 -13.232 0.327 3.778 1.00 0.00 H new ATOM 0 HA SER A 77 -12.816 -2.624 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.599 -1.898 5.653 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.963 -1.093 4.903 1.00 0.00 H new ATOM 0 HG SER A 77 -15.483 -3.279 5.555 1.00 0.00 H new ATOM 626 N VAL A 78 -13.669 -1.774 1.165 1.00 0.00 N ATOM 627 CA VAL A 78 -14.099 -1.295 -0.150 1.00 0.00 C ATOM 628 C VAL A 78 -14.529 -2.387 -1.124 1.00 0.00 C ATOM 629 O VAL A 78 -13.998 -3.485 -1.139 1.00 0.00 O ATOM 630 CB VAL A 78 -13.017 -0.315 -0.615 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.089 -0.734 -1.739 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.361 1.168 -0.550 1.00 0.00 C ATOM 0 H VAL A 78 -12.792 -2.295 1.144 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.048 -0.762 -0.092 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.335 -0.437 0.226 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.383 0.070 -1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.542 -1.630 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.674 -0.944 -2.634 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.514 1.754 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.229 1.368 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.586 1.444 0.480 1.00 0.00 H new ATOM 633 N ARG A 79 -15.656 -2.113 -1.764 1.00 0.00 N ATOM 634 CA ARG A 79 -16.430 -0.858 -1.625 1.00 0.00 C ATOM 635 C ARG A 79 -17.793 -1.056 -0.929 1.00 0.00 C ATOM 636 O ARG A 79 -18.743 -1.574 -1.512 1.00 0.00 O ATOM 637 CB ARG A 79 -16.602 -0.138 -2.963 1.00 0.00 C ATOM 638 CG ARG A 79 -16.378 1.344 -2.692 1.00 0.00 C ATOM 639 CD ARG A 79 -16.778 2.240 -3.878 1.00 0.00 C ATOM 640 NE ARG A 79 -15.771 2.253 -4.972 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.655 1.389 -5.986 1.00 0.00 C ATOM 642 NH1 ARG A 79 -16.519 0.411 -6.215 1.00 0.00 N ATOM 643 NH2 ARG A 79 -14.655 1.513 -6.840 1.00 0.00 N ATOM 0 H ARG A 79 -16.082 -2.769 -2.418 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.833 -0.221 -0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.888 -0.510 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.598 -0.311 -3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.951 1.638 -1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.327 1.510 -2.457 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.733 1.898 -4.277 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -16.929 3.259 -3.520 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.088 3.010 -4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -17.324 0.288 -5.601 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -16.379 -0.219 -7.005 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -13.976 2.265 -6.724 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.562 0.857 -7.615 1.00 0.00 H new ATOM 644 N ASN A 80 -17.762 -0.809 0.375 1.00 0.00 N ATOM 645 CA ASN A 80 -18.960 -0.809 1.218 1.00 0.00 C ATOM 646 C ASN A 80 -19.162 0.544 1.946 1.00 0.00 C ATOM 647 O ASN A 80 -20.272 1.104 1.791 1.00 0.00 O ATOM 648 CB ASN A 80 -18.783 -1.947 2.217 1.00 0.00 C ATOM 649 CG ASN A 80 -20.036 -2.199 3.054 1.00 0.00 C ATOM 650 OD1 ASN A 80 -20.249 -1.617 4.102 1.00 0.00 O ATOM 651 ND2 ASN A 80 -20.929 -3.018 2.545 1.00 0.00 N ATOM 652 OXT ASN A 80 -18.163 1.044 2.502 1.00 0.00 O ATOM 0 H ASN A 80 -16.903 -0.602 0.884 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.852 -0.950 0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -18.521 -2.859 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.949 -1.716 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -21.814 -3.173 3.029 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -20.737 -3.499 1.666 1.00 0.00 H new TER 653 ASN A 80 HETATM 654 ZN ZN A 81 3.426 2.916 -4.443 1.00 0.00 ZN HETATM 655 ZN ZN A 82 3.539 -9.574 -0.043 1.00 0.00 ZN