USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 914 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 25 HIS : no HD1:sc= 0.892 K(o=2,f=-5.1!) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 46 SER OG : rot 87:sc= 1.09 USER MOD Set 2.1: A 10 SER OG : rot 180:sc= -0.063 USER MOD Set 2.2: A 12 ASN : amide:sc= -0.703 K(o=-0.77,f=-2.2) USER MOD Single : A 1 ARG N :NH3+ 137:sc= 0.0488 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 30:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 1.03 (180deg=0.905) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.01 K(o=-1,f=-0.067) USER MOD Single : A 21 GLN : amide:sc= -0.0432 X(o=-0.043,f=-0.027) USER MOD Single : A 31 SER OG : rot 30:sc= 0.761 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -131:sc= -0.581 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.63) USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00845) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 1.3 K(o=1.8,f=-5.9!) USER MOD Single : A 60 THR OG1 : rot -150:sc= 0.985 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.025) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -43:sc= 0.131 USER MOD Single : A 73 THR OG1 : rot -46:sc= 1.24 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 77 HIS : no HD1:sc= -0.0586 X(o=-0.059,f=-0.059) USER MOD Single : A 79 LYS NZ :NH3+ -141:sc= 0.399 (180deg=-0.268) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0.721 K(o=0.72,f=-0.46) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -102:sc= 0.83 USER MOD Single : A 93 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.714) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.42! X(o=-2.4!,f=-2.8) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.824 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -150:sc= -0.15 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 19.321 -6.213 17.831 1.00 0.00 N ATOM 2 CA ARG A 1 18.446 -5.969 16.647 1.00 0.00 C ATOM 3 C ARG A 1 18.123 -7.265 15.902 1.00 0.00 C ATOM 4 O ARG A 1 18.965 -8.167 15.901 1.00 0.00 O ATOM 5 CB ARG A 1 19.025 -4.892 15.703 1.00 0.00 C ATOM 6 CG ARG A 1 20.360 -5.241 15.007 1.00 0.00 C ATOM 7 CD ARG A 1 20.892 -4.048 14.201 1.00 0.00 C ATOM 8 NE ARG A 1 21.200 -2.904 15.077 1.00 0.00 N ATOM 9 CZ ARG A 1 22.330 -2.557 15.651 1.00 0.00 C ATOM 10 NH1 ARG A 1 23.438 -3.223 15.502 1.00 0.00 N ATOM 11 NH2 ARG A 1 22.333 -1.515 16.422 1.00 0.00 N ATOM 0 H1 ARG A 1 20.061 -5.483 17.872 1.00 0.00 H new ATOM 0 H2 ARG A 1 18.749 -6.176 18.699 1.00 0.00 H new ATOM 0 H3 ARG A 1 19.764 -7.150 17.748 1.00 0.00 H new ATOM 0 HA ARG A 1 17.504 -5.575 17.030 1.00 0.00 H new ATOM 0 HB2 ARG A 1 18.284 -4.676 14.934 1.00 0.00 H new ATOM 0 HB3 ARG A 1 19.166 -3.975 16.275 1.00 0.00 H new ATOM 0 HG2 ARG A 1 21.097 -5.536 15.754 1.00 0.00 H new ATOM 0 HG3 ARG A 1 20.216 -6.095 14.346 1.00 0.00 H new ATOM 0 HD2 ARG A 1 21.789 -4.345 13.658 1.00 0.00 H new ATOM 0 HD3 ARG A 1 20.153 -3.750 13.457 1.00 0.00 H new ATOM 0 HE ARG A 1 20.413 -2.284 15.268 1.00 0.00 H new ATOM 0 HH11 ARG A 1 23.456 -4.058 14.917 1.00 0.00 H new ATOM 0 HH12 ARG A 1 24.288 -2.910 15.971 1.00 0.00 H new ATOM 0 HH21 ARG A 1 21.473 -0.988 16.570 1.00 0.00 H new ATOM 0 HH22 ARG A 1 23.196 -1.222 16.881 1.00 0.00 H new ATOM 27 N PRO A 2 16.938 -7.386 15.264 1.00 0.00 N ATOM 28 CA PRO A 2 16.561 -8.610 14.552 1.00 0.00 C ATOM 29 C PRO A 2 17.427 -8.841 13.304 1.00 0.00 C ATOM 30 O PRO A 2 18.038 -9.903 13.161 1.00 0.00 O ATOM 31 CB PRO A 2 15.073 -8.456 14.213 1.00 0.00 C ATOM 32 CG PRO A 2 14.843 -6.943 14.198 1.00 0.00 C ATOM 33 CD PRO A 2 15.846 -6.409 15.223 1.00 0.00 C ATOM 0 HA PRO A 2 16.729 -9.494 15.168 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.837 -8.904 13.248 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.443 -8.947 14.955 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.020 -6.522 13.208 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.819 -6.692 14.473 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.214 -5.425 14.933 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.382 -6.300 16.203 1.00 0.00 H new ATOM 41 N CYS A 3 17.484 -7.847 12.410 1.00 0.00 N ATOM 42 CA CYS A 3 18.202 -7.879 11.130 1.00 0.00 C ATOM 43 C CYS A 3 18.890 -6.524 10.863 1.00 0.00 C ATOM 44 O CYS A 3 18.690 -5.555 11.604 1.00 0.00 O ATOM 45 CB CYS A 3 17.239 -8.312 9.995 1.00 0.00 C ATOM 46 SG CYS A 3 16.057 -9.606 10.507 1.00 0.00 S ATOM 0 H CYS A 3 17.009 -6.958 12.566 1.00 0.00 H new ATOM 0 HA CYS A 3 18.998 -8.623 11.170 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.685 -7.441 9.646 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.824 -8.677 9.151 1.00 0.00 H new ATOM 51 N LYS A 4 19.729 -6.455 9.825 1.00 0.00 N ATOM 52 CA LYS A 4 20.502 -5.262 9.438 1.00 0.00 C ATOM 53 C LYS A 4 19.722 -4.435 8.407 1.00 0.00 C ATOM 54 O LYS A 4 19.286 -4.992 7.399 1.00 0.00 O ATOM 55 CB LYS A 4 21.849 -5.701 8.833 1.00 0.00 C ATOM 56 CG LYS A 4 22.696 -6.666 9.689 1.00 0.00 C ATOM 57 CD LYS A 4 23.268 -6.072 10.985 1.00 0.00 C ATOM 58 CE LYS A 4 24.361 -5.036 10.684 1.00 0.00 C ATOM 59 NZ LYS A 4 25.134 -4.671 11.901 1.00 0.00 N ATOM 0 H LYS A 4 19.897 -7.251 9.209 1.00 0.00 H new ATOM 0 HA LYS A 4 20.677 -4.649 10.322 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.655 -6.176 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.442 -4.809 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.083 -7.530 9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.524 -7.032 9.081 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.468 -5.604 11.558 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.679 -6.870 11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 4 25.040 -5.434 9.929 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.905 -4.140 10.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 25.861 -3.970 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 24.492 -4.267 12.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 25.591 -5.521 12.290 1.00 0.00 H new ATOM 73 N TYR A 5 19.590 -3.123 8.618 1.00 0.00 N ATOM 74 CA TYR A 5 18.912 -2.194 7.694 1.00 0.00 C ATOM 75 C TYR A 5 19.672 -0.865 7.517 1.00 0.00 C ATOM 76 O TYR A 5 20.498 -0.480 8.350 1.00 0.00 O ATOM 77 CB TYR A 5 17.485 -1.888 8.183 1.00 0.00 C ATOM 78 CG TYR A 5 16.570 -3.071 8.446 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.568 -3.672 9.722 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.668 -3.518 7.458 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.661 -4.707 10.021 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.734 -4.523 7.773 1.00 0.00 C ATOM 83 CZ TYR A 5 14.739 -5.133 9.044 1.00 0.00 C ATOM 84 OH TYR A 5 13.869 -6.143 9.314 1.00 0.00 O ATOM 0 H TYR A 5 19.957 -2.662 9.451 1.00 0.00 H new ATOM 0 HA TYR A 5 18.882 -2.697 6.727 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.561 -1.309 9.103 1.00 0.00 H new ATOM 0 HB3 TYR A 5 17.005 -1.248 7.443 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.266 -3.336 10.474 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.694 -3.092 6.466 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.672 -5.173 10.995 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.008 -4.829 7.035 1.00 0.00 H new ATOM 0 HH TYR A 5 13.660 -6.147 10.271 1.00 0.00 H new ATOM 94 N LYS A 6 19.353 -0.152 6.431 1.00 0.00 N ATOM 95 CA LYS A 6 19.900 1.156 6.023 1.00 0.00 C ATOM 96 C LYS A 6 19.004 2.318 6.491 1.00 0.00 C ATOM 97 O LYS A 6 17.812 2.130 6.741 1.00 0.00 O ATOM 98 CB LYS A 6 20.024 1.158 4.486 1.00 0.00 C ATOM 99 CG LYS A 6 20.943 0.037 3.947 1.00 0.00 C ATOM 100 CD LYS A 6 20.520 -0.446 2.552 1.00 0.00 C ATOM 101 CE LYS A 6 20.736 0.590 1.438 1.00 0.00 C ATOM 102 NZ LYS A 6 22.170 0.716 1.061 1.00 0.00 N ATOM 0 H LYS A 6 18.659 -0.493 5.766 1.00 0.00 H new ATOM 0 HA LYS A 6 20.875 1.302 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 6 19.032 1.048 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 6 20.411 2.124 4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 6 21.970 0.400 3.907 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.930 -0.805 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.079 -1.349 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.466 -0.721 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.155 0.305 0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.362 1.559 1.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.270 1.425 0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.722 1.013 1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.522 -0.202 0.722 1.00 0.00 H new ATOM 116 N LEU A 7 19.567 3.527 6.555 1.00 0.00 N ATOM 117 CA LEU A 7 18.899 4.771 6.974 1.00 0.00 C ATOM 118 C LEU A 7 18.426 5.580 5.752 1.00 0.00 C ATOM 119 O LEU A 7 19.234 6.188 5.045 1.00 0.00 O ATOM 120 CB LEU A 7 19.854 5.557 7.904 1.00 0.00 C ATOM 121 CG LEU A 7 19.217 6.587 8.860 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.362 7.647 8.164 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.368 5.917 9.943 1.00 0.00 C ATOM 0 H LEU A 7 20.545 3.677 6.306 1.00 0.00 H new ATOM 0 HA LEU A 7 17.994 4.547 7.539 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.409 4.837 8.505 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.580 6.079 7.280 1.00 0.00 H new ATOM 0 HG LEU A 7 20.073 7.091 9.309 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.952 8.330 8.908 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.978 8.205 7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.546 7.162 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.939 6.680 10.593 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.566 5.346 9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.993 5.247 10.533 1.00 0.00 H new ATOM 135 N LYS A 8 17.109 5.577 5.507 1.00 0.00 N ATOM 136 CA LYS A 8 16.430 6.298 4.418 1.00 0.00 C ATOM 137 C LYS A 8 15.171 7.026 4.926 1.00 0.00 C ATOM 138 O LYS A 8 14.227 6.415 5.418 1.00 0.00 O ATOM 139 CB LYS A 8 16.144 5.290 3.286 1.00 0.00 C ATOM 140 CG LYS A 8 15.327 5.823 2.100 1.00 0.00 C ATOM 141 CD LYS A 8 15.994 7.009 1.378 1.00 0.00 C ATOM 142 CE LYS A 8 15.286 7.353 0.060 1.00 0.00 C ATOM 143 NZ LYS A 8 15.637 6.405 -1.034 1.00 0.00 N ATOM 0 H LYS A 8 16.457 5.049 6.087 1.00 0.00 H new ATOM 0 HA LYS A 8 17.068 7.088 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.097 4.919 2.908 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.616 4.437 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.169 5.015 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.344 6.131 2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.987 7.881 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.038 6.770 1.177 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.207 7.341 0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.554 8.366 -0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.135 6.677 -1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.663 6.434 -1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.358 5.441 -0.761 1.00 0.00 H new ATOM 157 N LYS A 9 15.153 8.353 4.807 1.00 0.00 N ATOM 158 CA LYS A 9 13.997 9.221 5.126 1.00 0.00 C ATOM 159 C LYS A 9 13.623 10.117 3.938 1.00 0.00 C ATOM 160 O LYS A 9 14.476 10.444 3.111 1.00 0.00 O ATOM 161 CB LYS A 9 14.298 10.058 6.388 1.00 0.00 C ATOM 162 CG LYS A 9 14.657 9.238 7.643 1.00 0.00 C ATOM 163 CD LYS A 9 13.473 8.448 8.229 1.00 0.00 C ATOM 164 CE LYS A 9 13.912 7.381 9.245 1.00 0.00 C ATOM 165 NZ LYS A 9 14.628 7.957 10.417 1.00 0.00 N ATOM 0 H LYS A 9 15.962 8.879 4.477 1.00 0.00 H new ATOM 0 HA LYS A 9 13.135 8.585 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.122 10.736 6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.428 10.675 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.458 8.542 7.394 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.046 9.912 8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.784 9.141 8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.926 7.967 7.418 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.035 6.836 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.560 6.659 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.900 7.193 11.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.481 8.455 10.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.004 8.626 10.911 1.00 0.00 H new ATOM 179 N SER A 10 12.352 10.513 3.853 1.00 0.00 N ATOM 180 CA SER A 10 11.805 11.406 2.818 1.00 0.00 C ATOM 181 C SER A 10 10.554 12.150 3.321 1.00 0.00 C ATOM 182 O SER A 10 10.062 11.907 4.427 1.00 0.00 O ATOM 183 CB SER A 10 11.482 10.578 1.562 1.00 0.00 C ATOM 184 OG SER A 10 11.139 11.406 0.459 1.00 0.00 O ATOM 0 H SER A 10 11.646 10.212 4.525 1.00 0.00 H new ATOM 0 HA SER A 10 12.550 12.163 2.574 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.343 9.963 1.301 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.657 9.898 1.777 1.00 0.00 H new ATOM 0 HG SER A 10 10.942 10.847 -0.321 1.00 0.00 H new ATOM 190 N THR A 11 10.010 13.063 2.513 1.00 0.00 N ATOM 191 CA THR A 11 8.750 13.764 2.785 1.00 0.00 C ATOM 192 C THR A 11 7.985 14.013 1.483 1.00 0.00 C ATOM 193 O THR A 11 8.347 14.901 0.711 1.00 0.00 O ATOM 194 CB THR A 11 8.972 15.086 3.540 1.00 0.00 C ATOM 195 OG1 THR A 11 9.904 14.963 4.597 1.00 0.00 O ATOM 196 CG2 THR A 11 7.650 15.532 4.160 1.00 0.00 C ATOM 0 H THR A 11 10.441 13.343 1.632 1.00 0.00 H new ATOM 0 HA THR A 11 8.154 13.119 3.431 1.00 0.00 H new ATOM 0 HB THR A 11 9.357 15.802 2.814 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.010 15.830 5.042 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.798 16.469 4.697 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.910 15.678 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.297 14.768 4.853 1.00 0.00 H new ATOM 204 N ASN A 12 6.959 13.200 1.203 1.00 0.00 N ATOM 205 CA ASN A 12 6.135 13.265 -0.018 1.00 0.00 C ATOM 206 C ASN A 12 4.800 12.490 0.098 1.00 0.00 C ATOM 207 O ASN A 12 4.492 11.924 1.145 1.00 0.00 O ATOM 208 CB ASN A 12 6.959 12.853 -1.264 1.00 0.00 C ATOM 209 CG ASN A 12 7.277 11.383 -1.444 1.00 0.00 C ATOM 210 OD1 ASN A 12 7.082 10.834 -2.511 1.00 0.00 O ATOM 211 ND2 ASN A 12 7.840 10.711 -0.470 1.00 0.00 N ATOM 0 H ASN A 12 6.668 12.455 1.836 1.00 0.00 H new ATOM 0 HA ASN A 12 5.842 14.307 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.420 13.190 -2.149 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.902 13.399 -1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.110 9.738 -0.611 1.00 0.00 H new ATOM 0 HD22 ASN A 12 8.008 11.161 0.430 1.00 0.00 H new ATOM 218 N LYS A 13 3.988 12.530 -0.966 1.00 0.00 N ATOM 219 CA LYS A 13 2.722 11.794 -1.175 1.00 0.00 C ATOM 220 C LYS A 13 2.912 10.275 -1.355 1.00 0.00 C ATOM 221 O LYS A 13 4.031 9.790 -1.528 1.00 0.00 O ATOM 222 CB LYS A 13 1.962 12.419 -2.365 1.00 0.00 C ATOM 223 CG LYS A 13 2.754 12.662 -3.662 1.00 0.00 C ATOM 224 CD LYS A 13 2.629 14.099 -4.192 1.00 0.00 C ATOM 225 CE LYS A 13 3.624 15.061 -3.528 1.00 0.00 C ATOM 226 NZ LYS A 13 3.500 16.439 -4.071 1.00 0.00 N ATOM 0 H LYS A 13 4.210 13.121 -1.767 1.00 0.00 H new ATOM 0 HA LYS A 13 2.129 11.895 -0.266 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.117 11.772 -2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.550 13.374 -2.038 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.806 12.438 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.406 11.969 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 13 2.792 14.100 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.614 14.458 -4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.452 15.077 -2.452 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.640 14.698 -3.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.310 17.010 -3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.485 16.403 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.618 16.869 -3.727 1.00 0.00 H new ATOM 240 N PHE A 14 1.813 9.521 -1.359 1.00 0.00 N ATOM 241 CA PHE A 14 1.770 8.053 -1.448 1.00 0.00 C ATOM 242 C PHE A 14 0.602 7.561 -2.319 1.00 0.00 C ATOM 243 O PHE A 14 -0.495 8.123 -2.298 1.00 0.00 O ATOM 244 CB PHE A 14 1.707 7.440 -0.035 1.00 0.00 C ATOM 245 CG PHE A 14 0.674 8.055 0.899 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.685 7.687 0.820 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.075 9.023 1.839 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.641 8.324 1.635 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.121 9.643 2.664 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.240 9.323 2.540 1.00 0.00 C ATOM 0 H PHE A 14 0.882 9.932 -1.298 1.00 0.00 H new ATOM 0 HA PHE A 14 2.686 7.720 -1.936 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.498 6.374 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.690 7.533 0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.994 6.914 0.132 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.118 9.290 1.926 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.682 8.045 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.437 10.370 3.398 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.976 9.842 3.137 1.00 0.00 H new ATOM 260 N CYS A 15 0.839 6.513 -3.113 1.00 0.00 N ATOM 261 CA CYS A 15 -0.185 5.867 -3.938 1.00 0.00 C ATOM 262 C CYS A 15 -0.697 4.568 -3.298 1.00 0.00 C ATOM 263 O CYS A 15 0.068 3.763 -2.757 1.00 0.00 O ATOM 264 CB CYS A 15 0.334 5.607 -5.356 1.00 0.00 C ATOM 265 SG CYS A 15 -0.984 5.106 -6.503 1.00 0.00 S ATOM 0 H CYS A 15 1.760 6.084 -3.202 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.028 6.555 -4.003 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.815 6.509 -5.734 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.097 4.829 -5.323 1.00 0.00 H new ATOM 270 N VAL A 16 -2.005 4.352 -3.412 1.00 0.00 N ATOM 271 CA VAL A 16 -2.765 3.226 -2.824 1.00 0.00 C ATOM 272 C VAL A 16 -3.936 2.805 -3.736 1.00 0.00 C ATOM 273 O VAL A 16 -4.138 3.405 -4.791 1.00 0.00 O ATOM 274 CB VAL A 16 -3.270 3.579 -1.402 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.155 3.663 -0.360 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.050 4.892 -1.360 1.00 0.00 C ATOM 0 H VAL A 16 -2.605 4.984 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.087 2.377 -2.740 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.929 2.748 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.582 3.914 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.645 2.702 -0.295 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.441 4.433 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.379 5.088 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.409 5.707 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.919 4.820 -2.013 1.00 0.00 H new ATOM 286 N THR A 17 -4.732 1.804 -3.341 1.00 0.00 N ATOM 287 CA THR A 17 -5.924 1.327 -4.083 1.00 0.00 C ATOM 288 C THR A 17 -7.167 1.327 -3.186 1.00 0.00 C ATOM 289 O THR A 17 -7.199 0.594 -2.196 1.00 0.00 O ATOM 290 CB THR A 17 -5.704 -0.095 -4.631 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.419 -0.245 -5.197 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.708 -0.484 -5.707 1.00 0.00 C ATOM 0 H THR A 17 -4.569 1.286 -2.478 1.00 0.00 H new ATOM 0 HA THR A 17 -6.079 2.014 -4.915 1.00 0.00 H new ATOM 0 HB THR A 17 -5.828 -0.743 -3.764 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.314 -1.160 -5.533 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.498 -1.497 -6.051 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.717 -0.442 -5.296 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.629 0.208 -6.546 1.00 0.00 H new ATOM 300 N CYS A 18 -8.186 2.138 -3.502 1.00 0.00 N ATOM 301 CA CYS A 18 -9.475 2.120 -2.802 1.00 0.00 C ATOM 302 C CYS A 18 -10.409 1.060 -3.386 1.00 0.00 C ATOM 303 O CYS A 18 -10.624 0.992 -4.594 1.00 0.00 O ATOM 304 CB CYS A 18 -10.160 3.494 -2.823 1.00 0.00 C ATOM 305 SG CYS A 18 -9.783 4.544 -1.403 1.00 0.00 S ATOM 0 H CYS A 18 -8.138 2.827 -4.253 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.263 1.866 -1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.867 4.017 -3.733 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.239 3.347 -2.873 1.00 0.00 H new ATOM 310 N GLU A 19 -11.013 0.269 -2.506 1.00 0.00 N ATOM 311 CA GLU A 19 -12.032 -0.725 -2.829 1.00 0.00 C ATOM 312 C GLU A 19 -13.148 -0.629 -1.782 1.00 0.00 C ATOM 313 O GLU A 19 -12.910 -0.839 -0.592 1.00 0.00 O ATOM 314 CB GLU A 19 -11.403 -2.127 -2.889 1.00 0.00 C ATOM 315 CG GLU A 19 -12.344 -3.115 -3.589 1.00 0.00 C ATOM 316 CD GLU A 19 -11.853 -4.570 -3.461 1.00 0.00 C ATOM 317 OE1 GLU A 19 -10.975 -4.998 -4.247 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.376 -5.304 -2.586 1.00 0.00 O ATOM 0 H GLU A 19 -10.798 0.303 -1.509 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.463 -0.534 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.453 -2.082 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.186 -2.477 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.343 -3.030 -3.160 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.427 -2.852 -4.644 1.00 0.00 H new ATOM 325 N ASN A 20 -14.356 -0.263 -2.218 1.00 0.00 N ATOM 326 CA ASN A 20 -15.494 0.079 -1.352 1.00 0.00 C ATOM 327 C ASN A 20 -15.170 1.248 -0.385 1.00 0.00 C ATOM 328 O ASN A 20 -15.337 1.153 0.832 1.00 0.00 O ATOM 329 CB ASN A 20 -16.067 -1.185 -0.671 1.00 0.00 C ATOM 330 CG ASN A 20 -16.762 -2.141 -1.626 1.00 0.00 C ATOM 331 OD1 ASN A 20 -17.976 -2.284 -1.619 1.00 0.00 O ATOM 332 ND2 ASN A 20 -16.036 -2.830 -2.481 1.00 0.00 N ATOM 0 H ASN A 20 -14.579 -0.194 -3.211 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.298 0.469 -1.976 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.257 -1.714 -0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.774 -0.880 0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.487 -3.476 -3.129 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.022 -2.718 -2.495 1.00 0.00 H new ATOM 339 N GLN A 21 -14.748 2.383 -0.962 1.00 0.00 N ATOM 340 CA GLN A 21 -14.585 3.706 -0.327 1.00 0.00 C ATOM 341 C GLN A 21 -13.496 3.778 0.764 1.00 0.00 C ATOM 342 O GLN A 21 -13.561 4.616 1.667 1.00 0.00 O ATOM 343 CB GLN A 21 -15.937 4.249 0.183 1.00 0.00 C ATOM 344 CG GLN A 21 -17.066 4.238 -0.858 1.00 0.00 C ATOM 345 CD GLN A 21 -18.033 3.073 -0.677 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.640 2.866 0.365 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.244 2.284 -1.702 1.00 0.00 N ATOM 0 H GLN A 21 -14.494 2.406 -1.950 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.218 4.357 -1.121 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.249 3.658 1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.794 5.271 0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.619 5.175 -0.796 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.631 4.190 -1.856 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.746 2.442 -2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.906 1.512 -1.623 1.00 0.00 H new ATOM 356 N ALA A 22 -12.495 2.897 0.700 1.00 0.00 N ATOM 357 CA ALA A 22 -11.451 2.752 1.701 1.00 0.00 C ATOM 358 C ALA A 22 -10.214 2.073 1.072 1.00 0.00 C ATOM 359 O ALA A 22 -10.361 1.089 0.341 1.00 0.00 O ATOM 360 CB ALA A 22 -12.029 1.930 2.857 1.00 0.00 C ATOM 0 H ALA A 22 -12.391 2.246 -0.078 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.125 3.721 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.269 1.802 3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.890 2.450 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.340 0.953 2.488 1.00 0.00 H new ATOM 366 N PRO A 23 -9.000 2.606 1.293 1.00 0.00 N ATOM 367 CA PRO A 23 -7.761 2.070 0.741 1.00 0.00 C ATOM 368 C PRO A 23 -7.255 0.815 1.474 1.00 0.00 C ATOM 369 O PRO A 23 -6.737 0.881 2.585 1.00 0.00 O ATOM 370 CB PRO A 23 -6.793 3.246 0.761 1.00 0.00 C ATOM 371 CG PRO A 23 -7.241 4.051 1.976 1.00 0.00 C ATOM 372 CD PRO A 23 -8.752 3.881 1.947 1.00 0.00 C ATOM 0 HA PRO A 23 -7.895 1.692 -0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.759 2.914 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.855 3.833 -0.155 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.807 3.667 2.899 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.949 5.098 1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.165 3.889 2.956 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.226 4.698 1.402 1.00 0.00 H new ATOM 380 N VAL A 24 -7.395 -0.347 0.828 1.00 0.00 N ATOM 381 CA VAL A 24 -7.014 -1.682 1.318 1.00 0.00 C ATOM 382 C VAL A 24 -5.783 -2.252 0.588 1.00 0.00 C ATOM 383 O VAL A 24 -5.536 -3.452 0.664 1.00 0.00 O ATOM 384 CB VAL A 24 -8.221 -2.659 1.288 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.498 -2.025 1.861 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.599 -3.152 -0.113 1.00 0.00 C ATOM 0 H VAL A 24 -7.801 -0.387 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.715 -1.566 2.360 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.872 -3.495 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.313 -2.747 1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.326 -1.733 2.897 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.762 -1.145 1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.450 -3.829 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.863 -2.300 -0.739 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.752 -3.678 -0.554 1.00 0.00 H new ATOM 396 N HIS A 25 -5.009 -1.439 -0.153 1.00 0.00 N ATOM 397 CA HIS A 25 -3.795 -1.898 -0.864 1.00 0.00 C ATOM 398 C HIS A 25 -2.770 -0.769 -1.021 1.00 0.00 C ATOM 399 O HIS A 25 -3.157 0.371 -1.272 1.00 0.00 O ATOM 400 CB HIS A 25 -4.184 -2.436 -2.255 1.00 0.00 C ATOM 401 CG HIS A 25 -3.322 -3.562 -2.772 1.00 0.00 C ATOM 402 ND1 HIS A 25 -3.700 -4.887 -2.868 1.00 0.00 N ATOM 403 CD2 HIS A 25 -2.097 -3.431 -3.365 1.00 0.00 C ATOM 404 CE1 HIS A 25 -2.710 -5.557 -3.490 1.00 0.00 C ATOM 405 NE2 HIS A 25 -1.716 -4.693 -3.788 1.00 0.00 N ATOM 0 H HIS A 25 -5.204 -0.446 -0.278 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.337 -2.689 -0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.218 -2.779 -2.218 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.146 -1.613 -2.969 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -1.534 -2.517 -3.481 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -2.711 -6.614 -3.714 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -0.836 -4.929 -4.246 1.00 0.00 H new ATOM 414 N PHE A 26 -1.476 -1.084 -0.932 1.00 0.00 N ATOM 415 CA PHE A 26 -0.372 -0.132 -1.126 1.00 0.00 C ATOM 416 C PHE A 26 0.244 -0.265 -2.527 1.00 0.00 C ATOM 417 O PHE A 26 0.532 -1.378 -2.970 1.00 0.00 O ATOM 418 CB PHE A 26 0.691 -0.351 -0.036 1.00 0.00 C ATOM 419 CG PHE A 26 1.905 0.546 -0.180 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.760 1.944 -0.100 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.172 -0.013 -0.436 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.870 2.781 -0.300 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.282 0.824 -0.640 1.00 0.00 C ATOM 424 CZ PHE A 26 4.128 2.219 -0.580 1.00 0.00 C ATOM 0 H PHE A 26 -1.156 -2.029 -0.718 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.767 0.881 -1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.238 -0.180 0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.014 -1.392 -0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.793 2.374 0.116 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.291 -1.086 -0.476 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.758 3.853 -0.239 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.252 0.395 -0.843 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.979 2.862 -0.750 1.00 0.00 H new ATOM 434 N VAL A 27 0.450 0.860 -3.221 1.00 0.00 N ATOM 435 CA VAL A 27 1.004 0.894 -4.592 1.00 0.00 C ATOM 436 C VAL A 27 2.441 1.426 -4.617 1.00 0.00 C ATOM 437 O VAL A 27 3.318 0.770 -5.183 1.00 0.00 O ATOM 438 CB VAL A 27 0.100 1.702 -5.545 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.657 1.745 -6.972 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.320 1.136 -5.625 1.00 0.00 C ATOM 0 H VAL A 27 0.237 1.785 -2.849 1.00 0.00 H new ATOM 0 HA VAL A 27 1.032 -0.136 -4.947 1.00 0.00 H new ATOM 0 HB VAL A 27 0.074 2.706 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.013 2.325 -7.607 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.643 2.211 -6.964 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.738 0.730 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.915 1.741 -6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.282 0.109 -5.988 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.775 1.154 -4.635 1.00 0.00 H new ATOM 450 N GLY A 28 2.704 2.608 -4.046 1.00 0.00 N ATOM 451 CA GLY A 28 4.018 3.257 -4.134 1.00 0.00 C ATOM 452 C GLY A 28 4.108 4.607 -3.420 1.00 0.00 C ATOM 453 O GLY A 28 3.191 5.022 -2.712 1.00 0.00 O ATOM 0 H GLY A 28 2.016 3.139 -3.513 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.769 2.587 -3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.269 3.399 -5.185 1.00 0.00 H new ATOM 457 N VAL A 29 5.232 5.300 -3.605 1.00 0.00 N ATOM 458 CA VAL A 29 5.566 6.581 -2.952 1.00 0.00 C ATOM 459 C VAL A 29 5.926 7.624 -4.014 1.00 0.00 C ATOM 460 O VAL A 29 6.725 7.341 -4.909 1.00 0.00 O ATOM 461 CB VAL A 29 6.716 6.419 -1.935 1.00 0.00 C ATOM 462 CG1 VAL A 29 6.727 7.608 -0.982 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.600 5.161 -1.066 1.00 0.00 C ATOM 0 H VAL A 29 5.967 4.979 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 29 4.691 6.920 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 29 7.626 6.347 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 29 7.539 7.492 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.872 8.527 -1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.777 7.656 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.443 5.116 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.669 5.195 -0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.605 4.277 -1.703 1.00 0.00 H new ATOM 473 N GLY A 30 5.305 8.808 -3.962 1.00 0.00 N ATOM 474 CA GLY A 30 5.504 9.899 -4.933 1.00 0.00 C ATOM 475 C GLY A 30 5.060 9.616 -6.379 1.00 0.00 C ATOM 476 O GLY A 30 5.269 10.455 -7.257 1.00 0.00 O ATOM 0 H GLY A 30 4.635 9.043 -3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.966 10.777 -4.576 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.563 10.157 -4.945 1.00 0.00 H new ATOM 480 N SER A 31 4.478 8.443 -6.643 1.00 0.00 N ATOM 481 CA SER A 31 4.042 7.907 -7.943 1.00 0.00 C ATOM 482 C SER A 31 3.180 6.651 -7.738 1.00 0.00 C ATOM 483 O SER A 31 3.224 6.025 -6.676 1.00 0.00 O ATOM 484 CB SER A 31 5.260 7.518 -8.798 1.00 0.00 C ATOM 485 OG SER A 31 5.866 8.659 -9.381 1.00 0.00 O ATOM 0 H SER A 31 4.281 7.784 -5.890 1.00 0.00 H new ATOM 0 HA SER A 31 3.464 8.681 -8.448 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.988 6.993 -8.180 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.951 6.827 -9.582 1.00 0.00 H new ATOM 0 HG SER A 31 5.737 9.433 -8.794 1.00 0.00 H new ATOM 491 N CYS A 32 2.437 6.251 -8.773 1.00 0.00 N ATOM 492 CA CYS A 32 1.710 4.985 -8.864 1.00 0.00 C ATOM 493 C CYS A 32 2.403 4.056 -9.877 1.00 0.00 C ATOM 494 O CYS A 32 2.547 4.410 -11.051 1.00 0.00 O ATOM 495 CB CYS A 32 0.264 5.259 -9.294 1.00 0.00 C ATOM 496 SG CYS A 32 -0.736 6.259 -8.161 1.00 0.00 S ATOM 0 H CYS A 32 2.321 6.827 -9.607 1.00 0.00 H new ATOM 0 HA CYS A 32 1.705 4.495 -7.890 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.284 5.758 -10.263 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.237 4.302 -9.438 1.00 0.00 H new ATOM 501 N GLY A 33 2.842 2.876 -9.433 1.00 0.00 N ATOM 502 CA GLY A 33 3.421 1.844 -10.303 1.00 0.00 C ATOM 503 C GLY A 33 2.408 1.281 -11.314 1.00 0.00 C ATOM 504 O GLY A 33 1.209 1.202 -11.032 1.00 0.00 O ATOM 0 H GLY A 33 2.806 2.605 -8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.270 2.264 -10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.805 1.030 -9.688 1.00 0.00 H new ATOM 508 N SER A 34 2.891 0.872 -12.491 1.00 0.00 N ATOM 509 CA SER A 34 2.066 0.279 -13.558 1.00 0.00 C ATOM 510 C SER A 34 1.575 -1.137 -13.204 1.00 0.00 C ATOM 511 O SER A 34 2.205 -1.853 -12.418 1.00 0.00 O ATOM 512 CB SER A 34 2.874 0.258 -14.864 1.00 0.00 C ATOM 513 OG SER A 34 2.063 -0.078 -15.980 1.00 0.00 O ATOM 0 H SER A 34 3.878 0.943 -12.737 1.00 0.00 H new ATOM 0 HA SER A 34 1.175 0.895 -13.678 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.329 1.235 -15.026 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.688 -0.462 -14.776 1.00 0.00 H new ATOM 0 HG SER A 34 2.610 -0.080 -16.793 1.00 0.00 H new ATOM 519 N GLY A 35 0.468 -1.562 -13.820 1.00 0.00 N ATOM 520 CA GLY A 35 -0.051 -2.936 -13.771 1.00 0.00 C ATOM 521 C GLY A 35 0.660 -3.888 -14.748 1.00 0.00 C ATOM 522 O GLY A 35 1.608 -3.505 -15.443 1.00 0.00 O ATOM 0 H GLY A 35 -0.111 -0.941 -14.385 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.055 -3.321 -12.757 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.117 -2.923 -13.998 1.00 0.00 H new ATOM 526 N GLY A 36 0.188 -5.138 -14.819 1.00 0.00 N ATOM 527 CA GLY A 36 0.672 -6.146 -15.776 1.00 0.00 C ATOM 528 C GLY A 36 1.940 -6.898 -15.342 1.00 0.00 C ATOM 529 O GLY A 36 2.751 -7.275 -16.191 1.00 0.00 O ATOM 0 H GLY A 36 -0.550 -5.485 -14.207 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.122 -6.873 -15.948 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.867 -5.655 -16.730 1.00 0.00 H new ATOM 533 N SER A 37 2.122 -7.113 -14.035 1.00 0.00 N ATOM 534 CA SER A 37 3.272 -7.805 -13.423 1.00 0.00 C ATOM 535 C SER A 37 2.893 -9.149 -12.776 1.00 0.00 C ATOM 536 O SER A 37 1.731 -9.389 -12.433 1.00 0.00 O ATOM 537 CB SER A 37 3.942 -6.871 -12.401 1.00 0.00 C ATOM 538 OG SER A 37 3.024 -6.406 -11.420 1.00 0.00 O ATOM 0 H SER A 37 1.445 -6.798 -13.340 1.00 0.00 H new ATOM 0 HA SER A 37 3.975 -8.047 -14.220 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.760 -7.398 -11.910 1.00 0.00 H new ATOM 0 HB3 SER A 37 4.379 -6.019 -12.921 1.00 0.00 H new ATOM 0 HG SER A 37 3.489 -5.818 -10.789 1.00 0.00 H new ATOM 544 N GLY A 38 3.887 -10.023 -12.568 1.00 0.00 N ATOM 545 CA GLY A 38 3.734 -11.368 -11.983 1.00 0.00 C ATOM 546 C GLY A 38 4.047 -11.470 -10.480 1.00 0.00 C ATOM 547 O GLY A 38 4.040 -12.570 -9.923 1.00 0.00 O ATOM 0 H GLY A 38 4.854 -9.808 -12.810 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.710 -11.704 -12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.386 -12.057 -12.521 1.00 0.00 H new ATOM 551 N ILE A 39 4.355 -10.345 -9.823 1.00 0.00 N ATOM 552 CA ILE A 39 4.737 -10.255 -8.401 1.00 0.00 C ATOM 553 C ILE A 39 3.574 -10.706 -7.497 1.00 0.00 C ATOM 554 O ILE A 39 2.419 -10.327 -7.706 1.00 0.00 O ATOM 555 CB ILE A 39 5.179 -8.815 -8.044 1.00 0.00 C ATOM 556 CG1 ILE A 39 6.314 -8.298 -8.966 1.00 0.00 C ATOM 557 CG2 ILE A 39 5.634 -8.729 -6.572 1.00 0.00 C ATOM 558 CD1 ILE A 39 6.499 -6.776 -8.924 1.00 0.00 C ATOM 0 H ILE A 39 4.346 -9.434 -10.282 1.00 0.00 H new ATOM 0 HA ILE A 39 5.581 -10.923 -8.231 1.00 0.00 H new ATOM 0 HB ILE A 39 4.307 -8.178 -8.196 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.250 -8.777 -8.678 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.103 -8.601 -9.992 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.940 -7.708 -6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.809 -9.015 -5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.475 -9.404 -6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.310 -6.489 -9.594 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.577 -6.289 -9.241 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.742 -6.467 -7.907 1.00 0.00 H new ATOM 570 N PHE A 40 3.897 -11.498 -6.471 1.00 0.00 N ATOM 571 CA PHE A 40 2.946 -12.064 -5.498 1.00 0.00 C ATOM 572 C PHE A 40 3.532 -12.195 -4.071 1.00 0.00 C ATOM 573 O PHE A 40 3.030 -12.961 -3.246 1.00 0.00 O ATOM 574 CB PHE A 40 2.426 -13.408 -6.049 1.00 0.00 C ATOM 575 CG PHE A 40 1.033 -13.776 -5.565 1.00 0.00 C ATOM 576 CD1 PHE A 40 -0.090 -13.148 -6.140 1.00 0.00 C ATOM 577 CD2 PHE A 40 0.850 -14.733 -4.547 1.00 0.00 C ATOM 578 CE1 PHE A 40 -1.386 -13.470 -5.698 1.00 0.00 C ATOM 579 CE2 PHE A 40 -0.446 -15.053 -4.103 1.00 0.00 C ATOM 580 CZ PHE A 40 -1.564 -14.421 -4.678 1.00 0.00 C ATOM 0 H PHE A 40 4.861 -11.775 -6.284 1.00 0.00 H new ATOM 0 HA PHE A 40 2.113 -11.371 -5.382 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.422 -13.365 -7.138 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.120 -14.199 -5.764 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.045 -12.417 -6.923 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.706 -15.222 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.244 -12.987 -6.142 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.583 -15.784 -3.320 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.559 -14.666 -4.336 1.00 0.00 H new ATOM 590 N LEU A 41 4.621 -11.474 -3.765 1.00 0.00 N ATOM 591 CA LEU A 41 5.363 -11.589 -2.496 1.00 0.00 C ATOM 592 C LEU A 41 4.802 -10.660 -1.401 1.00 0.00 C ATOM 593 O LEU A 41 5.159 -10.777 -0.227 1.00 0.00 O ATOM 594 CB LEU A 41 6.860 -11.290 -2.750 1.00 0.00 C ATOM 595 CG LEU A 41 7.726 -12.453 -3.280 1.00 0.00 C ATOM 596 CD1 LEU A 41 7.846 -13.594 -2.266 1.00 0.00 C ATOM 597 CD2 LEU A 41 7.244 -13.028 -4.613 1.00 0.00 C ATOM 0 H LEU A 41 5.019 -10.783 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 41 5.246 -12.609 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.925 -10.467 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.299 -10.939 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 41 8.705 -12.002 -3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.464 -14.389 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.305 -13.220 -1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.854 -13.986 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.904 -13.840 -4.919 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.229 -13.408 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.256 -12.246 -5.372 1.00 0.00 H new ATOM 609 N GLU A 42 3.924 -9.733 -1.784 1.00 0.00 N ATOM 610 CA GLU A 42 3.265 -8.756 -0.919 1.00 0.00 C ATOM 611 C GLU A 42 2.186 -9.377 -0.007 1.00 0.00 C ATOM 612 O GLU A 42 1.750 -10.515 -0.197 1.00 0.00 O ATOM 613 CB GLU A 42 2.652 -7.665 -1.823 1.00 0.00 C ATOM 614 CG GLU A 42 3.015 -6.242 -1.402 1.00 0.00 C ATOM 615 CD GLU A 42 4.534 -5.974 -1.442 1.00 0.00 C ATOM 616 OE1 GLU A 42 5.088 -5.749 -2.545 1.00 0.00 O ATOM 617 OE2 GLU A 42 5.176 -5.979 -0.365 1.00 0.00 O ATOM 0 H GLU A 42 3.638 -9.639 -2.759 1.00 0.00 H new ATOM 0 HA GLU A 42 4.010 -8.336 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.984 -7.827 -2.848 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.567 -7.770 -1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.509 -5.534 -2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.646 -6.062 -0.392 1.00 0.00 H new ATOM 624 N THR A 43 1.710 -8.595 0.967 1.00 0.00 N ATOM 625 CA THR A 43 0.622 -8.999 1.886 1.00 0.00 C ATOM 626 C THR A 43 -0.735 -9.118 1.173 1.00 0.00 C ATOM 627 O THR A 43 -1.541 -9.980 1.523 1.00 0.00 O ATOM 628 CB THR A 43 0.516 -8.002 3.054 1.00 0.00 C ATOM 629 OG1 THR A 43 1.749 -7.931 3.740 1.00 0.00 O ATOM 630 CG2 THR A 43 -0.534 -8.380 4.098 1.00 0.00 C ATOM 0 H THR A 43 2.066 -7.656 1.148 1.00 0.00 H new ATOM 0 HA THR A 43 0.876 -9.988 2.268 1.00 0.00 H new ATOM 0 HB THR A 43 0.231 -7.056 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.593 -8.022 4.703 1.00 0.00 H new ATOM 0 HG21 THR A 43 -0.548 -7.629 4.888 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.515 -8.429 3.626 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.288 -9.352 4.526 1.00 0.00 H new ATOM 638 N SER A 44 -0.977 -8.277 0.157 1.00 0.00 N ATOM 639 CA SER A 44 -2.227 -8.152 -0.615 1.00 0.00 C ATOM 640 C SER A 44 -3.497 -8.136 0.258 1.00 0.00 C ATOM 641 O SER A 44 -4.291 -9.080 0.292 1.00 0.00 O ATOM 642 CB SER A 44 -2.279 -9.203 -1.731 1.00 0.00 C ATOM 643 OG SER A 44 -3.247 -8.819 -2.693 1.00 0.00 O ATOM 0 H SER A 44 -0.263 -7.625 -0.169 1.00 0.00 H new ATOM 0 HA SER A 44 -2.214 -7.168 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.300 -9.299 -2.201 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.530 -10.179 -1.315 1.00 0.00 H new ATOM 0 HG SER A 44 -3.281 -9.488 -3.408 1.00 0.00 H new ATOM 649 N LEU A 45 -3.702 -7.019 0.967 1.00 0.00 N ATOM 650 CA LEU A 45 -4.829 -6.792 1.889 1.00 0.00 C ATOM 651 C LEU A 45 -6.214 -6.669 1.199 1.00 0.00 C ATOM 652 O LEU A 45 -7.236 -6.534 1.873 1.00 0.00 O ATOM 653 CB LEU A 45 -4.517 -5.573 2.790 1.00 0.00 C ATOM 654 CG LEU A 45 -3.394 -5.826 3.818 1.00 0.00 C ATOM 655 CD1 LEU A 45 -2.055 -5.256 3.335 1.00 0.00 C ATOM 656 CD2 LEU A 45 -3.718 -5.146 5.144 1.00 0.00 C ATOM 0 H LEU A 45 -3.069 -6.221 0.915 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.922 -7.688 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.235 -4.730 2.159 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.424 -5.285 3.321 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.320 -6.907 3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.286 -5.451 4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.776 -5.730 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.150 -4.181 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.915 -5.336 5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.818 -4.072 4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.653 -5.544 5.538 1.00 0.00 H new ATOM 668 N SER A 46 -6.274 -6.769 -0.133 1.00 0.00 N ATOM 669 CA SER A 46 -7.504 -6.719 -0.946 1.00 0.00 C ATOM 670 C SER A 46 -8.523 -7.824 -0.648 1.00 0.00 C ATOM 671 O SER A 46 -9.729 -7.589 -0.752 1.00 0.00 O ATOM 672 CB SER A 46 -7.150 -6.792 -2.433 1.00 0.00 C ATOM 673 OG SER A 46 -6.406 -5.646 -2.810 1.00 0.00 O ATOM 0 H SER A 46 -5.436 -6.892 -0.701 1.00 0.00 H new ATOM 0 HA SER A 46 -7.975 -5.773 -0.680 1.00 0.00 H new ATOM 0 HB2 SER A 46 -6.572 -7.694 -2.634 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.060 -6.858 -3.029 1.00 0.00 H new ATOM 0 HG SER A 46 -5.453 -5.806 -2.647 1.00 0.00 H new ATOM 679 N ALA A 47 -8.064 -9.025 -0.280 1.00 0.00 N ATOM 680 CA ALA A 47 -8.901 -10.201 -0.034 1.00 0.00 C ATOM 681 C ALA A 47 -8.462 -10.922 1.253 1.00 0.00 C ATOM 682 O ALA A 47 -7.350 -11.450 1.338 1.00 0.00 O ATOM 683 CB ALA A 47 -8.863 -11.107 -1.272 1.00 0.00 C ATOM 0 H ALA A 47 -7.070 -9.209 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 47 -9.936 -9.901 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -9.484 -11.986 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.242 -10.560 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.836 -11.420 -1.463 1.00 0.00 H new ATOM 689 N GLY A 48 -9.328 -10.904 2.270 1.00 0.00 N ATOM 690 CA GLY A 48 -9.067 -11.452 3.610 1.00 0.00 C ATOM 691 C GLY A 48 -8.581 -10.422 4.643 1.00 0.00 C ATOM 692 O GLY A 48 -8.361 -10.787 5.801 1.00 0.00 O ATOM 0 H GLY A 48 -10.259 -10.496 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.981 -11.916 3.982 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -8.320 -12.241 3.525 1.00 0.00 H new ATOM 696 N SER A 49 -8.439 -9.146 4.260 1.00 0.00 N ATOM 697 CA SER A 49 -8.112 -8.016 5.143 1.00 0.00 C ATOM 698 C SER A 49 -8.985 -6.793 4.817 1.00 0.00 C ATOM 699 O SER A 49 -9.990 -6.904 4.107 1.00 0.00 O ATOM 700 CB SER A 49 -6.620 -7.661 5.062 1.00 0.00 C ATOM 701 OG SER A 49 -5.767 -8.790 5.178 1.00 0.00 O ATOM 0 H SER A 49 -8.553 -8.860 3.288 1.00 0.00 H new ATOM 0 HA SER A 49 -8.327 -8.322 6.167 1.00 0.00 H new ATOM 0 HB2 SER A 49 -6.423 -7.162 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.379 -6.950 5.852 1.00 0.00 H new ATOM 0 HG SER A 49 -4.832 -8.501 5.118 1.00 0.00 H new ATOM 707 N ASP A 50 -8.654 -5.628 5.376 1.00 0.00 N ATOM 708 CA ASP A 50 -9.407 -4.384 5.236 1.00 0.00 C ATOM 709 C ASP A 50 -8.472 -3.170 5.399 1.00 0.00 C ATOM 710 O ASP A 50 -7.323 -3.284 5.833 1.00 0.00 O ATOM 711 CB ASP A 50 -10.538 -4.362 6.291 1.00 0.00 C ATOM 712 CG ASP A 50 -11.815 -3.658 5.797 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.711 -2.543 5.236 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.924 -4.212 5.987 1.00 0.00 O ATOM 0 H ASP A 50 -7.824 -5.523 5.959 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.848 -4.328 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.782 -5.386 6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.178 -3.860 7.189 1.00 0.00 H new ATOM 719 N TRP A 51 -8.994 -1.980 5.125 1.00 0.00 N ATOM 720 CA TRP A 51 -8.394 -0.687 5.456 1.00 0.00 C ATOM 721 C TRP A 51 -8.088 -0.578 6.963 1.00 0.00 C ATOM 722 O TRP A 51 -7.066 -0.020 7.371 1.00 0.00 O ATOM 723 CB TRP A 51 -9.350 0.422 4.992 1.00 0.00 C ATOM 724 CG TRP A 51 -9.363 1.642 5.857 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.359 2.015 6.694 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.307 2.633 6.012 1.00 0.00 C ATOM 727 NE1 TRP A 51 -9.973 3.153 7.374 1.00 0.00 N ATOM 728 CE2 TRP A 51 -8.752 3.619 6.937 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.019 2.799 5.469 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -7.992 4.755 7.246 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.227 3.911 5.803 1.00 0.00 C ATOM 732 CH2 TRP A 51 -6.717 4.900 6.675 1.00 0.00 C ATOM 0 H TRP A 51 -9.888 -1.883 4.644 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.439 -0.583 4.941 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.078 0.716 3.978 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.360 0.016 4.946 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.304 1.505 6.811 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.524 3.595 8.110 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.633 2.059 4.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.381 5.509 7.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.235 4.007 5.387 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.115 5.767 6.904 1.00 0.00 H new ATOM 743 N LEU A 52 -8.964 -1.143 7.801 1.00 0.00 N ATOM 744 CA LEU A 52 -8.855 -1.130 9.260 1.00 0.00 C ATOM 745 C LEU A 52 -7.561 -1.802 9.760 1.00 0.00 C ATOM 746 O LEU A 52 -6.984 -1.354 10.748 1.00 0.00 O ATOM 747 CB LEU A 52 -10.132 -1.766 9.857 1.00 0.00 C ATOM 748 CG LEU A 52 -10.779 -1.003 11.032 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.841 -0.811 12.223 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.328 0.362 10.605 1.00 0.00 C ATOM 0 H LEU A 52 -9.793 -1.637 7.470 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.782 -0.099 9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.871 -1.864 9.062 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.889 -2.774 10.193 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.603 -1.641 11.351 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.361 -0.267 13.012 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.527 -1.785 12.599 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.965 -0.244 11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.773 0.861 11.466 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.516 0.974 10.211 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.086 0.224 9.834 1.00 0.00 H new ATOM 762 N THR A 53 -7.059 -2.823 9.054 1.00 0.00 N ATOM 763 CA THR A 53 -5.781 -3.501 9.347 1.00 0.00 C ATOM 764 C THR A 53 -4.608 -3.004 8.492 1.00 0.00 C ATOM 765 O THR A 53 -3.471 -3.024 8.962 1.00 0.00 O ATOM 766 CB THR A 53 -5.928 -5.026 9.233 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.551 -5.404 8.024 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.786 -5.582 10.372 1.00 0.00 C ATOM 0 H THR A 53 -7.539 -3.213 8.243 1.00 0.00 H new ATOM 0 HA THR A 53 -5.537 -3.241 10.377 1.00 0.00 H new ATOM 0 HB THR A 53 -4.916 -5.430 9.276 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.626 -6.380 7.986 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.874 -6.663 10.267 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.318 -5.347 11.328 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.778 -5.132 10.333 1.00 0.00 H new ATOM 776 N PHE A 54 -4.861 -2.448 7.302 1.00 0.00 N ATOM 777 CA PHE A 54 -3.879 -1.753 6.449 1.00 0.00 C ATOM 778 C PHE A 54 -3.120 -0.644 7.190 1.00 0.00 C ATOM 779 O PHE A 54 -1.904 -0.514 7.038 1.00 0.00 O ATOM 780 CB PHE A 54 -4.622 -1.192 5.227 1.00 0.00 C ATOM 781 CG PHE A 54 -3.828 -0.268 4.330 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.839 1.121 4.566 1.00 0.00 C ATOM 783 CD2 PHE A 54 -3.110 -0.785 3.239 1.00 0.00 C ATOM 784 CE1 PHE A 54 -3.138 1.992 3.715 1.00 0.00 C ATOM 785 CE2 PHE A 54 -2.400 0.086 2.399 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.411 1.471 2.633 1.00 0.00 C ATOM 0 H PHE A 54 -5.792 -2.468 6.886 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.118 -2.470 6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -4.977 -2.030 4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.503 -0.655 5.578 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -4.389 1.519 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.105 -1.848 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.158 3.057 3.892 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.840 -0.312 1.565 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.861 2.134 1.982 1.00 0.00 H new ATOM 796 N GLN A 55 -3.822 0.117 8.034 1.00 0.00 N ATOM 797 CA GLN A 55 -3.220 1.107 8.932 1.00 0.00 C ATOM 798 C GLN A 55 -2.195 0.457 9.865 1.00 0.00 C ATOM 799 O GLN A 55 -1.008 0.769 9.790 1.00 0.00 O ATOM 800 CB GLN A 55 -4.309 1.805 9.750 1.00 0.00 C ATOM 801 CG GLN A 55 -5.135 2.750 8.879 1.00 0.00 C ATOM 802 CD GLN A 55 -6.492 2.982 9.515 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.718 3.907 10.284 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.432 2.113 9.236 1.00 0.00 N ATOM 0 H GLN A 55 -4.837 0.062 8.114 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.700 1.846 8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.962 1.059 10.202 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.852 2.365 10.566 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.612 3.699 8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.258 2.326 7.882 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.241 1.343 8.595 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.355 2.206 9.660 1.00 0.00 H new ATOM 813 N LYS A 56 -2.640 -0.489 10.707 1.00 0.00 N ATOM 814 CA LYS A 56 -1.753 -1.211 11.649 1.00 0.00 C ATOM 815 C LYS A 56 -0.540 -1.872 10.965 1.00 0.00 C ATOM 816 O LYS A 56 0.513 -2.010 11.592 1.00 0.00 O ATOM 817 CB LYS A 56 -2.517 -2.270 12.470 1.00 0.00 C ATOM 818 CG LYS A 56 -3.484 -1.716 13.533 1.00 0.00 C ATOM 819 CD LYS A 56 -4.901 -1.480 12.991 1.00 0.00 C ATOM 820 CE LYS A 56 -5.909 -1.043 14.064 1.00 0.00 C ATOM 821 NZ LYS A 56 -6.209 -2.124 15.044 1.00 0.00 N ATOM 0 H LYS A 56 -3.617 -0.778 10.759 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.376 -0.440 12.321 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.083 -2.899 11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.790 -2.914 12.966 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.533 -2.412 14.370 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.089 -0.778 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.860 -0.718 12.212 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.258 -2.397 12.522 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.516 -0.176 14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.834 -0.729 13.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.932 -1.794 15.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.562 -2.962 14.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.343 -2.372 15.563 1.00 0.00 H new ATOM 835 N LYS A 57 -0.675 -2.257 9.689 1.00 0.00 N ATOM 836 CA LYS A 57 0.360 -2.924 8.878 1.00 0.00 C ATOM 837 C LYS A 57 1.586 -2.043 8.578 1.00 0.00 C ATOM 838 O LYS A 57 2.703 -2.548 8.673 1.00 0.00 O ATOM 839 CB LYS A 57 -0.304 -3.511 7.613 1.00 0.00 C ATOM 840 CG LYS A 57 0.550 -4.558 6.875 1.00 0.00 C ATOM 841 CD LYS A 57 1.366 -3.961 5.717 1.00 0.00 C ATOM 842 CE LYS A 57 2.283 -5.000 5.057 1.00 0.00 C ATOM 843 NZ LYS A 57 3.462 -5.335 5.900 1.00 0.00 N ATOM 0 H LYS A 57 -1.541 -2.108 9.171 1.00 0.00 H new ATOM 0 HA LYS A 57 0.784 -3.739 9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.253 -3.967 7.894 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.532 -2.696 6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.229 -5.030 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.101 -5.341 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.687 -3.552 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.968 -3.132 6.089 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.714 -5.908 4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.625 -4.619 4.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.050 -6.040 5.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.022 -4.476 6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.140 -5.724 6.809 1.00 0.00 H new ATOM 857 N HIS A 58 1.422 -0.767 8.187 1.00 0.00 N ATOM 858 CA HIS A 58 2.557 0.123 7.832 1.00 0.00 C ATOM 859 C HIS A 58 2.299 1.642 7.971 1.00 0.00 C ATOM 860 O HIS A 58 2.972 2.452 7.338 1.00 0.00 O ATOM 861 CB HIS A 58 3.040 -0.221 6.411 1.00 0.00 C ATOM 862 CG HIS A 58 2.078 0.239 5.347 1.00 0.00 C ATOM 863 ND1 HIS A 58 2.272 1.350 4.553 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.815 -0.244 5.123 1.00 0.00 C ATOM 865 CE1 HIS A 58 1.132 1.547 3.862 1.00 0.00 C ATOM 866 NE2 HIS A 58 0.236 0.592 4.191 1.00 0.00 N ATOM 0 H HIS A 58 0.509 -0.320 8.106 1.00 0.00 H new ATOM 0 HA HIS A 58 3.329 -0.076 8.575 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.013 0.240 6.240 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.179 -1.299 6.329 1.00 0.00 H new ATOM 0 HD2 HIS A 58 0.362 -1.109 5.585 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.961 2.345 3.155 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -0.708 0.504 3.815 1.00 0.00 H new ATOM 875 N ILE A 59 1.328 2.063 8.770 1.00 0.00 N ATOM 876 CA ILE A 59 0.964 3.478 8.992 1.00 0.00 C ATOM 877 C ILE A 59 0.943 3.768 10.494 1.00 0.00 C ATOM 878 O ILE A 59 0.608 2.900 11.304 1.00 0.00 O ATOM 879 CB ILE A 59 -0.382 3.830 8.303 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.326 3.420 6.809 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.744 5.320 8.467 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.367 4.062 5.886 1.00 0.00 C ATOM 0 H ILE A 59 0.746 1.417 9.304 1.00 0.00 H new ATOM 0 HA ILE A 59 1.716 4.119 8.532 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.175 3.266 8.794 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.665 3.661 6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.437 2.337 6.748 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.693 5.521 7.969 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.832 5.558 9.527 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.037 5.935 8.021 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.226 3.697 4.869 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.368 3.801 6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.249 5.145 5.902 1.00 0.00 H new ATOM 894 N THR A 60 1.314 4.989 10.880 1.00 0.00 N ATOM 895 CA THR A 60 1.293 5.419 12.288 1.00 0.00 C ATOM 896 C THR A 60 0.905 6.889 12.476 1.00 0.00 C ATOM 897 O THR A 60 1.123 7.730 11.604 1.00 0.00 O ATOM 898 CB THR A 60 2.638 5.095 12.961 1.00 0.00 C ATOM 899 OG1 THR A 60 2.566 5.433 14.327 1.00 0.00 O ATOM 900 CG2 THR A 60 3.839 5.822 12.351 1.00 0.00 C ATOM 0 H THR A 60 1.637 5.708 10.233 1.00 0.00 H new ATOM 0 HA THR A 60 0.504 4.851 12.780 1.00 0.00 H new ATOM 0 HB THR A 60 2.800 4.028 12.807 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.457 5.683 14.649 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.746 5.537 12.884 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.935 5.548 11.300 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.693 6.899 12.434 1.00 0.00 H new ATOM 908 N ASN A 61 0.365 7.206 13.656 1.00 0.00 N ATOM 909 CA ASN A 61 0.138 8.559 14.160 1.00 0.00 C ATOM 910 C ASN A 61 1.360 9.111 14.937 1.00 0.00 C ATOM 911 O ASN A 61 1.302 10.223 15.465 1.00 0.00 O ATOM 912 CB ASN A 61 -1.137 8.526 15.021 1.00 0.00 C ATOM 913 CG ASN A 61 -2.397 8.356 14.183 1.00 0.00 C ATOM 914 OD1 ASN A 61 -2.892 9.289 13.568 1.00 0.00 O ATOM 915 ND2 ASN A 61 -2.967 7.171 14.139 1.00 0.00 N ATOM 0 H ASN A 61 0.060 6.490 14.316 1.00 0.00 H new ATOM 0 HA ASN A 61 0.004 9.248 13.326 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.067 7.708 15.738 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.208 9.449 15.596 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.818 7.034 13.593 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.558 6.389 14.650 1.00 0.00 H new ATOM 922 N THR A 62 2.459 8.350 15.025 1.00 0.00 N ATOM 923 CA THR A 62 3.750 8.743 15.620 1.00 0.00 C ATOM 924 C THR A 62 4.884 7.801 15.175 1.00 0.00 C ATOM 925 O THR A 62 4.955 6.638 15.585 1.00 0.00 O ATOM 926 CB THR A 62 3.653 8.846 17.158 1.00 0.00 C ATOM 927 OG1 THR A 62 4.912 9.198 17.694 1.00 0.00 O ATOM 928 CG2 THR A 62 3.144 7.597 17.885 1.00 0.00 C ATOM 0 H THR A 62 2.476 7.395 14.666 1.00 0.00 H new ATOM 0 HA THR A 62 3.997 9.737 15.248 1.00 0.00 H new ATOM 0 HB THR A 62 2.899 9.614 17.330 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.845 9.264 18.670 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.118 7.786 18.958 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.140 7.356 17.535 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.811 6.760 17.680 1.00 0.00 H new ATOM 936 N ARG A 63 5.777 8.266 14.285 1.00 0.00 N ATOM 937 CA ARG A 63 7.006 7.535 13.922 1.00 0.00 C ATOM 938 C ARG A 63 7.964 7.478 15.124 1.00 0.00 C ATOM 939 O ARG A 63 8.506 8.501 15.540 1.00 0.00 O ATOM 940 CB ARG A 63 7.690 8.177 12.700 1.00 0.00 C ATOM 941 CG ARG A 63 8.919 7.368 12.259 1.00 0.00 C ATOM 942 CD ARG A 63 9.774 8.118 11.240 1.00 0.00 C ATOM 943 NE ARG A 63 10.558 9.205 11.870 1.00 0.00 N ATOM 944 CZ ARG A 63 10.306 10.503 11.896 1.00 0.00 C ATOM 945 NH1 ARG A 63 9.250 11.018 11.338 1.00 0.00 N ATOM 946 NH2 ARG A 63 11.121 11.321 12.496 1.00 0.00 N ATOM 0 H ARG A 63 5.669 9.156 13.798 1.00 0.00 H new ATOM 0 HA ARG A 63 6.734 6.515 13.649 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.980 8.242 11.876 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.991 9.196 12.943 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.526 7.129 13.132 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.592 6.421 11.829 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.452 7.419 10.750 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.132 8.536 10.465 1.00 0.00 H new ATOM 0 HE ARG A 63 11.409 8.912 12.350 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.581 10.415 10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.091 12.025 11.380 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.961 10.962 12.950 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.920 12.321 12.512 1.00 0.00 H new ATOM 960 N ASP A 64 8.208 6.272 15.638 1.00 0.00 N ATOM 961 CA ASP A 64 9.148 5.990 16.741 1.00 0.00 C ATOM 962 C ASP A 64 10.182 4.890 16.398 1.00 0.00 C ATOM 963 O ASP A 64 10.971 4.465 17.246 1.00 0.00 O ATOM 964 CB ASP A 64 8.323 5.659 17.996 1.00 0.00 C ATOM 965 CG ASP A 64 9.158 5.647 19.292 1.00 0.00 C ATOM 966 OD1 ASP A 64 9.845 6.656 19.585 1.00 0.00 O ATOM 967 OD2 ASP A 64 9.084 4.651 20.053 1.00 0.00 O ATOM 0 H ASP A 64 7.745 5.432 15.291 1.00 0.00 H new ATOM 0 HA ASP A 64 9.757 6.875 16.925 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.520 6.389 18.097 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.853 4.684 17.866 1.00 0.00 H new ATOM 972 N VAL A 65 10.182 4.412 15.148 1.00 0.00 N ATOM 973 CA VAL A 65 11.049 3.329 14.652 1.00 0.00 C ATOM 974 C VAL A 65 12.522 3.750 14.513 1.00 0.00 C ATOM 975 O VAL A 65 12.838 4.903 14.213 1.00 0.00 O ATOM 976 CB VAL A 65 10.480 2.777 13.326 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.463 3.803 12.187 1.00 0.00 C ATOM 978 CG2 VAL A 65 11.240 1.539 12.852 1.00 0.00 C ATOM 0 H VAL A 65 9.559 4.778 14.428 1.00 0.00 H new ATOM 0 HA VAL A 65 11.048 2.535 15.398 1.00 0.00 H new ATOM 0 HB VAL A 65 9.448 2.516 13.561 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.051 3.343 11.289 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.847 4.655 12.474 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.480 4.142 11.987 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.808 1.183 11.917 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.288 1.794 12.694 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.167 0.756 13.607 1.00 0.00 H new ATOM 988 N ASP A 66 13.428 2.780 14.678 1.00 0.00 N ATOM 989 CA ASP A 66 14.882 2.905 14.461 1.00 0.00 C ATOM 990 C ASP A 66 15.468 1.742 13.620 1.00 0.00 C ATOM 991 O ASP A 66 16.677 1.671 13.402 1.00 0.00 O ATOM 992 CB ASP A 66 15.554 3.026 15.840 1.00 0.00 C ATOM 993 CG ASP A 66 17.020 3.500 15.775 1.00 0.00 C ATOM 994 OD1 ASP A 66 17.297 4.539 15.127 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.887 2.879 16.434 1.00 0.00 O ATOM 0 H ASP A 66 13.161 1.843 14.980 1.00 0.00 H new ATOM 0 HA ASP A 66 15.084 3.798 13.870 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.983 3.723 16.453 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.516 2.058 16.339 1.00 0.00 H new ATOM 1000 N CYS A 67 14.608 0.827 13.144 1.00 0.00 N ATOM 1001 CA CYS A 67 14.925 -0.445 12.474 1.00 0.00 C ATOM 1002 C CYS A 67 16.031 -1.229 13.211 1.00 0.00 C ATOM 1003 O CYS A 67 17.099 -1.542 12.687 1.00 0.00 O ATOM 1004 CB CYS A 67 15.101 -0.200 10.971 1.00 0.00 C ATOM 1005 SG CYS A 67 13.528 0.345 10.246 1.00 0.00 S ATOM 0 H CYS A 67 13.601 0.967 13.223 1.00 0.00 H new ATOM 0 HA CYS A 67 14.091 -1.143 12.539 1.00 0.00 H new ATOM 0 HB2 CYS A 67 15.869 0.555 10.804 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.440 -1.113 10.482 1.00 0.00 H new ATOM 1010 N ASP A 68 15.725 -1.500 14.485 1.00 0.00 N ATOM 1011 CA ASP A 68 16.636 -1.922 15.553 1.00 0.00 C ATOM 1012 C ASP A 68 15.892 -2.682 16.672 1.00 0.00 C ATOM 1013 O ASP A 68 16.340 -3.735 17.118 1.00 0.00 O ATOM 1014 CB ASP A 68 17.298 -0.658 16.126 1.00 0.00 C ATOM 1015 CG ASP A 68 18.450 -0.989 17.081 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.582 -1.197 16.587 1.00 0.00 O ATOM 1017 OD2 ASP A 68 18.225 -1.051 18.313 1.00 0.00 O ATOM 0 H ASP A 68 14.764 -1.424 14.820 1.00 0.00 H new ATOM 0 HA ASP A 68 17.381 -2.605 15.145 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.672 -0.043 15.307 1.00 0.00 H new ATOM 0 HB3 ASP A 68 16.550 -0.066 16.653 1.00 0.00 H new ATOM 1022 N ASN A 69 14.721 -2.177 17.085 1.00 0.00 N ATOM 1023 CA ASN A 69 13.878 -2.690 18.175 1.00 0.00 C ATOM 1024 C ASN A 69 12.526 -3.256 17.695 1.00 0.00 C ATOM 1025 O ASN A 69 11.745 -3.766 18.501 1.00 0.00 O ATOM 1026 CB ASN A 69 13.698 -1.596 19.236 1.00 0.00 C ATOM 1027 CG ASN A 69 12.998 -0.363 18.699 1.00 0.00 C ATOM 1028 OD1 ASN A 69 11.782 -0.274 18.628 1.00 0.00 O ATOM 1029 ND2 ASN A 69 13.762 0.610 18.267 1.00 0.00 N ATOM 0 H ASN A 69 14.313 -1.353 16.643 1.00 0.00 H new ATOM 0 HA ASN A 69 14.394 -3.542 18.618 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.125 -1.998 20.072 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.675 -1.312 19.627 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.342 1.449 17.868 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.777 0.528 18.330 1.00 0.00 H new ATOM 1036 N ILE A 70 12.260 -3.227 16.379 1.00 0.00 N ATOM 1037 CA ILE A 70 11.010 -3.703 15.752 1.00 0.00 C ATOM 1038 C ILE A 70 10.725 -5.192 15.983 1.00 0.00 C ATOM 1039 O ILE A 70 9.602 -5.640 15.765 1.00 0.00 O ATOM 1040 CB ILE A 70 10.977 -3.357 14.250 1.00 0.00 C ATOM 1041 CG1 ILE A 70 12.023 -4.159 13.438 1.00 0.00 C ATOM 1042 CG2 ILE A 70 11.121 -1.834 14.095 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.205 -3.651 12.009 1.00 0.00 C ATOM 0 H ILE A 70 12.927 -2.861 15.699 1.00 0.00 H new ATOM 0 HA ILE A 70 10.205 -3.168 16.255 1.00 0.00 H new ATOM 0 HB ILE A 70 10.018 -3.658 13.827 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.982 -4.118 13.955 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.722 -5.206 13.407 1.00 0.00 H new ATOM 0 HG21 ILE A 70 11.100 -1.572 13.037 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.298 -1.337 14.609 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.067 -1.512 14.529 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.952 -4.259 11.499 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.257 -3.718 11.475 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.536 -2.613 12.031 1.00 0.00 H new ATOM 1055 N MET A 71 11.701 -5.941 16.505 1.00 0.00 N ATOM 1056 CA MET A 71 11.508 -7.305 17.025 1.00 0.00 C ATOM 1057 C MET A 71 10.404 -7.413 18.101 1.00 0.00 C ATOM 1058 O MET A 71 9.785 -8.468 18.246 1.00 0.00 O ATOM 1059 CB MET A 71 12.846 -7.888 17.514 1.00 0.00 C ATOM 1060 CG MET A 71 13.418 -7.279 18.803 1.00 0.00 C ATOM 1061 SD MET A 71 12.717 -7.936 20.345 1.00 0.00 S ATOM 1062 CE MET A 71 13.743 -7.058 21.553 1.00 0.00 C ATOM 0 H MET A 71 12.664 -5.614 16.581 1.00 0.00 H new ATOM 0 HA MET A 71 11.147 -7.908 16.191 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.717 -8.959 17.668 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.583 -7.767 16.721 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.496 -7.440 18.815 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.257 -6.201 18.779 1.00 0.00 H new ATOM 0 HE1 MET A 71 13.445 -7.346 22.561 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.790 -7.316 21.397 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.612 -5.983 21.429 1.00 0.00 H new ATOM 1072 N SER A 72 10.123 -6.317 18.820 1.00 0.00 N ATOM 1073 CA SER A 72 9.061 -6.207 19.833 1.00 0.00 C ATOM 1074 C SER A 72 7.700 -5.753 19.262 1.00 0.00 C ATOM 1075 O SER A 72 6.716 -5.671 20.002 1.00 0.00 O ATOM 1076 CB SER A 72 9.534 -5.241 20.930 1.00 0.00 C ATOM 1077 OG SER A 72 8.766 -5.380 22.117 1.00 0.00 O ATOM 0 H SER A 72 10.648 -5.450 18.709 1.00 0.00 H new ATOM 0 HA SER A 72 8.887 -7.204 20.237 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.585 -5.428 21.152 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.462 -4.215 20.568 1.00 0.00 H new ATOM 0 HG SER A 72 7.817 -5.459 21.885 1.00 0.00 H new ATOM 1083 N THR A 73 7.620 -5.459 17.958 1.00 0.00 N ATOM 1084 CA THR A 73 6.403 -5.017 17.241 1.00 0.00 C ATOM 1085 C THR A 73 5.873 -6.111 16.305 1.00 0.00 C ATOM 1086 O THR A 73 6.461 -7.188 16.195 1.00 0.00 O ATOM 1087 CB THR A 73 6.646 -3.725 16.437 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.413 -3.987 15.286 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.331 -2.609 17.225 1.00 0.00 C ATOM 0 H THR A 73 8.431 -5.523 17.343 1.00 0.00 H new ATOM 0 HA THR A 73 5.654 -4.812 18.006 1.00 0.00 H new ATOM 0 HB THR A 73 5.648 -3.373 16.175 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.174 -4.557 15.523 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.463 -1.738 16.583 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.715 -2.338 18.082 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.305 -2.954 17.573 1.00 0.00 H new ATOM 1097 N ASN A 74 4.777 -5.845 15.582 1.00 0.00 N ATOM 1098 CA ASN A 74 4.269 -6.746 14.539 1.00 0.00 C ATOM 1099 C ASN A 74 5.167 -6.829 13.277 1.00 0.00 C ATOM 1100 O ASN A 74 5.043 -7.767 12.490 1.00 0.00 O ATOM 1101 CB ASN A 74 2.810 -6.378 14.222 1.00 0.00 C ATOM 1102 CG ASN A 74 2.621 -5.124 13.383 1.00 0.00 C ATOM 1103 OD1 ASN A 74 2.762 -5.139 12.171 1.00 0.00 O ATOM 1104 ND2 ASN A 74 2.268 -4.009 13.983 1.00 0.00 N ATOM 0 H ASN A 74 4.218 -5.000 15.703 1.00 0.00 H new ATOM 0 HA ASN A 74 4.300 -7.762 14.933 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.347 -7.216 13.701 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.273 -6.250 15.162 1.00 0.00 H new ATOM 0 HD21 ASN A 74 2.113 -3.162 13.436 1.00 0.00 H new ATOM 0 HD22 ASN A 74 2.149 -3.991 14.996 1.00 0.00 H new ATOM 1111 N LEU A 75 6.114 -5.897 13.111 1.00 0.00 N ATOM 1112 CA LEU A 75 7.055 -5.802 11.986 1.00 0.00 C ATOM 1113 C LEU A 75 8.294 -6.726 12.097 1.00 0.00 C ATOM 1114 O LEU A 75 9.185 -6.654 11.246 1.00 0.00 O ATOM 1115 CB LEU A 75 7.484 -4.325 11.832 1.00 0.00 C ATOM 1116 CG LEU A 75 6.414 -3.283 11.448 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.473 -3.775 10.352 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.602 -2.755 12.629 1.00 0.00 C ATOM 0 H LEU A 75 6.252 -5.150 13.792 1.00 0.00 H new ATOM 0 HA LEU A 75 6.530 -6.156 11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.930 -4.010 12.775 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.271 -4.285 11.078 1.00 0.00 H new ATOM 0 HG LEU A 75 6.996 -2.448 11.059 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.742 -2.999 10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.048 -4.006 9.455 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.956 -4.672 10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.872 -2.028 12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.083 -3.583 13.113 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.270 -2.277 13.346 1.00 0.00 H new ATOM 1130 N PHE A 76 8.354 -7.609 13.100 1.00 0.00 N ATOM 1131 CA PHE A 76 9.465 -8.500 13.468 1.00 0.00 C ATOM 1132 C PHE A 76 9.810 -9.581 12.430 1.00 0.00 C ATOM 1133 O PHE A 76 10.786 -10.313 12.596 1.00 0.00 O ATOM 1134 CB PHE A 76 9.141 -9.177 14.812 1.00 0.00 C ATOM 1135 CG PHE A 76 8.146 -10.327 14.752 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.767 -10.081 14.618 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.603 -11.658 14.831 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.852 -11.148 14.571 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.690 -12.727 14.786 1.00 0.00 C ATOM 1140 CZ PHE A 76 6.313 -12.473 14.658 1.00 0.00 C ATOM 0 H PHE A 76 7.561 -7.730 13.729 1.00 0.00 H new ATOM 0 HA PHE A 76 10.346 -7.862 13.530 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.071 -9.548 15.244 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.752 -8.421 15.494 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.408 -9.065 14.551 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.660 -11.858 14.927 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.795 -10.949 14.468 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.047 -13.744 14.850 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.612 -13.294 14.627 1.00 0.00 H new ATOM 1150 N HIS A 77 9.021 -9.683 11.354 1.00 0.00 N ATOM 1151 CA HIS A 77 9.086 -10.719 10.312 1.00 0.00 C ATOM 1152 C HIS A 77 10.406 -10.759 9.501 1.00 0.00 C ATOM 1153 O HIS A 77 10.567 -11.610 8.626 1.00 0.00 O ATOM 1154 CB HIS A 77 7.846 -10.542 9.411 1.00 0.00 C ATOM 1155 CG HIS A 77 7.555 -11.725 8.520 1.00 0.00 C ATOM 1156 ND1 HIS A 77 7.048 -12.943 8.932 1.00 0.00 N ATOM 1157 CD2 HIS A 77 7.766 -11.781 7.171 1.00 0.00 C ATOM 1158 CE1 HIS A 77 6.961 -13.735 7.843 1.00 0.00 C ATOM 1159 NE2 HIS A 77 7.389 -13.049 6.761 1.00 0.00 N ATOM 0 H HIS A 77 8.278 -9.008 11.175 1.00 0.00 H new ATOM 0 HA HIS A 77 9.081 -11.693 10.802 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.977 -10.353 10.041 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.986 -9.658 8.789 1.00 0.00 H new ATOM 0 HD2 HIS A 77 8.152 -10.990 6.546 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.606 -14.755 7.837 1.00 0.00 H new ATOM 0 HE2 HIS A 77 7.428 -13.404 5.806 1.00 0.00 H new ATOM 1168 N CYS A 78 11.351 -9.844 9.763 1.00 0.00 N ATOM 1169 CA CYS A 78 12.609 -9.648 9.010 1.00 0.00 C ATOM 1170 C CYS A 78 12.384 -9.392 7.499 1.00 0.00 C ATOM 1171 O CYS A 78 13.182 -9.786 6.643 1.00 0.00 O ATOM 1172 CB CYS A 78 13.577 -10.812 9.281 1.00 0.00 C ATOM 1173 SG CYS A 78 15.321 -10.508 8.850 1.00 0.00 S ATOM 0 H CYS A 78 11.260 -9.189 10.539 1.00 0.00 H new ATOM 0 HA CYS A 78 13.072 -8.732 9.377 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.523 -11.066 10.340 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.232 -11.684 8.726 1.00 0.00 H new ATOM 1178 N LYS A 79 11.260 -8.744 7.159 1.00 0.00 N ATOM 1179 CA LYS A 79 10.907 -8.352 5.784 1.00 0.00 C ATOM 1180 C LYS A 79 11.945 -7.399 5.172 1.00 0.00 C ATOM 1181 O LYS A 79 12.629 -6.669 5.891 1.00 0.00 O ATOM 1182 CB LYS A 79 9.457 -7.826 5.725 1.00 0.00 C ATOM 1183 CG LYS A 79 9.039 -6.829 6.822 1.00 0.00 C ATOM 1184 CD LYS A 79 9.683 -5.440 6.694 1.00 0.00 C ATOM 1185 CE LYS A 79 10.628 -5.058 7.844 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.897 -4.796 9.112 1.00 0.00 N ATOM 0 H LYS A 79 10.556 -8.472 7.845 1.00 0.00 H new ATOM 0 HA LYS A 79 10.938 -9.238 5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.307 -7.349 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.783 -8.681 5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.955 -6.717 6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.297 -7.248 7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.238 -5.398 5.757 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.892 -4.693 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.348 -5.861 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.196 -4.171 7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.333 -3.990 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.903 -4.576 8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.943 -5.639 9.720 1.00 0.00 H new ATOM 1200 N ASP A 80 12.042 -7.389 3.843 1.00 0.00 N ATOM 1201 CA ASP A 80 13.093 -6.695 3.077 1.00 0.00 C ATOM 1202 C ASP A 80 13.073 -5.168 3.245 1.00 0.00 C ATOM 1203 O ASP A 80 14.124 -4.523 3.225 1.00 0.00 O ATOM 1204 CB ASP A 80 12.951 -7.034 1.586 1.00 0.00 C ATOM 1205 CG ASP A 80 13.170 -8.528 1.305 1.00 0.00 C ATOM 1206 OD1 ASP A 80 14.332 -8.938 1.072 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.177 -9.294 1.315 1.00 0.00 O ATOM 0 H ASP A 80 11.374 -7.876 3.246 1.00 0.00 H new ATOM 0 HA ASP A 80 14.045 -7.047 3.475 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.958 -6.744 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.670 -6.449 1.013 1.00 0.00 H new ATOM 1212 N LYS A 81 11.877 -4.594 3.407 1.00 0.00 N ATOM 1213 CA LYS A 81 11.629 -3.171 3.671 1.00 0.00 C ATOM 1214 C LYS A 81 10.208 -2.918 4.174 1.00 0.00 C ATOM 1215 O LYS A 81 9.315 -3.735 3.951 1.00 0.00 O ATOM 1216 CB LYS A 81 11.912 -2.335 2.403 1.00 0.00 C ATOM 1217 CG LYS A 81 11.289 -2.890 1.120 1.00 0.00 C ATOM 1218 CD LYS A 81 11.370 -1.903 -0.053 1.00 0.00 C ATOM 1219 CE LYS A 81 10.373 -0.746 0.110 1.00 0.00 C ATOM 1220 NZ LYS A 81 10.369 0.149 -1.077 1.00 0.00 N ATOM 0 H LYS A 81 11.013 -5.134 3.355 1.00 0.00 H new ATOM 0 HA LYS A 81 12.311 -2.861 4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.542 -1.322 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.991 -2.262 2.265 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.795 -3.816 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.245 -3.141 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.382 -1.504 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.168 -2.429 -0.986 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.372 -1.148 0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.627 -0.169 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.684 0.918 -0.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.318 0.552 -1.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.102 -0.396 -1.922 1.00 0.00 H new ATOM 1234 N ASN A 82 9.990 -1.771 4.820 1.00 0.00 N ATOM 1235 CA ASN A 82 8.665 -1.295 5.232 1.00 0.00 C ATOM 1236 C ASN A 82 8.531 0.211 4.968 1.00 0.00 C ATOM 1237 O ASN A 82 9.349 0.992 5.457 1.00 0.00 O ATOM 1238 CB ASN A 82 8.433 -1.629 6.721 1.00 0.00 C ATOM 1239 CG ASN A 82 6.964 -1.842 7.061 1.00 0.00 C ATOM 1240 OD1 ASN A 82 6.216 -2.496 6.351 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.513 -1.350 8.187 1.00 0.00 N ATOM 0 H ASN A 82 10.743 -1.133 5.077 1.00 0.00 H new ATOM 0 HA ASN A 82 7.900 -1.801 4.644 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.994 -2.528 6.978 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.829 -0.820 7.335 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.545 -1.514 8.464 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.129 -0.802 8.787 1.00 0.00 H new ATOM 1248 N THR A 83 7.520 0.616 4.199 1.00 0.00 N ATOM 1249 CA THR A 83 7.187 2.028 3.961 1.00 0.00 C ATOM 1250 C THR A 83 6.245 2.522 5.063 1.00 0.00 C ATOM 1251 O THR A 83 5.025 2.338 4.969 1.00 0.00 O ATOM 1252 CB THR A 83 6.491 2.202 2.596 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.279 1.648 1.559 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.228 3.674 2.274 1.00 0.00 C ATOM 0 H THR A 83 6.899 -0.033 3.716 1.00 0.00 H new ATOM 0 HA THR A 83 8.111 2.606 3.965 1.00 0.00 H new ATOM 0 HB THR A 83 5.537 1.679 2.662 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.821 1.766 0.701 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.737 3.752 1.304 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.586 4.105 3.042 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.174 4.215 2.246 1.00 0.00 H new ATOM 1262 N PHE A 84 6.788 3.138 6.114 1.00 0.00 N ATOM 1263 CA PHE A 84 5.974 3.785 7.148 1.00 0.00 C ATOM 1264 C PHE A 84 5.472 5.156 6.678 1.00 0.00 C ATOM 1265 O PHE A 84 6.247 5.983 6.185 1.00 0.00 O ATOM 1266 CB PHE A 84 6.718 3.935 8.477 1.00 0.00 C ATOM 1267 CG PHE A 84 7.073 2.649 9.189 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.065 1.848 9.762 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.425 2.292 9.339 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.414 0.710 10.513 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.767 1.114 10.029 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.766 0.340 10.646 1.00 0.00 C ATOM 0 H PHE A 84 7.793 3.203 6.273 1.00 0.00 H new ATOM 0 HA PHE A 84 5.122 3.128 7.319 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.637 4.491 8.295 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.107 4.540 9.146 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.026 2.107 9.625 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.200 2.921 8.925 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.644 0.120 10.988 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.800 0.803 10.085 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.034 -0.535 11.220 1.00 0.00 H new ATOM 1282 N ILE A 85 4.178 5.403 6.881 1.00 0.00 N ATOM 1283 CA ILE A 85 3.491 6.666 6.576 1.00 0.00 C ATOM 1284 C ILE A 85 3.087 7.316 7.902 1.00 0.00 C ATOM 1285 O ILE A 85 2.260 6.765 8.634 1.00 0.00 O ATOM 1286 CB ILE A 85 2.277 6.391 5.659 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.720 5.798 4.302 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.429 7.654 5.426 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.550 5.197 3.519 1.00 0.00 C ATOM 0 H ILE A 85 3.551 4.703 7.278 1.00 0.00 H new ATOM 0 HA ILE A 85 4.143 7.353 6.037 1.00 0.00 H new ATOM 0 HB ILE A 85 1.657 5.660 6.178 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.191 6.578 3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.473 5.029 4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.588 7.413 4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.056 8.023 6.381 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.042 8.422 4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.914 4.794 2.574 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.094 4.398 4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.808 5.971 3.322 1.00 0.00 H new ATOM 1301 N TYR A 86 3.678 8.465 8.244 1.00 0.00 N ATOM 1302 CA TYR A 86 3.250 9.268 9.390 1.00 0.00 C ATOM 1303 C TYR A 86 2.102 10.217 8.987 1.00 0.00 C ATOM 1304 O TYR A 86 2.331 11.388 8.666 1.00 0.00 O ATOM 1305 CB TYR A 86 4.467 9.972 10.006 1.00 0.00 C ATOM 1306 CG TYR A 86 4.237 10.861 11.224 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.043 10.810 11.977 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.247 11.770 11.596 1.00 0.00 C ATOM 1309 CE1 TYR A 86 2.846 11.700 13.049 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.063 12.642 12.686 1.00 0.00 C ATOM 1311 CZ TYR A 86 3.855 12.617 13.412 1.00 0.00 C ATOM 1312 OH TYR A 86 3.669 13.474 14.453 1.00 0.00 O ATOM 0 H TYR A 86 4.466 8.863 7.733 1.00 0.00 H new ATOM 0 HA TYR A 86 2.835 8.631 10.171 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.191 9.206 10.283 1.00 0.00 H new ATOM 0 HB3 TYR A 86 4.929 10.582 9.230 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.280 10.087 11.730 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.172 11.798 11.039 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.916 11.681 13.598 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.847 13.330 12.966 1.00 0.00 H new ATOM 0 HH TYR A 86 4.466 14.033 14.563 1.00 0.00 H new ATOM 1322 N SER A 87 0.864 9.701 9.013 1.00 0.00 N ATOM 1323 CA SER A 87 -0.372 10.449 8.707 1.00 0.00 C ATOM 1324 C SER A 87 -1.548 10.074 9.618 1.00 0.00 C ATOM 1325 O SER A 87 -1.606 8.970 10.165 1.00 0.00 O ATOM 1326 CB SER A 87 -0.822 10.190 7.262 1.00 0.00 C ATOM 1327 OG SER A 87 0.158 10.622 6.340 1.00 0.00 O ATOM 0 H SER A 87 0.687 8.726 9.254 1.00 0.00 H new ATOM 0 HA SER A 87 -0.118 11.497 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 87 -1.014 9.126 7.122 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.760 10.711 7.071 1.00 0.00 H new ATOM 0 HG SER A 87 -0.110 11.484 5.957 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.540 10.973 9.709 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.896 10.680 10.207 1.00 0.00 C ATOM 1335 C ARG A 88 -4.687 9.825 9.206 1.00 0.00 C ATOM 1336 O ARG A 88 -4.328 9.799 8.028 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.620 12.012 10.483 1.00 0.00 C ATOM 1338 CG ARG A 88 -4.236 12.542 11.869 1.00 0.00 C ATOM 1339 CD ARG A 88 -4.982 13.843 12.196 1.00 0.00 C ATOM 1340 NE ARG A 88 -5.109 14.051 13.653 1.00 0.00 N ATOM 1341 CZ ARG A 88 -4.179 14.412 14.520 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -2.960 14.696 14.158 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -4.464 14.492 15.789 1.00 0.00 N ATOM 0 H ARG A 88 -2.420 11.947 9.432 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.822 10.104 11.129 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.356 12.744 9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.699 11.867 10.426 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.464 11.790 12.624 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.161 12.717 11.908 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.453 14.687 11.753 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -5.974 13.817 11.745 1.00 0.00 H new ATOM 0 HE ARG A 88 -6.039 13.895 14.042 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.695 14.644 13.174 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.271 14.971 14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.406 14.276 16.115 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.745 14.771 16.457 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.789 9.172 9.619 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.633 8.396 8.708 1.00 0.00 C ATOM 1359 C PRO A 89 -7.439 9.246 7.711 1.00 0.00 C ATOM 1360 O PRO A 89 -7.786 8.748 6.641 1.00 0.00 O ATOM 1361 CB PRO A 89 -7.547 7.570 9.620 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.618 8.375 10.914 1.00 0.00 C ATOM 1363 CD PRO A 89 -6.238 9.019 10.998 1.00 0.00 C ATOM 0 HA PRO A 89 -6.013 7.777 8.060 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.535 7.439 9.179 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.140 6.574 9.793 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -8.410 9.123 10.880 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.818 7.737 11.775 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.286 9.984 11.503 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -5.549 8.395 11.567 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.718 10.521 8.002 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.523 11.405 7.142 1.00 0.00 C ATOM 1373 C GLU A 90 -7.902 11.610 5.743 1.00 0.00 C ATOM 1374 O GLU A 90 -8.552 11.242 4.762 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.827 12.750 7.834 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.963 12.684 8.866 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.630 11.818 10.100 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -8.525 11.968 10.674 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -10.491 11.000 10.509 1.00 0.00 O ATOM 0 H GLU A 90 -7.388 10.977 8.852 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.473 10.894 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.922 13.104 8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.084 13.487 7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.201 13.695 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -10.857 12.287 8.385 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.657 12.120 5.602 1.00 0.00 N ATOM 1387 CA PRO A 91 -6.029 12.352 4.292 1.00 0.00 C ATOM 1388 C PRO A 91 -5.647 11.078 3.522 1.00 0.00 C ATOM 1389 O PRO A 91 -5.102 11.169 2.425 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.786 13.199 4.582 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.408 12.818 6.008 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.761 12.567 6.666 1.00 0.00 C ATOM 0 HA PRO A 91 -6.747 12.844 3.636 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.980 12.978 3.882 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -5.000 14.264 4.496 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.775 11.931 6.035 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.858 13.616 6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.679 11.812 7.448 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.139 13.474 7.137 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.927 9.901 4.084 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.698 8.568 3.505 1.00 0.00 C ATOM 1402 C VAL A 92 -7.017 7.978 3.002 1.00 0.00 C ATOM 1403 O VAL A 92 -7.158 7.666 1.822 1.00 0.00 O ATOM 1404 CB VAL A 92 -5.043 7.649 4.555 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.604 6.328 3.916 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.795 8.269 5.207 1.00 0.00 C ATOM 0 H VAL A 92 -6.345 9.845 5.013 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.022 8.654 2.654 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.805 7.494 5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.144 5.693 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.472 5.821 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.883 6.529 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.381 7.572 5.936 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -3.049 8.477 4.440 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.069 9.198 5.707 1.00 0.00 H new ATOM 1416 N LYS A 93 -8.016 7.848 3.879 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.319 7.254 3.549 1.00 0.00 C ATOM 1418 C LYS A 93 -10.143 8.127 2.593 1.00 0.00 C ATOM 1419 O LYS A 93 -10.770 7.609 1.673 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.090 6.951 4.846 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.795 5.591 4.763 1.00 0.00 C ATOM 1422 CD LYS A 93 -11.613 5.232 6.003 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.858 6.045 6.289 1.00 0.00 C ATOM 1424 NZ LYS A 93 -12.525 7.249 7.099 1.00 0.00 N ATOM 0 H LYS A 93 -7.944 8.155 4.849 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.137 6.321 3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.402 6.957 5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.825 7.735 5.028 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.453 5.588 3.894 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.046 4.816 4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -11.908 4.186 5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -10.957 5.308 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.324 6.349 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -13.585 5.432 6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -13.020 7.200 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.499 7.284 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.824 8.104 6.589 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.118 9.448 2.791 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.908 10.419 2.028 1.00 0.00 C ATOM 1440 C ALA A 94 -10.338 10.759 0.637 1.00 0.00 C ATOM 1441 O ALA A 94 -10.976 11.500 -0.117 1.00 0.00 O ATOM 1442 CB ALA A 94 -11.066 11.691 2.861 1.00 0.00 C ATOM 0 H ALA A 94 -9.533 9.883 3.504 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.873 9.951 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.652 12.421 2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.576 11.453 3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -10.083 12.107 3.080 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.165 10.218 0.269 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.631 10.294 -1.105 1.00 0.00 C ATOM 1450 C ILE A 95 -9.677 9.788 -2.121 1.00 0.00 C ATOM 1451 O ILE A 95 -9.822 10.369 -3.200 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.301 9.513 -1.252 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.234 9.967 -0.234 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.714 9.696 -2.664 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.007 9.043 -0.167 1.00 0.00 C ATOM 0 H ILE A 95 -8.558 9.714 0.915 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.416 11.342 -1.316 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.545 8.467 -1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.905 10.974 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.689 10.023 0.755 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.780 9.139 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.423 9.325 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.522 10.754 -2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.302 9.427 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.322 8.040 0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.526 9.006 -1.144 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.454 8.761 -1.750 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.569 8.243 -2.542 1.00 0.00 C ATOM 1469 C CYS A 96 -12.946 8.572 -1.934 1.00 0.00 C ATOM 1470 O CYS A 96 -13.076 8.841 -0.736 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.376 6.737 -2.724 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.423 5.728 -1.224 1.00 0.00 S ATOM 0 H CYS A 96 -10.319 8.259 -0.872 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.563 8.739 -3.513 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.148 6.374 -3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.417 6.573 -3.215 1.00 0.00 H new ATOM 1477 N LYS A 97 -13.989 8.519 -2.775 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.397 8.759 -2.410 1.00 0.00 C ATOM 1479 C LYS A 97 -16.340 8.062 -3.402 1.00 0.00 C ATOM 1480 O LYS A 97 -16.463 8.484 -4.550 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.656 10.281 -2.334 1.00 0.00 C ATOM 1482 CG LYS A 97 -16.951 10.657 -1.593 1.00 0.00 C ATOM 1483 CD LYS A 97 -16.847 10.437 -0.074 1.00 0.00 C ATOM 1484 CE LYS A 97 -18.094 10.983 0.633 1.00 0.00 C ATOM 1485 NZ LYS A 97 -18.002 10.818 2.108 1.00 0.00 N ATOM 0 H LYS A 97 -13.873 8.300 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.599 8.331 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.812 10.759 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.698 10.683 -3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.188 11.703 -1.790 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.776 10.064 -1.987 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -16.737 9.374 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -15.956 10.933 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -18.217 12.039 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -18.979 10.466 0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -18.861 11.198 2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -17.909 9.808 2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -17.171 11.333 2.464 1.00 0.00 H new ATOM 1499 N GLY A 98 -16.946 6.949 -2.982 1.00 0.00 N ATOM 1500 CA GLY A 98 -17.859 6.139 -3.807 1.00 0.00 C ATOM 1501 C GLY A 98 -17.171 5.111 -4.718 1.00 0.00 C ATOM 1502 O GLY A 98 -17.843 4.454 -5.512 1.00 0.00 O ATOM 0 H GLY A 98 -16.816 6.575 -2.042 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.550 5.613 -3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.456 6.809 -4.426 1.00 0.00 H new ATOM 1506 N ILE A 99 -15.844 4.957 -4.621 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.047 4.039 -5.450 1.00 0.00 C ATOM 1508 C ILE A 99 -15.234 2.581 -5.000 1.00 0.00 C ATOM 1509 O ILE A 99 -14.850 2.198 -3.893 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.556 4.459 -5.484 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.431 5.879 -6.093 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -12.741 3.434 -6.298 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -11.998 6.399 -6.277 1.00 0.00 C ATOM 0 H ILE A 99 -15.281 5.478 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.414 4.105 -6.474 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.158 4.481 -4.470 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -13.927 5.883 -7.063 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.973 6.577 -5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.694 3.735 -6.318 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -12.827 2.451 -5.835 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.125 3.390 -7.317 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.027 7.399 -6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.497 6.436 -5.309 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.451 5.731 -6.943 1.00 0.00 H new ATOM 1525 N ILE A 100 -15.807 1.762 -5.887 1.00 0.00 N ATOM 1526 CA ILE A 100 -15.970 0.297 -5.759 1.00 0.00 C ATOM 1527 C ILE A 100 -15.079 -0.452 -6.785 1.00 0.00 C ATOM 1528 O ILE A 100 -14.843 -1.653 -6.674 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.473 -0.094 -5.877 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.392 0.907 -5.130 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.721 -1.503 -5.312 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -19.882 0.551 -5.067 1.00 0.00 C ATOM 0 H ILE A 100 -16.193 2.115 -6.763 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.633 -0.011 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.716 -0.072 -6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.023 1.013 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.294 1.882 -5.607 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -18.778 -1.752 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.126 -2.228 -5.868 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.435 -1.529 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.419 1.326 -4.520 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.282 0.478 -6.078 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.007 -0.405 -4.558 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.516 0.274 -7.757 1.00 0.00 N ATOM 1545 CA ALA A 101 -13.783 -0.220 -8.930 1.00 0.00 C ATOM 1546 C ALA A 101 -12.362 -0.775 -8.659 1.00 0.00 C ATOM 1547 O ALA A 101 -11.656 -1.122 -9.608 1.00 0.00 O ATOM 1548 CB ALA A 101 -13.736 0.935 -9.943 1.00 0.00 C ATOM 0 H ALA A 101 -14.563 1.293 -7.745 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.319 -1.092 -9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.199 0.614 -10.836 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -14.752 1.222 -10.214 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.224 1.788 -9.498 1.00 0.00 H new ATOM 1554 N SER A 102 -11.925 -0.855 -7.394 1.00 0.00 N ATOM 1555 CA SER A 102 -10.549 -1.176 -6.976 1.00 0.00 C ATOM 1556 C SER A 102 -9.486 -0.295 -7.668 1.00 0.00 C ATOM 1557 O SER A 102 -8.701 -0.751 -8.507 1.00 0.00 O ATOM 1558 CB SER A 102 -10.278 -2.680 -7.111 1.00 0.00 C ATOM 1559 OG SER A 102 -9.128 -3.034 -6.361 1.00 0.00 O ATOM 0 H SER A 102 -12.544 -0.691 -6.600 1.00 0.00 H new ATOM 0 HA SER A 102 -10.460 -0.928 -5.918 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.140 -3.246 -6.759 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.133 -2.939 -8.160 1.00 0.00 H new ATOM 0 HG SER A 102 -8.962 -3.996 -6.451 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.475 1.005 -7.328 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.511 2.022 -7.801 1.00 0.00 C ATOM 1567 C LYS A 103 -8.422 3.194 -6.818 1.00 0.00 C ATOM 1568 O LYS A 103 -9.295 3.360 -5.976 1.00 0.00 O ATOM 1569 CB LYS A 103 -8.932 2.520 -9.201 1.00 0.00 C ATOM 1570 CG LYS A 103 -7.705 2.893 -10.054 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.067 3.431 -11.446 1.00 0.00 C ATOM 1572 CE LYS A 103 -8.608 4.866 -11.378 1.00 0.00 C ATOM 1573 NZ LYS A 103 -8.889 5.405 -12.736 1.00 0.00 N ATOM 0 H LYS A 103 -10.166 1.396 -6.688 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.523 1.566 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.508 1.745 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.585 3.387 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.119 3.644 -9.524 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.070 2.014 -10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.186 3.405 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.814 2.782 -11.904 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.520 4.885 -10.782 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.884 5.506 -10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.253 6.376 -12.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.013 5.409 -13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.598 4.807 -13.207 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.390 4.024 -6.902 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.347 5.348 -6.276 1.00 0.00 C ATOM 1589 C ASN A 104 -6.604 6.364 -7.164 1.00 0.00 C ATOM 1590 O ASN A 104 -6.340 6.105 -8.340 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.701 5.206 -4.884 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.330 6.099 -3.827 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.009 7.069 -4.119 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.117 5.791 -2.572 1.00 0.00 N ATOM 0 H ASN A 104 -6.540 3.795 -7.417 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.358 5.738 -6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.777 4.167 -4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.639 5.440 -4.960 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.520 6.364 -1.831 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.548 4.978 -2.336 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.237 7.508 -6.586 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.272 8.465 -7.133 1.00 0.00 C ATOM 1603 C VAL A 105 -4.172 8.723 -6.097 1.00 0.00 C ATOM 1604 O VAL A 105 -4.421 8.693 -4.891 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.008 9.746 -7.589 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -6.667 10.524 -6.441 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -5.100 10.690 -8.382 1.00 0.00 C ATOM 0 H VAL A 105 -6.618 7.806 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.782 8.061 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.802 9.380 -8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.163 11.409 -6.839 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -7.401 9.889 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.905 10.827 -5.723 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.665 11.574 -8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.256 10.990 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.732 10.179 -9.272 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.944 8.964 -6.556 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.841 9.490 -5.747 1.00 0.00 C ATOM 1619 C LEU A 106 -2.263 10.759 -4.976 1.00 0.00 C ATOM 1620 O LEU A 106 -2.987 11.607 -5.508 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.664 9.776 -6.707 1.00 0.00 C ATOM 1622 CG LEU A 106 0.636 10.292 -6.068 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.312 9.218 -5.225 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.606 10.743 -7.157 1.00 0.00 C ATOM 0 H LEU A 106 -2.680 8.795 -7.527 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.544 8.763 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.436 8.858 -7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.995 10.508 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 106 0.373 11.129 -5.421 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.227 9.619 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.638 8.904 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.555 8.361 -5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.525 11.107 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.836 9.902 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.151 11.543 -7.741 1.00 0.00 H new ATOM 1636 N THR A 107 -1.790 10.913 -3.737 1.00 0.00 N ATOM 1637 CA THR A 107 -1.970 12.157 -2.953 1.00 0.00 C ATOM 1638 C THR A 107 -1.300 13.384 -3.605 1.00 0.00 C ATOM 1639 O THR A 107 -0.579 13.275 -4.598 1.00 0.00 O ATOM 1640 CB THR A 107 -1.475 12.016 -1.495 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.777 10.820 -1.250 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.636 12.053 -0.506 1.00 0.00 C ATOM 0 H THR A 107 -1.272 10.187 -3.242 1.00 0.00 H new ATOM 0 HA THR A 107 -3.047 12.324 -2.942 1.00 0.00 H new ATOM 0 HB THR A 107 -0.802 12.862 -1.356 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.491 10.794 -0.313 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.253 11.951 0.509 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.165 13.001 -0.601 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.321 11.233 -0.719 1.00 0.00 H new ATOM 1650 N THR A 108 -1.509 14.574 -3.028 1.00 0.00 N ATOM 1651 CA THR A 108 -0.933 15.856 -3.501 1.00 0.00 C ATOM 1652 C THR A 108 0.010 16.517 -2.484 1.00 0.00 C ATOM 1653 O THR A 108 1.015 17.126 -2.864 1.00 0.00 O ATOM 1654 CB THR A 108 -2.055 16.809 -3.956 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.503 17.943 -4.588 1.00 0.00 O ATOM 1656 CG2 THR A 108 -2.969 17.297 -2.828 1.00 0.00 C ATOM 0 H THR A 108 -2.095 14.683 -2.200 1.00 0.00 H new ATOM 0 HA THR A 108 -0.303 15.625 -4.360 1.00 0.00 H new ATOM 0 HB THR A 108 -2.667 16.219 -4.639 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.224 18.541 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.729 17.962 -3.238 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.452 16.442 -2.355 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.377 17.835 -2.087 1.00 0.00 H new ATOM 1664 N SER A 109 -0.262 16.342 -1.189 1.00 0.00 N ATOM 1665 CA SER A 109 0.498 16.889 -0.052 1.00 0.00 C ATOM 1666 C SER A 109 1.774 16.087 0.236 1.00 0.00 C ATOM 1667 O SER A 109 2.044 15.068 -0.395 1.00 0.00 O ATOM 1668 CB SER A 109 -0.400 16.910 1.194 1.00 0.00 C ATOM 1669 OG SER A 109 -1.597 17.636 0.952 1.00 0.00 O ATOM 0 H SER A 109 -1.061 15.786 -0.884 1.00 0.00 H new ATOM 0 HA SER A 109 0.807 17.901 -0.313 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.644 15.889 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.140 17.361 2.027 1.00 0.00 H new ATOM 0 HG SER A 109 -2.151 17.632 1.760 1.00 0.00 H new ATOM 1675 N GLU A 110 2.584 16.539 1.193 1.00 0.00 N ATOM 1676 CA GLU A 110 3.860 15.909 1.554 1.00 0.00 C ATOM 1677 C GLU A 110 3.886 15.498 3.035 1.00 0.00 C ATOM 1678 O GLU A 110 3.881 16.344 3.932 1.00 0.00 O ATOM 1679 CB GLU A 110 5.044 16.808 1.159 1.00 0.00 C ATOM 1680 CG GLU A 110 4.931 17.302 -0.294 1.00 0.00 C ATOM 1681 CD GLU A 110 6.247 17.883 -0.843 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.863 18.759 -0.188 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.641 17.499 -1.971 1.00 0.00 O ATOM 0 H GLU A 110 2.371 17.367 1.750 1.00 0.00 H new ATOM 0 HA GLU A 110 3.962 14.986 0.984 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.089 17.665 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.976 16.256 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.615 16.474 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.153 18.063 -0.352 1.00 0.00 H new ATOM 1690 N PHE A 111 3.877 14.186 3.286 1.00 0.00 N ATOM 1691 CA PHE A 111 3.784 13.557 4.609 1.00 0.00 C ATOM 1692 C PHE A 111 5.134 12.942 4.991 1.00 0.00 C ATOM 1693 O PHE A 111 5.963 12.675 4.115 1.00 0.00 O ATOM 1694 CB PHE A 111 2.695 12.469 4.585 1.00 0.00 C ATOM 1695 CG PHE A 111 1.404 12.854 3.883 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.326 12.748 2.482 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.273 13.275 4.609 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.142 13.074 1.806 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.920 13.590 3.934 1.00 0.00 C ATOM 1700 CZ PHE A 111 -0.983 13.488 2.532 1.00 0.00 C ATOM 0 H PHE A 111 3.937 13.498 2.535 1.00 0.00 H new ATOM 0 HA PHE A 111 3.521 14.312 5.350 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.102 11.582 4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.461 12.191 5.613 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.186 12.412 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.322 13.356 5.685 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.097 13.006 0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.788 13.910 4.492 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.900 13.729 2.015 1.00 0.00 H new ATOM 1710 N TYR A 112 5.369 12.686 6.281 1.00 0.00 N ATOM 1711 CA TYR A 112 6.631 12.102 6.741 1.00 0.00 C ATOM 1712 C TYR A 112 6.738 10.629 6.318 1.00 0.00 C ATOM 1713 O TYR A 112 5.998 9.767 6.803 1.00 0.00 O ATOM 1714 CB TYR A 112 6.806 12.301 8.253 1.00 0.00 C ATOM 1715 CG TYR A 112 7.865 13.324 8.601 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.521 14.683 8.732 1.00 0.00 C ATOM 1717 CD2 TYR A 112 9.199 12.913 8.781 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.505 15.629 9.084 1.00 0.00 C ATOM 1719 CE2 TYR A 112 10.185 13.854 9.139 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.840 15.214 9.296 1.00 0.00 C ATOM 1721 OH TYR A 112 10.797 16.116 9.652 1.00 0.00 O ATOM 0 H TYR A 112 4.699 12.875 7.027 1.00 0.00 H new ATOM 0 HA TYR A 112 7.456 12.626 6.259 1.00 0.00 H new ATOM 0 HB2 TYR A 112 5.854 12.611 8.685 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.067 11.347 8.711 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.503 15.001 8.563 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.467 11.876 8.645 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.239 16.670 9.192 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.205 13.535 9.293 1.00 0.00 H new ATOM 0 HH TYR A 112 11.656 15.657 9.757 1.00 0.00 H new ATOM 1731 N LEU A 113 7.655 10.360 5.386 1.00 0.00 N ATOM 1732 CA LEU A 113 7.915 9.048 4.795 1.00 0.00 C ATOM 1733 C LEU A 113 9.185 8.421 5.386 1.00 0.00 C ATOM 1734 O LEU A 113 10.258 9.032 5.407 1.00 0.00 O ATOM 1735 CB LEU A 113 7.986 9.190 3.260 1.00 0.00 C ATOM 1736 CG LEU A 113 6.787 8.594 2.502 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.776 7.069 2.578 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.427 9.122 2.957 1.00 0.00 C ATOM 0 H LEU A 113 8.264 11.085 5.006 1.00 0.00 H new ATOM 0 HA LEU A 113 7.099 8.367 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.067 10.248 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.898 8.709 2.906 1.00 0.00 H new ATOM 0 HG LEU A 113 6.932 8.920 1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.915 6.684 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.692 6.676 2.136 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.713 6.757 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.639 8.650 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.282 8.892 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.389 10.202 2.813 1.00 0.00 H new ATOM 1750 N SER A 114 9.052 7.193 5.880 1.00 0.00 N ATOM 1751 CA SER A 114 10.081 6.487 6.646 1.00 0.00 C ATOM 1752 C SER A 114 10.254 5.066 6.103 1.00 0.00 C ATOM 1753 O SER A 114 9.476 4.161 6.408 1.00 0.00 O ATOM 1754 CB SER A 114 9.718 6.542 8.132 1.00 0.00 C ATOM 1755 OG SER A 114 10.640 5.810 8.919 1.00 0.00 O ATOM 0 H SER A 114 8.201 6.644 5.756 1.00 0.00 H new ATOM 0 HA SER A 114 11.053 6.969 6.537 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.698 7.580 8.464 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.715 6.141 8.278 1.00 0.00 H new ATOM 0 HG SER A 114 10.185 5.457 9.712 1.00 0.00 H new ATOM 1761 N ASP A 115 11.254 4.893 5.238 1.00 0.00 N ATOM 1762 CA ASP A 115 11.583 3.632 4.571 1.00 0.00 C ATOM 1763 C ASP A 115 12.816 2.992 5.227 1.00 0.00 C ATOM 1764 O ASP A 115 13.831 3.648 5.453 1.00 0.00 O ATOM 1765 CB ASP A 115 11.864 3.873 3.075 1.00 0.00 C ATOM 1766 CG ASP A 115 10.709 4.509 2.281 1.00 0.00 C ATOM 1767 OD1 ASP A 115 9.549 4.498 2.749 1.00 0.00 O ATOM 1768 OD2 ASP A 115 10.976 5.010 1.162 1.00 0.00 O ATOM 0 H ASP A 115 11.880 5.654 4.973 1.00 0.00 H new ATOM 0 HA ASP A 115 10.732 2.959 4.670 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.740 4.515 2.986 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.119 2.920 2.612 1.00 0.00 H new ATOM 1773 N CYS A 116 12.777 1.687 5.474 1.00 0.00 N ATOM 1774 CA CYS A 116 13.967 0.919 5.860 1.00 0.00 C ATOM 1775 C CYS A 116 14.247 -0.118 4.783 1.00 0.00 C ATOM 1776 O CYS A 116 13.302 -0.630 4.200 1.00 0.00 O ATOM 1777 CB CYS A 116 13.741 0.274 7.227 1.00 0.00 C ATOM 1778 SG CYS A 116 13.996 1.430 8.597 1.00 0.00 S ATOM 0 H CYS A 116 11.925 1.129 5.414 1.00 0.00 H new ATOM 0 HA CYS A 116 14.836 1.571 5.946 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.726 -0.121 7.274 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.418 -0.573 7.341 1.00 0.00 H new ATOM 1783 N ASN A 117 15.514 -0.440 4.520 1.00 0.00 N ATOM 1784 CA ASN A 117 15.920 -1.395 3.484 1.00 0.00 C ATOM 1785 C ASN A 117 16.988 -2.335 4.051 1.00 0.00 C ATOM 1786 O ASN A 117 17.995 -1.861 4.580 1.00 0.00 O ATOM 1787 CB ASN A 117 16.433 -0.627 2.251 1.00 0.00 C ATOM 1788 CG ASN A 117 15.329 0.067 1.472 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.639 -0.533 0.664 1.00 0.00 O ATOM 1790 ND2 ASN A 117 15.145 1.356 1.657 1.00 0.00 N ATOM 0 H ASN A 117 16.302 -0.039 5.029 1.00 0.00 H new ATOM 0 HA ASN A 117 15.069 -2.000 3.172 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.163 0.116 2.572 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.953 -1.321 1.590 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.428 1.850 1.126 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.719 1.862 2.331 1.00 0.00 H new ATOM 1797 N VAL A 118 16.759 -3.650 3.989 1.00 0.00 N ATOM 1798 CA VAL A 118 17.687 -4.676 4.508 1.00 0.00 C ATOM 1799 C VAL A 118 19.075 -4.575 3.854 1.00 0.00 C ATOM 1800 O VAL A 118 19.194 -4.230 2.675 1.00 0.00 O ATOM 1801 CB VAL A 118 17.077 -6.085 4.334 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.073 -7.247 4.450 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.010 -6.339 5.397 1.00 0.00 C ATOM 0 H VAL A 118 15.915 -4.044 3.573 1.00 0.00 H new ATOM 0 HA VAL A 118 17.831 -4.494 5.573 1.00 0.00 H new ATOM 0 HB VAL A 118 16.681 -6.072 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.547 -8.192 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 118 18.842 -7.145 3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.538 -7.230 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.590 -7.336 5.260 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.459 -6.267 6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.218 -5.596 5.303 1.00 0.00 H new ATOM 1813 N THR A 119 20.129 -4.908 4.609 1.00 0.00 N ATOM 1814 CA THR A 119 21.526 -4.917 4.126 1.00 0.00 C ATOM 1815 C THR A 119 22.309 -6.158 4.587 1.00 0.00 C ATOM 1816 O THR A 119 22.980 -6.178 5.622 1.00 0.00 O ATOM 1817 CB THR A 119 22.233 -3.578 4.400 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.545 -3.593 3.879 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.278 -3.131 5.861 1.00 0.00 C ATOM 0 H THR A 119 20.040 -5.183 5.587 1.00 0.00 H new ATOM 0 HA THR A 119 21.494 -5.011 3.040 1.00 0.00 H new ATOM 0 HB THR A 119 21.610 -2.844 3.890 1.00 0.00 H new ATOM 0 HG1 THR A 119 23.979 -2.733 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.799 -2.176 5.934 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.262 -3.019 6.239 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.805 -3.878 6.454 1.00 0.00 H new ATOM 1827 N SER A 120 22.183 -7.232 3.801 1.00 0.00 N ATOM 1828 CA SER A 120 22.923 -8.506 3.937 1.00 0.00 C ATOM 1829 C SER A 120 24.420 -8.361 3.623 1.00 0.00 C ATOM 1830 O SER A 120 25.245 -8.856 4.424 1.00 0.00 O ATOM 1831 CB SER A 120 22.318 -9.575 3.025 1.00 0.00 C ATOM 1832 OG SER A 120 20.966 -9.802 3.401 1.00 0.00 O ATOM 1833 OXT SER A 120 24.766 -7.784 2.566 1.00 0.00 O ATOM 0 H SER A 120 21.534 -7.245 3.014 1.00 0.00 H new ATOM 0 HA SER A 120 22.831 -8.806 4.981 1.00 0.00 H new ATOM 0 HB2 SER A 120 22.369 -9.254 1.985 1.00 0.00 H new ATOM 0 HB3 SER A 120 22.889 -10.500 3.101 1.00 0.00 H new ATOM 0 HG SER A 120 20.575 -10.485 2.818 1.00 0.00 H new TER 1839 SER A 120