USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=26 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 111 ASN : amide:sc= -0.0855 X(o=0.65,f=0.81) USER MOD Set 1.2: A 112 ASN : amide:sc= 0.734 K(o=0.65,f=-0.98) USER MOD Single : A 6 SER OG : rot 29:sc= 0.173 USER MOD Single : A 7 THR OG1 : rot -42:sc= 1.05 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.696 K(o=-0.7,f=-4.4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00945 USER MOD Single : A 21 SER OG : rot 85:sc= 1.21 USER MOD Single : A 23 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.4) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 130:sc= -0.0566 (180deg=-0.329) USER MOD Single : A 33 LYS NZ :NH3+ 171:sc=-0.00538 (180deg=-0.118) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 91:sc= 1.31 USER MOD Single : A 43 THR OG1 : rot -25:sc= 0.0314 USER MOD Single : A 44 MET CE :methyl -134:sc= 0 (180deg=-0.842) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.252 USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= 1.28 (180deg=0.984) USER MOD Single : A 52 ASN : amide:sc= -0.828 K(o=-0.83,f=-0.014) USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 1.17 (180deg=1.05) USER MOD Single : A 54 MET CE :methyl -121:sc= -0.0231 (180deg=-0.122) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.556 K(o=0.56,f=-1.7!) USER MOD Single : A 70 HIS : no HD1:sc=-0.00915 X(o=-0.0092,f=0) USER MOD Single : A 71 GLN : amide:sc= -0.317 K(o=-0.32,f=-0.83) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 83 THR OG1 : rot 80:sc= 0.191 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 167:sc= -0.0181 (180deg=-0.19) USER MOD Single : A 92 ASN : amide:sc= -0.0852 K(o=-0.085,f=-3.6!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 95 ASN : amide:sc= -0.424 K(o=-0.42,f=-1.1) USER MOD Single : A 96 ASN : amide:sc= -0.212 K(o=-0.21,f=-5.3!) USER MOD Single : A 99 HIS : no HE2:sc= 0.0884 K(o=0.088,f=-2.2) USER MOD Single : A 106 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.14) USER MOD Single : A 109 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.25) USER MOD Single : A 110 LYS NZ :NH3+ -165:sc= -0.0496 (180deg=-0.29) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -150:sc= -1.61 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.480 10.549 -4.599 1.00 0.00 N ATOM 86 CA SER A 6 5.113 10.799 -4.175 1.00 0.00 C ATOM 87 C SER A 6 5.050 11.060 -2.671 1.00 0.00 C ATOM 88 O SER A 6 5.068 10.129 -1.866 1.00 0.00 O ATOM 89 CB SER A 6 4.230 9.607 -4.551 1.00 0.00 C ATOM 90 OG SER A 6 4.375 9.289 -5.927 1.00 0.00 O ATOM 0 HA SER A 6 4.745 11.689 -4.685 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.498 8.743 -3.943 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.187 9.838 -4.334 1.00 0.00 H new ATOM 0 HG SER A 6 5.275 9.536 -6.227 1.00 0.00 H new ATOM 96 N THR A 7 4.996 12.333 -2.304 1.00 0.00 N ATOM 97 CA THR A 7 4.925 12.730 -0.906 1.00 0.00 C ATOM 98 C THR A 7 3.478 12.748 -0.420 1.00 0.00 C ATOM 99 O THR A 7 2.574 12.286 -1.121 1.00 0.00 O ATOM 100 CB THR A 7 5.552 14.123 -0.693 1.00 0.00 C ATOM 101 OG1 THR A 7 4.830 15.117 -1.437 1.00 0.00 O ATOM 102 CG2 THR A 7 7.011 14.127 -1.118 1.00 0.00 C ATOM 0 H THR A 7 5.000 13.113 -2.961 1.00 0.00 H new ATOM 0 HA THR A 7 5.488 11.996 -0.329 1.00 0.00 H new ATOM 0 HB THR A 7 5.494 14.360 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.613 14.767 -2.326 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.433 15.119 -0.959 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.564 13.398 -0.526 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.083 13.867 -2.174 1.00 0.00 H new ATOM 110 N THR A 8 3.259 13.284 0.775 1.00 0.00 N ATOM 111 CA THR A 8 1.918 13.376 1.333 1.00 0.00 C ATOM 112 C THR A 8 1.003 14.200 0.432 1.00 0.00 C ATOM 113 O THR A 8 -0.117 13.787 0.131 1.00 0.00 O ATOM 114 CB THR A 8 1.939 14.000 2.739 1.00 0.00 C ATOM 115 OG1 THR A 8 2.798 13.246 3.605 1.00 0.00 O ATOM 116 CG2 THR A 8 0.539 14.052 3.323 1.00 0.00 C ATOM 0 H THR A 8 3.993 13.661 1.375 1.00 0.00 H new ATOM 0 HA THR A 8 1.532 12.359 1.402 1.00 0.00 H new ATOM 0 HB THR A 8 2.321 15.017 2.654 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.804 13.654 4.496 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.576 14.497 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.102 14.655 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.136 13.042 3.392 1.00 0.00 H new ATOM 124 N GLU A 9 1.499 15.352 -0.011 1.00 0.00 N ATOM 125 CA GLU A 9 0.721 16.252 -0.853 1.00 0.00 C ATOM 126 C GLU A 9 0.256 15.546 -2.122 1.00 0.00 C ATOM 127 O GLU A 9 -0.902 15.669 -2.528 1.00 0.00 O ATOM 128 CB GLU A 9 1.542 17.485 -1.218 1.00 0.00 C ATOM 129 CG GLU A 9 2.051 18.253 -0.012 1.00 0.00 C ATOM 130 CD GLU A 9 2.791 19.514 -0.401 1.00 0.00 C ATOM 131 OE1 GLU A 9 3.880 19.408 -1.004 1.00 0.00 O ATOM 132 OE2 GLU A 9 2.290 20.621 -0.104 1.00 0.00 O ATOM 0 H GLU A 9 2.440 15.684 0.201 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.157 16.564 -0.288 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.391 17.178 -1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 9 0.932 18.149 -1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.210 18.512 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.713 17.612 0.571 1.00 0.00 H new ATOM 139 N ASP A 10 1.168 14.800 -2.736 1.00 0.00 N ATOM 140 CA ASP A 10 0.863 14.033 -3.939 1.00 0.00 C ATOM 141 C ASP A 10 -0.177 12.975 -3.632 1.00 0.00 C ATOM 142 O ASP A 10 -1.167 12.821 -4.350 1.00 0.00 O ATOM 143 CB ASP A 10 2.115 13.344 -4.483 1.00 0.00 C ATOM 144 CG ASP A 10 3.259 14.300 -4.721 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.137 14.411 -3.843 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.289 14.943 -5.789 1.00 0.00 O ATOM 0 H ASP A 10 2.133 14.710 -2.417 1.00 0.00 H new ATOM 0 HA ASP A 10 0.482 14.728 -4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.433 12.573 -3.781 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.869 12.841 -5.418 1.00 0.00 H new ATOM 151 N LEU A 11 0.059 12.254 -2.543 1.00 0.00 N ATOM 152 CA LEU A 11 -0.819 11.177 -2.124 1.00 0.00 C ATOM 153 C LEU A 11 -2.242 11.682 -1.908 1.00 0.00 C ATOM 154 O LEU A 11 -3.202 10.995 -2.244 1.00 0.00 O ATOM 155 CB LEU A 11 -0.284 10.512 -0.853 1.00 0.00 C ATOM 156 CG LEU A 11 -1.152 9.387 -0.303 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.202 8.235 -1.290 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.626 8.920 1.044 1.00 0.00 C ATOM 0 H LEU A 11 0.861 12.401 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.844 10.433 -2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.711 10.116 -1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.171 11.274 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.165 9.763 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.825 7.437 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.623 8.582 -2.233 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.194 7.857 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.258 8.116 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.395 8.556 0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.638 9.752 1.748 1.00 0.00 H new ATOM 170 N GLN A 12 -2.367 12.901 -1.383 1.00 0.00 N ATOM 171 CA GLN A 12 -3.676 13.491 -1.105 1.00 0.00 C ATOM 172 C GLN A 12 -4.519 13.567 -2.371 1.00 0.00 C ATOM 173 O GLN A 12 -5.717 13.283 -2.346 1.00 0.00 O ATOM 174 CB GLN A 12 -3.526 14.887 -0.492 1.00 0.00 C ATOM 175 CG GLN A 12 -2.958 14.887 0.921 1.00 0.00 C ATOM 176 CD GLN A 12 -2.785 16.283 1.494 1.00 0.00 C ATOM 177 OE1 GLN A 12 -1.737 16.911 1.334 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.809 16.773 2.173 1.00 0.00 N ATOM 0 H GLN A 12 -1.577 13.499 -1.142 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.184 12.847 -0.387 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.879 15.486 -1.133 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.501 15.374 -0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.618 14.313 1.571 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.993 14.380 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.659 16.221 2.283 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.748 17.703 2.587 1.00 0.00 H new ATOM 187 N ARG A 13 -3.884 13.930 -3.477 1.00 0.00 N ATOM 188 CA ARG A 13 -4.570 13.993 -4.757 1.00 0.00 C ATOM 189 C ARG A 13 -5.000 12.602 -5.204 1.00 0.00 C ATOM 190 O ARG A 13 -6.139 12.397 -5.625 1.00 0.00 O ATOM 191 CB ARG A 13 -3.677 14.610 -5.831 1.00 0.00 C ATOM 192 CG ARG A 13 -4.313 14.551 -7.208 1.00 0.00 C ATOM 193 CD ARG A 13 -3.411 15.099 -8.294 1.00 0.00 C ATOM 194 NE ARG A 13 -3.977 14.853 -9.619 1.00 0.00 N ATOM 195 CZ ARG A 13 -3.719 15.583 -10.699 1.00 0.00 C ATOM 196 NH1 ARG A 13 -2.894 16.621 -10.632 1.00 0.00 N ATOM 197 NH2 ARG A 13 -4.296 15.273 -11.849 1.00 0.00 N ATOM 0 H ARG A 13 -2.897 14.185 -3.512 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.451 14.621 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.467 15.648 -5.574 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.721 14.087 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.569 13.517 -7.441 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.245 15.115 -7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.270 16.170 -8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.427 14.635 -8.223 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.616 14.064 -9.722 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.452 16.864 -9.746 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.703 17.175 -11.467 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.934 14.479 -11.902 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.103 15.828 -12.682 1.00 0.00 H new ATOM 211 N TYR A 14 -4.083 11.646 -5.095 1.00 0.00 N ATOM 212 CA TYR A 14 -4.321 10.295 -5.593 1.00 0.00 C ATOM 213 C TYR A 14 -5.489 9.642 -4.865 1.00 0.00 C ATOM 214 O TYR A 14 -6.235 8.863 -5.462 1.00 0.00 O ATOM 215 CB TYR A 14 -3.062 9.427 -5.470 1.00 0.00 C ATOM 216 CG TYR A 14 -1.820 10.054 -6.076 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.909 10.944 -7.144 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.555 9.754 -5.584 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.780 11.514 -7.695 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.579 10.323 -6.132 1.00 0.00 C ATOM 221 CZ TYR A 14 0.460 11.202 -7.186 1.00 0.00 C ATOM 222 OH TYR A 14 1.586 11.773 -7.738 1.00 0.00 O ATOM 0 H TYR A 14 -3.168 11.782 -4.666 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.576 10.376 -6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.876 9.222 -4.416 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.246 8.468 -5.954 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.879 11.192 -7.548 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.457 9.064 -4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.869 12.202 -8.522 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.554 10.080 -5.736 1.00 0.00 H new ATOM 0 HH TYR A 14 2.382 11.451 -7.265 1.00 0.00 H new ATOM 232 N ARG A 15 -5.657 9.966 -3.582 1.00 0.00 N ATOM 233 CA ARG A 15 -6.801 9.466 -2.827 1.00 0.00 C ATOM 234 C ARG A 15 -8.084 9.940 -3.484 1.00 0.00 C ATOM 235 O ARG A 15 -8.959 9.145 -3.810 1.00 0.00 O ATOM 236 CB ARG A 15 -6.808 9.940 -1.368 1.00 0.00 C ATOM 237 CG ARG A 15 -5.453 9.945 -0.681 1.00 0.00 C ATOM 238 CD ARG A 15 -5.599 10.247 0.808 1.00 0.00 C ATOM 239 NE ARG A 15 -4.351 10.709 1.420 1.00 0.00 N ATOM 240 CZ ARG A 15 -3.845 10.209 2.551 1.00 0.00 C ATOM 241 NH1 ARG A 15 -4.326 9.083 3.065 1.00 0.00 N ATOM 242 NH2 ARG A 15 -2.810 10.805 3.132 1.00 0.00 N ATOM 0 H ARG A 15 -5.024 10.564 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.727 8.379 -2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.219 10.949 -1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.483 9.301 -0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.970 8.977 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.808 10.690 -1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.369 11.007 0.946 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.941 9.350 1.324 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.837 11.457 0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.088 8.593 2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.934 8.708 3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.403 11.642 2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.422 10.425 3.995 1.00 0.00 H new ATOM 256 N THR A 16 -8.162 11.249 -3.684 1.00 0.00 N ATOM 257 CA THR A 16 -9.319 11.900 -4.282 1.00 0.00 C ATOM 258 C THR A 16 -9.718 11.271 -5.618 1.00 0.00 C ATOM 259 O THR A 16 -10.879 10.906 -5.819 1.00 0.00 O ATOM 260 CB THR A 16 -9.024 13.398 -4.486 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.977 14.063 -3.217 1.00 0.00 O ATOM 262 CG2 THR A 16 -10.059 14.052 -5.384 1.00 0.00 C ATOM 0 H THR A 16 -7.415 11.896 -3.432 1.00 0.00 H new ATOM 0 HA THR A 16 -10.155 11.768 -3.596 1.00 0.00 H new ATOM 0 HB THR A 16 -8.055 13.488 -4.977 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.787 15.015 -3.353 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.819 15.108 -5.506 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.055 13.564 -6.359 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.046 13.954 -4.933 1.00 0.00 H new ATOM 270 N GLU A 17 -8.757 11.143 -6.526 1.00 0.00 N ATOM 271 CA GLU A 17 -9.040 10.624 -7.861 1.00 0.00 C ATOM 272 C GLU A 17 -9.512 9.169 -7.791 1.00 0.00 C ATOM 273 O GLU A 17 -10.328 8.735 -8.605 1.00 0.00 O ATOM 274 CB GLU A 17 -7.814 10.747 -8.777 1.00 0.00 C ATOM 275 CG GLU A 17 -7.023 12.029 -8.564 1.00 0.00 C ATOM 276 CD GLU A 17 -5.907 12.212 -9.574 1.00 0.00 C ATOM 277 OE1 GLU A 17 -4.791 11.709 -9.336 1.00 0.00 O ATOM 278 OE2 GLU A 17 -6.137 12.873 -10.608 1.00 0.00 O ATOM 0 H GLU A 17 -7.780 11.390 -6.365 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.842 11.227 -8.287 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.158 9.893 -8.609 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.140 10.699 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.700 12.881 -8.621 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.599 12.025 -7.560 1.00 0.00 H new ATOM 285 N CYS A 18 -9.018 8.424 -6.808 1.00 0.00 N ATOM 286 CA CYS A 18 -9.478 7.056 -6.593 1.00 0.00 C ATOM 287 C CYS A 18 -10.846 7.045 -5.920 1.00 0.00 C ATOM 288 O CYS A 18 -11.673 6.171 -6.185 1.00 0.00 O ATOM 289 CB CYS A 18 -8.478 6.257 -5.757 1.00 0.00 C ATOM 290 SG CYS A 18 -6.925 5.889 -6.630 1.00 0.00 S ATOM 0 H CYS A 18 -8.304 8.741 -6.152 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.562 6.582 -7.571 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.250 6.814 -4.848 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.942 5.320 -5.449 1.00 0.00 H new ATOM 295 N VAL A 19 -11.088 8.037 -5.072 1.00 0.00 N ATOM 296 CA VAL A 19 -12.335 8.135 -4.337 1.00 0.00 C ATOM 297 C VAL A 19 -13.504 8.341 -5.287 1.00 0.00 C ATOM 298 O VAL A 19 -14.490 7.601 -5.248 1.00 0.00 O ATOM 299 CB VAL A 19 -12.283 9.272 -3.288 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.679 9.743 -2.914 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.538 8.802 -2.050 1.00 0.00 C ATOM 0 H VAL A 19 -10.428 8.790 -4.878 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.481 7.195 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.752 10.116 -3.729 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.608 10.542 -2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -14.188 10.115 -3.803 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -14.244 8.910 -2.495 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.506 9.608 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -12.052 7.942 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.521 8.519 -2.323 1.00 0.00 H new ATOM 311 N SER A 20 -13.371 9.326 -6.158 1.00 0.00 N ATOM 312 CA SER A 20 -14.412 9.647 -7.118 1.00 0.00 C ATOM 313 C SER A 20 -14.617 8.514 -8.134 1.00 0.00 C ATOM 314 O SER A 20 -15.732 8.287 -8.603 1.00 0.00 O ATOM 315 CB SER A 20 -14.059 10.955 -7.828 1.00 0.00 C ATOM 316 OG SER A 20 -12.714 10.939 -8.283 1.00 0.00 O ATOM 0 H SER A 20 -12.545 9.922 -6.220 1.00 0.00 H new ATOM 0 HA SER A 20 -15.353 9.767 -6.581 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.731 11.107 -8.673 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.207 11.794 -7.148 1.00 0.00 H new ATOM 0 HG SER A 20 -12.511 11.785 -8.735 1.00 0.00 H new ATOM 322 N SER A 21 -13.547 7.789 -8.453 1.00 0.00 N ATOM 323 CA SER A 21 -13.615 6.726 -9.448 1.00 0.00 C ATOM 324 C SER A 21 -14.287 5.474 -8.881 1.00 0.00 C ATOM 325 O SER A 21 -15.217 4.936 -9.480 1.00 0.00 O ATOM 326 CB SER A 21 -12.208 6.388 -9.944 1.00 0.00 C ATOM 327 OG SER A 21 -11.614 7.499 -10.598 1.00 0.00 O ATOM 0 H SER A 21 -12.625 7.919 -8.037 1.00 0.00 H new ATOM 0 HA SER A 21 -14.219 7.081 -10.283 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.586 6.083 -9.102 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.255 5.542 -10.629 1.00 0.00 H new ATOM 0 HG SER A 21 -11.191 8.082 -9.933 1.00 0.00 H new ATOM 333 N LEU A 22 -13.831 5.030 -7.714 1.00 0.00 N ATOM 334 CA LEU A 22 -14.333 3.798 -7.112 1.00 0.00 C ATOM 335 C LEU A 22 -15.636 4.030 -6.346 1.00 0.00 C ATOM 336 O LEU A 22 -16.169 3.115 -5.712 1.00 0.00 O ATOM 337 CB LEU A 22 -13.273 3.213 -6.180 1.00 0.00 C ATOM 338 CG LEU A 22 -12.018 2.701 -6.880 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.924 2.431 -5.866 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.330 1.439 -7.661 1.00 0.00 C ATOM 0 H LEU A 22 -13.114 5.505 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.546 3.093 -7.916 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.983 3.976 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.718 2.393 -5.616 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.670 3.466 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.034 2.066 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.685 3.352 -5.335 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.266 1.680 -5.154 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.426 1.084 -8.156 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.696 0.671 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.093 1.654 -8.410 1.00 0.00 H new ATOM 352 N ASN A 23 -16.143 5.261 -6.427 1.00 0.00 N ATOM 353 CA ASN A 23 -17.352 5.677 -5.713 1.00 0.00 C ATOM 354 C ASN A 23 -17.204 5.442 -4.206 1.00 0.00 C ATOM 355 O ASN A 23 -18.128 4.987 -3.532 1.00 0.00 O ATOM 356 CB ASN A 23 -18.586 4.952 -6.258 1.00 0.00 C ATOM 357 CG ASN A 23 -19.883 5.526 -5.714 1.00 0.00 C ATOM 358 OD1 ASN A 23 -19.955 6.707 -5.373 1.00 0.00 O ATOM 359 ND2 ASN A 23 -20.914 4.701 -5.630 1.00 0.00 N ATOM 0 H ASN A 23 -15.725 6.001 -6.992 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.489 6.746 -5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.591 5.017 -7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -18.525 3.894 -6.002 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -21.808 5.037 -5.273 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.815 3.729 -5.923 1.00 0.00 H new ATOM 366 N ILE A 24 -16.024 5.754 -3.687 1.00 0.00 N ATOM 367 CA ILE A 24 -15.741 5.613 -2.269 1.00 0.00 C ATOM 368 C ILE A 24 -16.588 6.591 -1.455 1.00 0.00 C ATOM 369 O ILE A 24 -16.584 7.796 -1.718 1.00 0.00 O ATOM 370 CB ILE A 24 -14.248 5.870 -1.977 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.357 5.009 -2.889 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.940 5.591 -0.514 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.516 3.515 -2.690 1.00 0.00 C ATOM 0 H ILE A 24 -15.241 6.110 -4.236 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.988 4.591 -1.981 1.00 0.00 H new ATOM 0 HB ILE A 24 -14.034 6.918 -2.184 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.581 5.251 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.315 5.277 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.883 5.777 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.543 6.245 0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.173 4.551 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.852 2.984 -3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.263 3.256 -1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.548 3.229 -2.892 1.00 0.00 H new ATOM 385 N PRO A 25 -17.349 6.077 -0.476 1.00 0.00 N ATOM 386 CA PRO A 25 -18.143 6.908 0.429 1.00 0.00 C ATOM 387 C PRO A 25 -17.258 7.796 1.291 1.00 0.00 C ATOM 388 O PRO A 25 -16.171 7.394 1.717 1.00 0.00 O ATOM 389 CB PRO A 25 -18.892 5.904 1.310 1.00 0.00 C ATOM 390 CG PRO A 25 -18.743 4.582 0.649 1.00 0.00 C ATOM 391 CD PRO A 25 -17.489 4.647 -0.177 1.00 0.00 C ATOM 0 HA PRO A 25 -18.807 7.577 -0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.477 5.885 2.318 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.943 6.176 1.404 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.677 3.785 1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.608 4.364 0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.627 4.265 0.371 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.577 4.053 -1.087 1.00 0.00 H new ATOM 399 N ALA A 26 -17.749 9.007 1.542 1.00 0.00 N ATOM 400 CA ALA A 26 -17.028 10.012 2.316 1.00 0.00 C ATOM 401 C ALA A 26 -16.634 9.480 3.687 1.00 0.00 C ATOM 402 O ALA A 26 -15.609 9.876 4.241 1.00 0.00 O ATOM 403 CB ALA A 26 -17.889 11.249 2.471 1.00 0.00 C ATOM 0 H ALA A 26 -18.662 9.319 1.212 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.114 10.264 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.349 11.998 3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -18.127 11.652 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.812 10.987 2.989 1.00 0.00 H new ATOM 409 N ASP A 27 -17.467 8.594 4.226 1.00 0.00 N ATOM 410 CA ASP A 27 -17.195 7.935 5.505 1.00 0.00 C ATOM 411 C ASP A 27 -15.811 7.297 5.514 1.00 0.00 C ATOM 412 O ASP A 27 -15.004 7.552 6.408 1.00 0.00 O ATOM 413 CB ASP A 27 -18.245 6.860 5.790 1.00 0.00 C ATOM 414 CG ASP A 27 -19.614 7.434 6.069 1.00 0.00 C ATOM 415 OD1 ASP A 27 -20.364 7.685 5.104 1.00 0.00 O ATOM 416 OD2 ASP A 27 -19.953 7.623 7.255 1.00 0.00 O ATOM 0 H ASP A 27 -18.346 8.312 3.793 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.236 8.700 6.281 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.307 6.185 4.937 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.925 6.265 6.645 1.00 0.00 H new ATOM 421 N TYR A 28 -15.547 6.453 4.525 1.00 0.00 N ATOM 422 CA TYR A 28 -14.255 5.798 4.407 1.00 0.00 C ATOM 423 C TYR A 28 -13.135 6.816 4.214 1.00 0.00 C ATOM 424 O TYR A 28 -12.040 6.652 4.748 1.00 0.00 O ATOM 425 CB TYR A 28 -14.272 4.807 3.242 1.00 0.00 C ATOM 426 CG TYR A 28 -14.968 3.502 3.566 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.246 2.390 3.981 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.348 3.383 3.459 1.00 0.00 C ATOM 429 CE1 TYR A 28 -14.879 1.198 4.278 1.00 0.00 C ATOM 430 CE2 TYR A 28 -16.988 2.195 3.755 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.249 1.105 4.163 1.00 0.00 C ATOM 432 OH TYR A 28 -16.881 -0.079 4.460 1.00 0.00 O ATOM 0 H TYR A 28 -16.213 6.207 3.793 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.064 5.258 5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.767 5.271 2.389 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.246 4.597 2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.172 2.458 4.073 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -16.931 4.234 3.139 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.302 0.343 4.599 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.062 2.121 3.667 1.00 0.00 H new ATOM 0 HH TYR A 28 -17.847 0.024 4.329 1.00 0.00 H new ATOM 442 N VAL A 29 -13.427 7.875 3.465 1.00 0.00 N ATOM 443 CA VAL A 29 -12.445 8.914 3.166 1.00 0.00 C ATOM 444 C VAL A 29 -11.890 9.556 4.441 1.00 0.00 C ATOM 445 O VAL A 29 -10.677 9.758 4.563 1.00 0.00 O ATOM 446 CB VAL A 29 -13.050 10.001 2.262 1.00 0.00 C ATOM 447 CG1 VAL A 29 -12.019 11.070 1.941 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.588 9.380 0.987 1.00 0.00 C ATOM 0 H VAL A 29 -14.345 8.037 3.050 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.622 8.429 2.640 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.874 10.475 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.469 11.829 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.675 11.533 2.866 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.172 10.616 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.014 10.159 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.777 8.883 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.360 8.651 1.235 1.00 0.00 H new ATOM 458 N GLU A 30 -12.772 9.869 5.392 1.00 0.00 N ATOM 459 CA GLU A 30 -12.346 10.475 6.656 1.00 0.00 C ATOM 460 C GLU A 30 -11.406 9.537 7.398 1.00 0.00 C ATOM 461 O GLU A 30 -10.458 9.975 8.055 1.00 0.00 O ATOM 462 CB GLU A 30 -13.537 10.792 7.559 1.00 0.00 C ATOM 463 CG GLU A 30 -14.737 11.348 6.824 1.00 0.00 C ATOM 464 CD GLU A 30 -15.778 11.909 7.768 1.00 0.00 C ATOM 465 OE1 GLU A 30 -15.812 13.144 7.955 1.00 0.00 O ATOM 466 OE2 GLU A 30 -16.560 11.122 8.342 1.00 0.00 O ATOM 0 H GLU A 30 -13.777 9.715 5.313 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.834 11.406 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.834 9.884 8.083 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.224 11.510 8.317 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.411 12.131 6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.186 10.561 6.218 1.00 0.00 H new ATOM 473 N LYS A 31 -11.678 8.247 7.279 1.00 0.00 N ATOM 474 CA LYS A 31 -10.886 7.227 7.946 1.00 0.00 C ATOM 475 C LYS A 31 -9.495 7.114 7.327 1.00 0.00 C ATOM 476 O LYS A 31 -8.500 7.067 8.043 1.00 0.00 O ATOM 477 CB LYS A 31 -11.603 5.881 7.888 1.00 0.00 C ATOM 478 CG LYS A 31 -12.976 5.925 8.534 1.00 0.00 C ATOM 479 CD LYS A 31 -13.614 4.549 8.613 1.00 0.00 C ATOM 480 CE LYS A 31 -14.989 4.617 9.273 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.903 5.559 8.571 1.00 0.00 N ATOM 0 H LYS A 31 -12.449 7.880 6.721 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.766 7.521 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.704 5.572 6.848 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.994 5.127 8.387 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -12.891 6.343 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.623 6.592 7.964 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.709 4.131 7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.968 3.878 9.179 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.434 3.622 9.285 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.877 4.928 10.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.810 5.087 8.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.065 6.395 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.473 5.854 7.671 1.00 0.00 H new ATOM 495 N PHE A 32 -9.434 7.087 5.999 1.00 0.00 N ATOM 496 CA PHE A 32 -8.163 6.970 5.283 1.00 0.00 C ATOM 497 C PHE A 32 -7.213 8.107 5.647 1.00 0.00 C ATOM 498 O PHE A 32 -6.016 7.893 5.850 1.00 0.00 O ATOM 499 CB PHE A 32 -8.393 6.961 3.771 1.00 0.00 C ATOM 500 CG PHE A 32 -9.322 5.878 3.296 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.399 4.665 3.960 1.00 0.00 C ATOM 502 CD2 PHE A 32 -10.115 6.076 2.178 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.247 3.671 3.518 1.00 0.00 C ATOM 504 CE2 PHE A 32 -10.965 5.082 1.733 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.031 3.879 2.404 1.00 0.00 C ATOM 0 H PHE A 32 -10.252 7.145 5.393 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.707 6.027 5.583 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.796 7.928 3.470 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.432 6.846 3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.788 4.495 4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.068 7.016 1.649 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.297 2.730 4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.578 5.247 0.859 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.696 3.102 2.057 1.00 0.00 H new ATOM 515 N LYS A 33 -7.756 9.314 5.747 1.00 0.00 N ATOM 516 CA LYS A 33 -6.962 10.478 6.112 1.00 0.00 C ATOM 517 C LYS A 33 -6.403 10.319 7.528 1.00 0.00 C ATOM 518 O LYS A 33 -5.344 10.860 7.855 1.00 0.00 O ATOM 519 CB LYS A 33 -7.810 11.746 6.013 1.00 0.00 C ATOM 520 CG LYS A 33 -6.970 13.010 5.933 1.00 0.00 C ATOM 521 CD LYS A 33 -7.806 14.230 5.568 1.00 0.00 C ATOM 522 CE LYS A 33 -8.883 14.523 6.602 1.00 0.00 C ATOM 523 NZ LYS A 33 -8.307 14.821 7.940 1.00 0.00 N ATOM 0 H LYS A 33 -8.743 9.511 5.580 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.125 10.562 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.449 11.683 5.132 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.468 11.806 6.880 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.480 13.180 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.183 12.875 5.191 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.154 15.098 5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.273 14.070 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.483 15.370 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.554 13.667 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.058 15.162 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.885 13.957 8.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.574 15.553 7.847 1.00 0.00 H new ATOM 537 N LYS A 34 -7.112 9.557 8.352 1.00 0.00 N ATOM 538 CA LYS A 34 -6.682 9.287 9.723 1.00 0.00 C ATOM 539 C LYS A 34 -5.947 7.951 9.825 1.00 0.00 C ATOM 540 O LYS A 34 -5.863 7.361 10.904 1.00 0.00 O ATOM 541 CB LYS A 34 -7.885 9.298 10.676 1.00 0.00 C ATOM 542 CG LYS A 34 -8.391 10.690 11.010 1.00 0.00 C ATOM 543 CD LYS A 34 -7.368 11.479 11.810 1.00 0.00 C ATOM 544 CE LYS A 34 -7.886 12.862 12.161 1.00 0.00 C ATOM 545 NZ LYS A 34 -6.906 13.632 12.969 1.00 0.00 N ATOM 0 H LYS A 34 -7.993 9.112 8.095 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.990 10.078 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.697 8.725 10.228 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.609 8.791 11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.624 11.224 10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.318 10.614 11.578 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.123 10.938 12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.446 11.569 11.236 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.111 13.409 11.245 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.820 12.770 12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.297 14.570 13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.710 13.123 13.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.023 13.742 12.431 1.00 0.00 H new ATOM 559 N TRP A 35 -5.418 7.486 8.693 1.00 0.00 N ATOM 560 CA TRP A 35 -4.687 6.223 8.622 1.00 0.00 C ATOM 561 C TRP A 35 -5.495 5.060 9.197 1.00 0.00 C ATOM 562 O TRP A 35 -4.971 4.241 9.951 1.00 0.00 O ATOM 563 CB TRP A 35 -3.351 6.343 9.356 1.00 0.00 C ATOM 564 CG TRP A 35 -2.385 7.274 8.692 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.145 8.577 9.018 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.527 6.971 7.586 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.183 9.100 8.189 1.00 0.00 N ATOM 568 CE2 TRP A 35 -0.790 8.134 7.298 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.310 5.826 6.812 1.00 0.00 C ATOM 570 CZ2 TRP A 35 0.149 8.185 6.271 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.379 5.878 5.793 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.341 7.048 5.531 1.00 0.00 C ATOM 0 H TRP A 35 -5.485 7.975 7.800 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.506 6.011 7.568 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.535 6.688 10.374 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.897 5.355 9.431 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -2.639 9.118 9.812 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.820 10.052 8.229 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.861 4.918 7.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.705 9.088 6.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.204 5.000 5.188 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.064 7.055 4.728 1.00 0.00 H new ATOM 583 N GLU A 36 -6.765 4.992 8.837 1.00 0.00 N ATOM 584 CA GLU A 36 -7.638 3.937 9.314 1.00 0.00 C ATOM 585 C GLU A 36 -8.285 3.229 8.132 1.00 0.00 C ATOM 586 O GLU A 36 -9.067 3.823 7.388 1.00 0.00 O ATOM 587 CB GLU A 36 -8.692 4.520 10.243 1.00 0.00 C ATOM 588 CG GLU A 36 -9.455 3.483 11.038 1.00 0.00 C ATOM 589 CD GLU A 36 -10.515 4.101 11.919 1.00 0.00 C ATOM 590 OE1 GLU A 36 -11.686 4.167 11.492 1.00 0.00 O ATOM 591 OE2 GLU A 36 -10.187 4.525 13.045 1.00 0.00 O ATOM 0 H GLU A 36 -7.215 5.660 8.212 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.054 3.206 9.874 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.209 5.210 10.935 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.399 5.103 9.653 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.922 2.775 10.353 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.758 2.916 11.655 1.00 0.00 H new ATOM 598 N PHE A 37 -7.940 1.966 7.958 1.00 0.00 N ATOM 599 CA PHE A 37 -8.372 1.204 6.791 1.00 0.00 C ATOM 600 C PHE A 37 -9.220 0.001 7.200 1.00 0.00 C ATOM 601 O PHE A 37 -8.682 -1.062 7.510 1.00 0.00 O ATOM 602 CB PHE A 37 -7.140 0.736 6.001 1.00 0.00 C ATOM 603 CG PHE A 37 -6.213 1.860 5.626 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.259 2.310 6.526 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.295 2.470 4.384 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.409 3.347 6.197 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.446 3.509 4.050 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.503 3.948 4.957 1.00 0.00 C ATOM 0 H PHE A 37 -7.359 1.441 8.611 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.987 1.850 6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.592 0.005 6.595 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.469 0.228 5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.180 1.843 7.497 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.030 2.130 3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.671 3.688 6.908 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.521 3.977 3.080 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.840 4.760 4.698 1.00 0.00 H new ATOM 618 N PRO A 38 -10.559 0.156 7.222 1.00 0.00 N ATOM 619 CA PRO A 38 -11.478 -0.939 7.564 1.00 0.00 C ATOM 620 C PRO A 38 -11.337 -2.148 6.646 1.00 0.00 C ATOM 621 O PRO A 38 -11.031 -2.018 5.457 1.00 0.00 O ATOM 622 CB PRO A 38 -12.864 -0.315 7.397 1.00 0.00 C ATOM 623 CG PRO A 38 -12.640 1.146 7.547 1.00 0.00 C ATOM 624 CD PRO A 38 -11.289 1.405 6.935 1.00 0.00 C ATOM 0 HA PRO A 38 -11.278 -1.321 8.565 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.290 -0.552 6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.560 -0.688 8.149 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.418 1.717 7.040 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.660 1.441 8.596 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.359 1.596 5.864 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.801 2.271 7.382 1.00 0.00 H new ATOM 632 N GLU A 39 -11.567 -3.321 7.217 1.00 0.00 N ATOM 633 CA GLU A 39 -11.498 -4.576 6.485 1.00 0.00 C ATOM 634 C GLU A 39 -12.736 -4.742 5.605 1.00 0.00 C ATOM 635 O GLU A 39 -13.718 -5.377 5.999 1.00 0.00 O ATOM 636 CB GLU A 39 -11.381 -5.739 7.470 1.00 0.00 C ATOM 637 CG GLU A 39 -11.016 -7.066 6.825 1.00 0.00 C ATOM 638 CD GLU A 39 -9.564 -7.125 6.406 1.00 0.00 C ATOM 639 OE1 GLU A 39 -8.688 -7.265 7.289 1.00 0.00 O ATOM 640 OE2 GLU A 39 -9.288 -7.043 5.197 1.00 0.00 O ATOM 0 H GLU A 39 -11.807 -3.429 8.202 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.618 -4.569 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.628 -5.492 8.219 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.329 -5.852 7.996 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.222 -7.876 7.525 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.650 -7.229 5.953 1.00 0.00 H new ATOM 647 N ASP A 40 -12.685 -4.155 4.420 1.00 0.00 N ATOM 648 CA ASP A 40 -13.807 -4.196 3.482 1.00 0.00 C ATOM 649 C ASP A 40 -13.316 -3.959 2.061 1.00 0.00 C ATOM 650 O ASP A 40 -12.357 -3.219 1.838 1.00 0.00 O ATOM 651 CB ASP A 40 -14.869 -3.147 3.845 1.00 0.00 C ATOM 652 CG ASP A 40 -16.034 -3.150 2.873 1.00 0.00 C ATOM 653 OD1 ASP A 40 -16.025 -2.347 1.920 1.00 0.00 O ATOM 654 OD2 ASP A 40 -16.959 -3.969 3.047 1.00 0.00 O ATOM 0 H ASP A 40 -11.874 -3.639 4.079 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.261 -5.185 3.546 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.238 -3.340 4.852 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.411 -2.158 3.857 1.00 0.00 H new ATOM 659 N ASP A 41 -14.000 -4.606 1.113 1.00 0.00 N ATOM 660 CA ASP A 41 -13.626 -4.584 -0.307 1.00 0.00 C ATOM 661 C ASP A 41 -13.479 -3.167 -0.845 1.00 0.00 C ATOM 662 O ASP A 41 -12.681 -2.928 -1.756 1.00 0.00 O ATOM 663 CB ASP A 41 -14.660 -5.332 -1.154 1.00 0.00 C ATOM 664 CG ASP A 41 -14.725 -6.808 -0.830 1.00 0.00 C ATOM 665 OD1 ASP A 41 -14.083 -7.607 -1.546 1.00 0.00 O ATOM 666 OD2 ASP A 41 -15.418 -7.181 0.143 1.00 0.00 O ATOM 0 H ASP A 41 -14.832 -5.162 1.308 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.658 -5.080 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -15.642 -4.887 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.418 -5.207 -2.209 1.00 0.00 H new ATOM 671 N THR A 42 -14.257 -2.238 -0.300 1.00 0.00 N ATOM 672 CA THR A 42 -14.165 -0.835 -0.676 1.00 0.00 C ATOM 673 C THR A 42 -12.748 -0.309 -0.451 1.00 0.00 C ATOM 674 O THR A 42 -12.086 0.160 -1.381 1.00 0.00 O ATOM 675 CB THR A 42 -15.153 0.004 0.148 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.470 -0.547 0.041 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.164 1.443 -0.320 1.00 0.00 C ATOM 0 H THR A 42 -14.963 -2.435 0.409 1.00 0.00 H new ATOM 0 HA THR A 42 -14.413 -0.752 -1.734 1.00 0.00 H new ATOM 0 HB THR A 42 -14.832 -0.018 1.189 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.612 -1.197 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 42 -15.872 2.015 0.280 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.167 1.869 -0.210 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.461 1.483 -1.368 1.00 0.00 H new ATOM 685 N THR A 43 -12.290 -0.416 0.788 1.00 0.00 N ATOM 686 CA THR A 43 -10.953 0.008 1.168 1.00 0.00 C ATOM 687 C THR A 43 -9.884 -0.743 0.377 1.00 0.00 C ATOM 688 O THR A 43 -8.860 -0.176 -0.005 1.00 0.00 O ATOM 689 CB THR A 43 -10.728 -0.239 2.668 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.796 0.349 3.421 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.400 0.341 3.126 1.00 0.00 C ATOM 0 H THR A 43 -12.837 -0.800 1.558 1.00 0.00 H new ATOM 0 HA THR A 43 -10.870 1.072 0.946 1.00 0.00 H new ATOM 0 HB THR A 43 -10.708 -1.316 2.837 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.191 1.086 2.909 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.268 0.151 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.587 -0.127 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.391 1.416 2.945 1.00 0.00 H new ATOM 699 N MET A 44 -10.150 -2.013 0.113 1.00 0.00 N ATOM 700 CA MET A 44 -9.178 -2.887 -0.528 1.00 0.00 C ATOM 701 C MET A 44 -8.844 -2.408 -1.934 1.00 0.00 C ATOM 702 O MET A 44 -7.676 -2.220 -2.275 1.00 0.00 O ATOM 703 CB MET A 44 -9.701 -4.321 -0.568 1.00 0.00 C ATOM 704 CG MET A 44 -10.014 -4.871 0.813 1.00 0.00 C ATOM 705 SD MET A 44 -10.744 -6.516 0.783 1.00 0.00 S ATOM 706 CE MET A 44 -10.956 -6.794 2.540 1.00 0.00 C ATOM 0 H MET A 44 -11.037 -2.464 0.334 1.00 0.00 H new ATOM 0 HA MET A 44 -8.262 -2.859 0.062 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.601 -4.358 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.961 -4.960 -1.050 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.096 -4.900 1.400 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.696 -4.189 1.321 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.603 -7.793 2.795 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.383 -6.053 3.097 1.00 0.00 H new ATOM 0 HE3 MET A 44 -12.011 -6.705 2.798 1.00 0.00 H new ATOM 716 N CYS A 45 -9.866 -2.184 -2.745 1.00 0.00 N ATOM 717 CA CYS A 45 -9.632 -1.780 -4.125 1.00 0.00 C ATOM 718 C CYS A 45 -9.211 -0.318 -4.189 1.00 0.00 C ATOM 719 O CYS A 45 -8.558 0.106 -5.144 1.00 0.00 O ATOM 720 CB CYS A 45 -10.852 -2.034 -5.017 1.00 0.00 C ATOM 721 SG CYS A 45 -10.394 -2.540 -6.706 1.00 0.00 S ATOM 0 H CYS A 45 -10.847 -2.272 -2.481 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.820 -2.397 -4.511 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.472 -2.808 -4.566 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.457 -1.129 -5.065 1.00 0.00 H new ATOM 726 N TYR A 46 -9.571 0.447 -3.161 1.00 0.00 N ATOM 727 CA TYR A 46 -9.090 1.812 -3.020 1.00 0.00 C ATOM 728 C TYR A 46 -7.571 1.819 -2.965 1.00 0.00 C ATOM 729 O TYR A 46 -6.914 2.599 -3.657 1.00 0.00 O ATOM 730 CB TYR A 46 -9.686 2.443 -1.760 1.00 0.00 C ATOM 731 CG TYR A 46 -8.966 3.688 -1.285 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.112 4.902 -1.947 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.148 3.648 -0.160 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.466 6.038 -1.499 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.496 4.780 0.288 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.658 5.972 -0.384 1.00 0.00 C ATOM 737 OH TYR A 46 -7.029 7.107 0.067 1.00 0.00 O ATOM 0 H TYR A 46 -10.195 0.141 -2.414 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.405 2.401 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.730 2.692 -1.952 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.677 1.704 -0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.740 4.958 -2.824 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.021 2.716 0.371 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.594 6.975 -2.021 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.862 4.731 1.161 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.498 6.893 0.862 1.00 0.00 H new ATOM 747 N ILE A 47 -7.026 0.921 -2.155 1.00 0.00 N ATOM 748 CA ILE A 47 -5.589 0.763 -2.036 1.00 0.00 C ATOM 749 C ILE A 47 -4.970 0.388 -3.379 1.00 0.00 C ATOM 750 O ILE A 47 -3.911 0.896 -3.737 1.00 0.00 O ATOM 751 CB ILE A 47 -5.227 -0.302 -0.977 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.658 0.165 0.424 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.736 -0.620 -1.011 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.037 1.478 0.857 1.00 0.00 C ATOM 0 H ILE A 47 -7.567 0.287 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.182 1.722 -1.715 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.768 -1.218 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.743 0.265 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.395 -0.605 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.507 -1.372 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.468 -1.001 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.166 0.286 -0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.392 1.737 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.952 1.380 0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.321 2.263 0.156 1.00 0.00 H new ATOM 766 N LYS A 48 -5.645 -0.480 -4.131 1.00 0.00 N ATOM 767 CA LYS A 48 -5.127 -0.920 -5.419 1.00 0.00 C ATOM 768 C LYS A 48 -4.995 0.264 -6.368 1.00 0.00 C ATOM 769 O LYS A 48 -3.953 0.457 -6.991 1.00 0.00 O ATOM 770 CB LYS A 48 -6.031 -1.984 -6.048 1.00 0.00 C ATOM 771 CG LYS A 48 -5.380 -2.692 -7.231 1.00 0.00 C ATOM 772 CD LYS A 48 -6.289 -3.750 -7.837 1.00 0.00 C ATOM 773 CE LYS A 48 -7.324 -3.150 -8.774 1.00 0.00 C ATOM 774 NZ LYS A 48 -6.712 -2.675 -10.045 1.00 0.00 N ATOM 0 H LYS A 48 -6.543 -0.888 -3.871 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.144 -1.360 -5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.296 -2.722 -5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.959 -1.517 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.120 -1.958 -7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.449 -3.157 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.686 -4.476 -8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.795 -4.292 -7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.089 -3.895 -8.995 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.824 -2.318 -8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.457 -2.527 -10.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.212 -1.779 -9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.038 -3.387 -10.393 1.00 0.00 H new ATOM 788 N CYS A 49 -6.060 1.056 -6.461 1.00 0.00 N ATOM 789 CA CYS A 49 -6.074 2.233 -7.325 1.00 0.00 C ATOM 790 C CYS A 49 -4.946 3.198 -6.969 1.00 0.00 C ATOM 791 O CYS A 49 -4.204 3.648 -7.846 1.00 0.00 O ATOM 792 CB CYS A 49 -7.431 2.939 -7.240 1.00 0.00 C ATOM 793 SG CYS A 49 -7.483 4.565 -8.069 1.00 0.00 S ATOM 0 H CYS A 49 -6.927 0.903 -5.947 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.914 1.899 -8.350 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.191 2.295 -7.681 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.694 3.070 -6.190 1.00 0.00 H new ATOM 798 N VAL A 50 -4.810 3.497 -5.681 1.00 0.00 N ATOM 799 CA VAL A 50 -3.808 4.436 -5.212 1.00 0.00 C ATOM 800 C VAL A 50 -2.399 3.907 -5.456 1.00 0.00 C ATOM 801 O VAL A 50 -1.540 4.610 -5.991 1.00 0.00 O ATOM 802 CB VAL A 50 -4.006 4.736 -3.714 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.860 5.564 -3.164 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.326 5.452 -3.498 1.00 0.00 C ATOM 0 H VAL A 50 -5.388 3.097 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.929 5.360 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.022 3.788 -3.176 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.028 5.760 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.925 5.018 -3.288 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.803 6.510 -3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.458 5.660 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.327 6.389 -4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.143 4.822 -3.848 1.00 0.00 H new ATOM 814 N PHE A 51 -2.184 2.652 -5.088 1.00 0.00 N ATOM 815 CA PHE A 51 -0.885 2.010 -5.232 1.00 0.00 C ATOM 816 C PHE A 51 -0.493 1.889 -6.701 1.00 0.00 C ATOM 817 O PHE A 51 0.688 1.879 -7.043 1.00 0.00 O ATOM 818 CB PHE A 51 -0.918 0.627 -4.577 1.00 0.00 C ATOM 819 CG PHE A 51 -0.527 0.617 -3.126 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.734 1.727 -2.320 1.00 0.00 C ATOM 821 CD2 PHE A 51 0.039 -0.516 -2.564 1.00 0.00 C ATOM 822 CE1 PHE A 51 -0.381 1.703 -0.983 1.00 0.00 C ATOM 823 CE2 PHE A 51 0.392 -0.544 -1.231 1.00 0.00 C ATOM 824 CZ PHE A 51 0.183 0.567 -0.439 1.00 0.00 C ATOM 0 H PHE A 51 -2.902 2.052 -4.683 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.137 2.627 -4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.924 0.217 -4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.250 -0.037 -5.125 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.175 2.619 -2.741 1.00 0.00 H new ATOM 0 HD2 PHE A 51 0.206 -1.389 -3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.547 2.573 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.832 -1.435 -0.807 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.460 0.547 0.605 1.00 0.00 H new ATOM 834 N ASN A 52 -1.494 1.811 -7.565 1.00 0.00 N ATOM 835 CA ASN A 52 -1.264 1.696 -8.998 1.00 0.00 C ATOM 836 C ASN A 52 -0.900 3.059 -9.576 1.00 0.00 C ATOM 837 O ASN A 52 -0.041 3.172 -10.449 1.00 0.00 O ATOM 838 CB ASN A 52 -2.516 1.142 -9.688 1.00 0.00 C ATOM 839 CG ASN A 52 -2.296 0.808 -11.155 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.196 0.976 -11.979 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.118 0.305 -11.490 1.00 0.00 N ATOM 0 H ASN A 52 -2.478 1.825 -7.297 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.437 1.008 -9.172 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.844 0.245 -9.164 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.321 1.872 -9.606 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.932 0.042 -12.458 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.396 0.180 -10.780 1.00 0.00 H new ATOM 848 N LYS A 53 -1.542 4.095 -9.052 1.00 0.00 N ATOM 849 CA LYS A 53 -1.303 5.464 -9.494 1.00 0.00 C ATOM 850 C LYS A 53 0.061 5.961 -9.030 1.00 0.00 C ATOM 851 O LYS A 53 0.677 6.816 -9.666 1.00 0.00 O ATOM 852 CB LYS A 53 -2.414 6.377 -8.970 1.00 0.00 C ATOM 853 CG LYS A 53 -3.695 6.309 -9.790 1.00 0.00 C ATOM 854 CD LYS A 53 -4.841 7.016 -9.091 1.00 0.00 C ATOM 855 CE LYS A 53 -4.542 8.486 -8.837 1.00 0.00 C ATOM 856 NZ LYS A 53 -4.291 9.236 -10.094 1.00 0.00 N ATOM 0 H LYS A 53 -2.240 4.012 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.309 5.483 -10.584 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.638 6.107 -7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.053 7.405 -8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.528 6.763 -10.767 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.962 5.267 -9.965 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.742 6.930 -9.698 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.047 6.520 -8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.380 8.939 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.672 8.570 -8.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.193 10.249 -9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.416 8.889 -10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.088 9.096 -10.747 1.00 0.00 H new ATOM 870 N MET A 54 0.532 5.410 -7.922 1.00 0.00 N ATOM 871 CA MET A 54 1.834 5.768 -7.382 1.00 0.00 C ATOM 872 C MET A 54 2.935 4.904 -7.987 1.00 0.00 C ATOM 873 O MET A 54 4.110 5.051 -7.648 1.00 0.00 O ATOM 874 CB MET A 54 1.829 5.630 -5.861 1.00 0.00 C ATOM 875 CG MET A 54 1.019 6.708 -5.168 1.00 0.00 C ATOM 876 SD MET A 54 0.787 6.400 -3.405 1.00 0.00 S ATOM 877 CE MET A 54 2.436 6.689 -2.776 1.00 0.00 C ATOM 0 H MET A 54 0.029 4.710 -7.377 1.00 0.00 H new ATOM 0 HA MET A 54 2.037 6.806 -7.644 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.427 4.653 -5.592 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.855 5.664 -5.496 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.517 7.669 -5.300 1.00 0.00 H new ATOM 0 HG3 MET A 54 0.044 6.786 -5.648 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.800 5.789 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 54 3.101 6.943 -3.601 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.414 7.512 -2.062 1.00 0.00 H new ATOM 887 N GLN A 55 2.530 4.016 -8.900 1.00 0.00 N ATOM 888 CA GLN A 55 3.430 3.068 -9.546 1.00 0.00 C ATOM 889 C GLN A 55 4.168 2.212 -8.524 1.00 0.00 C ATOM 890 O GLN A 55 5.389 2.063 -8.575 1.00 0.00 O ATOM 891 CB GLN A 55 4.411 3.789 -10.463 1.00 0.00 C ATOM 892 CG GLN A 55 3.844 4.069 -11.838 1.00 0.00 C ATOM 893 CD GLN A 55 4.883 4.626 -12.782 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.056 5.839 -12.895 1.00 0.00 O ATOM 895 NE2 GLN A 55 5.585 3.738 -13.464 1.00 0.00 N ATOM 0 H GLN A 55 1.562 3.938 -9.211 1.00 0.00 H new ATOM 0 HA GLN A 55 2.822 2.400 -10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.707 4.730 -10.000 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.314 3.187 -10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.434 3.149 -12.254 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.018 4.775 -11.752 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.407 2.742 -13.338 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.305 4.049 -14.116 1.00 0.00 H new ATOM 904 N LEU A 56 3.410 1.643 -7.604 1.00 0.00 N ATOM 905 CA LEU A 56 3.977 0.859 -6.523 1.00 0.00 C ATOM 906 C LEU A 56 3.429 -0.566 -6.539 1.00 0.00 C ATOM 907 O LEU A 56 4.024 -1.489 -5.978 1.00 0.00 O ATOM 908 CB LEU A 56 3.683 1.556 -5.189 1.00 0.00 C ATOM 909 CG LEU A 56 4.825 2.424 -4.668 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.419 3.148 -3.393 1.00 0.00 C ATOM 911 CD2 LEU A 56 6.063 1.584 -4.426 1.00 0.00 C ATOM 0 H LEU A 56 2.392 1.711 -7.585 1.00 0.00 H new ATOM 0 HA LEU A 56 5.057 0.788 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.794 2.177 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.448 0.799 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 56 5.054 3.172 -5.427 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.250 3.760 -3.042 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.559 3.786 -3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.157 2.418 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.867 2.219 -4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.841 0.812 -3.689 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.373 1.115 -5.360 1.00 0.00 H new ATOM 923 N PHE A 57 2.296 -0.731 -7.204 1.00 0.00 N ATOM 924 CA PHE A 57 1.668 -2.032 -7.355 1.00 0.00 C ATOM 925 C PHE A 57 1.182 -2.186 -8.784 1.00 0.00 C ATOM 926 O PHE A 57 0.550 -1.283 -9.336 1.00 0.00 O ATOM 927 CB PHE A 57 0.497 -2.193 -6.366 1.00 0.00 C ATOM 928 CG PHE A 57 -0.310 -3.452 -6.550 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.451 -3.448 -7.342 1.00 0.00 C ATOM 930 CD2 PHE A 57 0.062 -4.635 -5.928 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.199 -4.597 -7.510 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.685 -5.786 -6.095 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.817 -5.766 -6.886 1.00 0.00 C ATOM 0 H PHE A 57 1.788 0.031 -7.653 1.00 0.00 H new ATOM 0 HA PHE A 57 2.399 -2.810 -7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.891 -2.175 -5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.166 -1.334 -6.466 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.757 -2.536 -7.832 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.945 -4.657 -5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.083 -4.580 -8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.383 -6.701 -5.607 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.402 -6.664 -7.016 1.00 0.00 H new ATOM 943 N ASP A 58 1.497 -3.317 -9.380 1.00 0.00 N ATOM 944 CA ASP A 58 1.056 -3.615 -10.732 1.00 0.00 C ATOM 945 C ASP A 58 -0.099 -4.600 -10.669 1.00 0.00 C ATOM 946 O ASP A 58 -0.051 -5.574 -9.920 1.00 0.00 O ATOM 947 CB ASP A 58 2.215 -4.180 -11.562 1.00 0.00 C ATOM 948 CG ASP A 58 1.808 -4.538 -12.975 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.999 -3.700 -13.879 1.00 0.00 O ATOM 950 OD2 ASP A 58 1.310 -5.658 -13.193 1.00 0.00 O ATOM 0 H ASP A 58 2.060 -4.050 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 58 0.719 -2.699 -11.218 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.022 -3.448 -11.596 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.611 -5.067 -11.067 1.00 0.00 H new ATOM 955 N ASP A 59 -1.135 -4.336 -11.456 1.00 0.00 N ATOM 956 CA ASP A 59 -2.384 -5.104 -11.390 1.00 0.00 C ATOM 957 C ASP A 59 -2.170 -6.550 -11.831 1.00 0.00 C ATOM 958 O ASP A 59 -2.965 -7.436 -11.519 1.00 0.00 O ATOM 959 CB ASP A 59 -3.451 -4.437 -12.263 1.00 0.00 C ATOM 960 CG ASP A 59 -4.805 -5.114 -12.174 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.584 -4.776 -11.255 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.110 -5.965 -13.038 1.00 0.00 O ATOM 0 H ASP A 59 -1.140 -3.592 -12.154 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.722 -5.117 -10.354 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.554 -3.393 -11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.117 -4.442 -13.301 1.00 0.00 H new ATOM 967 N THR A 60 -1.086 -6.773 -12.555 1.00 0.00 N ATOM 968 CA THR A 60 -0.752 -8.091 -13.057 1.00 0.00 C ATOM 969 C THR A 60 0.314 -8.781 -12.195 1.00 0.00 C ATOM 970 O THR A 60 0.083 -9.865 -11.654 1.00 0.00 O ATOM 971 CB THR A 60 -0.252 -7.983 -14.508 1.00 0.00 C ATOM 972 OG1 THR A 60 -1.327 -7.570 -15.365 1.00 0.00 O ATOM 973 CG2 THR A 60 0.327 -9.300 -14.993 1.00 0.00 C ATOM 0 H THR A 60 -0.416 -6.047 -12.809 1.00 0.00 H new ATOM 0 HA THR A 60 -1.656 -8.698 -13.017 1.00 0.00 H new ATOM 0 HB THR A 60 0.542 -7.237 -14.539 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.002 -7.501 -16.287 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.671 -9.189 -16.021 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.166 -9.584 -14.358 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.440 -10.073 -14.948 1.00 0.00 H new ATOM 981 N GLU A 61 1.485 -8.155 -12.081 1.00 0.00 N ATOM 982 CA GLU A 61 2.632 -8.771 -11.414 1.00 0.00 C ATOM 983 C GLU A 61 2.577 -8.628 -9.891 1.00 0.00 C ATOM 984 O GLU A 61 3.267 -9.357 -9.174 1.00 0.00 O ATOM 985 CB GLU A 61 3.937 -8.176 -11.944 1.00 0.00 C ATOM 986 CG GLU A 61 3.982 -8.082 -13.456 1.00 0.00 C ATOM 987 CD GLU A 61 5.296 -7.542 -13.973 1.00 0.00 C ATOM 988 OE1 GLU A 61 6.231 -8.341 -14.189 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.399 -6.318 -14.184 1.00 0.00 O ATOM 0 H GLU A 61 1.665 -7.219 -12.443 1.00 0.00 H new ATOM 0 HA GLU A 61 2.593 -9.836 -11.641 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.073 -7.181 -11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.772 -8.786 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.808 -9.070 -13.882 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.171 -7.440 -13.799 1.00 0.00 H new ATOM 996 N GLY A 62 1.764 -7.711 -9.391 1.00 0.00 N ATOM 997 CA GLY A 62 1.664 -7.528 -7.954 1.00 0.00 C ATOM 998 C GLY A 62 2.559 -6.421 -7.428 1.00 0.00 C ATOM 999 O GLY A 62 2.894 -5.491 -8.162 1.00 0.00 O ATOM 0 H GLY A 62 1.174 -7.093 -9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.629 -7.304 -7.694 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.923 -8.463 -7.456 1.00 0.00 H new ATOM 1003 N PRO A 63 2.950 -6.498 -6.141 1.00 0.00 N ATOM 1004 CA PRO A 63 3.808 -5.493 -5.503 1.00 0.00 C ATOM 1005 C PRO A 63 5.157 -5.365 -6.198 1.00 0.00 C ATOM 1006 O PRO A 63 5.902 -6.339 -6.324 1.00 0.00 O ATOM 1007 CB PRO A 63 4.000 -6.015 -4.072 1.00 0.00 C ATOM 1008 CG PRO A 63 2.902 -6.999 -3.856 1.00 0.00 C ATOM 1009 CD PRO A 63 2.583 -7.576 -5.210 1.00 0.00 C ATOM 0 HA PRO A 63 3.359 -4.501 -5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.977 -6.484 -3.953 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.947 -5.202 -3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.211 -7.781 -3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.026 -6.516 -3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.154 -8.484 -5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.528 -7.838 -5.296 1.00 0.00 H new ATOM 1017 N LEU A 64 5.463 -4.161 -6.650 1.00 0.00 N ATOM 1018 CA LEU A 64 6.726 -3.899 -7.316 1.00 0.00 C ATOM 1019 C LEU A 64 7.786 -3.577 -6.280 1.00 0.00 C ATOM 1020 O LEU A 64 7.983 -2.419 -5.910 1.00 0.00 O ATOM 1021 CB LEU A 64 6.577 -2.757 -8.322 1.00 0.00 C ATOM 1022 CG LEU A 64 5.440 -2.951 -9.328 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.285 -1.729 -10.219 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.698 -4.192 -10.166 1.00 0.00 C ATOM 0 H LEU A 64 4.852 -3.348 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 64 7.032 -4.787 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.411 -1.828 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.514 -2.644 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 64 4.509 -3.082 -8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.470 -1.894 -10.924 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.062 -0.857 -9.605 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.211 -1.559 -10.768 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.885 -4.324 -10.880 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.639 -4.078 -10.704 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.755 -5.065 -9.516 1.00 0.00 H new ATOM 1036 N VAL A 65 8.453 -4.628 -5.815 1.00 0.00 N ATOM 1037 CA VAL A 65 9.410 -4.543 -4.720 1.00 0.00 C ATOM 1038 C VAL A 65 10.450 -3.447 -4.930 1.00 0.00 C ATOM 1039 O VAL A 65 10.776 -2.717 -3.997 1.00 0.00 O ATOM 1040 CB VAL A 65 10.123 -5.888 -4.503 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.216 -5.763 -3.454 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.118 -6.951 -4.102 1.00 0.00 C ATOM 0 H VAL A 65 8.343 -5.570 -6.191 1.00 0.00 H new ATOM 0 HA VAL A 65 8.831 -4.289 -3.833 1.00 0.00 H new ATOM 0 HB VAL A 65 10.593 -6.183 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.704 -6.728 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.951 -5.027 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.778 -5.444 -2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.633 -7.900 -3.951 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.624 -6.654 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.374 -7.064 -4.890 1.00 0.00 H new ATOM 1052 N ASP A 66 10.957 -3.320 -6.149 1.00 0.00 N ATOM 1053 CA ASP A 66 12.006 -2.347 -6.434 1.00 0.00 C ATOM 1054 C ASP A 66 11.540 -0.927 -6.126 1.00 0.00 C ATOM 1055 O ASP A 66 12.204 -0.191 -5.394 1.00 0.00 O ATOM 1056 CB ASP A 66 12.449 -2.444 -7.887 1.00 0.00 C ATOM 1057 CG ASP A 66 13.652 -1.570 -8.178 1.00 0.00 C ATOM 1058 OD1 ASP A 66 13.475 -0.425 -8.646 1.00 0.00 O ATOM 1059 OD2 ASP A 66 14.789 -2.022 -7.926 1.00 0.00 O ATOM 0 H ASP A 66 10.662 -3.874 -6.953 1.00 0.00 H new ATOM 0 HA ASP A 66 12.854 -2.578 -5.789 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.689 -3.481 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.624 -2.152 -8.537 1.00 0.00 H new ATOM 1064 N ASN A 67 10.387 -0.555 -6.671 1.00 0.00 N ATOM 1065 CA ASN A 67 9.812 0.763 -6.422 1.00 0.00 C ATOM 1066 C ASN A 67 9.426 0.905 -4.956 1.00 0.00 C ATOM 1067 O ASN A 67 9.536 1.982 -4.372 1.00 0.00 O ATOM 1068 CB ASN A 67 8.587 0.999 -7.309 1.00 0.00 C ATOM 1069 CG ASN A 67 8.937 1.178 -8.777 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.933 0.640 -9.268 1.00 0.00 O ATOM 1071 ND2 ASN A 67 8.109 1.922 -9.491 1.00 0.00 N ATOM 0 H ASN A 67 9.832 -1.147 -7.288 1.00 0.00 H new ATOM 0 HA ASN A 67 10.566 1.512 -6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.903 0.156 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.057 1.884 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.283 2.068 -10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.296 2.350 -9.047 1.00 0.00 H new ATOM 1078 N LEU A 68 8.980 -0.202 -4.371 1.00 0.00 N ATOM 1079 CA LEU A 68 8.589 -0.242 -2.965 1.00 0.00 C ATOM 1080 C LEU A 68 9.756 0.118 -2.058 1.00 0.00 C ATOM 1081 O LEU A 68 9.618 0.940 -1.155 1.00 0.00 O ATOM 1082 CB LEU A 68 8.035 -1.623 -2.615 1.00 0.00 C ATOM 1083 CG LEU A 68 6.566 -1.825 -2.980 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.214 -3.301 -2.997 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.678 -1.089 -1.995 1.00 0.00 C ATOM 0 H LEU A 68 8.879 -1.094 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 68 7.808 0.501 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.631 -2.380 -3.125 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.157 -1.789 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 68 6.401 -1.421 -3.979 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.163 -3.421 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.833 -3.814 -3.733 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.393 -3.729 -2.011 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.633 -1.240 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.853 -1.473 -0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.910 -0.024 -2.022 1.00 0.00 H new ATOM 1097 N VAL A 69 10.906 -0.490 -2.311 1.00 0.00 N ATOM 1098 CA VAL A 69 12.117 -0.182 -1.570 1.00 0.00 C ATOM 1099 C VAL A 69 12.560 1.247 -1.852 1.00 0.00 C ATOM 1100 O VAL A 69 12.946 1.975 -0.946 1.00 0.00 O ATOM 1101 CB VAL A 69 13.251 -1.154 -1.934 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.520 -0.803 -1.180 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.839 -2.583 -1.637 1.00 0.00 C ATOM 0 H VAL A 69 11.024 -1.204 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 69 11.895 -0.289 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 69 13.450 -1.064 -3.002 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.310 -1.503 -1.452 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.828 0.210 -1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.335 -0.864 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.653 -3.259 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.613 -2.683 -0.575 1.00 0.00 H new ATOM 0 HG23 VAL A 69 11.954 -2.836 -2.222 1.00 0.00 H new ATOM 1113 N HIS A 70 12.466 1.647 -3.110 1.00 0.00 N ATOM 1114 CA HIS A 70 12.871 2.982 -3.530 1.00 0.00 C ATOM 1115 C HIS A 70 12.068 4.059 -2.793 1.00 0.00 C ATOM 1116 O HIS A 70 12.560 5.163 -2.555 1.00 0.00 O ATOM 1117 CB HIS A 70 12.686 3.113 -5.045 1.00 0.00 C ATOM 1118 CG HIS A 70 13.282 4.353 -5.635 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.499 4.366 -6.277 1.00 0.00 N ATOM 1120 CD2 HIS A 70 12.821 5.623 -5.683 1.00 0.00 C ATOM 1121 CE1 HIS A 70 14.762 5.589 -6.691 1.00 0.00 C ATOM 1122 NE2 HIS A 70 13.759 6.374 -6.344 1.00 0.00 N ATOM 0 H HIS A 70 12.110 1.061 -3.865 1.00 0.00 H new ATOM 0 HA HIS A 70 13.922 3.128 -3.280 1.00 0.00 H new ATOM 0 HB2 HIS A 70 13.131 2.244 -5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 70 11.620 3.093 -5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.887 5.980 -5.276 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.649 5.897 -7.224 1.00 0.00 H new ATOM 0 HE2 HIS A 70 13.693 7.374 -6.536 1.00 0.00 H new ATOM 1131 N GLN A 71 10.833 3.736 -2.445 1.00 0.00 N ATOM 1132 CA GLN A 71 9.960 4.674 -1.753 1.00 0.00 C ATOM 1133 C GLN A 71 10.089 4.536 -0.239 1.00 0.00 C ATOM 1134 O GLN A 71 10.376 5.508 0.461 1.00 0.00 O ATOM 1135 CB GLN A 71 8.508 4.443 -2.165 1.00 0.00 C ATOM 1136 CG GLN A 71 7.614 5.655 -1.934 1.00 0.00 C ATOM 1137 CD GLN A 71 8.088 6.887 -2.688 1.00 0.00 C ATOM 1138 OE1 GLN A 71 8.686 6.785 -3.759 1.00 0.00 O ATOM 1139 NE2 GLN A 71 7.839 8.063 -2.131 1.00 0.00 N ATOM 0 H GLN A 71 10.410 2.827 -2.631 1.00 0.00 H new ATOM 0 HA GLN A 71 10.264 5.682 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.476 4.173 -3.221 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.110 3.595 -1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.597 5.415 -2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.580 5.878 -0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.341 8.111 -1.242 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.146 8.920 -2.591 1.00 0.00 H new ATOM 1148 N LEU A 72 9.854 3.330 0.261 1.00 0.00 N ATOM 1149 CA LEU A 72 9.838 3.077 1.702 1.00 0.00 C ATOM 1150 C LEU A 72 11.201 3.306 2.346 1.00 0.00 C ATOM 1151 O LEU A 72 11.290 3.901 3.419 1.00 0.00 O ATOM 1152 CB LEU A 72 9.360 1.654 1.994 1.00 0.00 C ATOM 1153 CG LEU A 72 7.890 1.381 1.674 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.573 -0.093 1.869 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.978 2.231 2.544 1.00 0.00 C ATOM 0 H LEU A 72 9.671 2.505 -0.311 1.00 0.00 H new ATOM 0 HA LEU A 72 9.141 3.792 2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.975 0.958 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.531 1.440 3.049 1.00 0.00 H new ATOM 0 HG LEU A 72 7.715 1.647 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.523 -0.273 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.198 -0.691 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.770 -0.374 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.938 2.018 2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.157 1.999 3.594 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.185 3.286 2.366 1.00 0.00 H new ATOM 1167 N ALA A 73 12.264 2.849 1.690 1.00 0.00 N ATOM 1168 CA ALA A 73 13.615 2.987 2.225 1.00 0.00 C ATOM 1169 C ALA A 73 14.158 4.405 2.055 1.00 0.00 C ATOM 1170 O ALA A 73 15.359 4.602 1.865 1.00 0.00 O ATOM 1171 CB ALA A 73 14.541 1.981 1.570 1.00 0.00 C ATOM 0 H ALA A 73 12.216 2.379 0.786 1.00 0.00 H new ATOM 0 HA ALA A 73 13.567 2.787 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.546 2.093 1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.180 0.972 1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.564 2.154 0.494 1.00 0.00 H new ATOM 1177 N HIS A 74 13.266 5.384 2.126 1.00 0.00 N ATOM 1178 CA HIS A 74 13.639 6.787 1.999 1.00 0.00 C ATOM 1179 C HIS A 74 14.463 7.217 3.211 1.00 0.00 C ATOM 1180 O HIS A 74 13.917 7.658 4.223 1.00 0.00 O ATOM 1181 CB HIS A 74 12.383 7.666 1.865 1.00 0.00 C ATOM 1182 CG HIS A 74 12.670 9.107 1.567 1.00 0.00 C ATOM 1183 ND1 HIS A 74 12.564 10.105 2.513 1.00 0.00 N ATOM 1184 CD2 HIS A 74 13.039 9.721 0.417 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.854 11.267 1.959 1.00 0.00 C ATOM 1186 NE2 HIS A 74 13.145 11.061 0.691 1.00 0.00 N ATOM 0 H HIS A 74 12.268 5.230 2.272 1.00 0.00 H new ATOM 0 HA HIS A 74 14.242 6.912 1.100 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.753 7.261 1.073 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.810 7.605 2.790 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.216 9.245 -0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.853 12.224 2.460 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.407 11.783 0.020 1.00 0.00 H new ATOM 1195 N GLY A 75 15.774 7.059 3.108 1.00 0.00 N ATOM 1196 CA GLY A 75 16.659 7.412 4.196 1.00 0.00 C ATOM 1197 C GLY A 75 16.885 6.258 5.146 1.00 0.00 C ATOM 1198 O GLY A 75 17.107 6.462 6.340 1.00 0.00 O ATOM 0 H GLY A 75 16.243 6.689 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.616 7.740 3.791 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.239 8.255 4.745 1.00 0.00 H new ATOM 1202 N ARG A 76 16.832 5.040 4.618 1.00 0.00 N ATOM 1203 CA ARG A 76 16.992 3.844 5.438 1.00 0.00 C ATOM 1204 C ARG A 76 17.681 2.725 4.667 1.00 0.00 C ATOM 1205 O ARG A 76 18.000 2.875 3.487 1.00 0.00 O ATOM 1206 CB ARG A 76 15.636 3.359 5.951 1.00 0.00 C ATOM 1207 CG ARG A 76 15.271 3.904 7.317 1.00 0.00 C ATOM 1208 CD ARG A 76 14.007 3.259 7.851 1.00 0.00 C ATOM 1209 NE ARG A 76 13.650 3.762 9.173 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.869 3.111 10.030 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.366 1.923 9.708 1.00 0.00 N ATOM 1212 NH2 ARG A 76 12.596 3.647 11.212 1.00 0.00 N ATOM 0 H ARG A 76 16.680 4.855 3.627 1.00 0.00 H new ATOM 0 HA ARG A 76 17.622 4.112 6.286 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.864 3.646 5.237 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.642 2.270 5.994 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.092 3.728 8.012 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.132 4.983 7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.186 3.445 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.145 2.179 7.900 1.00 0.00 H new ATOM 0 HE ARG A 76 14.022 4.668 9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.579 1.508 8.801 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.767 1.427 10.368 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.985 4.556 11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.997 3.150 11.871 1.00 0.00 H new ATOM 1226 N ASP A 77 17.903 1.607 5.351 1.00 0.00 N ATOM 1227 CA ASP A 77 18.551 0.445 4.759 1.00 0.00 C ATOM 1228 C ASP A 77 17.637 -0.228 3.751 1.00 0.00 C ATOM 1229 O ASP A 77 16.655 -0.876 4.119 1.00 0.00 O ATOM 1230 CB ASP A 77 18.944 -0.564 5.841 1.00 0.00 C ATOM 1231 CG ASP A 77 19.956 -0.014 6.818 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.167 -0.183 6.580 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.547 0.588 7.831 1.00 0.00 O ATOM 0 H ASP A 77 17.639 1.482 6.328 1.00 0.00 H new ATOM 0 HA ASP A 77 19.449 0.791 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.051 -0.872 6.385 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.352 -1.457 5.367 1.00 0.00 H new ATOM 1238 N ALA A 78 17.977 -0.074 2.480 1.00 0.00 N ATOM 1239 CA ALA A 78 17.207 -0.657 1.391 1.00 0.00 C ATOM 1240 C ALA A 78 17.117 -2.174 1.524 1.00 0.00 C ATOM 1241 O ALA A 78 16.091 -2.771 1.210 1.00 0.00 O ATOM 1242 CB ALA A 78 17.832 -0.284 0.061 1.00 0.00 C ATOM 0 H ALA A 78 18.792 0.457 2.175 1.00 0.00 H new ATOM 0 HA ALA A 78 16.194 -0.258 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.251 -0.723 -0.750 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.841 0.801 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.854 -0.661 0.021 1.00 0.00 H new ATOM 1248 N GLU A 79 18.199 -2.783 2.001 1.00 0.00 N ATOM 1249 CA GLU A 79 18.250 -4.230 2.196 1.00 0.00 C ATOM 1250 C GLU A 79 17.194 -4.678 3.202 1.00 0.00 C ATOM 1251 O GLU A 79 16.447 -5.626 2.961 1.00 0.00 O ATOM 1252 CB GLU A 79 19.634 -4.663 2.679 1.00 0.00 C ATOM 1253 CG GLU A 79 20.737 -4.475 1.651 1.00 0.00 C ATOM 1254 CD GLU A 79 22.059 -5.042 2.126 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.440 -6.139 1.666 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.714 -4.402 2.976 1.00 0.00 O ATOM 0 H GLU A 79 19.056 -2.295 2.261 1.00 0.00 H new ATOM 0 HA GLU A 79 18.046 -4.702 1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.887 -4.097 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.595 -5.714 2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.449 -4.959 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.855 -3.413 1.436 1.00 0.00 H new ATOM 1263 N GLU A 80 17.135 -3.974 4.327 1.00 0.00 N ATOM 1264 CA GLU A 80 16.180 -4.275 5.380 1.00 0.00 C ATOM 1265 C GLU A 80 14.757 -4.084 4.873 1.00 0.00 C ATOM 1266 O GLU A 80 13.907 -4.962 5.026 1.00 0.00 O ATOM 1267 CB GLU A 80 16.442 -3.361 6.570 1.00 0.00 C ATOM 1268 CG GLU A 80 15.510 -3.584 7.741 1.00 0.00 C ATOM 1269 CD GLU A 80 15.797 -2.635 8.884 1.00 0.00 C ATOM 1270 OE1 GLU A 80 15.157 -1.563 8.951 1.00 0.00 O ATOM 1271 OE2 GLU A 80 16.673 -2.946 9.714 1.00 0.00 O ATOM 0 H GLU A 80 17.746 -3.183 4.531 1.00 0.00 H new ATOM 0 HA GLU A 80 16.297 -5.314 5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.469 -3.505 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.356 -2.325 6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.479 -3.455 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.607 -4.612 8.090 1.00 0.00 H new ATOM 1278 N VAL A 81 14.522 -2.937 4.250 1.00 0.00 N ATOM 1279 CA VAL A 81 13.217 -2.595 3.709 1.00 0.00 C ATOM 1280 C VAL A 81 12.753 -3.622 2.679 1.00 0.00 C ATOM 1281 O VAL A 81 11.611 -4.077 2.721 1.00 0.00 O ATOM 1282 CB VAL A 81 13.252 -1.191 3.089 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.955 -0.866 2.372 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.528 -0.174 4.175 1.00 0.00 C ATOM 0 H VAL A 81 15.232 -2.219 4.106 1.00 0.00 H new ATOM 0 HA VAL A 81 12.500 -2.603 4.530 1.00 0.00 H new ATOM 0 HB VAL A 81 14.048 -1.159 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.016 0.135 1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.789 -1.590 1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.127 -0.909 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.554 0.825 3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.740 -0.222 4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.489 -0.392 4.642 1.00 0.00 H new ATOM 1294 N ARG A 82 13.648 -3.992 1.762 1.00 0.00 N ATOM 1295 CA ARG A 82 13.361 -5.015 0.764 1.00 0.00 C ATOM 1296 C ARG A 82 12.898 -6.304 1.430 1.00 0.00 C ATOM 1297 O ARG A 82 11.920 -6.917 1.006 1.00 0.00 O ATOM 1298 CB ARG A 82 14.605 -5.290 -0.074 1.00 0.00 C ATOM 1299 CG ARG A 82 14.339 -6.213 -1.245 1.00 0.00 C ATOM 1300 CD ARG A 82 15.622 -6.572 -1.963 1.00 0.00 C ATOM 1301 NE ARG A 82 15.381 -7.395 -3.144 1.00 0.00 N ATOM 1302 CZ ARG A 82 16.269 -7.571 -4.122 1.00 0.00 C ATOM 1303 NH1 ARG A 82 17.455 -6.981 -4.060 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.969 -8.341 -5.159 1.00 0.00 N ATOM 0 H ARG A 82 14.584 -3.593 1.693 1.00 0.00 H new ATOM 0 HA ARG A 82 12.562 -4.649 0.119 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.001 -4.345 -0.446 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.374 -5.730 0.561 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.851 -7.121 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.652 -5.732 -1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.139 -5.659 -2.258 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.282 -7.105 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 82 14.479 -7.864 -3.226 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.690 -6.391 -3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.132 -7.118 -4.810 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.059 -8.798 -5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.649 -8.476 -5.908 1.00 0.00 H new ATOM 1318 N THR A 83 13.601 -6.691 2.483 1.00 0.00 N ATOM 1319 CA THR A 83 13.293 -7.908 3.212 1.00 0.00 C ATOM 1320 C THR A 83 11.892 -7.844 3.830 1.00 0.00 C ATOM 1321 O THR A 83 11.066 -8.733 3.613 1.00 0.00 O ATOM 1322 CB THR A 83 14.355 -8.139 4.305 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.595 -8.515 3.692 1.00 0.00 O ATOM 1324 CG2 THR A 83 13.925 -9.201 5.301 1.00 0.00 C ATOM 0 H THR A 83 14.397 -6.172 2.854 1.00 0.00 H new ATOM 0 HA THR A 83 13.308 -8.744 2.513 1.00 0.00 H new ATOM 0 HB THR A 83 14.478 -7.207 4.857 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.049 -7.715 3.355 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.703 -9.331 6.053 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.000 -8.891 5.786 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.763 -10.144 4.780 1.00 0.00 H new ATOM 1332 N GLU A 84 11.631 -6.781 4.587 1.00 0.00 N ATOM 1333 CA GLU A 84 10.338 -6.594 5.235 1.00 0.00 C ATOM 1334 C GLU A 84 9.195 -6.540 4.215 1.00 0.00 C ATOM 1335 O GLU A 84 8.093 -7.022 4.488 1.00 0.00 O ATOM 1336 CB GLU A 84 10.351 -5.325 6.089 1.00 0.00 C ATOM 1337 CG GLU A 84 11.489 -5.291 7.096 1.00 0.00 C ATOM 1338 CD GLU A 84 11.318 -4.223 8.157 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.794 -4.547 9.247 1.00 0.00 O ATOM 1340 OE2 GLU A 84 11.719 -3.063 7.925 1.00 0.00 O ATOM 0 H GLU A 84 12.302 -6.034 4.766 1.00 0.00 H new ATOM 0 HA GLU A 84 10.163 -7.455 5.880 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.427 -4.456 5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.403 -5.243 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.566 -6.265 7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.427 -5.122 6.568 1.00 0.00 H new ATOM 1347 N VAL A 85 9.453 -5.946 3.051 1.00 0.00 N ATOM 1348 CA VAL A 85 8.471 -5.920 1.970 1.00 0.00 C ATOM 1349 C VAL A 85 8.179 -7.330 1.455 1.00 0.00 C ATOM 1350 O VAL A 85 7.020 -7.734 1.357 1.00 0.00 O ATOM 1351 CB VAL A 85 8.951 -5.041 0.796 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.115 -5.293 -0.446 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.893 -3.574 1.181 1.00 0.00 C ATOM 0 H VAL A 85 10.332 -5.477 2.833 1.00 0.00 H new ATOM 0 HA VAL A 85 7.557 -5.493 2.382 1.00 0.00 H new ATOM 0 HB VAL A 85 9.984 -5.306 0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.473 -4.662 -1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.200 -6.341 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.072 -5.058 -0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.234 -2.964 0.344 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.867 -3.304 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.536 -3.399 2.044 1.00 0.00 H new ATOM 1363 N LEU A 86 9.237 -8.070 1.135 1.00 0.00 N ATOM 1364 CA LEU A 86 9.113 -9.424 0.600 1.00 0.00 C ATOM 1365 C LEU A 86 8.334 -10.332 1.543 1.00 0.00 C ATOM 1366 O LEU A 86 7.610 -11.222 1.102 1.00 0.00 O ATOM 1367 CB LEU A 86 10.497 -10.018 0.342 1.00 0.00 C ATOM 1368 CG LEU A 86 11.265 -9.386 -0.811 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.722 -9.806 -0.761 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.640 -9.782 -2.136 1.00 0.00 C ATOM 0 H LEU A 86 10.200 -7.751 1.238 1.00 0.00 H new ATOM 0 HA LEU A 86 8.562 -9.357 -0.338 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.092 -9.922 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.387 -11.084 0.144 1.00 0.00 H new ATOM 0 HG LEU A 86 11.215 -8.301 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.261 -9.348 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.162 -9.481 0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.791 -10.891 -0.839 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.198 -9.324 -2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.667 -10.867 -2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.605 -9.440 -2.167 1.00 0.00 H new ATOM 1382 N LYS A 87 8.467 -10.087 2.841 1.00 0.00 N ATOM 1383 CA LYS A 87 7.769 -10.882 3.847 1.00 0.00 C ATOM 1384 C LYS A 87 6.274 -10.573 3.850 1.00 0.00 C ATOM 1385 O LYS A 87 5.489 -11.250 4.512 1.00 0.00 O ATOM 1386 CB LYS A 87 8.360 -10.626 5.234 1.00 0.00 C ATOM 1387 CG LYS A 87 9.759 -11.195 5.412 1.00 0.00 C ATOM 1388 CD LYS A 87 10.321 -10.866 6.782 1.00 0.00 C ATOM 1389 CE LYS A 87 11.689 -11.498 6.996 1.00 0.00 C ATOM 1390 NZ LYS A 87 12.191 -11.276 8.378 1.00 0.00 N ATOM 0 H LYS A 87 9.052 -9.344 3.223 1.00 0.00 H new ATOM 0 HA LYS A 87 7.901 -11.934 3.594 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.388 -9.552 5.416 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.701 -11.060 5.987 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.733 -12.276 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.417 -10.794 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.398 -9.784 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.633 -11.217 7.551 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.630 -12.568 6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.398 -11.081 6.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.125 -11.721 8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.272 -10.255 8.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.528 -11.696 9.060 1.00 0.00 H new ATOM 1404 N CYS A 88 5.890 -9.550 3.103 1.00 0.00 N ATOM 1405 CA CYS A 88 4.494 -9.155 2.995 1.00 0.00 C ATOM 1406 C CYS A 88 3.972 -9.360 1.578 1.00 0.00 C ATOM 1407 O CYS A 88 2.778 -9.207 1.316 1.00 0.00 O ATOM 1408 CB CYS A 88 4.326 -7.702 3.425 1.00 0.00 C ATOM 1409 SG CYS A 88 4.218 -7.494 5.230 1.00 0.00 S ATOM 0 H CYS A 88 6.531 -8.974 2.558 1.00 0.00 H new ATOM 0 HA CYS A 88 3.907 -9.789 3.660 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.167 -7.119 3.049 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.425 -7.296 2.965 1.00 0.00 H new ATOM 1414 N VAL A 89 4.874 -9.697 0.664 1.00 0.00 N ATOM 1415 CA VAL A 89 4.491 -9.991 -0.703 1.00 0.00 C ATOM 1416 C VAL A 89 3.776 -11.335 -0.770 1.00 0.00 C ATOM 1417 O VAL A 89 4.381 -12.392 -0.588 1.00 0.00 O ATOM 1418 CB VAL A 89 5.713 -9.985 -1.643 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.324 -10.464 -3.028 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.312 -8.589 -1.721 1.00 0.00 C ATOM 0 H VAL A 89 5.874 -9.772 0.849 1.00 0.00 H new ATOM 0 HA VAL A 89 3.810 -9.209 -1.038 1.00 0.00 H new ATOM 0 HB VAL A 89 6.461 -10.667 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.200 -10.452 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.932 -11.479 -2.965 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.559 -9.805 -3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.174 -8.600 -2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.565 -7.894 -2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.627 -8.272 -0.727 1.00 0.00 H new ATOM 1430 N ASP A 90 2.479 -11.274 -1.006 1.00 0.00 N ATOM 1431 CA ASP A 90 1.646 -12.462 -1.054 1.00 0.00 C ATOM 1432 C ASP A 90 1.119 -12.653 -2.474 1.00 0.00 C ATOM 1433 O ASP A 90 1.326 -11.794 -3.330 1.00 0.00 O ATOM 1434 CB ASP A 90 0.490 -12.315 -0.060 1.00 0.00 C ATOM 1435 CG ASP A 90 -0.126 -13.643 0.336 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.360 -14.267 1.302 1.00 0.00 O ATOM 1437 OD2 ASP A 90 -1.109 -14.064 -0.303 1.00 0.00 O ATOM 0 H ASP A 90 1.974 -10.403 -1.169 1.00 0.00 H new ATOM 0 HA ASP A 90 2.231 -13.339 -0.778 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.850 -11.807 0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.280 -11.680 -0.499 1.00 0.00 H new ATOM 1442 N LYS A 91 0.472 -13.780 -2.730 1.00 0.00 N ATOM 1443 CA LYS A 91 -0.070 -14.075 -4.053 1.00 0.00 C ATOM 1444 C LYS A 91 -1.573 -13.811 -4.096 1.00 0.00 C ATOM 1445 O LYS A 91 -2.229 -13.708 -3.059 1.00 0.00 O ATOM 1446 CB LYS A 91 0.209 -15.530 -4.430 1.00 0.00 C ATOM 1447 CG LYS A 91 1.617 -15.981 -4.094 1.00 0.00 C ATOM 1448 CD LYS A 91 1.897 -17.390 -4.594 1.00 0.00 C ATOM 1449 CE LYS A 91 1.897 -17.465 -6.115 1.00 0.00 C ATOM 1450 NZ LYS A 91 2.994 -16.659 -6.717 1.00 0.00 N ATOM 0 H LYS A 91 0.308 -14.510 -2.037 1.00 0.00 H new ATOM 0 HA LYS A 91 0.420 -13.418 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.503 -16.174 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.040 -15.659 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.335 -15.290 -4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.762 -15.944 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.862 -17.724 -4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.145 -18.072 -4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.999 -18.505 -6.426 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.938 -17.112 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.097 -16.908 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.768 -15.647 -6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 3.885 -16.858 -6.218 1.00 0.00 H new ATOM 1464 N ASN A 92 -2.106 -13.713 -5.307 1.00 0.00 N ATOM 1465 CA ASN A 92 -3.523 -13.432 -5.518 1.00 0.00 C ATOM 1466 C ASN A 92 -4.337 -14.718 -5.472 1.00 0.00 C ATOM 1467 O ASN A 92 -4.950 -15.127 -6.459 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.723 -12.728 -6.862 1.00 0.00 C ATOM 1469 CG ASN A 92 -5.146 -12.241 -7.083 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.898 -12.012 -6.134 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -5.511 -12.063 -8.343 1.00 0.00 N ATOM 0 H ASN A 92 -1.572 -13.825 -6.169 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.870 -12.777 -4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.043 -11.879 -6.924 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.452 -13.412 -7.666 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.448 -11.723 -8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.855 -12.266 -9.097 1.00 0.00 H new ATOM 1478 N THR A 93 -4.342 -15.353 -4.313 1.00 0.00 N ATOM 1479 CA THR A 93 -5.066 -16.597 -4.124 1.00 0.00 C ATOM 1480 C THR A 93 -6.571 -16.363 -4.035 1.00 0.00 C ATOM 1481 O THR A 93 -7.364 -17.277 -4.262 1.00 0.00 O ATOM 1482 CB THR A 93 -4.583 -17.312 -2.855 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.542 -16.386 -1.761 1.00 0.00 O ATOM 1484 CG2 THR A 93 -3.204 -17.906 -3.070 1.00 0.00 C ATOM 0 H THR A 93 -3.849 -15.024 -3.483 1.00 0.00 H new ATOM 0 HA THR A 93 -4.867 -17.224 -4.993 1.00 0.00 H new ATOM 0 HB THR A 93 -5.280 -18.118 -2.625 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.235 -16.848 -0.953 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.878 -18.409 -2.159 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.241 -18.625 -3.888 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.500 -17.111 -3.317 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.960 -15.134 -3.723 1.00 0.00 N ATOM 1493 CA ASP A 94 -8.372 -14.798 -3.562 1.00 0.00 C ATOM 1494 C ASP A 94 -9.015 -14.480 -4.901 1.00 0.00 C ATOM 1495 O ASP A 94 -10.237 -14.380 -5.004 1.00 0.00 O ATOM 1496 CB ASP A 94 -8.544 -13.609 -2.621 1.00 0.00 C ATOM 1497 CG ASP A 94 -8.016 -13.884 -1.234 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -8.748 -14.485 -0.416 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -6.870 -13.498 -0.952 1.00 0.00 O ATOM 0 H ASP A 94 -6.320 -14.353 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.867 -15.669 -3.131 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.028 -12.744 -3.037 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.601 -13.350 -2.558 1.00 0.00 H new ATOM 1504 N ASN A 95 -8.173 -14.333 -5.922 1.00 0.00 N ATOM 1505 CA ASN A 95 -8.617 -14.064 -7.287 1.00 0.00 C ATOM 1506 C ASN A 95 -9.275 -12.680 -7.403 1.00 0.00 C ATOM 1507 O ASN A 95 -10.105 -12.434 -8.279 1.00 0.00 O ATOM 1508 CB ASN A 95 -9.566 -15.174 -7.755 1.00 0.00 C ATOM 1509 CG ASN A 95 -9.905 -15.107 -9.229 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -9.102 -14.669 -10.050 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -11.103 -15.549 -9.569 1.00 0.00 N ATOM 0 H ASN A 95 -7.160 -14.397 -5.825 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.743 -14.055 -7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.113 -16.142 -7.540 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.488 -15.118 -7.177 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -11.393 -15.535 -10.547 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.738 -15.904 -8.854 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.899 -11.774 -6.506 1.00 0.00 N ATOM 1519 CA ASN A 96 -9.312 -10.378 -6.611 1.00 0.00 C ATOM 1520 C ASN A 96 -8.117 -9.473 -6.359 1.00 0.00 C ATOM 1521 O ASN A 96 -7.575 -9.438 -5.254 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.444 -10.016 -5.630 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.796 -11.121 -4.655 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.209 -11.222 -3.581 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.775 -11.937 -5.006 1.00 0.00 N ATOM 0 H ASN A 96 -8.310 -11.980 -5.699 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.698 -10.232 -7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.153 -9.129 -5.067 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -11.334 -9.753 -6.201 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -12.068 -12.683 -4.375 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -12.238 -11.820 -5.907 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.718 -8.740 -7.390 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.551 -7.871 -7.321 1.00 0.00 C ATOM 1534 C ALA A 97 -6.728 -6.783 -6.266 1.00 0.00 C ATOM 1535 O ALA A 97 -5.753 -6.315 -5.677 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.278 -7.253 -8.683 1.00 0.00 C ATOM 0 H ALA A 97 -8.192 -8.731 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.694 -8.478 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.404 -6.605 -8.620 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.093 -8.043 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.142 -6.667 -8.996 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.975 -6.384 -6.028 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.276 -5.381 -5.009 1.00 0.00 C ATOM 1544 C CYS A 98 -7.860 -5.890 -3.626 1.00 0.00 C ATOM 1545 O CYS A 98 -7.292 -5.153 -2.822 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.771 -5.040 -5.015 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.429 -4.574 -6.658 1.00 0.00 S ATOM 0 H CYS A 98 -8.792 -6.739 -6.525 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.712 -4.477 -5.238 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.329 -5.899 -4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.948 -4.220 -4.320 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.110 -7.170 -3.375 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.795 -7.781 -2.090 1.00 0.00 C ATOM 1554 C HIS A 99 -6.313 -8.144 -2.041 1.00 0.00 C ATOM 1555 O HIS A 99 -5.706 -8.197 -0.971 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.667 -9.028 -1.884 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.638 -9.598 -0.497 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.667 -9.432 0.401 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -7.719 -10.368 0.128 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -9.385 -10.075 1.517 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.209 -10.654 1.379 1.00 0.00 N ATOM 0 H HIS A 99 -8.533 -7.808 -4.050 1.00 0.00 H new ATOM 0 HA HIS A 99 -8.004 -7.074 -1.288 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.697 -8.778 -2.137 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.345 -9.798 -2.584 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -10.517 -8.894 0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.775 -10.697 -0.280 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -10.012 -10.120 2.396 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.745 -8.382 -3.216 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.334 -8.735 -3.348 1.00 0.00 C ATOM 1572 C TRP A 100 -3.444 -7.590 -2.865 1.00 0.00 C ATOM 1573 O TRP A 100 -2.618 -7.766 -1.964 1.00 0.00 O ATOM 1574 CB TRP A 100 -4.016 -9.079 -4.811 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.621 -9.588 -5.038 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.702 -9.931 -4.089 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.999 -9.834 -6.304 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.547 -10.362 -4.686 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.704 -10.318 -6.045 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.412 -9.692 -7.632 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.179 -10.662 -7.065 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.536 -10.033 -8.642 1.00 0.00 C ATOM 1583 CH2 TRP A 100 -0.254 -10.515 -8.356 1.00 0.00 C ATOM 0 H TRP A 100 -6.246 -8.336 -4.103 1.00 0.00 H new ATOM 0 HA TRP A 100 -4.133 -9.608 -2.727 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.725 -9.831 -5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.170 -8.190 -5.423 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.862 -9.871 -3.023 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.295 -10.667 -4.197 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.400 -9.322 -7.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.170 -11.032 -6.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.845 -9.926 -9.671 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.407 -10.776 -9.169 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.628 -6.418 -3.464 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.845 -5.239 -3.114 1.00 0.00 C ATOM 1596 C ALA A 101 -3.066 -4.859 -1.660 1.00 0.00 C ATOM 1597 O ALA A 101 -2.145 -4.418 -0.969 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.215 -4.078 -4.019 1.00 0.00 C ATOM 0 H ALA A 101 -4.317 -6.259 -4.199 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.790 -5.474 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.624 -3.203 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.013 -4.346 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.275 -3.850 -3.903 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.293 -5.053 -1.201 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.657 -4.703 0.156 1.00 0.00 C ATOM 1606 C PHE A 102 -3.918 -5.577 1.165 1.00 0.00 C ATOM 1607 O PHE A 102 -3.556 -5.111 2.241 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.169 -4.810 0.355 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.626 -4.399 1.728 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.144 -5.328 2.618 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.540 -3.075 2.126 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.566 -4.939 3.875 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -6.960 -2.682 3.381 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.474 -3.615 4.258 1.00 0.00 C ATOM 0 H PHE A 102 -5.052 -5.452 -1.753 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.361 -3.668 0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.670 -4.188 -0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.480 -5.838 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.218 -6.365 2.326 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.139 -2.339 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.968 -5.671 4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.886 -1.646 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 102 -7.803 -3.311 5.241 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.672 -6.838 0.807 1.00 0.00 N ATOM 1625 CA ARG A 103 -2.981 -7.756 1.704 1.00 0.00 C ATOM 1626 C ARG A 103 -1.528 -7.336 1.881 1.00 0.00 C ATOM 1627 O ARG A 103 -0.986 -7.400 2.985 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.057 -9.200 1.200 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.321 -10.173 2.112 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.871 -11.590 2.043 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.958 -12.107 0.678 1.00 0.00 N ATOM 1632 CZ ARG A 103 -4.081 -12.570 0.138 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -5.226 -12.471 0.794 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -4.069 -13.129 -1.065 1.00 0.00 N ATOM 0 H ARG A 103 -3.940 -7.242 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.483 -7.712 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.102 -9.500 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.633 -9.255 0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.265 -10.186 1.842 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -2.383 -9.816 3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.235 -12.249 2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.862 -11.611 2.497 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.111 -12.113 0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -5.249 -12.038 1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -6.086 -12.827 0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.194 -13.206 -1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -4.935 -13.482 -1.472 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.913 -6.889 0.794 1.00 0.00 N ATOM 1649 CA GLY A 104 0.465 -6.438 0.858 1.00 0.00 C ATOM 1650 C GLY A 104 0.614 -5.232 1.764 1.00 0.00 C ATOM 1651 O GLY A 104 1.500 -5.186 2.618 1.00 0.00 O ATOM 0 H GLY A 104 -1.342 -6.830 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.097 -7.248 1.222 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.814 -6.187 -0.144 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.279 -4.265 1.587 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.269 -3.050 2.388 1.00 0.00 C ATOM 1657 C PHE A 105 -0.587 -3.363 3.850 1.00 0.00 C ATOM 1658 O PHE A 105 0.128 -2.938 4.755 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.278 -2.049 1.815 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.560 -0.876 2.711 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -0.521 -0.112 3.217 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -2.863 -0.530 3.037 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -0.776 0.972 4.033 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -3.121 0.552 3.854 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.076 1.304 4.352 1.00 0.00 C ATOM 0 H PHE A 105 -1.023 -4.301 0.890 1.00 0.00 H new ATOM 0 HA PHE A 105 0.727 -2.609 2.351 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.904 -1.680 0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.214 -2.570 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.499 -0.367 2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.684 -1.113 2.647 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.042 1.560 4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.140 0.810 4.103 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.276 2.151 4.991 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.645 -4.137 4.056 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.133 -4.464 5.394 1.00 0.00 C ATOM 1677 C LYS A 106 -1.073 -5.210 6.209 1.00 0.00 C ATOM 1678 O LYS A 106 -0.862 -4.913 7.386 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.435 -5.275 5.290 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.731 -6.162 6.481 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.988 -6.982 6.247 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.281 -7.922 7.405 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.483 -8.754 7.146 1.00 0.00 N ATOM 0 H LYS A 106 -2.190 -4.556 3.303 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.344 -3.535 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.267 -4.584 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.388 -5.896 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.887 -6.827 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.853 -5.549 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.835 -6.312 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.877 -7.561 5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.420 -8.569 7.575 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.429 -7.342 8.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.731 -9.283 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.278 -8.141 6.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.283 -9.422 6.375 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.400 -6.161 5.570 1.00 0.00 N ATOM 1698 CA CYS A 107 0.654 -6.929 6.220 1.00 0.00 C ATOM 1699 C CYS A 107 1.787 -6.023 6.687 1.00 0.00 C ATOM 1700 O CYS A 107 2.296 -6.161 7.802 1.00 0.00 O ATOM 1701 CB CYS A 107 1.194 -7.991 5.253 1.00 0.00 C ATOM 1702 SG CYS A 107 2.749 -8.788 5.787 1.00 0.00 S ATOM 0 H CYS A 107 -0.568 -6.419 4.597 1.00 0.00 H new ATOM 0 HA CYS A 107 0.230 -7.418 7.097 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.434 -8.761 5.119 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.354 -7.528 4.279 1.00 0.00 H new ATOM 1707 N PHE A 108 2.161 -5.082 5.834 1.00 0.00 N ATOM 1708 CA PHE A 108 3.312 -4.233 6.086 1.00 0.00 C ATOM 1709 C PHE A 108 2.992 -3.197 7.161 1.00 0.00 C ATOM 1710 O PHE A 108 3.757 -3.014 8.110 1.00 0.00 O ATOM 1711 CB PHE A 108 3.736 -3.557 4.783 1.00 0.00 C ATOM 1712 CG PHE A 108 5.129 -2.994 4.807 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.204 -3.769 4.401 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.367 -1.696 5.228 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.487 -3.260 4.414 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.649 -1.183 5.244 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.710 -1.967 4.837 1.00 0.00 C ATOM 0 H PHE A 108 1.680 -4.887 4.956 1.00 0.00 H new ATOM 0 HA PHE A 108 4.137 -4.844 6.453 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.662 -4.280 3.971 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.035 -2.753 4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.036 -4.783 4.070 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.541 -1.078 5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.315 -3.874 4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.821 -0.169 5.575 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.713 -1.568 4.850 1.00 0.00 H new ATOM 1727 N GLN A 109 1.840 -2.546 7.029 1.00 0.00 N ATOM 1728 CA GLN A 109 1.433 -1.498 7.962 1.00 0.00 C ATOM 1729 C GLN A 109 1.113 -2.056 9.348 1.00 0.00 C ATOM 1730 O GLN A 109 0.929 -1.301 10.301 1.00 0.00 O ATOM 1731 CB GLN A 109 0.236 -0.715 7.403 1.00 0.00 C ATOM 1732 CG GLN A 109 -1.059 -1.508 7.235 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.965 -1.461 8.458 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -2.755 -0.532 8.623 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -1.900 -2.485 9.294 1.00 0.00 N ATOM 0 H GLN A 109 1.169 -2.726 6.282 1.00 0.00 H new ATOM 0 HA GLN A 109 2.277 -0.818 8.076 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.039 0.130 8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.516 -0.304 6.433 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.604 -1.120 6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.813 -2.547 7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.233 -3.238 9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.517 -2.521 10.105 1.00 0.00 H new ATOM 1744 N LYS A 110 1.048 -3.378 9.455 1.00 0.00 N ATOM 1745 CA LYS A 110 0.735 -4.033 10.714 1.00 0.00 C ATOM 1746 C LYS A 110 1.823 -3.770 11.753 1.00 0.00 C ATOM 1747 O LYS A 110 1.534 -3.603 12.936 1.00 0.00 O ATOM 1748 CB LYS A 110 0.561 -5.535 10.487 1.00 0.00 C ATOM 1749 CG LYS A 110 0.261 -6.315 11.754 1.00 0.00 C ATOM 1750 CD LYS A 110 0.006 -7.789 11.470 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.293 -8.012 10.711 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.477 -7.555 11.486 1.00 0.00 N ATOM 0 H LYS A 110 1.210 -4.019 8.678 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.198 -3.621 11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.248 -5.694 9.774 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.469 -5.932 10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 110 1.098 -6.219 12.446 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.611 -5.885 12.247 1.00 0.00 H new ATOM 0 HD2 LYS A 110 0.836 -8.195 10.892 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.026 -8.338 12.411 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.254 -7.479 9.761 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.399 -9.071 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.342 -7.946 11.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.395 -7.882 12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.523 -6.516 11.470 1.00 0.00 H new ATOM 1766 N ASN A 111 3.070 -3.722 11.309 1.00 0.00 N ATOM 1767 CA ASN A 111 4.183 -3.511 12.224 1.00 0.00 C ATOM 1768 C ASN A 111 5.103 -2.397 11.724 1.00 0.00 C ATOM 1769 O ASN A 111 5.914 -1.859 12.481 1.00 0.00 O ATOM 1770 CB ASN A 111 4.955 -4.828 12.427 1.00 0.00 C ATOM 1771 CG ASN A 111 6.324 -4.857 11.765 1.00 0.00 C ATOM 1772 OD1 ASN A 111 7.329 -4.480 12.368 1.00 0.00 O ATOM 1773 ND2 ASN A 111 6.377 -5.338 10.530 1.00 0.00 N ATOM 0 H ASN A 111 3.336 -3.825 10.330 1.00 0.00 H new ATOM 0 HA ASN A 111 3.786 -3.193 13.188 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.077 -5.003 13.496 1.00 0.00 H new ATOM 0 HB3 ASN A 111 4.357 -5.651 12.035 1.00 0.00 H new ATOM 0 HD21 ASN A 111 7.273 -5.405 10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.522 -5.640 10.063 1.00 0.00 H new ATOM 1780 N ASN A 112 4.953 -2.024 10.459 1.00 0.00 N ATOM 1781 CA ASN A 112 5.818 -1.015 9.857 1.00 0.00 C ATOM 1782 C ASN A 112 5.015 0.119 9.229 1.00 0.00 C ATOM 1783 O ASN A 112 5.234 0.478 8.073 1.00 0.00 O ATOM 1784 CB ASN A 112 6.727 -1.650 8.801 1.00 0.00 C ATOM 1785 CG ASN A 112 7.850 -2.463 9.407 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.373 -2.125 10.465 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.216 -3.555 8.754 1.00 0.00 N ATOM 0 H ASN A 112 4.244 -2.403 9.832 1.00 0.00 H new ATOM 0 HA ASN A 112 6.428 -0.594 10.656 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.130 -2.291 8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.150 -0.866 8.173 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.957 -4.149 9.128 1.00 0.00 H new ATOM 0 HD22 ASN A 112 7.757 -3.803 7.877 1.00 0.00 H new ATOM 1794 N LEU A 113 4.097 0.701 9.993 1.00 0.00 N ATOM 1795 CA LEU A 113 3.284 1.797 9.474 1.00 0.00 C ATOM 1796 C LEU A 113 4.029 3.121 9.594 1.00 0.00 C ATOM 1797 O LEU A 113 3.830 4.038 8.793 1.00 0.00 O ATOM 1798 CB LEU A 113 1.929 1.875 10.190 1.00 0.00 C ATOM 1799 CG LEU A 113 1.060 3.076 9.809 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.673 3.012 8.342 1.00 0.00 C ATOM 1801 CD2 LEU A 113 -0.182 3.129 10.678 1.00 0.00 C ATOM 0 H LEU A 113 3.898 0.439 10.958 1.00 0.00 H new ATOM 0 HA LEU A 113 3.093 1.599 8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.372 0.962 9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.105 1.901 11.265 1.00 0.00 H new ATOM 0 HG LEU A 113 1.640 3.984 9.974 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.055 3.874 8.091 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.573 3.019 7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.112 2.097 8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.789 3.989 10.394 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.761 2.216 10.541 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.110 3.221 11.724 1.00 0.00 H new ATOM 1813 N SER A 114 4.911 3.209 10.580 1.00 0.00 N ATOM 1814 CA SER A 114 5.686 4.423 10.799 1.00 0.00 C ATOM 1815 C SER A 114 6.641 4.654 9.630 1.00 0.00 C ATOM 1816 O SER A 114 6.922 5.797 9.259 1.00 0.00 O ATOM 1817 CB SER A 114 6.461 4.336 12.119 1.00 0.00 C ATOM 1818 OG SER A 114 7.068 5.575 12.439 1.00 0.00 O ATOM 0 H SER A 114 5.108 2.456 11.240 1.00 0.00 H new ATOM 0 HA SER A 114 5.001 5.268 10.862 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.785 4.041 12.922 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.225 3.562 12.045 1.00 0.00 H new ATOM 0 HG SER A 114 7.554 5.492 13.286 1.00 0.00 H new ATOM 1824 N LEU A 115 7.114 3.562 9.036 1.00 0.00 N ATOM 1825 CA LEU A 115 7.978 3.639 7.867 1.00 0.00 C ATOM 1826 C LEU A 115 7.192 4.147 6.667 1.00 0.00 C ATOM 1827 O LEU A 115 7.716 4.870 5.826 1.00 0.00 O ATOM 1828 CB LEU A 115 8.572 2.267 7.550 1.00 0.00 C ATOM 1829 CG LEU A 115 9.519 2.234 6.351 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.712 3.135 6.600 1.00 0.00 C ATOM 1831 CD2 LEU A 115 9.976 0.812 6.069 1.00 0.00 C ATOM 0 H LEU A 115 6.912 2.612 9.348 1.00 0.00 H new ATOM 0 HA LEU A 115 8.790 4.333 8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.109 1.909 8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.756 1.568 7.369 1.00 0.00 H new ATOM 0 HG LEU A 115 8.982 2.600 5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.379 3.102 5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.369 4.158 6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.247 2.793 7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.649 0.809 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.497 0.418 6.941 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.109 0.188 5.851 1.00 0.00 H new ATOM 1843 N ILE A 116 5.922 3.771 6.609 1.00 0.00 N ATOM 1844 CA ILE A 116 5.046 4.189 5.528 1.00 0.00 C ATOM 1845 C ILE A 116 4.809 5.695 5.594 1.00 0.00 C ATOM 1846 O ILE A 116 4.816 6.388 4.575 1.00 0.00 O ATOM 1847 CB ILE A 116 3.696 3.441 5.584 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.917 1.934 5.420 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.746 3.964 4.517 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.642 1.121 5.471 1.00 0.00 C ATOM 0 H ILE A 116 5.475 3.173 7.304 1.00 0.00 H new ATOM 0 HA ILE A 116 5.534 3.943 4.585 1.00 0.00 H new ATOM 0 HB ILE A 116 3.242 3.621 6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.416 1.751 4.468 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.590 1.587 6.205 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.801 3.423 4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.566 5.027 4.679 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.189 3.817 3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.879 0.064 5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.152 1.273 6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.975 1.439 4.669 1.00 0.00 H new ATOM 1862 N LYS A 117 4.627 6.197 6.808 1.00 0.00 N ATOM 1863 CA LYS A 117 4.449 7.624 7.032 1.00 0.00 C ATOM 1864 C LYS A 117 5.727 8.383 6.687 1.00 0.00 C ATOM 1865 O LYS A 117 5.681 9.508 6.190 1.00 0.00 O ATOM 1866 CB LYS A 117 4.049 7.886 8.485 1.00 0.00 C ATOM 1867 CG LYS A 117 2.643 7.402 8.815 1.00 0.00 C ATOM 1868 CD LYS A 117 2.286 7.625 10.280 1.00 0.00 C ATOM 1869 CE LYS A 117 0.855 7.198 10.577 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.524 7.322 12.019 1.00 0.00 N ATOM 0 H LYS A 117 4.599 5.633 7.657 1.00 0.00 H new ATOM 0 HA LYS A 117 3.651 7.980 6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.761 7.392 9.146 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.115 8.955 8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.924 7.924 8.184 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.562 6.341 8.581 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.973 7.063 10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.412 8.678 10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.166 7.809 9.993 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.712 6.165 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.459 7.021 12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.164 6.720 12.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.635 8.312 12.317 1.00 0.00 H new ATOM 1884 N ALA A 118 6.864 7.753 6.952 1.00 0.00 N ATOM 1885 CA ALA A 118 8.166 8.332 6.639 1.00 0.00 C ATOM 1886 C ALA A 118 8.451 8.285 5.142 1.00 0.00 C ATOM 1887 O ALA A 118 9.144 9.149 4.602 1.00 0.00 O ATOM 1888 CB ALA A 118 9.247 7.591 7.395 1.00 0.00 C ATOM 0 H ALA A 118 6.911 6.832 7.387 1.00 0.00 H new ATOM 0 HA ALA A 118 8.156 9.378 6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.219 8.025 7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.063 7.673 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.239 6.540 7.105 1.00 0.00 H new ATOM 1894 N SER A 119 7.919 7.264 4.488 1.00 0.00 N ATOM 1895 CA SER A 119 8.108 7.059 3.058 1.00 0.00 C ATOM 1896 C SER A 119 7.594 8.250 2.243 1.00 0.00 C ATOM 1897 O SER A 119 8.232 8.675 1.278 1.00 0.00 O ATOM 1898 CB SER A 119 7.391 5.777 2.628 1.00 0.00 C ATOM 1899 OG SER A 119 7.610 5.494 1.261 1.00 0.00 O ATOM 0 H SER A 119 7.342 6.551 4.934 1.00 0.00 H new ATOM 0 HA SER A 119 9.177 6.967 2.865 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.742 4.942 3.234 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.322 5.878 2.813 1.00 0.00 H new ATOM 0 HG SER A 119 6.835 5.017 0.898 1.00 0.00 H new ATOM 1905 N ILE A 120 6.446 8.784 2.637 1.00 0.00 N ATOM 1906 CA ILE A 120 5.848 9.918 1.940 1.00 0.00 C ATOM 1907 C ILE A 120 6.278 11.239 2.569 1.00 0.00 C ATOM 1908 O ILE A 120 5.855 12.315 2.143 1.00 0.00 O ATOM 1909 CB ILE A 120 4.310 9.836 1.952 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.797 9.681 3.384 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.837 8.682 1.085 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.298 9.822 3.508 1.00 0.00 C ATOM 0 H ILE A 120 5.908 8.450 3.437 1.00 0.00 H new ATOM 0 HA ILE A 120 6.200 9.877 0.909 1.00 0.00 H new ATOM 0 HB ILE A 120 3.907 10.762 1.542 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.094 8.703 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.277 10.428 4.016 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.748 8.636 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.177 8.833 0.061 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.246 7.747 1.469 1.00 0.00 H new ATOM 0 HD11 ILE A 120 2.006 9.700 4.551 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.995 10.809 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.809 9.058 2.903 1.00 0.00 H new ATOM 1924 N LYS A 121 7.107 11.145 3.596 1.00 0.00 N ATOM 1925 CA LYS A 121 7.576 12.311 4.318 1.00 0.00 C ATOM 1926 C LYS A 121 8.879 12.832 3.721 1.00 0.00 C ATOM 1927 O LYS A 121 9.820 12.067 3.495 1.00 0.00 O ATOM 1928 CB LYS A 121 7.770 11.954 5.787 1.00 0.00 C ATOM 1929 CG LYS A 121 8.068 13.142 6.682 1.00 0.00 C ATOM 1930 CD LYS A 121 8.150 12.722 8.138 1.00 0.00 C ATOM 1931 CE LYS A 121 8.249 13.926 9.058 1.00 0.00 C ATOM 1932 NZ LYS A 121 8.410 13.526 10.480 1.00 0.00 N ATOM 0 H LYS A 121 7.471 10.260 3.950 1.00 0.00 H new ATOM 0 HA LYS A 121 6.830 13.101 4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.871 11.456 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.587 11.237 5.870 1.00 0.00 H new ATOM 0 HG2 LYS A 121 9.009 13.602 6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 121 7.291 13.896 6.561 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.270 12.135 8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 121 9.017 12.078 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.095 14.544 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.353 14.538 8.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 8.474 14.377 11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 7.591 12.957 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.278 12.963 10.586 1.00 0.00 H new