USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1077 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 76 TYR OH : rot 180:sc= 0.925 USER MOD Set 1.2: A 103 HIS : no HE2:sc= -1.13 K(o=-1.4,f=-15!) USER MOD Set 1.3: A 104 CYS SG : rot -3:sc= 0.0776 USER MOD Set 1.4: A 107 ASN :FLIP amide:sc= -1.23 F(o=-4.9!,f=-1.4) USER MOD Set 2.1: A 100 MET CE :methyl -124:sc= -0.846 (180deg=-0.256) USER MOD Set 2.2: A 114 MET CE :methyl -117:sc= -0.284 (180deg=-3.53!) USER MOD Set 3.1: A 90 TYR OH : rot -91:sc= 0.486 USER MOD Set 3.2: A 128 ASN :FLIP amide:sc= 0.455 F(o=-0.4,f=0.94) USER MOD Set 4.1: A 89 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 92 ASN : amide:sc= -0.0365 X(o=-0.037,f=-0.29) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -142:sc= 0.302 USER MOD Single : A 29 HIS : no HD1:sc= -7.8! C(o=-7.8!,f=-8.1!) USER MOD Single : A 30 CYS SG : rot 23:sc= 0.247 USER MOD Single : A 32 SER OG : rot -130:sc= 0.289 USER MOD Single : A 35 CYS SG : rot -11:sc= -0.344 USER MOD Single : A 37 MET CE :methyl -116:sc=-0.00674 (180deg=-0.956) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= -1.04 (180deg=-2.29!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -3.32! C(o=-3.3!,f=-5.1!) USER MOD Single : A 58 GLN : amide:sc= 0.177 K(o=0.18,f=-6.1!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -105:sc= 0.0866 USER MOD Single : A 69 LYS NZ :NH3+ 148:sc= -1.57! (180deg=-3.39!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 THR OG1 : rot -170:sc= -0.0366 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 87 LYS NZ :NH3+ 139:sc= 0.919 (180deg=0.43) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 95 LYS NZ :NH3+ -166:sc=-0.00387 (180deg=-0.0959) USER MOD Single : A 96 SER OG : rot -128:sc= 0.495 USER MOD Single : A 101 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00637) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 56:sc= 0.252 USER MOD Single : A 113 SER OG : rot 13:sc= 0.0594 USER MOD Single : A 125 GLN : amide:sc= -0.087 K(o=-0.087,f=-1.9!) USER MOD Single : A 130 SER OG : rot -74:sc= 0.474 USER MOD Single : A 132 MET CE :methyl 146:sc= -2.83! (180deg=-6.69!) USER MOD Single : A 140 THR OG1 : rot -20:sc= -0.958 USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 THR OG1 : rot 34:sc= 0.597 USER MOD ----------------------------------------------------------------- ATOM 108 N ILE A 11 11.536 -4.098 5.261 1.00 0.00 N ATOM 109 CA ILE A 11 11.531 -2.947 4.367 1.00 0.00 C ATOM 110 C ILE A 11 12.936 -2.639 3.859 1.00 0.00 C ATOM 111 O ILE A 11 13.882 -2.537 4.640 1.00 0.00 O ATOM 112 CB ILE A 11 10.964 -1.696 5.063 1.00 0.00 C ATOM 113 CG1 ILE A 11 9.547 -1.967 5.572 1.00 0.00 C ATOM 114 CG2 ILE A 11 10.972 -0.510 4.110 1.00 0.00 C ATOM 115 CD1 ILE A 11 9.094 -1.000 6.643 1.00 0.00 C ATOM 0 HA ILE A 11 10.891 -3.206 3.524 1.00 0.00 H new ATOM 0 HB ILE A 11 11.597 -1.455 5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.853 -1.918 4.733 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.499 -2.982 5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.568 0.367 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 11 11.994 -0.306 3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.359 -0.740 3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.081 -1.252 6.956 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.765 -1.065 7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.109 0.015 6.246 1.00 0.00 H new ATOM 127 N THR A 12 13.064 -2.491 2.544 1.00 0.00 N ATOM 128 CA THR A 12 14.353 -2.194 1.931 1.00 0.00 C ATOM 129 C THR A 12 14.233 -1.058 0.922 1.00 0.00 C ATOM 130 O THR A 12 13.261 -0.983 0.169 1.00 0.00 O ATOM 131 CB THR A 12 14.938 -3.432 1.225 1.00 0.00 C ATOM 132 OG1 THR A 12 15.119 -4.494 2.169 1.00 0.00 O ATOM 133 CG2 THR A 12 16.268 -3.101 0.566 1.00 0.00 C ATOM 0 H THR A 12 12.291 -2.572 1.883 1.00 0.00 H new ATOM 0 HA THR A 12 15.024 -1.893 2.736 1.00 0.00 H new ATOM 0 HB THR A 12 14.237 -3.748 0.453 1.00 0.00 H new ATOM 0 HG1 THR A 12 15.490 -5.278 1.712 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.662 -3.990 0.074 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.122 -2.313 -0.172 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.975 -2.762 1.323 1.00 0.00 H new ATOM 141 N TYR A 13 15.226 -0.176 0.910 1.00 0.00 N ATOM 142 CA TYR A 13 15.230 0.958 -0.006 1.00 0.00 C ATOM 143 C TYR A 13 16.031 0.639 -1.265 1.00 0.00 C ATOM 144 O TYR A 13 17.115 0.059 -1.195 1.00 0.00 O ATOM 145 CB TYR A 13 15.812 2.194 0.682 1.00 0.00 C ATOM 146 CG TYR A 13 15.242 2.445 2.060 1.00 0.00 C ATOM 147 CD1 TYR A 13 13.910 2.801 2.228 1.00 0.00 C ATOM 148 CD2 TYR A 13 16.037 2.326 3.194 1.00 0.00 C ATOM 149 CE1 TYR A 13 13.385 3.031 3.485 1.00 0.00 C ATOM 150 CE2 TYR A 13 15.520 2.553 4.455 1.00 0.00 C ATOM 151 CZ TYR A 13 14.194 2.906 4.596 1.00 0.00 C ATOM 152 OH TYR A 13 13.677 3.134 5.850 1.00 0.00 O ATOM 0 H TYR A 13 16.039 -0.225 1.524 1.00 0.00 H new ATOM 0 HA TYR A 13 14.199 1.162 -0.295 1.00 0.00 H new ATOM 0 HB2 TYR A 13 16.893 2.080 0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 13 15.628 3.068 0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.274 2.900 1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 13 17.076 2.052 3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.347 3.307 3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 13 16.151 2.455 5.326 1.00 0.00 H new ATOM 0 HH TYR A 13 14.378 3.002 6.522 1.00 0.00 H new ATOM 162 N VAL A 14 15.489 1.022 -2.416 1.00 0.00 N ATOM 163 CA VAL A 14 16.152 0.779 -3.692 1.00 0.00 C ATOM 164 C VAL A 14 16.198 2.047 -4.537 1.00 0.00 C ATOM 165 O VAL A 14 15.309 2.895 -4.455 1.00 0.00 O ATOM 166 CB VAL A 14 15.444 -0.332 -4.490 1.00 0.00 C ATOM 167 CG1 VAL A 14 16.035 -0.445 -5.887 1.00 0.00 C ATOM 168 CG2 VAL A 14 15.538 -1.659 -3.753 1.00 0.00 C ATOM 0 H VAL A 14 14.592 1.502 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 14 17.169 0.460 -3.465 1.00 0.00 H new ATOM 0 HB VAL A 14 14.390 -0.071 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 14 15.522 -1.235 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 14 15.910 0.502 -6.412 1.00 0.00 H new ATOM 0 HG13 VAL A 14 17.096 -0.683 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 14 15.033 -2.433 -4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 14 16.586 -1.929 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 14 15.063 -1.567 -2.776 1.00 0.00 H new ATOM 178 N LYS A 15 17.241 2.170 -5.352 1.00 0.00 N ATOM 179 CA LYS A 15 17.404 3.333 -6.216 1.00 0.00 C ATOM 180 C LYS A 15 17.155 2.966 -7.675 1.00 0.00 C ATOM 181 O LYS A 15 17.751 2.027 -8.200 1.00 0.00 O ATOM 182 CB LYS A 15 18.809 3.918 -6.059 1.00 0.00 C ATOM 183 CG LYS A 15 19.070 5.123 -6.946 1.00 0.00 C ATOM 184 CD LYS A 15 20.068 6.077 -6.312 1.00 0.00 C ATOM 185 CE LYS A 15 21.500 5.623 -6.549 1.00 0.00 C ATOM 186 NZ LYS A 15 22.485 6.537 -5.908 1.00 0.00 N ATOM 0 H LYS A 15 17.986 1.478 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 15 16.670 4.082 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.960 4.204 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.543 3.145 -6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.448 4.789 -7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.133 5.647 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.929 7.077 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.879 6.144 -5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.631 4.615 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.693 5.575 -7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.449 6.193 -6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.378 7.494 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.317 6.563 -4.882 1.00 0.00 H new ATOM 200 N GLY A 16 16.270 3.716 -8.327 1.00 0.00 N ATOM 201 CA GLY A 16 15.959 3.454 -9.720 1.00 0.00 C ATOM 202 C GLY A 16 14.468 3.345 -9.971 1.00 0.00 C ATOM 203 O GLY A 16 13.665 3.495 -9.050 1.00 0.00 O ATOM 0 H GLY A 16 15.764 4.500 -7.915 1.00 0.00 H new ATOM 0 HA2 GLY A 16 16.371 4.252 -10.337 1.00 0.00 H new ATOM 0 HA3 GLY A 16 16.445 2.529 -10.030 1.00 0.00 H new ATOM 207 N ASP A 17 14.097 3.085 -11.219 1.00 0.00 N ATOM 208 CA ASP A 17 12.693 2.956 -11.589 1.00 0.00 C ATOM 209 C ASP A 17 11.910 2.226 -10.502 1.00 0.00 C ATOM 210 O ASP A 17 12.483 1.492 -9.696 1.00 0.00 O ATOM 211 CB ASP A 17 12.559 2.212 -12.918 1.00 0.00 C ATOM 212 CG ASP A 17 13.648 2.587 -13.904 1.00 0.00 C ATOM 213 OD1 ASP A 17 13.532 3.657 -14.537 1.00 0.00 O ATOM 214 OD2 ASP A 17 14.616 1.810 -14.043 1.00 0.00 O ATOM 0 H ASP A 17 14.750 2.959 -11.993 1.00 0.00 H new ATOM 0 HA ASP A 17 12.279 3.958 -11.700 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.593 1.138 -12.735 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.585 2.430 -13.356 1.00 0.00 H new ATOM 219 N LEU A 18 10.597 2.433 -10.485 1.00 0.00 N ATOM 220 CA LEU A 18 9.735 1.796 -9.497 1.00 0.00 C ATOM 221 C LEU A 18 8.754 0.839 -10.166 1.00 0.00 C ATOM 222 O LEU A 18 8.321 -0.144 -9.565 1.00 0.00 O ATOM 223 CB LEU A 18 8.970 2.854 -8.700 1.00 0.00 C ATOM 224 CG LEU A 18 7.678 2.385 -8.029 1.00 0.00 C ATOM 225 CD1 LEU A 18 7.956 1.218 -7.094 1.00 0.00 C ATOM 226 CD2 LEU A 18 7.024 3.532 -7.273 1.00 0.00 C ATOM 0 H LEU A 18 10.107 3.037 -11.145 1.00 0.00 H new ATOM 0 HA LEU A 18 10.366 1.224 -8.817 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.633 3.250 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.729 3.680 -9.369 1.00 0.00 H new ATOM 0 HG LEU A 18 6.990 2.047 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.025 0.898 -6.625 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.380 0.390 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.662 1.529 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.106 3.181 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.707 3.900 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.789 4.339 -7.968 1.00 0.00 H new ATOM 238 N PHE A 19 8.409 1.132 -11.416 1.00 0.00 N ATOM 239 CA PHE A 19 7.480 0.297 -12.168 1.00 0.00 C ATOM 240 C PHE A 19 8.202 -0.449 -13.287 1.00 0.00 C ATOM 241 O PHE A 19 7.784 -1.531 -13.696 1.00 0.00 O ATOM 242 CB PHE A 19 6.353 1.150 -12.753 1.00 0.00 C ATOM 243 CG PHE A 19 5.912 2.264 -11.847 1.00 0.00 C ATOM 244 CD1 PHE A 19 5.240 1.989 -10.667 1.00 0.00 C ATOM 245 CD2 PHE A 19 6.169 3.585 -12.175 1.00 0.00 C ATOM 246 CE1 PHE A 19 4.832 3.011 -9.831 1.00 0.00 C ATOM 247 CE2 PHE A 19 5.764 4.612 -11.343 1.00 0.00 C ATOM 248 CZ PHE A 19 5.095 4.325 -10.169 1.00 0.00 C ATOM 0 H PHE A 19 8.759 1.941 -11.929 1.00 0.00 H new ATOM 0 HA PHE A 19 7.053 -0.436 -11.483 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.683 1.573 -13.702 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.498 0.509 -12.970 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.033 0.964 -10.397 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.692 3.815 -13.091 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.308 2.783 -8.914 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.970 5.638 -11.611 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.778 5.125 -9.517 1.00 0.00 H new ATOM 258 N ALA A 20 9.289 0.139 -13.776 1.00 0.00 N ATOM 259 CA ALA A 20 10.070 -0.469 -14.846 1.00 0.00 C ATOM 260 C ALA A 20 11.136 -1.403 -14.284 1.00 0.00 C ATOM 261 O ALA A 20 11.591 -2.322 -14.965 1.00 0.00 O ATOM 262 CB ALA A 20 10.711 0.608 -15.709 1.00 0.00 C ATOM 0 H ALA A 20 9.649 1.035 -13.448 1.00 0.00 H new ATOM 0 HA ALA A 20 9.395 -1.061 -15.464 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.291 0.140 -16.504 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.933 1.234 -16.147 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.368 1.223 -15.095 1.00 0.00 H new ATOM 268 N CYS A 21 11.532 -1.161 -13.039 1.00 0.00 N ATOM 269 CA CYS A 21 12.546 -1.980 -12.386 1.00 0.00 C ATOM 270 C CYS A 21 12.044 -3.405 -12.179 1.00 0.00 C ATOM 271 O CYS A 21 12.686 -4.379 -12.573 1.00 0.00 O ATOM 272 CB CYS A 21 12.940 -1.366 -11.042 1.00 0.00 C ATOM 273 SG CYS A 21 14.710 -1.452 -10.682 1.00 0.00 S ATOM 0 H CYS A 21 11.166 -0.404 -12.462 1.00 0.00 H new ATOM 0 HA CYS A 21 13.422 -2.013 -13.033 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.627 -0.322 -11.026 1.00 0.00 H new ATOM 0 HB3 CYS A 21 12.393 -1.875 -10.248 1.00 0.00 H new ATOM 0 HG CYS A 21 14.945 -0.906 -9.526 1.00 0.00 H new ATOM 279 N PRO A 22 10.869 -3.533 -11.545 1.00 0.00 N ATOM 280 CA PRO A 22 10.255 -4.835 -11.271 1.00 0.00 C ATOM 281 C PRO A 22 9.756 -5.520 -12.539 1.00 0.00 C ATOM 282 O PRO A 22 9.723 -4.916 -13.611 1.00 0.00 O ATOM 283 CB PRO A 22 9.079 -4.487 -10.354 1.00 0.00 C ATOM 284 CG PRO A 22 8.746 -3.073 -10.685 1.00 0.00 C ATOM 285 CD PRO A 22 10.049 -2.415 -11.048 1.00 0.00 C ATOM 0 HA PRO A 22 10.965 -5.535 -10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.229 -5.146 -10.532 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.351 -4.594 -9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.039 -3.022 -11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 22 8.279 -2.573 -9.836 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.913 -1.647 -11.809 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.509 -1.931 -10.186 1.00 0.00 H new ATOM 293 N LYS A 23 9.369 -6.785 -12.409 1.00 0.00 N ATOM 294 CA LYS A 23 8.870 -7.552 -13.544 1.00 0.00 C ATOM 295 C LYS A 23 7.538 -8.215 -13.209 1.00 0.00 C ATOM 296 O LYS A 23 6.656 -8.326 -14.061 1.00 0.00 O ATOM 297 CB LYS A 23 9.891 -8.615 -13.956 1.00 0.00 C ATOM 298 CG LYS A 23 11.037 -8.067 -14.790 1.00 0.00 C ATOM 299 CD LYS A 23 11.628 -9.135 -15.695 1.00 0.00 C ATOM 300 CE LYS A 23 12.655 -9.983 -14.959 1.00 0.00 C ATOM 301 NZ LYS A 23 13.554 -10.706 -15.901 1.00 0.00 N ATOM 0 H LYS A 23 9.392 -7.300 -11.529 1.00 0.00 H new ATOM 0 HA LYS A 23 8.715 -6.864 -14.375 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.297 -9.084 -13.060 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.382 -9.396 -14.521 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.682 -7.232 -15.394 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.813 -7.676 -14.132 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.831 -9.774 -16.074 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.096 -8.663 -16.559 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.251 -9.346 -14.305 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.142 -10.703 -14.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.239 -11.272 -15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.989 -11.333 -16.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.063 -10.018 -16.492 1.00 0.00 H new ATOM 315 N THR A 24 7.397 -8.654 -11.962 1.00 0.00 N ATOM 316 CA THR A 24 6.173 -9.305 -11.515 1.00 0.00 C ATOM 317 C THR A 24 5.619 -8.634 -10.263 1.00 0.00 C ATOM 318 O THR A 24 4.417 -8.685 -10.001 1.00 0.00 O ATOM 319 CB THR A 24 6.406 -10.799 -11.222 1.00 0.00 C ATOM 320 OG1 THR A 24 7.519 -10.957 -10.336 1.00 0.00 O ATOM 321 CG2 THR A 24 6.662 -11.569 -12.509 1.00 0.00 C ATOM 0 H THR A 24 8.116 -8.570 -11.244 1.00 0.00 H new ATOM 0 HA THR A 24 5.450 -9.210 -12.325 1.00 0.00 H new ATOM 0 HB THR A 24 5.508 -11.199 -10.751 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.659 -11.910 -10.154 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.824 -12.622 -12.277 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.800 -11.471 -13.169 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.546 -11.167 -13.004 1.00 0.00 H new ATOM 329 N ASP A 25 6.501 -8.006 -9.495 1.00 0.00 N ATOM 330 CA ASP A 25 6.100 -7.323 -8.271 1.00 0.00 C ATOM 331 C ASP A 25 4.914 -6.398 -8.528 1.00 0.00 C ATOM 332 O ASP A 25 4.672 -5.984 -9.662 1.00 0.00 O ATOM 333 CB ASP A 25 7.272 -6.523 -7.700 1.00 0.00 C ATOM 334 CG ASP A 25 8.467 -7.398 -7.375 1.00 0.00 C ATOM 335 OD1 ASP A 25 8.557 -8.511 -7.935 1.00 0.00 O ATOM 336 OD2 ASP A 25 9.312 -6.970 -6.562 1.00 0.00 O ATOM 0 H ASP A 25 7.499 -7.955 -9.698 1.00 0.00 H new ATOM 0 HA ASP A 25 5.798 -8.078 -7.545 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.570 -5.758 -8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.949 -6.005 -6.797 1.00 0.00 H new ATOM 341 N SER A 26 4.178 -6.078 -7.469 1.00 0.00 N ATOM 342 CA SER A 26 3.015 -5.206 -7.581 1.00 0.00 C ATOM 343 C SER A 26 3.277 -3.862 -6.908 1.00 0.00 C ATOM 344 O SER A 26 4.300 -3.673 -6.248 1.00 0.00 O ATOM 345 CB SER A 26 1.789 -5.873 -6.954 1.00 0.00 C ATOM 346 OG SER A 26 1.233 -6.841 -7.827 1.00 0.00 O ATOM 0 H SER A 26 4.367 -6.410 -6.523 1.00 0.00 H new ATOM 0 HA SER A 26 2.823 -5.031 -8.640 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.070 -6.346 -6.013 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.040 -5.117 -6.720 1.00 0.00 H new ATOM 0 HG SER A 26 0.256 -6.820 -7.759 1.00 0.00 H new ATOM 352 N LEU A 27 2.345 -2.931 -7.079 1.00 0.00 N ATOM 353 CA LEU A 27 2.473 -1.603 -6.489 1.00 0.00 C ATOM 354 C LEU A 27 1.444 -1.397 -5.382 1.00 0.00 C ATOM 355 O LEU A 27 0.380 -2.015 -5.388 1.00 0.00 O ATOM 356 CB LEU A 27 2.305 -0.527 -7.564 1.00 0.00 C ATOM 357 CG LEU A 27 3.124 -0.719 -8.840 1.00 0.00 C ATOM 358 CD1 LEU A 27 2.704 0.286 -9.901 1.00 0.00 C ATOM 359 CD2 LEU A 27 4.612 -0.594 -8.543 1.00 0.00 C ATOM 0 H LEU A 27 1.493 -3.071 -7.621 1.00 0.00 H new ATOM 0 HA LEU A 27 3.469 -1.521 -6.054 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.251 -0.476 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.568 0.437 -7.129 1.00 0.00 H new ATOM 0 HG LEU A 27 2.933 -1.721 -9.223 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.298 0.134 -10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.648 0.148 -10.135 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.864 1.297 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.180 -0.734 -9.463 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.820 0.395 -8.135 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.903 -1.354 -7.818 1.00 0.00 H new ATOM 371 N ALA A 28 1.768 -0.523 -4.435 1.00 0.00 N ATOM 372 CA ALA A 28 0.870 -0.233 -3.324 1.00 0.00 C ATOM 373 C ALA A 28 1.089 1.181 -2.797 1.00 0.00 C ATOM 374 O ALA A 28 2.224 1.602 -2.571 1.00 0.00 O ATOM 375 CB ALA A 28 1.064 -1.250 -2.209 1.00 0.00 C ATOM 0 H ALA A 28 2.646 -0.003 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.155 -0.302 -3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.387 -1.021 -1.386 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.850 -2.250 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.094 -1.209 -1.854 1.00 0.00 H new ATOM 381 N HIS A 29 -0.005 1.911 -2.603 1.00 0.00 N ATOM 382 CA HIS A 29 0.067 3.279 -2.102 1.00 0.00 C ATOM 383 C HIS A 29 -1.274 3.716 -1.520 1.00 0.00 C ATOM 384 O HIS A 29 -2.263 2.987 -1.599 1.00 0.00 O ATOM 385 CB HIS A 29 0.486 4.233 -3.221 1.00 0.00 C ATOM 386 CG HIS A 29 -0.624 4.568 -4.169 1.00 0.00 C ATOM 387 ND1 HIS A 29 -0.727 5.787 -4.806 1.00 0.00 N ATOM 388 CD2 HIS A 29 -1.682 3.835 -4.588 1.00 0.00 C ATOM 389 CE1 HIS A 29 -1.801 5.790 -5.575 1.00 0.00 C ATOM 390 NE2 HIS A 29 -2.398 4.617 -5.461 1.00 0.00 N ATOM 0 H HIS A 29 -0.952 1.578 -2.785 1.00 0.00 H new ATOM 0 HA HIS A 29 0.814 3.310 -1.309 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.866 5.154 -2.779 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.308 3.786 -3.780 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.919 2.824 -4.291 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.134 6.611 -6.192 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.252 4.337 -5.943 1.00 0.00 H new ATOM 398 N CYS A 30 -1.299 4.909 -0.937 1.00 0.00 N ATOM 399 CA CYS A 30 -2.518 5.443 -0.341 1.00 0.00 C ATOM 400 C CYS A 30 -3.146 6.503 -1.241 1.00 0.00 C ATOM 401 O CYS A 30 -2.455 7.383 -1.754 1.00 0.00 O ATOM 402 CB CYS A 30 -2.219 6.039 1.036 1.00 0.00 C ATOM 403 SG CYS A 30 -1.138 7.487 0.995 1.00 0.00 S ATOM 0 H CYS A 30 -0.489 5.525 -0.864 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.226 4.622 -0.228 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.160 6.315 1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.758 5.273 1.659 1.00 0.00 H new ATOM 0 HG CYS A 30 -1.192 8.035 -0.182 1.00 0.00 H new ATOM 409 N ILE A 31 -4.457 6.410 -1.430 1.00 0.00 N ATOM 410 CA ILE A 31 -5.177 7.360 -2.269 1.00 0.00 C ATOM 411 C ILE A 31 -6.485 7.791 -1.614 1.00 0.00 C ATOM 412 O ILE A 31 -6.775 7.417 -0.478 1.00 0.00 O ATOM 413 CB ILE A 31 -5.482 6.766 -3.657 1.00 0.00 C ATOM 414 CG1 ILE A 31 -6.457 5.593 -3.531 1.00 0.00 C ATOM 415 CG2 ILE A 31 -4.196 6.323 -4.338 1.00 0.00 C ATOM 416 CD1 ILE A 31 -7.268 5.344 -4.784 1.00 0.00 C ATOM 0 H ILE A 31 -5.043 5.686 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.530 8.229 -2.389 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.948 7.536 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.897 4.691 -3.285 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.136 5.783 -2.700 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.428 5.905 -5.318 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.533 7.180 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.704 5.565 -3.728 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.937 4.499 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -7.855 6.232 -5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.597 5.122 -5.614 1.00 0.00 H new ATOM 428 N SER A 32 -7.272 8.579 -2.339 1.00 0.00 N ATOM 429 CA SER A 32 -8.549 9.064 -1.828 1.00 0.00 C ATOM 430 C SER A 32 -9.697 8.184 -2.313 1.00 0.00 C ATOM 431 O SER A 32 -9.517 7.337 -3.188 1.00 0.00 O ATOM 432 CB SER A 32 -8.781 10.511 -2.265 1.00 0.00 C ATOM 433 OG SER A 32 -8.451 10.691 -3.632 1.00 0.00 O ATOM 0 H SER A 32 -7.048 8.895 -3.282 1.00 0.00 H new ATOM 0 HA SER A 32 -8.516 9.022 -0.739 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.824 10.781 -2.101 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.178 11.180 -1.651 1.00 0.00 H new ATOM 0 HG SER A 32 -7.862 11.468 -3.727 1.00 0.00 H new ATOM 439 N GLU A 33 -10.877 8.391 -1.738 1.00 0.00 N ATOM 440 CA GLU A 33 -12.055 7.616 -2.111 1.00 0.00 C ATOM 441 C GLU A 33 -12.520 7.977 -3.518 1.00 0.00 C ATOM 442 O GLU A 33 -13.067 7.140 -4.236 1.00 0.00 O ATOM 443 CB GLU A 33 -13.188 7.856 -1.110 1.00 0.00 C ATOM 444 CG GLU A 33 -13.017 7.098 0.196 1.00 0.00 C ATOM 445 CD GLU A 33 -14.332 6.870 0.914 1.00 0.00 C ATOM 446 OE1 GLU A 33 -15.377 7.317 0.395 1.00 0.00 O ATOM 447 OE2 GLU A 33 -14.318 6.245 1.995 1.00 0.00 O ATOM 0 H GLU A 33 -11.043 9.088 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.784 6.560 -2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -13.252 8.923 -0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.134 7.566 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.546 6.136 -0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.343 7.653 0.848 1.00 0.00 H new ATOM 454 N ASP A 34 -12.299 9.228 -3.906 1.00 0.00 N ATOM 455 CA ASP A 34 -12.694 9.701 -5.228 1.00 0.00 C ATOM 456 C ASP A 34 -11.554 9.534 -6.228 1.00 0.00 C ATOM 457 O ASP A 34 -11.471 10.265 -7.216 1.00 0.00 O ATOM 458 CB ASP A 34 -13.121 11.168 -5.162 1.00 0.00 C ATOM 459 CG ASP A 34 -13.937 11.588 -6.368 1.00 0.00 C ATOM 460 OD1 ASP A 34 -15.098 11.143 -6.485 1.00 0.00 O ATOM 461 OD2 ASP A 34 -13.414 12.364 -7.196 1.00 0.00 O ATOM 0 H ASP A 34 -11.848 9.934 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.539 9.100 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.705 11.333 -4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.235 11.798 -5.089 1.00 0.00 H new ATOM 466 N CYS A 35 -10.679 8.570 -5.964 1.00 0.00 N ATOM 467 CA CYS A 35 -9.543 8.309 -6.840 1.00 0.00 C ATOM 468 C CYS A 35 -8.931 9.614 -7.341 1.00 0.00 C ATOM 469 O CYS A 35 -8.462 9.696 -8.476 1.00 0.00 O ATOM 470 CB CYS A 35 -9.975 7.446 -8.027 1.00 0.00 C ATOM 471 SG CYS A 35 -11.152 8.253 -9.137 1.00 0.00 S ATOM 0 H CYS A 35 -10.735 7.957 -5.151 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.789 7.772 -6.265 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -9.090 7.162 -8.597 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -10.420 6.525 -7.650 1.00 0.00 H new ATOM 0 HG CYS A 35 -11.596 9.341 -8.581 1.00 0.00 H new ATOM 477 N ARG A 36 -8.940 10.631 -6.486 1.00 0.00 N ATOM 478 CA ARG A 36 -8.388 11.933 -6.842 1.00 0.00 C ATOM 479 C ARG A 36 -6.888 11.981 -6.569 1.00 0.00 C ATOM 480 O ARG A 36 -6.440 12.616 -5.615 1.00 0.00 O ATOM 481 CB ARG A 36 -9.095 13.041 -6.060 1.00 0.00 C ATOM 482 CG ARG A 36 -10.505 13.328 -6.550 1.00 0.00 C ATOM 483 CD ARG A 36 -10.511 14.389 -7.639 1.00 0.00 C ATOM 484 NE ARG A 36 -9.983 13.880 -8.902 1.00 0.00 N ATOM 485 CZ ARG A 36 -8.719 14.027 -9.283 1.00 0.00 C ATOM 486 NH1 ARG A 36 -7.858 14.665 -8.502 1.00 0.00 N ATOM 487 NH2 ARG A 36 -8.314 13.535 -10.447 1.00 0.00 N ATOM 0 H ARG A 36 -9.323 10.579 -5.542 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.551 12.089 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.135 12.762 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.504 13.954 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.952 12.410 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.121 13.659 -5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.529 14.748 -7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.917 15.244 -7.316 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.620 13.384 -9.526 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.166 15.044 -7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.888 14.777 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.974 13.043 -11.050 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.343 13.648 -10.739 1.00 0.00 H new ATOM 501 N MET A 37 -6.116 11.304 -7.414 1.00 0.00 N ATOM 502 CA MET A 37 -4.666 11.271 -7.264 1.00 0.00 C ATOM 503 C MET A 37 -4.016 12.435 -8.004 1.00 0.00 C ATOM 504 O MET A 37 -3.525 12.277 -9.121 1.00 0.00 O ATOM 505 CB MET A 37 -4.109 9.945 -7.786 1.00 0.00 C ATOM 506 CG MET A 37 -4.562 8.737 -6.983 1.00 0.00 C ATOM 507 SD MET A 37 -6.286 8.307 -7.288 1.00 0.00 S ATOM 508 CE MET A 37 -6.169 7.576 -8.920 1.00 0.00 C ATOM 0 H MET A 37 -6.470 10.772 -8.209 1.00 0.00 H new ATOM 0 HA MET A 37 -4.433 11.363 -6.203 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.414 9.816 -8.824 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.020 9.989 -7.777 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.930 7.884 -7.229 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.425 8.939 -5.921 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.729 8.183 -9.632 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.123 7.532 -9.225 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.584 6.568 -8.898 1.00 0.00 H new ATOM 518 N GLY A 38 -4.015 13.606 -7.373 1.00 0.00 N ATOM 519 CA GLY A 38 -3.423 14.779 -7.987 1.00 0.00 C ATOM 520 C GLY A 38 -2.374 15.428 -7.105 1.00 0.00 C ATOM 521 O GLY A 38 -2.304 16.653 -7.012 1.00 0.00 O ATOM 0 H GLY A 38 -4.414 13.762 -6.447 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.970 14.498 -8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.206 15.504 -8.208 1.00 0.00 H new ATOM 525 N ALA A 39 -1.558 14.604 -6.456 1.00 0.00 N ATOM 526 CA ALA A 39 -0.508 15.105 -5.578 1.00 0.00 C ATOM 527 C ALA A 39 0.569 14.049 -5.352 1.00 0.00 C ATOM 528 O ALA A 39 0.275 12.927 -4.942 1.00 0.00 O ATOM 529 CB ALA A 39 -1.099 15.552 -4.249 1.00 0.00 C ATOM 0 H ALA A 39 -1.604 13.587 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.043 15.963 -6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.303 15.924 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.826 16.345 -4.423 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.592 14.707 -3.768 1.00 0.00 H new ATOM 535 N GLY A 40 1.818 14.416 -5.622 1.00 0.00 N ATOM 536 CA GLY A 40 2.919 13.488 -5.443 1.00 0.00 C ATOM 537 C GLY A 40 2.910 12.372 -6.469 1.00 0.00 C ATOM 538 O GLY A 40 2.277 12.491 -7.519 1.00 0.00 O ATOM 0 H GLY A 40 2.087 15.339 -5.962 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.862 14.031 -5.510 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.869 13.058 -4.443 1.00 0.00 H new ATOM 542 N ILE A 41 3.615 11.287 -6.168 1.00 0.00 N ATOM 543 CA ILE A 41 3.686 10.147 -7.072 1.00 0.00 C ATOM 544 C ILE A 41 2.294 9.623 -7.407 1.00 0.00 C ATOM 545 O ILE A 41 2.048 9.148 -8.515 1.00 0.00 O ATOM 546 CB ILE A 41 4.522 9.002 -6.471 1.00 0.00 C ATOM 547 CG1 ILE A 41 4.670 7.863 -7.482 1.00 0.00 C ATOM 548 CG2 ILE A 41 3.881 8.497 -5.187 1.00 0.00 C ATOM 549 CD1 ILE A 41 5.959 7.086 -7.332 1.00 0.00 C ATOM 0 H ILE A 41 4.145 11.174 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 41 4.169 10.498 -7.984 1.00 0.00 H new ATOM 0 HB ILE A 41 5.515 9.383 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.828 7.179 -7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.618 8.274 -8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.483 7.688 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.823 9.311 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.877 8.130 -5.401 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.996 6.295 -8.081 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.807 7.757 -7.471 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.004 6.645 -6.336 1.00 0.00 H new ATOM 561 N ALA A 42 1.385 9.715 -6.442 1.00 0.00 N ATOM 562 CA ALA A 42 0.016 9.255 -6.635 1.00 0.00 C ATOM 563 C ALA A 42 -0.464 9.537 -8.054 1.00 0.00 C ATOM 564 O ALA A 42 -1.303 8.816 -8.592 1.00 0.00 O ATOM 565 CB ALA A 42 -0.910 9.912 -5.622 1.00 0.00 C ATOM 0 H ALA A 42 1.573 10.104 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.003 8.176 -6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.929 9.559 -5.778 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.587 9.654 -4.613 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.878 10.994 -5.748 1.00 0.00 H new ATOM 571 N VAL A 43 0.075 10.593 -8.656 1.00 0.00 N ATOM 572 CA VAL A 43 -0.298 10.972 -10.014 1.00 0.00 C ATOM 573 C VAL A 43 0.145 9.915 -11.020 1.00 0.00 C ATOM 574 O VAL A 43 -0.672 9.364 -11.759 1.00 0.00 O ATOM 575 CB VAL A 43 0.315 12.329 -10.407 1.00 0.00 C ATOM 576 CG1 VAL A 43 0.043 12.634 -11.872 1.00 0.00 C ATOM 577 CG2 VAL A 43 -0.224 13.436 -9.514 1.00 0.00 C ATOM 0 H VAL A 43 0.771 11.201 -8.225 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.385 11.055 -10.033 1.00 0.00 H new ATOM 0 HB VAL A 43 1.395 12.274 -10.267 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.484 13.597 -12.131 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.483 11.854 -12.494 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.033 12.670 -12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.220 14.388 -9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.307 13.493 -9.619 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.029 13.221 -8.476 1.00 0.00 H new ATOM 587 N LEU A 44 1.444 9.637 -11.043 1.00 0.00 N ATOM 588 CA LEU A 44 1.997 8.645 -11.959 1.00 0.00 C ATOM 589 C LEU A 44 1.061 7.449 -12.097 1.00 0.00 C ATOM 590 O LEU A 44 0.983 6.827 -13.157 1.00 0.00 O ATOM 591 CB LEU A 44 3.369 8.179 -11.469 1.00 0.00 C ATOM 592 CG LEU A 44 4.488 9.221 -11.513 1.00 0.00 C ATOM 593 CD1 LEU A 44 5.798 8.618 -11.031 1.00 0.00 C ATOM 594 CD2 LEU A 44 4.640 9.779 -12.921 1.00 0.00 C ATOM 0 H LEU A 44 2.133 10.084 -10.439 1.00 0.00 H new ATOM 0 HA LEU A 44 2.106 9.112 -12.938 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.266 7.829 -10.442 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.675 7.322 -12.069 1.00 0.00 H new ATOM 0 HG LEU A 44 4.223 10.041 -10.845 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.582 9.374 -11.069 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.682 8.267 -10.005 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.070 7.780 -11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.440 10.519 -12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.883 8.969 -13.609 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.706 10.249 -13.229 1.00 0.00 H new ATOM 606 N PHE A 45 0.349 7.134 -11.020 1.00 0.00 N ATOM 607 CA PHE A 45 -0.584 6.013 -11.022 1.00 0.00 C ATOM 608 C PHE A 45 -1.815 6.331 -11.865 1.00 0.00 C ATOM 609 O PHE A 45 -2.188 5.566 -12.754 1.00 0.00 O ATOM 610 CB PHE A 45 -1.006 5.672 -9.591 1.00 0.00 C ATOM 611 CG PHE A 45 0.038 4.913 -8.823 1.00 0.00 C ATOM 612 CD1 PHE A 45 1.150 5.563 -8.312 1.00 0.00 C ATOM 613 CD2 PHE A 45 -0.093 3.550 -8.610 1.00 0.00 C ATOM 614 CE1 PHE A 45 2.112 4.867 -7.605 1.00 0.00 C ATOM 615 CE2 PHE A 45 0.866 2.849 -7.904 1.00 0.00 C ATOM 616 CZ PHE A 45 1.969 3.509 -7.400 1.00 0.00 C ATOM 0 H PHE A 45 0.400 7.639 -10.135 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.079 5.152 -11.460 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.237 6.595 -9.059 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.923 5.083 -9.622 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.266 6.625 -8.468 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.955 3.029 -9.000 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.975 5.385 -7.213 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.753 1.787 -7.747 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.719 2.964 -6.846 1.00 0.00 H new ATOM 626 N LYS A 46 -2.443 7.467 -11.579 1.00 0.00 N ATOM 627 CA LYS A 46 -3.632 7.889 -12.310 1.00 0.00 C ATOM 628 C LYS A 46 -3.427 7.740 -13.815 1.00 0.00 C ATOM 629 O LYS A 46 -4.382 7.538 -14.565 1.00 0.00 O ATOM 630 CB LYS A 46 -3.974 9.342 -11.973 1.00 0.00 C ATOM 631 CG LYS A 46 -3.325 10.352 -12.904 1.00 0.00 C ATOM 632 CD LYS A 46 -3.371 11.755 -12.323 1.00 0.00 C ATOM 633 CE LYS A 46 -4.674 12.459 -12.668 1.00 0.00 C ATOM 634 NZ LYS A 46 -5.851 11.777 -12.060 1.00 0.00 N ATOM 0 H LYS A 46 -2.148 8.112 -10.846 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.460 7.248 -12.008 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.056 9.470 -12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.663 9.552 -10.950 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.289 10.067 -13.087 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.834 10.339 -13.868 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.259 11.705 -11.240 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.531 12.335 -12.704 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.632 13.491 -12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.793 12.492 -13.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.648 12.443 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.121 10.962 -12.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.607 11.450 -11.104 1.00 0.00 H new ATOM 648 N LYS A 47 -2.176 7.839 -14.249 1.00 0.00 N ATOM 649 CA LYS A 47 -1.844 7.713 -15.664 1.00 0.00 C ATOM 650 C LYS A 47 -1.451 6.279 -16.004 1.00 0.00 C ATOM 651 O LYS A 47 -2.079 5.635 -16.844 1.00 0.00 O ATOM 652 CB LYS A 47 -0.704 8.666 -16.029 1.00 0.00 C ATOM 653 CG LYS A 47 -1.099 10.132 -15.981 1.00 0.00 C ATOM 654 CD LYS A 47 0.117 11.040 -16.064 1.00 0.00 C ATOM 655 CE LYS A 47 -0.126 12.363 -15.355 1.00 0.00 C ATOM 656 NZ LYS A 47 -0.729 13.377 -16.263 1.00 0.00 N ATOM 0 H LYS A 47 -1.374 8.006 -13.641 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.728 7.976 -16.244 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.130 8.500 -15.347 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.348 8.427 -17.031 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.777 10.354 -16.805 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.642 10.333 -15.058 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.977 10.540 -15.619 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.363 11.226 -17.109 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.785 12.202 -14.502 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.817 12.743 -14.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.879 14.264 -15.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.089 13.550 -17.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.641 13.026 -16.618 1.00 0.00 H new ATOM 670 N LYS A 48 -0.408 5.785 -15.346 1.00 0.00 N ATOM 671 CA LYS A 48 0.069 4.426 -15.577 1.00 0.00 C ATOM 672 C LYS A 48 -1.072 3.421 -15.451 1.00 0.00 C ATOM 673 O LYS A 48 -1.315 2.626 -16.360 1.00 0.00 O ATOM 674 CB LYS A 48 1.180 4.078 -14.584 1.00 0.00 C ATOM 675 CG LYS A 48 2.299 3.249 -15.190 1.00 0.00 C ATOM 676 CD LYS A 48 3.396 4.129 -15.765 1.00 0.00 C ATOM 677 CE LYS A 48 4.507 4.367 -14.754 1.00 0.00 C ATOM 678 NZ LYS A 48 5.432 5.450 -15.190 1.00 0.00 N ATOM 0 H LYS A 48 0.124 6.305 -14.648 1.00 0.00 H new ATOM 0 HA LYS A 48 0.466 4.374 -16.591 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.599 5.001 -14.182 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.748 3.532 -13.745 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.720 2.592 -14.429 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.895 2.610 -15.975 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.809 3.660 -16.658 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.973 5.085 -16.074 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.071 4.628 -13.790 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.070 3.445 -14.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.175 5.581 -14.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.868 5.190 -16.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.900 6.336 -15.303 1.00 0.00 H new ATOM 692 N PHE A 49 -1.770 3.462 -14.321 1.00 0.00 N ATOM 693 CA PHE A 49 -2.886 2.555 -14.078 1.00 0.00 C ATOM 694 C PHE A 49 -4.147 3.331 -13.710 1.00 0.00 C ATOM 695 O PHE A 49 -4.883 2.947 -12.802 1.00 0.00 O ATOM 696 CB PHE A 49 -2.535 1.570 -12.961 1.00 0.00 C ATOM 697 CG PHE A 49 -1.077 1.212 -12.913 1.00 0.00 C ATOM 698 CD1 PHE A 49 -0.586 0.149 -13.654 1.00 0.00 C ATOM 699 CD2 PHE A 49 -0.198 1.938 -12.126 1.00 0.00 C ATOM 700 CE1 PHE A 49 0.755 -0.183 -13.612 1.00 0.00 C ATOM 701 CE2 PHE A 49 1.144 1.611 -12.081 1.00 0.00 C ATOM 702 CZ PHE A 49 1.621 0.549 -12.823 1.00 0.00 C ATOM 0 H PHE A 49 -1.583 4.114 -13.559 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.078 2.000 -14.996 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.827 2.000 -12.003 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.120 0.660 -13.093 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.259 -0.427 -14.272 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.565 2.768 -11.541 1.00 0.00 H new ATOM 0 HE1 PHE A 49 1.125 -1.013 -14.195 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.820 2.186 -11.465 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.669 0.291 -12.787 1.00 0.00 H new ATOM 712 N GLY A 50 -4.389 4.428 -14.422 1.00 0.00 N ATOM 713 CA GLY A 50 -5.561 5.241 -14.156 1.00 0.00 C ATOM 714 C GLY A 50 -6.762 4.412 -13.746 1.00 0.00 C ATOM 715 O GLY A 50 -7.125 4.372 -12.572 1.00 0.00 O ATOM 0 H GLY A 50 -3.794 4.768 -15.178 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.331 5.957 -13.367 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.809 5.818 -15.047 1.00 0.00 H new ATOM 719 N GLY A 51 -7.381 3.749 -14.718 1.00 0.00 N ATOM 720 CA GLY A 51 -8.542 2.927 -14.432 1.00 0.00 C ATOM 721 C GLY A 51 -9.460 3.558 -13.404 1.00 0.00 C ATOM 722 O GLY A 51 -9.986 2.872 -12.527 1.00 0.00 O ATOM 0 H GLY A 51 -7.099 3.767 -15.698 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.098 2.755 -15.354 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.213 1.952 -14.071 1.00 0.00 H new ATOM 726 N VAL A 52 -9.651 4.869 -13.509 1.00 0.00 N ATOM 727 CA VAL A 52 -10.511 5.593 -12.580 1.00 0.00 C ATOM 728 C VAL A 52 -11.922 5.014 -12.572 1.00 0.00 C ATOM 729 O VAL A 52 -12.626 5.087 -11.566 1.00 0.00 O ATOM 730 CB VAL A 52 -10.585 7.090 -12.935 1.00 0.00 C ATOM 731 CG1 VAL A 52 -9.277 7.786 -12.589 1.00 0.00 C ATOM 732 CG2 VAL A 52 -10.923 7.273 -14.406 1.00 0.00 C ATOM 0 H VAL A 52 -9.222 5.452 -14.228 1.00 0.00 H new ATOM 0 HA VAL A 52 -10.070 5.483 -11.589 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.379 7.547 -12.344 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.348 8.843 -12.847 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.083 7.685 -11.521 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.462 7.329 -13.151 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -10.971 8.337 -14.639 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -10.153 6.802 -15.017 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.887 6.811 -14.618 1.00 0.00 H new ATOM 742 N GLN A 53 -12.326 4.439 -13.700 1.00 0.00 N ATOM 743 CA GLN A 53 -13.653 3.847 -13.822 1.00 0.00 C ATOM 744 C GLN A 53 -13.658 2.410 -13.310 1.00 0.00 C ATOM 745 O GLN A 53 -14.644 1.950 -12.736 1.00 0.00 O ATOM 746 CB GLN A 53 -14.118 3.883 -15.279 1.00 0.00 C ATOM 747 CG GLN A 53 -15.491 3.266 -15.494 1.00 0.00 C ATOM 748 CD GLN A 53 -16.615 4.270 -15.328 1.00 0.00 C ATOM 749 OE1 GLN A 53 -17.053 4.894 -16.295 1.00 0.00 O ATOM 750 NE2 GLN A 53 -17.088 4.431 -14.098 1.00 0.00 N ATOM 0 H GLN A 53 -11.754 4.370 -14.542 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.342 4.432 -13.213 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -14.136 4.918 -15.621 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -13.391 3.356 -15.897 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -15.539 2.835 -16.494 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -15.632 2.448 -14.787 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -16.695 3.893 -13.326 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -17.844 5.093 -13.925 1.00 0.00 H new ATOM 759 N GLU A 54 -12.549 1.708 -13.521 1.00 0.00 N ATOM 760 CA GLU A 54 -12.427 0.323 -13.081 1.00 0.00 C ATOM 761 C GLU A 54 -12.272 0.246 -11.565 1.00 0.00 C ATOM 762 O GLU A 54 -12.738 -0.701 -10.930 1.00 0.00 O ATOM 763 CB GLU A 54 -11.232 -0.348 -13.761 1.00 0.00 C ATOM 764 CG GLU A 54 -11.537 -0.862 -15.158 1.00 0.00 C ATOM 765 CD GLU A 54 -12.655 -1.886 -15.172 1.00 0.00 C ATOM 766 OE1 GLU A 54 -12.446 -3.001 -14.651 1.00 0.00 O ATOM 767 OE2 GLU A 54 -13.740 -1.571 -15.704 1.00 0.00 O ATOM 0 H GLU A 54 -11.723 2.075 -13.993 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.339 -0.203 -13.363 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.409 0.365 -13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.893 -1.179 -13.143 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.810 -0.023 -15.798 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.637 -1.307 -15.582 1.00 0.00 H new ATOM 774 N LEU A 55 -11.615 1.247 -10.991 1.00 0.00 N ATOM 775 CA LEU A 55 -11.398 1.294 -9.549 1.00 0.00 C ATOM 776 C LEU A 55 -12.662 1.743 -8.822 1.00 0.00 C ATOM 777 O LEU A 55 -13.106 1.098 -7.871 1.00 0.00 O ATOM 778 CB LEU A 55 -10.242 2.239 -9.218 1.00 0.00 C ATOM 779 CG LEU A 55 -8.867 1.830 -9.748 1.00 0.00 C ATOM 780 CD1 LEU A 55 -7.898 3.000 -9.678 1.00 0.00 C ATOM 781 CD2 LEU A 55 -8.327 0.640 -8.968 1.00 0.00 C ATOM 0 H LEU A 55 -11.223 2.038 -11.502 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.145 0.289 -9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.482 3.226 -9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.177 2.336 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.974 1.536 -10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.925 2.690 -10.059 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.278 3.824 -10.282 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.795 3.326 -8.643 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.348 0.363 -9.359 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.235 0.906 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.011 -0.203 -9.071 1.00 0.00 H new ATOM 793 N LEU A 56 -13.237 2.850 -9.277 1.00 0.00 N ATOM 794 CA LEU A 56 -14.452 3.385 -8.672 1.00 0.00 C ATOM 795 C LEU A 56 -15.558 2.335 -8.651 1.00 0.00 C ATOM 796 O LEU A 56 -16.378 2.301 -7.735 1.00 0.00 O ATOM 797 CB LEU A 56 -14.924 4.624 -9.436 1.00 0.00 C ATOM 798 CG LEU A 56 -14.013 5.849 -9.356 1.00 0.00 C ATOM 799 CD1 LEU A 56 -14.302 6.805 -10.502 1.00 0.00 C ATOM 800 CD2 LEU A 56 -14.181 6.552 -8.017 1.00 0.00 C ATOM 0 H LEU A 56 -12.882 3.395 -10.063 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.223 3.665 -7.644 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -15.046 4.355 -10.485 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.909 4.904 -9.062 1.00 0.00 H new ATOM 0 HG LEU A 56 -12.979 5.515 -9.441 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.644 7.671 -10.428 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -14.129 6.298 -11.451 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -15.340 7.133 -10.449 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.525 7.422 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.216 6.873 -7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.922 5.866 -7.211 1.00 0.00 H new ATOM 812 N ASN A 57 -15.572 1.478 -9.667 1.00 0.00 N ATOM 813 CA ASN A 57 -16.577 0.425 -9.764 1.00 0.00 C ATOM 814 C ASN A 57 -16.583 -0.439 -8.506 1.00 0.00 C ATOM 815 O ASN A 57 -17.643 -0.789 -7.988 1.00 0.00 O ATOM 816 CB ASN A 57 -16.314 -0.447 -10.994 1.00 0.00 C ATOM 817 CG ASN A 57 -16.541 0.301 -12.293 1.00 0.00 C ATOM 818 OD1 ASN A 57 -17.017 1.437 -12.293 1.00 0.00 O ATOM 819 ND2 ASN A 57 -16.202 -0.334 -13.409 1.00 0.00 N ATOM 0 H ASN A 57 -14.900 1.492 -10.434 1.00 0.00 H new ATOM 0 HA ASN A 57 -17.554 0.897 -9.863 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -15.288 -0.813 -10.963 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -16.965 -1.321 -10.962 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -16.333 0.119 -14.313 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -15.811 -1.275 -13.362 1.00 0.00 H new ATOM 826 N GLN A 58 -15.393 -0.778 -8.022 1.00 0.00 N ATOM 827 CA GLN A 58 -15.262 -1.601 -6.825 1.00 0.00 C ATOM 828 C GLN A 58 -15.976 -0.957 -5.641 1.00 0.00 C ATOM 829 O GLN A 58 -16.270 -1.620 -4.647 1.00 0.00 O ATOM 830 CB GLN A 58 -13.785 -1.818 -6.489 1.00 0.00 C ATOM 831 CG GLN A 58 -13.001 -2.493 -7.602 1.00 0.00 C ATOM 832 CD GLN A 58 -11.549 -2.727 -7.234 1.00 0.00 C ATOM 833 OE1 GLN A 58 -11.245 -3.257 -6.165 1.00 0.00 O ATOM 834 NE2 GLN A 58 -10.642 -2.331 -8.120 1.00 0.00 N ATOM 0 H GLN A 58 -14.506 -0.496 -8.440 1.00 0.00 H new ATOM 0 HA GLN A 58 -15.727 -2.566 -7.025 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -13.326 -0.855 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -13.712 -2.423 -5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.469 -3.447 -7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -13.050 -1.878 -8.500 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.938 -1.896 -8.994 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -9.649 -2.462 -7.927 1.00 0.00 H new ATOM 843 N GLN A 59 -16.251 0.338 -5.756 1.00 0.00 N ATOM 844 CA GLN A 59 -16.930 1.071 -4.693 1.00 0.00 C ATOM 845 C GLN A 59 -16.270 0.809 -3.344 1.00 0.00 C ATOM 846 O GLN A 59 -16.944 0.513 -2.357 1.00 0.00 O ATOM 847 CB GLN A 59 -18.407 0.678 -4.637 1.00 0.00 C ATOM 848 CG GLN A 59 -19.225 1.220 -5.798 1.00 0.00 C ATOM 849 CD GLN A 59 -20.697 1.357 -5.460 1.00 0.00 C ATOM 850 OE1 GLN A 59 -21.385 0.365 -5.216 1.00 0.00 O ATOM 851 NE2 GLN A 59 -21.188 2.590 -5.445 1.00 0.00 N ATOM 0 H GLN A 59 -16.015 0.901 -6.573 1.00 0.00 H new ATOM 0 HA GLN A 59 -16.853 2.136 -4.913 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -18.485 -0.409 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -18.835 1.039 -3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -18.831 2.193 -6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -19.113 0.558 -6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -20.581 3.383 -5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -22.172 2.744 -5.225 1.00 0.00 H new ATOM 860 N LYS A 60 -14.946 0.919 -3.307 1.00 0.00 N ATOM 861 CA LYS A 60 -14.193 0.696 -2.078 1.00 0.00 C ATOM 862 C LYS A 60 -14.273 1.913 -1.162 1.00 0.00 C ATOM 863 O LYS A 60 -14.521 3.030 -1.616 1.00 0.00 O ATOM 864 CB LYS A 60 -12.731 0.382 -2.402 1.00 0.00 C ATOM 865 CG LYS A 60 -12.547 -0.882 -3.223 1.00 0.00 C ATOM 866 CD LYS A 60 -12.850 -2.127 -2.407 1.00 0.00 C ATOM 867 CE LYS A 60 -13.374 -3.254 -3.283 1.00 0.00 C ATOM 868 NZ LYS A 60 -13.524 -4.525 -2.521 1.00 0.00 N ATOM 0 H LYS A 60 -14.372 1.161 -4.115 1.00 0.00 H new ATOM 0 HA LYS A 60 -14.635 -0.155 -1.560 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.299 1.223 -2.944 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.174 0.284 -1.470 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.201 -0.849 -4.094 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.523 -0.930 -3.594 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.947 -2.455 -1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.586 -1.890 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.337 -2.968 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.693 -3.410 -4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -13.883 -5.268 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.600 -4.812 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -14.193 -4.383 -1.738 1.00 0.00 H new ATOM 882 N LYS A 61 -14.059 1.690 0.130 1.00 0.00 N ATOM 883 CA LYS A 61 -14.104 2.768 1.111 1.00 0.00 C ATOM 884 C LYS A 61 -12.974 2.627 2.126 1.00 0.00 C ATOM 885 O LYS A 61 -12.277 1.613 2.157 1.00 0.00 O ATOM 886 CB LYS A 61 -15.453 2.774 1.832 1.00 0.00 C ATOM 887 CG LYS A 61 -16.640 2.950 0.901 1.00 0.00 C ATOM 888 CD LYS A 61 -16.653 4.331 0.269 1.00 0.00 C ATOM 889 CE LYS A 61 -17.634 4.405 -0.891 1.00 0.00 C ATOM 890 NZ LYS A 61 -19.047 4.327 -0.427 1.00 0.00 N ATOM 0 H LYS A 61 -13.852 0.772 0.523 1.00 0.00 H new ATOM 0 HA LYS A 61 -13.978 3.712 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.567 1.838 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -15.458 3.577 2.569 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.606 2.191 0.119 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.565 2.794 1.456 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -16.920 5.074 1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.652 4.580 -0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -17.482 5.336 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -17.435 3.591 -1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -19.685 4.381 -1.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -19.199 3.427 0.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -19.245 5.118 0.218 1.00 0.00 H new ATOM 904 N SER A 62 -12.798 3.651 2.955 1.00 0.00 N ATOM 905 CA SER A 62 -11.751 3.643 3.969 1.00 0.00 C ATOM 906 C SER A 62 -11.643 2.270 4.627 1.00 0.00 C ATOM 907 O SER A 62 -12.644 1.580 4.817 1.00 0.00 O ATOM 908 CB SER A 62 -12.030 4.709 5.030 1.00 0.00 C ATOM 909 OG SER A 62 -12.012 6.008 4.465 1.00 0.00 O ATOM 0 H SER A 62 -13.368 4.497 2.944 1.00 0.00 H new ATOM 0 HA SER A 62 -10.804 3.868 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.000 4.523 5.491 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.283 4.643 5.821 1.00 0.00 H new ATOM 0 HG SER A 62 -11.186 6.466 4.725 1.00 0.00 H new ATOM 915 N GLY A 63 -10.419 1.881 4.972 1.00 0.00 N ATOM 916 CA GLY A 63 -10.202 0.593 5.604 1.00 0.00 C ATOM 917 C GLY A 63 -10.135 -0.542 4.601 1.00 0.00 C ATOM 918 O GLY A 63 -9.636 -1.623 4.911 1.00 0.00 O ATOM 0 H GLY A 63 -9.575 2.434 4.825 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.274 0.624 6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.007 0.400 6.313 1.00 0.00 H new ATOM 922 N GLU A 64 -10.639 -0.295 3.396 1.00 0.00 N ATOM 923 CA GLU A 64 -10.636 -1.306 2.346 1.00 0.00 C ATOM 924 C GLU A 64 -9.562 -1.006 1.305 1.00 0.00 C ATOM 925 O GLU A 64 -9.015 0.097 1.260 1.00 0.00 O ATOM 926 CB GLU A 64 -12.008 -1.379 1.673 1.00 0.00 C ATOM 927 CG GLU A 64 -12.317 -2.737 1.065 1.00 0.00 C ATOM 928 CD GLU A 64 -12.058 -3.879 2.028 1.00 0.00 C ATOM 929 OE1 GLU A 64 -12.543 -3.808 3.177 1.00 0.00 O ATOM 930 OE2 GLU A 64 -11.371 -4.844 1.634 1.00 0.00 O ATOM 0 H GLU A 64 -11.054 0.596 3.123 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.413 -2.269 2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -12.776 -1.136 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -12.061 -0.620 0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.360 -2.761 0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.711 -2.877 0.170 1.00 0.00 H new ATOM 937 N VAL A 65 -9.264 -1.995 0.468 1.00 0.00 N ATOM 938 CA VAL A 65 -8.256 -1.837 -0.574 1.00 0.00 C ATOM 939 C VAL A 65 -8.796 -2.273 -1.931 1.00 0.00 C ATOM 940 O VAL A 65 -9.613 -3.189 -2.020 1.00 0.00 O ATOM 941 CB VAL A 65 -6.986 -2.649 -0.253 1.00 0.00 C ATOM 942 CG1 VAL A 65 -7.275 -4.141 -0.320 1.00 0.00 C ATOM 943 CG2 VAL A 65 -5.860 -2.272 -1.204 1.00 0.00 C ATOM 0 H VAL A 65 -9.706 -2.914 0.491 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.001 -0.778 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.669 -2.410 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.367 -4.698 -0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.049 -4.395 0.404 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.617 -4.401 -1.322 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.971 -2.854 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.165 -2.481 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.637 -1.210 -1.101 1.00 0.00 H new ATOM 953 N ALA A 66 -8.332 -1.612 -2.986 1.00 0.00 N ATOM 954 CA ALA A 66 -8.766 -1.932 -4.340 1.00 0.00 C ATOM 955 C ALA A 66 -7.676 -2.675 -5.105 1.00 0.00 C ATOM 956 O ALA A 66 -6.492 -2.557 -4.790 1.00 0.00 O ATOM 957 CB ALA A 66 -9.163 -0.664 -5.082 1.00 0.00 C ATOM 0 H ALA A 66 -7.655 -0.851 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.635 -2.586 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.485 -0.919 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.981 -0.174 -4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.308 0.010 -5.133 1.00 0.00 H new ATOM 963 N VAL A 67 -8.083 -3.442 -6.111 1.00 0.00 N ATOM 964 CA VAL A 67 -7.140 -4.205 -6.921 1.00 0.00 C ATOM 965 C VAL A 67 -7.391 -3.985 -8.409 1.00 0.00 C ATOM 966 O VAL A 67 -8.538 -3.914 -8.853 1.00 0.00 O ATOM 967 CB VAL A 67 -7.227 -5.711 -6.614 1.00 0.00 C ATOM 968 CG1 VAL A 67 -6.354 -6.504 -7.576 1.00 0.00 C ATOM 969 CG2 VAL A 67 -6.828 -5.985 -5.172 1.00 0.00 C ATOM 0 H VAL A 67 -9.059 -3.552 -6.385 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.142 -3.847 -6.667 1.00 0.00 H new ATOM 0 HB VAL A 67 -8.260 -6.032 -6.749 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.428 -7.566 -7.343 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.690 -6.332 -8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.317 -6.182 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.895 -7.055 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.804 -5.649 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.498 -5.448 -4.501 1.00 0.00 H new ATOM 979 N LEU A 68 -6.312 -3.879 -9.176 1.00 0.00 N ATOM 980 CA LEU A 68 -6.414 -3.668 -10.616 1.00 0.00 C ATOM 981 C LEU A 68 -5.335 -4.449 -11.358 1.00 0.00 C ATOM 982 O LEU A 68 -4.143 -4.286 -11.097 1.00 0.00 O ATOM 983 CB LEU A 68 -6.296 -2.178 -10.942 1.00 0.00 C ATOM 984 CG LEU A 68 -7.046 -1.702 -12.187 1.00 0.00 C ATOM 985 CD1 LEU A 68 -8.547 -1.867 -12.001 1.00 0.00 C ATOM 986 CD2 LEU A 68 -6.701 -0.253 -12.496 1.00 0.00 C ATOM 0 H LEU A 68 -5.356 -3.936 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.389 -4.030 -10.944 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.657 -1.609 -10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.240 -1.936 -11.063 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.735 -2.316 -13.032 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.065 -1.523 -12.897 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.779 -2.918 -11.829 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.874 -1.278 -11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.244 0.069 -13.385 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.982 0.376 -11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.629 -0.164 -12.673 1.00 0.00 H new ATOM 998 N LYS A 69 -5.761 -5.298 -12.288 1.00 0.00 N ATOM 999 CA LYS A 69 -4.833 -6.103 -13.072 1.00 0.00 C ATOM 1000 C LYS A 69 -4.473 -5.402 -14.378 1.00 0.00 C ATOM 1001 O LYS A 69 -5.238 -5.434 -15.342 1.00 0.00 O ATOM 1002 CB LYS A 69 -5.441 -7.476 -13.369 1.00 0.00 C ATOM 1003 CG LYS A 69 -4.651 -8.285 -14.383 1.00 0.00 C ATOM 1004 CD LYS A 69 -3.515 -9.048 -13.724 1.00 0.00 C ATOM 1005 CE LYS A 69 -3.191 -10.329 -14.478 1.00 0.00 C ATOM 1006 NZ LYS A 69 -2.700 -10.051 -15.857 1.00 0.00 N ATOM 0 H LYS A 69 -6.744 -5.446 -12.517 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.922 -6.234 -12.487 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.510 -8.042 -12.440 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.458 -7.342 -13.737 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.316 -8.985 -14.889 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.249 -7.620 -15.147 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.628 -8.416 -13.681 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.785 -9.288 -12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.436 -10.892 -13.930 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.081 -10.956 -14.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.017 -10.784 -16.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.502 -10.055 -16.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.238 -9.120 -15.880 1.00 0.00 H new ATOM 1020 N ARG A 70 -3.304 -4.771 -14.403 1.00 0.00 N ATOM 1021 CA ARG A 70 -2.843 -4.062 -15.591 1.00 0.00 C ATOM 1022 C ARG A 70 -1.751 -4.852 -16.306 1.00 0.00 C ATOM 1023 O ARG A 70 -1.942 -5.317 -17.429 1.00 0.00 O ATOM 1024 CB ARG A 70 -2.320 -2.675 -15.212 1.00 0.00 C ATOM 1025 CG ARG A 70 -2.531 -1.628 -16.293 1.00 0.00 C ATOM 1026 CD ARG A 70 -3.939 -1.053 -16.244 1.00 0.00 C ATOM 1027 NE ARG A 70 -4.091 0.096 -17.132 1.00 0.00 N ATOM 1028 CZ ARG A 70 -5.268 0.610 -17.473 1.00 0.00 C ATOM 1029 NH1 ARG A 70 -6.388 0.079 -17.003 1.00 0.00 N ATOM 1030 NH2 ARG A 70 -5.325 1.658 -18.285 1.00 0.00 N ATOM 0 H ARG A 70 -2.658 -4.736 -13.614 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.689 -3.951 -16.269 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.815 -2.346 -14.298 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.255 -2.746 -14.990 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -1.804 -0.825 -16.170 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.352 -2.073 -17.272 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.656 -1.825 -16.524 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.174 -0.755 -15.222 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.248 0.527 -17.511 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.348 -0.726 -16.378 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.290 0.476 -17.266 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.465 2.069 -18.648 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.229 2.052 -18.546 1.00 0.00 H new ATOM 1044 N ASP A 71 -0.606 -4.998 -15.647 1.00 0.00 N ATOM 1045 CA ASP A 71 0.517 -5.732 -16.219 1.00 0.00 C ATOM 1046 C ASP A 71 0.819 -6.985 -15.403 1.00 0.00 C ATOM 1047 O ASP A 71 1.635 -6.957 -14.483 1.00 0.00 O ATOM 1048 CB ASP A 71 1.757 -4.839 -16.284 1.00 0.00 C ATOM 1049 CG ASP A 71 2.758 -5.313 -17.319 1.00 0.00 C ATOM 1050 OD1 ASP A 71 2.341 -5.594 -18.463 1.00 0.00 O ATOM 1051 OD2 ASP A 71 3.958 -5.405 -16.986 1.00 0.00 O ATOM 0 H ASP A 71 -0.431 -4.618 -14.717 1.00 0.00 H new ATOM 0 HA ASP A 71 0.244 -6.036 -17.230 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.454 -3.818 -16.517 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.235 -4.814 -15.305 1.00 0.00 H new ATOM 1056 N GLY A 72 0.154 -8.083 -15.747 1.00 0.00 N ATOM 1057 CA GLY A 72 0.364 -9.331 -15.036 1.00 0.00 C ATOM 1058 C GLY A 72 0.648 -9.117 -13.562 1.00 0.00 C ATOM 1059 O GLY A 72 1.436 -9.848 -12.962 1.00 0.00 O ATOM 0 H GLY A 72 -0.527 -8.131 -16.505 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.519 -9.961 -15.145 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.197 -9.868 -15.489 1.00 0.00 H new ATOM 1063 N ARG A 73 0.005 -8.112 -12.977 1.00 0.00 N ATOM 1064 CA ARG A 73 0.194 -7.803 -11.565 1.00 0.00 C ATOM 1065 C ARG A 73 -1.040 -7.114 -10.989 1.00 0.00 C ATOM 1066 O ARG A 73 -1.780 -6.442 -11.707 1.00 0.00 O ATOM 1067 CB ARG A 73 1.423 -6.912 -11.376 1.00 0.00 C ATOM 1068 CG ARG A 73 1.211 -5.477 -11.831 1.00 0.00 C ATOM 1069 CD ARG A 73 2.372 -4.585 -11.421 1.00 0.00 C ATOM 1070 NE ARG A 73 2.563 -3.474 -12.350 1.00 0.00 N ATOM 1071 CZ ARG A 73 3.663 -2.730 -12.389 1.00 0.00 C ATOM 1072 NH1 ARG A 73 4.665 -2.978 -11.557 1.00 0.00 N ATOM 1073 NH2 ARG A 73 3.762 -1.736 -13.262 1.00 0.00 N ATOM 0 H ARG A 73 -0.651 -7.498 -13.459 1.00 0.00 H new ATOM 0 HA ARG A 73 0.348 -8.741 -11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 73 1.703 -6.913 -10.323 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.260 -7.340 -11.929 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.096 -5.451 -12.915 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.286 -5.091 -11.403 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.192 -4.194 -10.420 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.285 -5.178 -11.372 1.00 0.00 H new ATOM 0 HE ARG A 73 1.811 -3.258 -13.004 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.593 -3.742 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.508 -2.405 -11.589 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.993 -1.543 -13.904 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.607 -1.165 -13.291 1.00 0.00 H new ATOM 1087 N TYR A 74 -1.255 -7.287 -9.690 1.00 0.00 N ATOM 1088 CA TYR A 74 -2.401 -6.685 -9.018 1.00 0.00 C ATOM 1089 C TYR A 74 -1.975 -5.473 -8.195 1.00 0.00 C ATOM 1090 O TYR A 74 -1.298 -5.608 -7.176 1.00 0.00 O ATOM 1091 CB TYR A 74 -3.087 -7.712 -8.116 1.00 0.00 C ATOM 1092 CG TYR A 74 -3.362 -9.032 -8.800 1.00 0.00 C ATOM 1093 CD1 TYR A 74 -4.136 -9.091 -9.953 1.00 0.00 C ATOM 1094 CD2 TYR A 74 -2.849 -10.220 -8.294 1.00 0.00 C ATOM 1095 CE1 TYR A 74 -4.390 -10.295 -10.581 1.00 0.00 C ATOM 1096 CE2 TYR A 74 -3.097 -11.428 -8.917 1.00 0.00 C ATOM 1097 CZ TYR A 74 -3.868 -11.460 -10.060 1.00 0.00 C ATOM 1098 OH TYR A 74 -4.119 -12.661 -10.682 1.00 0.00 O ATOM 0 H TYR A 74 -0.651 -7.839 -9.081 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.105 -6.354 -9.781 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.462 -7.889 -7.241 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.028 -7.296 -7.756 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.546 -8.180 -10.365 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.246 -10.199 -7.398 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.994 -10.324 -11.476 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.689 -12.342 -8.511 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.678 -13.384 -10.188 1.00 0.00 H new ATOM 1108 N ILE A 75 -2.377 -4.290 -8.646 1.00 0.00 N ATOM 1109 CA ILE A 75 -2.039 -3.053 -7.952 1.00 0.00 C ATOM 1110 C ILE A 75 -3.016 -2.777 -6.814 1.00 0.00 C ATOM 1111 O ILE A 75 -4.232 -2.823 -7.001 1.00 0.00 O ATOM 1112 CB ILE A 75 -2.035 -1.851 -8.914 1.00 0.00 C ATOM 1113 CG1 ILE A 75 -1.064 -2.098 -10.070 1.00 0.00 C ATOM 1114 CG2 ILE A 75 -1.665 -0.577 -8.168 1.00 0.00 C ATOM 1115 CD1 ILE A 75 -1.158 -1.063 -11.170 1.00 0.00 C ATOM 0 H ILE A 75 -2.937 -4.162 -9.489 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.037 -3.184 -7.543 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.037 -1.731 -9.325 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.046 -2.112 -9.682 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.258 -3.084 -10.492 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.666 0.264 -8.861 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.391 -0.395 -7.376 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.672 -0.686 -7.732 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.441 -1.301 -11.956 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.166 -1.064 -11.585 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.935 -0.077 -10.762 1.00 0.00 H new ATOM 1127 N TYR A 76 -2.476 -2.488 -5.636 1.00 0.00 N ATOM 1128 CA TYR A 76 -3.300 -2.204 -4.467 1.00 0.00 C ATOM 1129 C TYR A 76 -3.426 -0.700 -4.241 1.00 0.00 C ATOM 1130 O TYR A 76 -2.460 0.046 -4.403 1.00 0.00 O ATOM 1131 CB TYR A 76 -2.706 -2.869 -3.224 1.00 0.00 C ATOM 1132 CG TYR A 76 -2.715 -4.380 -3.284 1.00 0.00 C ATOM 1133 CD1 TYR A 76 -3.900 -5.093 -3.148 1.00 0.00 C ATOM 1134 CD2 TYR A 76 -1.539 -5.095 -3.475 1.00 0.00 C ATOM 1135 CE1 TYR A 76 -3.913 -6.474 -3.202 1.00 0.00 C ATOM 1136 CE2 TYR A 76 -1.543 -6.475 -3.531 1.00 0.00 C ATOM 1137 CZ TYR A 76 -2.732 -7.160 -3.393 1.00 0.00 C ATOM 1138 OH TYR A 76 -2.740 -8.535 -3.447 1.00 0.00 O ATOM 0 H TYR A 76 -1.471 -2.444 -5.465 1.00 0.00 H new ATOM 0 HA TYR A 76 -4.295 -2.611 -4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -1.680 -2.525 -3.093 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -3.265 -2.545 -2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -4.827 -4.559 -2.998 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.606 -4.562 -3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.843 -7.013 -3.095 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.620 -7.015 -3.682 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.827 -8.862 -3.587 1.00 0.00 H new ATOM 1148 N TYR A 77 -4.623 -0.263 -3.865 1.00 0.00 N ATOM 1149 CA TYR A 77 -4.877 1.151 -3.618 1.00 0.00 C ATOM 1150 C TYR A 77 -5.430 1.368 -2.213 1.00 0.00 C ATOM 1151 O TYR A 77 -6.644 1.366 -2.003 1.00 0.00 O ATOM 1152 CB TYR A 77 -5.857 1.703 -4.655 1.00 0.00 C ATOM 1153 CG TYR A 77 -5.424 1.466 -6.084 1.00 0.00 C ATOM 1154 CD1 TYR A 77 -5.452 0.192 -6.637 1.00 0.00 C ATOM 1155 CD2 TYR A 77 -4.986 2.516 -6.881 1.00 0.00 C ATOM 1156 CE1 TYR A 77 -5.056 -0.030 -7.942 1.00 0.00 C ATOM 1157 CE2 TYR A 77 -4.590 2.304 -8.187 1.00 0.00 C ATOM 1158 CZ TYR A 77 -4.627 1.030 -8.713 1.00 0.00 C ATOM 1159 OH TYR A 77 -4.232 0.814 -10.013 1.00 0.00 O ATOM 0 H TYR A 77 -5.432 -0.868 -3.725 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.930 1.684 -3.702 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.834 1.245 -4.499 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.978 2.774 -4.494 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.789 -0.640 -6.036 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.955 3.515 -6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -5.082 -1.027 -8.356 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.253 3.132 -8.793 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.415 1.614 -10.548 1.00 0.00 H new ATOM 1169 N LEU A 78 -4.531 1.555 -1.253 1.00 0.00 N ATOM 1170 CA LEU A 78 -4.927 1.774 0.134 1.00 0.00 C ATOM 1171 C LEU A 78 -5.764 3.042 0.267 1.00 0.00 C ATOM 1172 O LEU A 78 -5.357 4.116 -0.177 1.00 0.00 O ATOM 1173 CB LEU A 78 -3.691 1.869 1.029 1.00 0.00 C ATOM 1174 CG LEU A 78 -2.667 0.743 0.881 1.00 0.00 C ATOM 1175 CD1 LEU A 78 -1.318 1.171 1.439 1.00 0.00 C ATOM 1176 CD2 LEU A 78 -3.157 -0.518 1.576 1.00 0.00 C ATOM 0 H LEU A 78 -3.523 1.559 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.533 0.925 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.192 2.816 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.021 1.899 2.068 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.546 0.526 -0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.602 0.357 1.325 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.961 2.047 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.423 1.417 2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.416 -1.309 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.308 -0.314 2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.099 -0.836 1.130 1.00 0.00 H new ATOM 1188 N ILE A 79 -6.934 2.911 0.883 1.00 0.00 N ATOM 1189 CA ILE A 79 -7.826 4.047 1.078 1.00 0.00 C ATOM 1190 C ILE A 79 -7.900 4.443 2.549 1.00 0.00 C ATOM 1191 O ILE A 79 -8.147 3.606 3.417 1.00 0.00 O ATOM 1192 CB ILE A 79 -9.247 3.740 0.569 1.00 0.00 C ATOM 1193 CG1 ILE A 79 -9.201 3.271 -0.886 1.00 0.00 C ATOM 1194 CG2 ILE A 79 -10.136 4.968 0.708 1.00 0.00 C ATOM 1195 CD1 ILE A 79 -10.315 2.313 -1.248 1.00 0.00 C ATOM 0 H ILE A 79 -7.286 2.029 1.256 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.413 4.875 0.502 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.669 2.939 1.176 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.253 4.140 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.242 2.788 -1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -11.137 4.736 0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.190 5.261 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.719 5.787 0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -10.219 2.023 -2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.251 1.426 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.278 2.800 -1.093 1.00 0.00 H new ATOM 1207 N THR A 80 -7.685 5.726 2.822 1.00 0.00 N ATOM 1208 CA THR A 80 -7.727 6.234 4.187 1.00 0.00 C ATOM 1209 C THR A 80 -8.576 7.497 4.278 1.00 0.00 C ATOM 1210 O THR A 80 -9.359 7.665 5.213 1.00 0.00 O ATOM 1211 CB THR A 80 -6.313 6.541 4.716 1.00 0.00 C ATOM 1212 OG1 THR A 80 -5.635 7.426 3.817 1.00 0.00 O ATOM 1213 CG2 THR A 80 -5.507 5.261 4.880 1.00 0.00 C ATOM 0 H THR A 80 -7.480 6.432 2.115 1.00 0.00 H new ATOM 0 HA THR A 80 -8.175 5.453 4.801 1.00 0.00 H new ATOM 0 HB THR A 80 -6.409 7.018 5.691 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.691 7.492 4.072 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.512 5.503 5.255 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.011 4.602 5.587 1.00 0.00 H new ATOM 0 HG23 THR A 80 -5.420 4.760 3.916 1.00 0.00 H new ATOM 1221 N LYS A 81 -8.417 8.383 3.301 1.00 0.00 N ATOM 1222 CA LYS A 81 -9.171 9.631 3.268 1.00 0.00 C ATOM 1223 C LYS A 81 -10.180 9.627 2.125 1.00 0.00 C ATOM 1224 O LYS A 81 -10.092 8.810 1.208 1.00 0.00 O ATOM 1225 CB LYS A 81 -8.221 10.821 3.120 1.00 0.00 C ATOM 1226 CG LYS A 81 -7.377 10.772 1.858 1.00 0.00 C ATOM 1227 CD LYS A 81 -6.147 11.656 1.976 1.00 0.00 C ATOM 1228 CE LYS A 81 -5.490 11.880 0.622 1.00 0.00 C ATOM 1229 NZ LYS A 81 -4.830 10.645 0.115 1.00 0.00 N ATOM 0 H LYS A 81 -7.772 8.260 2.520 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.715 9.723 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.803 11.742 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.561 10.859 3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.070 9.744 1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.976 11.092 1.006 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -6.428 12.616 2.409 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.431 11.196 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.241 12.211 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.753 12.679 0.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -4.394 10.839 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.096 10.343 0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -5.538 9.890 0.013 1.00 0.00 H new ATOM 1243 N LYS A 82 -11.138 10.546 2.184 1.00 0.00 N ATOM 1244 CA LYS A 82 -12.163 10.651 1.152 1.00 0.00 C ATOM 1245 C LYS A 82 -11.834 11.772 0.171 1.00 0.00 C ATOM 1246 O LYS A 82 -11.932 11.594 -1.043 1.00 0.00 O ATOM 1247 CB LYS A 82 -13.532 10.902 1.788 1.00 0.00 C ATOM 1248 CG LYS A 82 -13.990 9.783 2.708 1.00 0.00 C ATOM 1249 CD LYS A 82 -15.014 10.275 3.717 1.00 0.00 C ATOM 1250 CE LYS A 82 -16.408 10.338 3.112 1.00 0.00 C ATOM 1251 NZ LYS A 82 -17.129 9.042 3.243 1.00 0.00 N ATOM 0 H LYS A 82 -11.226 11.229 2.936 1.00 0.00 H new ATOM 0 HA LYS A 82 -12.190 9.709 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.495 11.833 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -14.271 11.037 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.421 8.976 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.130 9.368 3.234 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -15.021 9.612 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.727 11.264 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.982 11.124 3.603 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.335 10.608 2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.075 9.126 2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.595 8.296 2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.222 8.797 4.249 1.00 0.00 H new ATOM 1265 N ARG A 83 -11.441 12.924 0.705 1.00 0.00 N ATOM 1266 CA ARG A 83 -11.097 14.072 -0.125 1.00 0.00 C ATOM 1267 C ARG A 83 -9.855 14.778 0.412 1.00 0.00 C ATOM 1268 O ARG A 83 -9.596 14.770 1.615 1.00 0.00 O ATOM 1269 CB ARG A 83 -12.269 15.054 -0.185 1.00 0.00 C ATOM 1270 CG ARG A 83 -13.534 14.457 -0.780 1.00 0.00 C ATOM 1271 CD ARG A 83 -13.587 14.655 -2.287 1.00 0.00 C ATOM 1272 NE ARG A 83 -14.794 14.076 -2.873 1.00 0.00 N ATOM 1273 CZ ARG A 83 -15.288 14.443 -4.050 1.00 0.00 C ATOM 1274 NH1 ARG A 83 -14.683 15.382 -4.763 1.00 0.00 N ATOM 1275 NH2 ARG A 83 -16.390 13.869 -4.515 1.00 0.00 N ATOM 0 H ARG A 83 -11.353 13.087 1.708 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.882 13.711 -1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -12.485 15.411 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -11.975 15.922 -0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.579 13.393 -0.550 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -14.407 14.919 -0.320 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.549 15.720 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.708 14.200 -2.744 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.284 13.350 -2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -13.835 15.825 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.065 15.662 -5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -16.858 13.146 -3.969 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.769 14.151 -5.419 1.00 0.00 H new ATOM 1289 N ALA A 84 -9.092 15.387 -0.489 1.00 0.00 N ATOM 1290 CA ALA A 84 -7.878 16.099 -0.106 1.00 0.00 C ATOM 1291 C ALA A 84 -8.098 16.915 1.163 1.00 0.00 C ATOM 1292 O ALA A 84 -7.257 16.923 2.062 1.00 0.00 O ATOM 1293 CB ALA A 84 -7.414 16.999 -1.241 1.00 0.00 C ATOM 0 H ALA A 84 -9.292 15.402 -1.489 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.102 15.361 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.507 17.524 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -7.208 16.394 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.194 17.725 -1.472 1.00 0.00 H new ATOM 1299 N SER A 85 -9.234 17.602 1.230 1.00 0.00 N ATOM 1300 CA SER A 85 -9.563 18.426 2.388 1.00 0.00 C ATOM 1301 C SER A 85 -9.330 17.657 3.685 1.00 0.00 C ATOM 1302 O SER A 85 -8.814 18.204 4.661 1.00 0.00 O ATOM 1303 CB SER A 85 -11.018 18.893 2.312 1.00 0.00 C ATOM 1304 OG SER A 85 -11.243 19.673 1.151 1.00 0.00 O ATOM 0 H SER A 85 -9.942 17.604 0.496 1.00 0.00 H new ATOM 0 HA SER A 85 -8.909 19.298 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.681 18.028 2.307 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.263 19.477 3.199 1.00 0.00 H new ATOM 0 HG SER A 85 -12.180 19.958 1.125 1.00 0.00 H new ATOM 1310 N HIS A 86 -9.715 16.385 3.689 1.00 0.00 N ATOM 1311 CA HIS A 86 -9.549 15.539 4.865 1.00 0.00 C ATOM 1312 C HIS A 86 -8.194 14.838 4.843 1.00 0.00 C ATOM 1313 O HIS A 86 -7.859 14.140 3.886 1.00 0.00 O ATOM 1314 CB HIS A 86 -10.671 14.503 4.937 1.00 0.00 C ATOM 1315 CG HIS A 86 -12.018 15.053 4.583 1.00 0.00 C ATOM 1316 ND1 HIS A 86 -12.803 14.531 3.577 1.00 0.00 N ATOM 1317 CD2 HIS A 86 -12.719 16.086 5.107 1.00 0.00 C ATOM 1318 CE1 HIS A 86 -13.928 15.219 3.497 1.00 0.00 C ATOM 1319 NE2 HIS A 86 -13.902 16.168 4.415 1.00 0.00 N ATOM 0 H HIS A 86 -10.144 15.917 2.891 1.00 0.00 H new ATOM 0 HA HIS A 86 -9.595 16.175 5.749 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.436 13.678 4.264 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.710 14.091 5.945 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.406 16.726 5.918 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -14.732 15.036 2.800 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -14.641 16.851 4.583 1.00 0.00 H new ATOM 1327 N LYS A 87 -7.417 15.030 5.904 1.00 0.00 N ATOM 1328 CA LYS A 87 -6.098 14.417 6.008 1.00 0.00 C ATOM 1329 C LYS A 87 -6.208 12.962 6.453 1.00 0.00 C ATOM 1330 O LYS A 87 -7.074 12.595 7.248 1.00 0.00 O ATOM 1331 CB LYS A 87 -5.226 15.198 6.993 1.00 0.00 C ATOM 1332 CG LYS A 87 -5.321 16.705 6.828 1.00 0.00 C ATOM 1333 CD LYS A 87 -4.491 17.190 5.652 1.00 0.00 C ATOM 1334 CE LYS A 87 -5.296 17.187 4.361 1.00 0.00 C ATOM 1335 NZ LYS A 87 -5.982 18.489 4.132 1.00 0.00 N ATOM 0 H LYS A 87 -7.678 15.606 6.704 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.634 14.443 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.515 14.933 8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.187 14.892 6.867 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.363 16.991 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.981 17.194 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.128 18.198 5.853 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.614 16.552 5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.635 16.972 3.521 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.036 16.388 4.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.913 18.746 3.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.983 18.406 4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.530 19.226 4.710 1.00 0.00 H new ATOM 1349 N PRO A 88 -5.310 12.113 5.932 1.00 0.00 N ATOM 1350 CA PRO A 88 -5.285 10.685 6.263 1.00 0.00 C ATOM 1351 C PRO A 88 -4.838 10.431 7.699 1.00 0.00 C ATOM 1352 O PRO A 88 -3.805 10.939 8.138 1.00 0.00 O ATOM 1353 CB PRO A 88 -4.267 10.109 5.276 1.00 0.00 C ATOM 1354 CG PRO A 88 -3.379 11.256 4.936 1.00 0.00 C ATOM 1355 CD PRO A 88 -4.250 12.481 4.979 1.00 0.00 C ATOM 0 HA PRO A 88 -6.274 10.232 6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.703 9.290 5.722 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -4.758 9.711 4.388 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -2.557 11.337 5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.936 11.127 3.949 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.695 13.357 5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.658 12.719 3.997 1.00 0.00 H new ATOM 1363 N THR A 89 -5.621 9.642 8.427 1.00 0.00 N ATOM 1364 CA THR A 89 -5.306 9.321 9.813 1.00 0.00 C ATOM 1365 C THR A 89 -4.537 8.008 9.913 1.00 0.00 C ATOM 1366 O THR A 89 -4.534 7.207 8.978 1.00 0.00 O ATOM 1367 CB THR A 89 -6.581 9.222 10.671 1.00 0.00 C ATOM 1368 OG1 THR A 89 -7.497 8.292 10.082 1.00 0.00 O ATOM 1369 CG2 THR A 89 -7.249 10.582 10.807 1.00 0.00 C ATOM 0 H THR A 89 -6.479 9.213 8.079 1.00 0.00 H new ATOM 0 HA THR A 89 -4.685 10.133 10.191 1.00 0.00 H new ATOM 0 HB THR A 89 -6.298 8.873 11.664 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.304 8.234 10.634 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.147 10.487 11.417 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.560 11.280 11.282 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.519 10.955 9.819 1.00 0.00 H new ATOM 1377 N TYR A 90 -3.887 7.793 11.051 1.00 0.00 N ATOM 1378 CA TYR A 90 -3.114 6.577 11.272 1.00 0.00 C ATOM 1379 C TYR A 90 -4.032 5.377 11.483 1.00 0.00 C ATOM 1380 O TYR A 90 -3.758 4.280 10.999 1.00 0.00 O ATOM 1381 CB TYR A 90 -2.192 6.746 12.480 1.00 0.00 C ATOM 1382 CG TYR A 90 -1.070 7.734 12.253 1.00 0.00 C ATOM 1383 CD1 TYR A 90 -0.283 7.670 11.110 1.00 0.00 C ATOM 1384 CD2 TYR A 90 -0.798 8.733 13.180 1.00 0.00 C ATOM 1385 CE1 TYR A 90 0.744 8.570 10.898 1.00 0.00 C ATOM 1386 CE2 TYR A 90 0.225 9.638 12.976 1.00 0.00 C ATOM 1387 CZ TYR A 90 0.993 9.552 11.834 1.00 0.00 C ATOM 1388 OH TYR A 90 2.014 10.452 11.626 1.00 0.00 O ATOM 0 H TYR A 90 -3.880 8.445 11.835 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.509 6.396 10.384 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.784 7.072 13.335 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.765 5.777 12.739 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.477 6.904 10.374 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -1.397 8.803 14.076 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.348 8.505 10.005 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.422 10.409 13.707 1.00 0.00 H new ATOM 0 HH TYR A 90 2.840 10.107 12.024 1.00 0.00 H new ATOM 1398 N GLU A 91 -5.124 5.597 12.208 1.00 0.00 N ATOM 1399 CA GLU A 91 -6.084 4.534 12.484 1.00 0.00 C ATOM 1400 C GLU A 91 -6.525 3.851 11.193 1.00 0.00 C ATOM 1401 O GLU A 91 -6.369 2.641 11.034 1.00 0.00 O ATOM 1402 CB GLU A 91 -7.303 5.095 13.219 1.00 0.00 C ATOM 1403 CG GLU A 91 -8.222 4.024 13.781 1.00 0.00 C ATOM 1404 CD GLU A 91 -9.433 4.604 14.484 1.00 0.00 C ATOM 1405 OE1 GLU A 91 -10.311 5.161 13.793 1.00 0.00 O ATOM 1406 OE2 GLU A 91 -9.503 4.500 15.727 1.00 0.00 O ATOM 0 H GLU A 91 -5.366 6.501 12.615 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.595 3.794 13.118 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.963 5.734 14.034 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.870 5.726 12.535 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.554 3.374 12.971 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.664 3.402 14.481 1.00 0.00 H new ATOM 1413 N ASN A 92 -7.077 4.636 10.274 1.00 0.00 N ATOM 1414 CA ASN A 92 -7.543 4.108 8.997 1.00 0.00 C ATOM 1415 C ASN A 92 -6.406 3.420 8.246 1.00 0.00 C ATOM 1416 O ASN A 92 -6.554 2.292 7.772 1.00 0.00 O ATOM 1417 CB ASN A 92 -8.128 5.231 8.139 1.00 0.00 C ATOM 1418 CG ASN A 92 -9.603 5.456 8.410 1.00 0.00 C ATOM 1419 OD1 ASN A 92 -10.392 4.511 8.440 1.00 0.00 O ATOM 1420 ND2 ASN A 92 -9.983 6.713 8.608 1.00 0.00 N ATOM 0 H ASN A 92 -7.213 5.640 10.390 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.321 3.372 9.199 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -7.581 6.154 8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.987 4.991 7.085 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.963 6.926 8.794 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.295 7.465 8.574 1.00 0.00 H new ATOM 1427 N LEU A 93 -5.273 4.105 8.143 1.00 0.00 N ATOM 1428 CA LEU A 93 -4.110 3.560 7.451 1.00 0.00 C ATOM 1429 C LEU A 93 -3.847 2.120 7.879 1.00 0.00 C ATOM 1430 O LEU A 93 -3.938 1.196 7.071 1.00 0.00 O ATOM 1431 CB LEU A 93 -2.877 4.421 7.730 1.00 0.00 C ATOM 1432 CG LEU A 93 -1.546 3.873 7.213 1.00 0.00 C ATOM 1433 CD1 LEU A 93 -1.425 4.090 5.713 1.00 0.00 C ATOM 1434 CD2 LEU A 93 -0.381 4.527 7.943 1.00 0.00 C ATOM 0 H LEU A 93 -5.134 5.039 8.530 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.317 3.569 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.038 5.405 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.794 4.564 8.807 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.517 2.801 7.408 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.472 3.694 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.240 3.576 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.476 5.157 5.494 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.558 4.125 7.563 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.408 5.604 7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.458 4.320 9.010 1.00 0.00 H new ATOM 1446 N GLN A 94 -3.522 1.938 9.155 1.00 0.00 N ATOM 1447 CA GLN A 94 -3.247 0.610 9.691 1.00 0.00 C ATOM 1448 C GLN A 94 -4.180 -0.429 9.076 1.00 0.00 C ATOM 1449 O GLN A 94 -3.731 -1.418 8.497 1.00 0.00 O ATOM 1450 CB GLN A 94 -3.396 0.610 11.213 1.00 0.00 C ATOM 1451 CG GLN A 94 -2.506 -0.406 11.911 1.00 0.00 C ATOM 1452 CD GLN A 94 -3.010 -0.771 13.294 1.00 0.00 C ATOM 1453 OE1 GLN A 94 -3.684 0.023 13.951 1.00 0.00 O ATOM 1454 NE2 GLN A 94 -2.685 -1.977 13.743 1.00 0.00 N ATOM 0 H GLN A 94 -3.443 2.693 9.836 1.00 0.00 H new ATOM 0 HA GLN A 94 -2.221 0.347 9.434 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -3.164 1.605 11.593 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -4.436 0.406 11.468 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -2.443 -1.308 11.302 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -1.496 -0.004 11.991 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -2.125 -2.603 13.164 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.996 -2.278 14.667 1.00 0.00 H new ATOM 1463 N LYS A 95 -5.482 -0.198 9.207 1.00 0.00 N ATOM 1464 CA LYS A 95 -6.480 -1.112 8.665 1.00 0.00 C ATOM 1465 C LYS A 95 -6.205 -1.407 7.193 1.00 0.00 C ATOM 1466 O LYS A 95 -6.051 -2.563 6.801 1.00 0.00 O ATOM 1467 CB LYS A 95 -7.883 -0.521 8.824 1.00 0.00 C ATOM 1468 CG LYS A 95 -8.268 -0.250 10.268 1.00 0.00 C ATOM 1469 CD LYS A 95 -8.734 -1.516 10.967 1.00 0.00 C ATOM 1470 CE LYS A 95 -8.609 -1.396 12.479 1.00 0.00 C ATOM 1471 NZ LYS A 95 -7.191 -1.485 12.926 1.00 0.00 N ATOM 0 H LYS A 95 -5.871 0.615 9.684 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.421 -2.047 9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.942 0.410 8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.609 -1.206 8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -7.414 0.168 10.801 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.061 0.497 10.300 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -9.772 -1.719 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -8.144 -2.364 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -9.034 -0.446 12.805 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.190 -2.185 12.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -7.160 -1.638 13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -6.724 -2.280 12.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -6.697 -0.600 12.692 1.00 0.00 H new ATOM 1485 N SER A 96 -6.144 -0.354 6.385 1.00 0.00 N ATOM 1486 CA SER A 96 -5.889 -0.500 4.957 1.00 0.00 C ATOM 1487 C SER A 96 -4.791 -1.529 4.703 1.00 0.00 C ATOM 1488 O SER A 96 -4.927 -2.400 3.843 1.00 0.00 O ATOM 1489 CB SER A 96 -5.494 0.846 4.346 1.00 0.00 C ATOM 1490 OG SER A 96 -6.519 1.807 4.525 1.00 0.00 O ATOM 0 H SER A 96 -6.268 0.610 6.695 1.00 0.00 H new ATOM 0 HA SER A 96 -6.807 -0.849 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.573 1.202 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.290 0.721 3.283 1.00 0.00 H new ATOM 0 HG SER A 96 -6.740 2.215 3.662 1.00 0.00 H new ATOM 1496 N LEU A 97 -3.703 -1.421 5.457 1.00 0.00 N ATOM 1497 CA LEU A 97 -2.580 -2.341 5.316 1.00 0.00 C ATOM 1498 C LEU A 97 -3.011 -3.775 5.605 1.00 0.00 C ATOM 1499 O LEU A 97 -2.500 -4.720 5.005 1.00 0.00 O ATOM 1500 CB LEU A 97 -1.444 -1.938 6.257 1.00 0.00 C ATOM 1501 CG LEU A 97 -0.745 -0.615 5.939 1.00 0.00 C ATOM 1502 CD1 LEU A 97 -0.081 -0.050 7.184 1.00 0.00 C ATOM 1503 CD2 LEU A 97 0.276 -0.806 4.827 1.00 0.00 C ATOM 0 H LEU A 97 -3.574 -0.705 6.172 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.226 -2.288 4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.842 -1.881 7.270 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.696 -2.731 6.252 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.495 0.098 5.598 1.00 0.00 H new ATOM 0 HD11 LEU A 97 0.411 0.891 6.939 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.835 0.124 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.658 -0.760 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.764 0.145 4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.023 -1.535 5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.227 -1.165 3.929 1.00 0.00 H new ATOM 1515 N GLU A 98 -3.956 -3.929 6.528 1.00 0.00 N ATOM 1516 CA GLU A 98 -4.456 -5.249 6.895 1.00 0.00 C ATOM 1517 C GLU A 98 -5.374 -5.804 5.809 1.00 0.00 C ATOM 1518 O GLU A 98 -5.508 -7.018 5.657 1.00 0.00 O ATOM 1519 CB GLU A 98 -5.207 -5.181 8.227 1.00 0.00 C ATOM 1520 CG GLU A 98 -4.293 -5.076 9.436 1.00 0.00 C ATOM 1521 CD GLU A 98 -4.999 -5.421 10.733 1.00 0.00 C ATOM 1522 OE1 GLU A 98 -5.833 -6.350 10.726 1.00 0.00 O ATOM 1523 OE2 GLU A 98 -4.716 -4.761 11.755 1.00 0.00 O ATOM 0 H GLU A 98 -4.390 -3.157 7.034 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.601 -5.917 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.877 -4.322 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.830 -6.070 8.329 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.441 -5.743 9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.897 -4.062 9.501 1.00 0.00 H new ATOM 1530 N ALA A 99 -6.003 -4.907 5.058 1.00 0.00 N ATOM 1531 CA ALA A 99 -6.906 -5.306 3.985 1.00 0.00 C ATOM 1532 C ALA A 99 -6.135 -5.625 2.709 1.00 0.00 C ATOM 1533 O ALA A 99 -6.590 -6.410 1.878 1.00 0.00 O ATOM 1534 CB ALA A 99 -7.932 -4.213 3.726 1.00 0.00 C ATOM 0 H ALA A 99 -5.904 -3.898 5.173 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.427 -6.211 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.600 -4.524 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -8.512 -4.036 4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.420 -3.295 3.438 1.00 0.00 H new ATOM 1540 N MET A 100 -4.966 -5.010 2.559 1.00 0.00 N ATOM 1541 CA MET A 100 -4.133 -5.229 1.383 1.00 0.00 C ATOM 1542 C MET A 100 -3.456 -6.595 1.443 1.00 0.00 C ATOM 1543 O MET A 100 -3.685 -7.451 0.589 1.00 0.00 O ATOM 1544 CB MET A 100 -3.076 -4.129 1.268 1.00 0.00 C ATOM 1545 CG MET A 100 -2.011 -4.416 0.222 1.00 0.00 C ATOM 1546 SD MET A 100 -0.909 -3.015 -0.050 1.00 0.00 S ATOM 1547 CE MET A 100 -0.082 -2.921 1.536 1.00 0.00 C ATOM 0 H MET A 100 -4.575 -4.356 3.237 1.00 0.00 H new ATOM 0 HA MET A 100 -4.776 -5.199 0.503 1.00 0.00 H new ATOM 0 HB2 MET A 100 -3.568 -3.188 1.024 1.00 0.00 H new ATOM 0 HB3 MET A 100 -2.595 -3.996 2.237 1.00 0.00 H new ATOM 0 HG2 MET A 100 -1.424 -5.280 0.534 1.00 0.00 H new ATOM 0 HG3 MET A 100 -2.493 -4.682 -0.719 1.00 0.00 H new ATOM 0 HE1 MET A 100 -0.211 -1.923 1.955 1.00 0.00 H new ATOM 0 HE2 MET A 100 -0.511 -3.658 2.214 1.00 0.00 H new ATOM 0 HE3 MET A 100 0.981 -3.124 1.405 1.00 0.00 H new ATOM 1557 N LYS A 101 -2.622 -6.793 2.459 1.00 0.00 N ATOM 1558 CA LYS A 101 -1.912 -8.055 2.632 1.00 0.00 C ATOM 1559 C LYS A 101 -2.864 -9.238 2.489 1.00 0.00 C ATOM 1560 O LYS A 101 -2.592 -10.178 1.742 1.00 0.00 O ATOM 1561 CB LYS A 101 -1.231 -8.097 4.002 1.00 0.00 C ATOM 1562 CG LYS A 101 -2.203 -8.027 5.166 1.00 0.00 C ATOM 1563 CD LYS A 101 -1.475 -7.895 6.493 1.00 0.00 C ATOM 1564 CE LYS A 101 -2.266 -8.526 7.629 1.00 0.00 C ATOM 1565 NZ LYS A 101 -2.158 -10.011 7.621 1.00 0.00 N ATOM 0 H LYS A 101 -2.421 -6.095 3.175 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.152 -8.126 1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.648 -9.015 4.081 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.529 -7.266 4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.873 -7.178 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.823 -8.923 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.497 -8.371 6.421 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.302 -6.841 6.711 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.904 -8.141 8.582 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.314 -8.237 7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.981 -10.422 8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.129 -10.352 6.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.288 -10.298 8.113 1.00 0.00 H new ATOM 1579 N SER A 102 -3.981 -9.184 3.208 1.00 0.00 N ATOM 1580 CA SER A 102 -4.971 -10.253 3.162 1.00 0.00 C ATOM 1581 C SER A 102 -5.158 -10.761 1.736 1.00 0.00 C ATOM 1582 O SER A 102 -5.336 -11.958 1.509 1.00 0.00 O ATOM 1583 CB SER A 102 -6.309 -9.761 3.719 1.00 0.00 C ATOM 1584 OG SER A 102 -7.225 -10.832 3.866 1.00 0.00 O ATOM 0 H SER A 102 -4.223 -8.412 3.829 1.00 0.00 H new ATOM 0 HA SER A 102 -4.609 -11.076 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 102 -6.150 -9.279 4.684 1.00 0.00 H new ATOM 0 HB3 SER A 102 -6.729 -9.008 3.052 1.00 0.00 H new ATOM 0 HG SER A 102 -8.071 -10.492 4.225 1.00 0.00 H new ATOM 1590 N HIS A 103 -5.115 -9.842 0.777 1.00 0.00 N ATOM 1591 CA HIS A 103 -5.278 -10.195 -0.629 1.00 0.00 C ATOM 1592 C HIS A 103 -4.054 -10.945 -1.146 1.00 0.00 C ATOM 1593 O HIS A 103 -4.180 -11.957 -1.837 1.00 0.00 O ATOM 1594 CB HIS A 103 -5.514 -8.939 -1.469 1.00 0.00 C ATOM 1595 CG HIS A 103 -5.982 -9.229 -2.862 1.00 0.00 C ATOM 1596 ND1 HIS A 103 -5.165 -9.122 -3.967 1.00 0.00 N ATOM 1597 CD2 HIS A 103 -7.190 -9.627 -3.325 1.00 0.00 C ATOM 1598 CE1 HIS A 103 -5.851 -9.439 -5.051 1.00 0.00 C ATOM 1599 NE2 HIS A 103 -7.082 -9.750 -4.689 1.00 0.00 N ATOM 0 H HIS A 103 -4.969 -8.847 0.948 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.146 -10.848 -0.716 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.252 -8.311 -0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -4.589 -8.365 -1.518 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -4.184 -8.842 -3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.074 -9.813 -2.733 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -5.470 -9.443 -6.061 1.00 0.00 H new ATOM 1607 N CYS A 104 -2.872 -10.441 -0.809 1.00 0.00 N ATOM 1608 CA CYS A 104 -1.625 -11.063 -1.241 1.00 0.00 C ATOM 1609 C CYS A 104 -1.652 -12.567 -0.992 1.00 0.00 C ATOM 1610 O CYS A 104 -1.582 -13.364 -1.929 1.00 0.00 O ATOM 1611 CB CYS A 104 -0.438 -10.434 -0.509 1.00 0.00 C ATOM 1612 SG CYS A 104 -0.155 -8.696 -0.919 1.00 0.00 S ATOM 0 H CYS A 104 -2.751 -9.604 -0.239 1.00 0.00 H new ATOM 0 HA CYS A 104 -1.515 -10.893 -2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -0.600 -10.521 0.565 1.00 0.00 H new ATOM 0 HB3 CYS A 104 0.462 -11.003 -0.743 1.00 0.00 H new ATOM 0 HG CYS A 104 -0.996 -8.324 -1.838 1.00 0.00 H new ATOM 1618 N LEU A 105 -1.752 -12.950 0.276 1.00 0.00 N ATOM 1619 CA LEU A 105 -1.787 -14.360 0.649 1.00 0.00 C ATOM 1620 C LEU A 105 -2.868 -15.103 -0.131 1.00 0.00 C ATOM 1621 O LEU A 105 -2.608 -16.142 -0.737 1.00 0.00 O ATOM 1622 CB LEU A 105 -2.036 -14.505 2.151 1.00 0.00 C ATOM 1623 CG LEU A 105 -1.142 -13.665 3.063 1.00 0.00 C ATOM 1624 CD1 LEU A 105 -1.758 -12.295 3.301 1.00 0.00 C ATOM 1625 CD2 LEU A 105 -0.904 -14.381 4.385 1.00 0.00 C ATOM 0 H LEU A 105 -1.810 -12.304 1.063 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.820 -14.799 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.075 -14.244 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.912 -15.554 2.420 1.00 0.00 H new ATOM 0 HG LEU A 105 -0.180 -13.528 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.107 -11.712 3.952 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.875 -11.778 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.734 -12.412 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.266 -13.768 5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.858 -14.550 4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.418 -15.338 4.198 1.00 0.00 H new ATOM 1637 N LYS A 106 -4.081 -14.562 -0.112 1.00 0.00 N ATOM 1638 CA LYS A 106 -5.202 -15.170 -0.820 1.00 0.00 C ATOM 1639 C LYS A 106 -4.772 -15.662 -2.198 1.00 0.00 C ATOM 1640 O LYS A 106 -4.893 -16.846 -2.510 1.00 0.00 O ATOM 1641 CB LYS A 106 -6.349 -14.167 -0.959 1.00 0.00 C ATOM 1642 CG LYS A 106 -7.243 -14.092 0.266 1.00 0.00 C ATOM 1643 CD LYS A 106 -8.270 -12.979 0.139 1.00 0.00 C ATOM 1644 CE LYS A 106 -9.539 -13.467 -0.543 1.00 0.00 C ATOM 1645 NZ LYS A 106 -10.647 -12.478 -0.426 1.00 0.00 N ATOM 0 H LYS A 106 -4.314 -13.703 0.386 1.00 0.00 H new ATOM 0 HA LYS A 106 -5.545 -16.026 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.934 -13.179 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -6.954 -14.438 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -7.753 -15.045 0.404 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -6.633 -13.926 1.154 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -8.513 -12.592 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.844 -12.153 -0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -9.334 -13.660 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.849 -14.413 -0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.494 -12.847 -0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.860 -12.313 0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.362 -11.583 -0.871 1.00 0.00 H new ATOM 1659 N ASN A 107 -4.269 -14.745 -3.019 1.00 0.00 N ATOM 1660 CA ASN A 107 -3.820 -15.087 -4.363 1.00 0.00 C ATOM 1661 C ASN A 107 -2.440 -15.736 -4.328 1.00 0.00 C ATOM 1662 O ASN A 107 -2.293 -16.923 -4.619 1.00 0.00 O ATOM 1663 CB ASN A 107 -3.786 -13.837 -5.245 1.00 0.00 C ATOM 1664 CG ASN A 107 -5.061 -13.022 -5.143 1.00 0.00 C ATOM 1665 OD1 ASN A 107 -5.083 -12.073 -4.215 1.00 0.00 O flip ATOM 1666 ND2 ASN A 107 -6.013 -13.244 -5.891 1.00 0.00 N flip ATOM 0 H ASN A 107 -4.162 -13.760 -2.777 1.00 0.00 H new ATOM 0 HA ASN A 107 -4.527 -15.802 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -2.937 -13.216 -4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -3.629 -14.132 -6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.951 -13.984 -6.590 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.864 -12.688 -5.812 1.00 0.00 H new ATOM 1673 N GLY A 108 -1.430 -14.949 -3.969 1.00 0.00 N ATOM 1674 CA GLY A 108 -0.076 -15.465 -3.901 1.00 0.00 C ATOM 1675 C GLY A 108 0.965 -14.399 -4.184 1.00 0.00 C ATOM 1676 O GLY A 108 1.925 -14.638 -4.917 1.00 0.00 O ATOM 0 H GLY A 108 -1.526 -13.963 -3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.100 -15.887 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.036 -16.278 -4.618 1.00 0.00 H new ATOM 1680 N VAL A 109 0.774 -13.219 -3.603 1.00 0.00 N ATOM 1681 CA VAL A 109 1.704 -12.113 -3.796 1.00 0.00 C ATOM 1682 C VAL A 109 2.701 -12.024 -2.646 1.00 0.00 C ATOM 1683 O VAL A 109 2.437 -11.383 -1.628 1.00 0.00 O ATOM 1684 CB VAL A 109 0.960 -10.770 -3.921 1.00 0.00 C ATOM 1685 CG1 VAL A 109 1.946 -9.629 -4.117 1.00 0.00 C ATOM 1686 CG2 VAL A 109 -0.044 -10.821 -5.063 1.00 0.00 C ATOM 0 H VAL A 109 -0.016 -13.004 -2.995 1.00 0.00 H new ATOM 0 HA VAL A 109 2.242 -12.311 -4.723 1.00 0.00 H new ATOM 0 HB VAL A 109 0.413 -10.590 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.402 -8.689 -4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.621 -9.581 -3.262 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.523 -9.799 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.560 -9.864 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.478 -11.024 -5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.770 -11.611 -4.874 1.00 0.00 H new ATOM 1696 N THR A 110 3.849 -12.673 -2.814 1.00 0.00 N ATOM 1697 CA THR A 110 4.886 -12.669 -1.790 1.00 0.00 C ATOM 1698 C THR A 110 5.805 -11.462 -1.943 1.00 0.00 C ATOM 1699 O THR A 110 6.504 -11.079 -1.005 1.00 0.00 O ATOM 1700 CB THR A 110 5.732 -13.954 -1.842 1.00 0.00 C ATOM 1701 OG1 THR A 110 6.680 -13.961 -0.769 1.00 0.00 O ATOM 1702 CG2 THR A 110 6.464 -14.067 -3.172 1.00 0.00 C ATOM 0 H THR A 110 4.084 -13.208 -3.650 1.00 0.00 H new ATOM 0 HA THR A 110 4.379 -12.616 -0.827 1.00 0.00 H new ATOM 0 HB THR A 110 5.062 -14.808 -1.740 1.00 0.00 H new ATOM 0 HG1 THR A 110 6.209 -13.856 0.084 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.055 -14.983 -3.185 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.739 -14.091 -3.985 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.123 -13.208 -3.299 1.00 0.00 H new ATOM 1710 N ASP A 111 5.799 -10.867 -3.131 1.00 0.00 N ATOM 1711 CA ASP A 111 6.632 -9.702 -3.407 1.00 0.00 C ATOM 1712 C ASP A 111 5.773 -8.460 -3.624 1.00 0.00 C ATOM 1713 O ASP A 111 4.785 -8.496 -4.358 1.00 0.00 O ATOM 1714 CB ASP A 111 7.507 -9.953 -4.635 1.00 0.00 C ATOM 1715 CG ASP A 111 8.287 -11.250 -4.535 1.00 0.00 C ATOM 1716 OD1 ASP A 111 8.570 -11.685 -3.400 1.00 0.00 O ATOM 1717 OD2 ASP A 111 8.614 -11.829 -5.592 1.00 0.00 O ATOM 0 H ASP A 111 5.227 -11.172 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 111 7.274 -9.532 -2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 111 6.879 -9.978 -5.526 1.00 0.00 H new ATOM 0 HB3 ASP A 111 8.202 -9.123 -4.758 1.00 0.00 H new ATOM 1722 N LEU A 112 6.155 -7.362 -2.980 1.00 0.00 N ATOM 1723 CA LEU A 112 5.420 -6.108 -3.102 1.00 0.00 C ATOM 1724 C LEU A 112 6.374 -4.919 -3.134 1.00 0.00 C ATOM 1725 O LEU A 112 7.499 -4.999 -2.640 1.00 0.00 O ATOM 1726 CB LEU A 112 4.436 -5.956 -1.941 1.00 0.00 C ATOM 1727 CG LEU A 112 3.211 -5.082 -2.209 1.00 0.00 C ATOM 1728 CD1 LEU A 112 2.309 -5.731 -3.248 1.00 0.00 C ATOM 1729 CD2 LEU A 112 2.444 -4.828 -0.920 1.00 0.00 C ATOM 0 H LEU A 112 6.970 -7.315 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 112 4.865 -6.130 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.092 -6.949 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.973 -5.542 -1.088 1.00 0.00 H new ATOM 0 HG LEU A 112 3.552 -4.124 -2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.442 -5.094 -3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 112 2.861 -5.861 -4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.977 -6.703 -2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.575 -4.204 -1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.115 -5.778 -0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.091 -4.320 -0.206 1.00 0.00 H new ATOM 1741 N SER A 113 5.916 -3.815 -3.716 1.00 0.00 N ATOM 1742 CA SER A 113 6.730 -2.609 -3.814 1.00 0.00 C ATOM 1743 C SER A 113 5.866 -1.359 -3.677 1.00 0.00 C ATOM 1744 O SER A 113 4.766 -1.288 -4.224 1.00 0.00 O ATOM 1745 CB SER A 113 7.479 -2.580 -5.147 1.00 0.00 C ATOM 1746 OG SER A 113 8.626 -3.412 -5.106 1.00 0.00 O ATOM 0 H SER A 113 4.986 -3.731 -4.127 1.00 0.00 H new ATOM 0 HA SER A 113 7.454 -2.622 -2.999 1.00 0.00 H new ATOM 0 HB2 SER A 113 6.816 -2.909 -5.947 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.776 -1.557 -5.379 1.00 0.00 H new ATOM 0 HG SER A 113 8.583 -3.989 -4.315 1.00 0.00 H new ATOM 1752 N MET A 114 6.373 -0.375 -2.940 1.00 0.00 N ATOM 1753 CA MET A 114 5.649 0.873 -2.731 1.00 0.00 C ATOM 1754 C MET A 114 6.612 2.016 -2.423 1.00 0.00 C ATOM 1755 O MET A 114 7.490 1.905 -1.568 1.00 0.00 O ATOM 1756 CB MET A 114 4.641 0.719 -1.590 1.00 0.00 C ATOM 1757 CG MET A 114 5.271 0.274 -0.280 1.00 0.00 C ATOM 1758 SD MET A 114 4.053 0.014 1.024 1.00 0.00 S ATOM 1759 CE MET A 114 3.431 -1.608 0.589 1.00 0.00 C ATOM 0 H MET A 114 7.281 -0.418 -2.478 1.00 0.00 H new ATOM 0 HA MET A 114 5.113 1.110 -3.650 1.00 0.00 H new ATOM 0 HB2 MET A 114 4.132 1.670 -1.435 1.00 0.00 H new ATOM 0 HB3 MET A 114 3.881 -0.005 -1.883 1.00 0.00 H new ATOM 0 HG2 MET A 114 5.825 -0.650 -0.443 1.00 0.00 H new ATOM 0 HG3 MET A 114 5.991 1.024 0.046 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.372 -1.537 0.342 1.00 0.00 H new ATOM 0 HE2 MET A 114 3.980 -1.989 -0.272 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.563 -2.286 1.432 1.00 0.00 H new ATOM 1769 N PRO A 115 6.445 3.140 -3.136 1.00 0.00 N ATOM 1770 CA PRO A 115 7.291 4.324 -2.956 1.00 0.00 C ATOM 1771 C PRO A 115 7.041 5.016 -1.621 1.00 0.00 C ATOM 1772 O PRO A 115 6.357 4.479 -0.750 1.00 0.00 O ATOM 1773 CB PRO A 115 6.878 5.233 -4.116 1.00 0.00 C ATOM 1774 CG PRO A 115 5.486 4.818 -4.447 1.00 0.00 C ATOM 1775 CD PRO A 115 5.418 3.342 -4.172 1.00 0.00 C ATOM 0 HA PRO A 115 8.351 4.072 -2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 115 6.920 6.284 -3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 115 7.542 5.109 -4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 115 4.762 5.362 -3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 115 5.253 5.032 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 115 4.430 3.044 -3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 115 5.629 2.756 -5.067 1.00 0.00 H new ATOM 1783 N ARG A 116 7.600 6.212 -1.467 1.00 0.00 N ATOM 1784 CA ARG A 116 7.439 6.978 -0.237 1.00 0.00 C ATOM 1785 C ARG A 116 6.056 7.620 -0.174 1.00 0.00 C ATOM 1786 O ARG A 116 5.658 8.350 -1.082 1.00 0.00 O ATOM 1787 CB ARG A 116 8.518 8.057 -0.137 1.00 0.00 C ATOM 1788 CG ARG A 116 9.908 7.505 0.134 1.00 0.00 C ATOM 1789 CD ARG A 116 10.919 8.620 0.347 1.00 0.00 C ATOM 1790 NE ARG A 116 11.164 9.378 -0.877 1.00 0.00 N ATOM 1791 CZ ARG A 116 12.180 10.220 -1.030 1.00 0.00 C ATOM 1792 NH1 ARG A 116 13.041 10.411 -0.040 1.00 0.00 N ATOM 1793 NH2 ARG A 116 12.336 10.873 -2.174 1.00 0.00 N ATOM 0 H ARG A 116 8.168 6.671 -2.179 1.00 0.00 H new ATOM 0 HA ARG A 116 7.542 6.292 0.604 1.00 0.00 H new ATOM 0 HB2 ARG A 116 8.537 8.627 -1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 116 8.251 8.753 0.658 1.00 0.00 H new ATOM 0 HG2 ARG A 116 9.881 6.864 1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 116 10.223 6.882 -0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 116 10.558 9.293 1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 116 11.857 8.195 0.704 1.00 0.00 H new ATOM 0 HE ARG A 116 10.519 9.254 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 116 12.924 9.911 0.841 1.00 0.00 H new ATOM 0 HH12 ARG A 116 13.820 11.058 -0.160 1.00 0.00 H new ATOM 0 HH21 ARG A 116 11.675 10.729 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 116 13.117 11.519 -2.290 1.00 0.00 H new ATOM 1807 N ILE A 117 5.329 7.343 0.904 1.00 0.00 N ATOM 1808 CA ILE A 117 3.992 7.894 1.085 1.00 0.00 C ATOM 1809 C ILE A 117 3.938 8.822 2.293 1.00 0.00 C ATOM 1810 O ILE A 117 4.543 8.546 3.328 1.00 0.00 O ATOM 1811 CB ILE A 117 2.943 6.779 1.261 1.00 0.00 C ATOM 1812 CG1 ILE A 117 3.309 5.887 2.448 1.00 0.00 C ATOM 1813 CG2 ILE A 117 2.828 5.955 -0.013 1.00 0.00 C ATOM 1814 CD1 ILE A 117 2.294 4.801 2.724 1.00 0.00 C ATOM 0 H ILE A 117 5.644 6.741 1.665 1.00 0.00 H new ATOM 0 HA ILE A 117 3.760 8.462 0.184 1.00 0.00 H new ATOM 0 HB ILE A 117 1.975 7.239 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 117 4.279 5.427 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 117 3.417 6.507 3.338 1.00 0.00 H new ATOM 0 HG21 ILE A 117 2.083 5.171 0.127 1.00 0.00 H new ATOM 0 HG22 ILE A 117 2.525 6.600 -0.838 1.00 0.00 H new ATOM 0 HG23 ILE A 117 3.793 5.502 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 117 2.619 4.208 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 117 1.327 5.254 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 117 2.203 4.157 1.849 1.00 0.00 H new ATOM 1925 N GLN A 125 4.112 11.303 8.582 1.00 0.00 N ATOM 1926 CA GLN A 125 5.553 11.103 8.675 1.00 0.00 C ATOM 1927 C GLN A 125 5.923 9.656 8.369 1.00 0.00 C ATOM 1928 O GLN A 125 5.471 8.733 9.047 1.00 0.00 O ATOM 1929 CB GLN A 125 6.053 11.486 10.069 1.00 0.00 C ATOM 1930 CG GLN A 125 6.100 12.987 10.308 1.00 0.00 C ATOM 1931 CD GLN A 125 7.374 13.622 9.787 1.00 0.00 C ATOM 1932 OE1 GLN A 125 8.301 12.928 9.369 1.00 0.00 O ATOM 1933 NE2 GLN A 125 7.427 14.948 9.810 1.00 0.00 N ATOM 0 HA GLN A 125 6.032 11.745 7.936 1.00 0.00 H new ATOM 0 HB2 GLN A 125 5.406 11.028 10.817 1.00 0.00 H new ATOM 0 HB3 GLN A 125 7.051 11.072 10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 125 5.242 13.455 9.825 1.00 0.00 H new ATOM 0 HG3 GLN A 125 6.011 13.184 11.376 1.00 0.00 H new ATOM 0 HE21 GLN A 125 6.635 15.484 10.165 1.00 0.00 H new ATOM 0 HE22 GLN A 125 8.260 15.431 9.473 1.00 0.00 H new ATOM 1942 N TRP A 126 6.747 9.465 7.345 1.00 0.00 N ATOM 1943 CA TRP A 126 7.177 8.129 6.949 1.00 0.00 C ATOM 1944 C TRP A 126 7.542 7.291 8.169 1.00 0.00 C ATOM 1945 O TRP A 126 7.242 6.099 8.226 1.00 0.00 O ATOM 1946 CB TRP A 126 8.372 8.216 5.999 1.00 0.00 C ATOM 1947 CG TRP A 126 8.979 6.883 5.683 1.00 0.00 C ATOM 1948 CD1 TRP A 126 10.212 6.433 6.061 1.00 0.00 C ATOM 1949 CD2 TRP A 126 8.381 5.828 4.922 1.00 0.00 C ATOM 1950 NE1 TRP A 126 10.415 5.161 5.582 1.00 0.00 N ATOM 1951 CE2 TRP A 126 9.307 4.767 4.880 1.00 0.00 C ATOM 1952 CE3 TRP A 126 7.152 5.675 4.274 1.00 0.00 C ATOM 1953 CZ2 TRP A 126 9.041 3.573 4.215 1.00 0.00 C ATOM 1954 CZ3 TRP A 126 6.890 4.489 3.614 1.00 0.00 C ATOM 1955 CH2 TRP A 126 7.831 3.451 3.589 1.00 0.00 C ATOM 0 H TRP A 126 7.131 10.218 6.774 1.00 0.00 H new ATOM 0 HA TRP A 126 6.347 7.645 6.434 1.00 0.00 H new ATOM 0 HB2 TRP A 126 8.055 8.692 5.071 1.00 0.00 H new ATOM 0 HB3 TRP A 126 9.133 8.858 6.442 1.00 0.00 H new ATOM 0 HD1 TRP A 126 10.923 6.994 6.650 1.00 0.00 H new ATOM 0 HE1 TRP A 126 11.255 4.601 5.726 1.00 0.00 H new ATOM 0 HE3 TRP A 126 6.420 6.469 4.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 126 9.765 2.771 4.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 126 5.944 4.360 3.109 1.00 0.00 H new ATOM 0 HH2 TRP A 126 7.596 2.536 3.065 1.00 0.00 H new ATOM 1966 N GLU A 127 8.190 7.922 9.143 1.00 0.00 N ATOM 1967 CA GLU A 127 8.595 7.232 10.362 1.00 0.00 C ATOM 1968 C GLU A 127 7.457 6.374 10.906 1.00 0.00 C ATOM 1969 O GLU A 127 7.656 5.214 11.264 1.00 0.00 O ATOM 1970 CB GLU A 127 9.040 8.241 11.422 1.00 0.00 C ATOM 1971 CG GLU A 127 9.885 7.631 12.528 1.00 0.00 C ATOM 1972 CD GLU A 127 10.795 8.644 13.194 1.00 0.00 C ATOM 1973 OE1 GLU A 127 10.295 9.716 13.594 1.00 0.00 O ATOM 1974 OE2 GLU A 127 12.006 8.366 13.314 1.00 0.00 O ATOM 0 H GLU A 127 8.446 8.909 9.112 1.00 0.00 H new ATOM 0 HA GLU A 127 9.433 6.580 10.118 1.00 0.00 H new ATOM 0 HB2 GLU A 127 9.608 9.036 10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 127 8.158 8.704 11.864 1.00 0.00 H new ATOM 0 HG2 GLU A 127 9.230 7.188 13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 127 10.488 6.823 12.115 1.00 0.00 H new ATOM 1981 N ASN A 128 6.262 6.954 10.965 1.00 0.00 N ATOM 1982 CA ASN A 128 5.091 6.244 11.466 1.00 0.00 C ATOM 1983 C ASN A 128 4.655 5.157 10.489 1.00 0.00 C ATOM 1984 O ASN A 128 4.588 3.980 10.843 1.00 0.00 O ATOM 1985 CB ASN A 128 3.940 7.223 11.705 1.00 0.00 C ATOM 1986 CG ASN A 128 4.099 7.999 12.999 1.00 0.00 C ATOM 1987 OD1 ASN A 128 4.460 9.271 12.884 1.00 0.00 O flip ATOM 1988 ND2 ASN A 128 3.900 7.460 14.087 1.00 0.00 N flip ATOM 0 H ASN A 128 6.080 7.914 10.672 1.00 0.00 H new ATOM 0 HA ASN A 128 5.359 5.771 12.411 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.882 7.922 10.870 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.999 6.674 11.727 1.00 0.00 H new ATOM 0 HD21 ASN A 128 3.624 6.479 14.127 1.00 0.00 H new ATOM 0 HD22 ASN A 128 4.011 7.994 14.949 1.00 0.00 H new ATOM 1995 N VAL A 129 4.360 5.559 9.257 1.00 0.00 N ATOM 1996 CA VAL A 129 3.931 4.620 8.228 1.00 0.00 C ATOM 1997 C VAL A 129 4.798 3.366 8.234 1.00 0.00 C ATOM 1998 O VAL A 129 4.298 2.254 8.407 1.00 0.00 O ATOM 1999 CB VAL A 129 3.983 5.260 6.828 1.00 0.00 C ATOM 2000 CG1 VAL A 129 3.573 4.252 5.765 1.00 0.00 C ATOM 2001 CG2 VAL A 129 3.096 6.494 6.774 1.00 0.00 C ATOM 0 H VAL A 129 4.410 6.530 8.947 1.00 0.00 H new ATOM 0 HA VAL A 129 2.901 4.347 8.457 1.00 0.00 H new ATOM 0 HB VAL A 129 5.009 5.569 6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 129 3.616 4.722 4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 129 4.253 3.400 5.790 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.556 3.911 5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.145 6.934 5.778 1.00 0.00 H new ATOM 0 HG22 VAL A 129 2.067 6.212 6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 129 3.440 7.222 7.509 1.00 0.00 H new ATOM 2011 N SER A 130 6.100 3.552 8.045 1.00 0.00 N ATOM 2012 CA SER A 130 7.038 2.435 8.025 1.00 0.00 C ATOM 2013 C SER A 130 6.804 1.509 9.215 1.00 0.00 C ATOM 2014 O SER A 130 6.757 0.288 9.065 1.00 0.00 O ATOM 2015 CB SER A 130 8.478 2.950 8.039 1.00 0.00 C ATOM 2016 OG SER A 130 8.724 3.743 9.188 1.00 0.00 O ATOM 0 H SER A 130 6.530 4.466 7.903 1.00 0.00 H new ATOM 0 HA SER A 130 6.872 1.869 7.108 1.00 0.00 H new ATOM 0 HB2 SER A 130 9.169 2.107 8.020 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.666 3.537 7.140 1.00 0.00 H new ATOM 0 HG SER A 130 8.286 4.614 9.085 1.00 0.00 H new ATOM 2022 N ALA A 131 6.659 2.100 10.396 1.00 0.00 N ATOM 2023 CA ALA A 131 6.429 1.329 11.612 1.00 0.00 C ATOM 2024 C ALA A 131 5.158 0.494 11.500 1.00 0.00 C ATOM 2025 O ALA A 131 5.116 -0.653 11.945 1.00 0.00 O ATOM 2026 CB ALA A 131 6.350 2.255 12.817 1.00 0.00 C ATOM 0 H ALA A 131 6.697 3.110 10.537 1.00 0.00 H new ATOM 0 HA ALA A 131 7.269 0.648 11.745 1.00 0.00 H new ATOM 0 HB1 ALA A 131 6.178 1.666 13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 131 7.286 2.804 12.916 1.00 0.00 H new ATOM 0 HB3 ALA A 131 5.529 2.959 12.682 1.00 0.00 H new ATOM 2032 N MET A 132 4.123 1.077 10.904 1.00 0.00 N ATOM 2033 CA MET A 132 2.850 0.385 10.734 1.00 0.00 C ATOM 2034 C MET A 132 3.023 -0.869 9.884 1.00 0.00 C ATOM 2035 O MET A 132 2.509 -1.936 10.223 1.00 0.00 O ATOM 2036 CB MET A 132 1.822 1.316 10.088 1.00 0.00 C ATOM 2037 CG MET A 132 1.001 2.106 11.094 1.00 0.00 C ATOM 2038 SD MET A 132 1.891 3.531 11.750 1.00 0.00 S ATOM 2039 CE MET A 132 0.674 4.825 11.520 1.00 0.00 C ATOM 0 H MET A 132 4.140 2.026 10.531 1.00 0.00 H new ATOM 0 HA MET A 132 2.491 0.088 11.719 1.00 0.00 H new ATOM 0 HB2 MET A 132 2.339 2.012 9.427 1.00 0.00 H new ATOM 0 HB3 MET A 132 1.149 0.725 9.466 1.00 0.00 H new ATOM 0 HG2 MET A 132 0.080 2.445 10.620 1.00 0.00 H new ATOM 0 HG3 MET A 132 0.714 1.451 11.917 1.00 0.00 H new ATOM 0 HE1 MET A 132 0.753 5.547 12.332 1.00 0.00 H new ATOM 0 HE2 MET A 132 0.852 5.327 10.569 1.00 0.00 H new ATOM 0 HE3 MET A 132 -0.325 4.389 11.518 1.00 0.00 H new ATOM 2049 N ILE A 133 3.749 -0.735 8.779 1.00 0.00 N ATOM 2050 CA ILE A 133 3.989 -1.858 7.882 1.00 0.00 C ATOM 2051 C ILE A 133 4.719 -2.988 8.599 1.00 0.00 C ATOM 2052 O ILE A 133 4.610 -4.152 8.216 1.00 0.00 O ATOM 2053 CB ILE A 133 4.811 -1.430 6.651 1.00 0.00 C ATOM 2054 CG1 ILE A 133 4.074 -0.337 5.874 1.00 0.00 C ATOM 2055 CG2 ILE A 133 5.088 -2.629 5.757 1.00 0.00 C ATOM 2056 CD1 ILE A 133 4.931 0.343 4.829 1.00 0.00 C ATOM 0 H ILE A 133 4.181 0.140 8.484 1.00 0.00 H new ATOM 0 HA ILE A 133 3.013 -2.212 7.551 1.00 0.00 H new ATOM 0 HB ILE A 133 5.765 -1.027 6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 133 3.201 -0.773 5.389 1.00 0.00 H new ATOM 0 HG13 ILE A 133 3.708 0.412 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 133 5.669 -2.311 4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 133 5.649 -3.378 6.316 1.00 0.00 H new ATOM 0 HG23 ILE A 133 4.144 -3.059 5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 133 4.344 1.106 4.317 1.00 0.00 H new ATOM 0 HD12 ILE A 133 5.791 0.809 5.310 1.00 0.00 H new ATOM 0 HD13 ILE A 133 5.276 -0.395 4.105 1.00 0.00 H new ATOM 2068 N GLU A 134 5.463 -2.636 9.643 1.00 0.00 N ATOM 2069 CA GLU A 134 6.211 -3.621 10.415 1.00 0.00 C ATOM 2070 C GLU A 134 5.279 -4.432 11.311 1.00 0.00 C ATOM 2071 O GLU A 134 5.283 -5.662 11.275 1.00 0.00 O ATOM 2072 CB GLU A 134 7.281 -2.932 11.264 1.00 0.00 C ATOM 2073 CG GLU A 134 8.293 -2.146 10.447 1.00 0.00 C ATOM 2074 CD GLU A 134 9.644 -2.049 11.129 1.00 0.00 C ATOM 2075 OE1 GLU A 134 10.060 -3.041 11.764 1.00 0.00 O ATOM 2076 OE2 GLU A 134 10.285 -0.982 11.028 1.00 0.00 O ATOM 0 H GLU A 134 5.564 -1.676 9.973 1.00 0.00 H new ATOM 0 HA GLU A 134 6.696 -4.301 9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 134 6.795 -2.259 11.970 1.00 0.00 H new ATOM 0 HB3 GLU A 134 7.807 -3.684 11.852 1.00 0.00 H new ATOM 0 HG2 GLU A 134 8.415 -2.620 9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 134 7.908 -1.142 10.267 1.00 0.00 H new ATOM 2083 N GLU A 135 4.483 -3.732 12.113 1.00 0.00 N ATOM 2084 CA GLU A 135 3.547 -4.387 13.020 1.00 0.00 C ATOM 2085 C GLU A 135 2.479 -5.149 12.241 1.00 0.00 C ATOM 2086 O GLU A 135 2.018 -6.207 12.671 1.00 0.00 O ATOM 2087 CB GLU A 135 2.886 -3.356 13.938 1.00 0.00 C ATOM 2088 CG GLU A 135 2.178 -2.240 13.189 1.00 0.00 C ATOM 2089 CD GLU A 135 1.396 -1.324 14.110 1.00 0.00 C ATOM 2090 OE1 GLU A 135 0.867 -1.818 15.128 1.00 0.00 O ATOM 2091 OE2 GLU A 135 1.312 -0.114 13.814 1.00 0.00 O ATOM 0 H GLU A 135 4.467 -2.713 12.153 1.00 0.00 H new ATOM 0 HA GLU A 135 4.106 -5.098 13.628 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.167 -3.863 14.582 1.00 0.00 H new ATOM 0 HB3 GLU A 135 3.645 -2.921 14.588 1.00 0.00 H new ATOM 0 HG2 GLU A 135 2.913 -1.654 12.638 1.00 0.00 H new ATOM 0 HG3 GLU A 135 1.501 -2.674 12.453 1.00 0.00 H new ATOM 2098 N VAL A 136 2.090 -4.604 11.093 1.00 0.00 N ATOM 2099 CA VAL A 136 1.077 -5.233 10.253 1.00 0.00 C ATOM 2100 C VAL A 136 1.615 -6.498 9.595 1.00 0.00 C ATOM 2101 O VAL A 136 0.945 -7.530 9.568 1.00 0.00 O ATOM 2102 CB VAL A 136 0.580 -4.270 9.158 1.00 0.00 C ATOM 2103 CG1 VAL A 136 -0.334 -4.996 8.183 1.00 0.00 C ATOM 2104 CG2 VAL A 136 -0.132 -3.078 9.781 1.00 0.00 C ATOM 0 H VAL A 136 2.461 -3.729 10.723 1.00 0.00 H new ATOM 0 HA VAL A 136 0.243 -5.493 10.905 1.00 0.00 H new ATOM 0 HB VAL A 136 1.443 -3.901 8.604 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -0.675 -4.300 7.417 1.00 0.00 H new ATOM 0 HG12 VAL A 136 0.212 -5.814 7.713 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -1.195 -5.395 8.720 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -0.477 -2.408 8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -0.987 -3.427 10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 136 0.557 -2.544 10.436 1.00 0.00 H new ATOM 2114 N PHE A 137 2.831 -6.411 9.066 1.00 0.00 N ATOM 2115 CA PHE A 137 3.461 -7.550 8.407 1.00 0.00 C ATOM 2116 C PHE A 137 4.326 -8.335 9.388 1.00 0.00 C ATOM 2117 O PHE A 137 4.914 -9.356 9.032 1.00 0.00 O ATOM 2118 CB PHE A 137 4.311 -7.076 7.226 1.00 0.00 C ATOM 2119 CG PHE A 137 3.499 -6.668 6.030 1.00 0.00 C ATOM 2120 CD1 PHE A 137 2.841 -5.449 6.006 1.00 0.00 C ATOM 2121 CD2 PHE A 137 3.396 -7.502 4.929 1.00 0.00 C ATOM 2122 CE1 PHE A 137 2.093 -5.071 4.907 1.00 0.00 C ATOM 2123 CE2 PHE A 137 2.650 -7.130 3.826 1.00 0.00 C ATOM 2124 CZ PHE A 137 1.999 -5.912 3.815 1.00 0.00 C ATOM 0 H PHE A 137 3.400 -5.564 9.081 1.00 0.00 H new ATOM 0 HA PHE A 137 2.673 -8.207 8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 137 4.923 -6.232 7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 137 4.994 -7.874 6.936 1.00 0.00 H new ATOM 0 HD1 PHE A 137 2.913 -4.787 6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 137 3.905 -8.455 4.932 1.00 0.00 H new ATOM 0 HE1 PHE A 137 1.583 -4.119 4.902 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.576 -7.791 2.975 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.417 -5.617 2.954 1.00 0.00 H new ATOM 2134 N GLU A 138 4.399 -7.850 10.624 1.00 0.00 N ATOM 2135 CA GLU A 138 5.194 -8.506 11.656 1.00 0.00 C ATOM 2136 C GLU A 138 5.019 -10.021 11.596 1.00 0.00 C ATOM 2137 O GLU A 138 5.923 -10.775 11.955 1.00 0.00 O ATOM 2138 CB GLU A 138 4.798 -7.990 13.040 1.00 0.00 C ATOM 2139 CG GLU A 138 3.476 -8.547 13.543 1.00 0.00 C ATOM 2140 CD GLU A 138 3.045 -7.929 14.859 1.00 0.00 C ATOM 2141 OE1 GLU A 138 3.929 -7.577 15.667 1.00 0.00 O ATOM 2142 OE2 GLU A 138 1.823 -7.799 15.080 1.00 0.00 O ATOM 0 H GLU A 138 3.918 -7.006 10.935 1.00 0.00 H new ATOM 0 HA GLU A 138 6.243 -8.271 11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 138 5.584 -8.244 13.752 1.00 0.00 H new ATOM 0 HB3 GLU A 138 4.736 -6.902 13.009 1.00 0.00 H new ATOM 0 HG2 GLU A 138 2.704 -8.372 12.794 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.564 -9.627 13.664 1.00 0.00 H new ATOM 2149 N ALA A 139 3.849 -10.458 11.141 1.00 0.00 N ATOM 2150 CA ALA A 139 3.555 -11.882 11.033 1.00 0.00 C ATOM 2151 C ALA A 139 3.024 -12.229 9.646 1.00 0.00 C ATOM 2152 O ALA A 139 1.911 -12.737 9.505 1.00 0.00 O ATOM 2153 CB ALA A 139 2.556 -12.297 12.102 1.00 0.00 C ATOM 0 H ALA A 139 3.090 -9.847 10.841 1.00 0.00 H new ATOM 0 HA ALA A 139 4.483 -12.432 11.186 1.00 0.00 H new ATOM 0 HB1 ALA A 139 2.346 -13.363 12.009 1.00 0.00 H new ATOM 0 HB2 ALA A 139 2.973 -12.094 13.088 1.00 0.00 H new ATOM 0 HB3 ALA A 139 1.632 -11.733 11.975 1.00 0.00 H new ATOM 2159 N THR A 140 3.827 -11.951 8.623 1.00 0.00 N ATOM 2160 CA THR A 140 3.436 -12.232 7.248 1.00 0.00 C ATOM 2161 C THR A 140 4.618 -12.749 6.436 1.00 0.00 C ATOM 2162 O THR A 140 5.775 -12.492 6.771 1.00 0.00 O ATOM 2163 CB THR A 140 2.864 -10.979 6.559 1.00 0.00 C ATOM 2164 OG1 THR A 140 3.748 -9.868 6.750 1.00 0.00 O ATOM 2165 CG2 THR A 140 1.488 -10.639 7.110 1.00 0.00 C ATOM 0 H THR A 140 4.752 -11.532 8.722 1.00 0.00 H new ATOM 0 HA THR A 140 2.663 -12.999 7.290 1.00 0.00 H new ATOM 0 HB THR A 140 2.770 -11.189 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 140 4.331 -10.042 7.519 1.00 0.00 H new ATOM 0 HG21 THR A 140 1.104 -9.751 6.608 1.00 0.00 H new ATOM 0 HG22 THR A 140 0.810 -11.475 6.937 1.00 0.00 H new ATOM 0 HG23 THR A 140 1.562 -10.448 8.181 1.00 0.00 H new ATOM 2173 N ASP A 141 4.321 -13.480 5.367 1.00 0.00 N ATOM 2174 CA ASP A 141 5.360 -14.032 4.505 1.00 0.00 C ATOM 2175 C ASP A 141 5.512 -13.201 3.235 1.00 0.00 C ATOM 2176 O ASP A 141 5.880 -13.721 2.182 1.00 0.00 O ATOM 2177 CB ASP A 141 5.036 -15.483 4.145 1.00 0.00 C ATOM 2178 CG ASP A 141 5.086 -16.403 5.348 1.00 0.00 C ATOM 2179 OD1 ASP A 141 4.520 -16.038 6.400 1.00 0.00 O ATOM 2180 OD2 ASP A 141 5.691 -17.490 5.238 1.00 0.00 O ATOM 0 H ASP A 141 3.369 -13.704 5.077 1.00 0.00 H new ATOM 0 HA ASP A 141 6.303 -14.003 5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 141 4.044 -15.530 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 141 5.743 -15.834 3.393 1.00 0.00 H new ATOM 2185 N ILE A 142 5.224 -11.908 3.342 1.00 0.00 N ATOM 2186 CA ILE A 142 5.328 -11.006 2.202 1.00 0.00 C ATOM 2187 C ILE A 142 6.464 -10.006 2.394 1.00 0.00 C ATOM 2188 O ILE A 142 6.710 -9.535 3.505 1.00 0.00 O ATOM 2189 CB ILE A 142 4.015 -10.236 1.972 1.00 0.00 C ATOM 2190 CG1 ILE A 142 2.857 -11.212 1.754 1.00 0.00 C ATOM 2191 CG2 ILE A 142 4.153 -9.296 0.783 1.00 0.00 C ATOM 2192 CD1 ILE A 142 1.499 -10.616 2.056 1.00 0.00 C ATOM 0 H ILE A 142 4.917 -11.462 4.206 1.00 0.00 H new ATOM 0 HA ILE A 142 5.535 -11.624 1.328 1.00 0.00 H new ATOM 0 HB ILE A 142 3.801 -9.640 2.859 1.00 0.00 H new ATOM 0 HG12 ILE A 142 2.872 -11.556 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 142 3.008 -12.089 2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 142 3.216 -8.759 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 142 4.954 -8.582 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 142 4.387 -9.873 -0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 142 0.726 -11.364 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 142 1.465 -10.298 3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 142 1.327 -9.756 1.408 1.00 0.00 H new ATOM 2204 N LYS A 143 7.152 -9.685 1.304 1.00 0.00 N ATOM 2205 CA LYS A 143 8.260 -8.739 1.350 1.00 0.00 C ATOM 2206 C LYS A 143 7.916 -7.460 0.594 1.00 0.00 C ATOM 2207 O LYS A 143 7.342 -7.507 -0.495 1.00 0.00 O ATOM 2208 CB LYS A 143 9.522 -9.370 0.757 1.00 0.00 C ATOM 2209 CG LYS A 143 9.399 -9.703 -0.719 1.00 0.00 C ATOM 2210 CD LYS A 143 9.882 -8.557 -1.592 1.00 0.00 C ATOM 2211 CE LYS A 143 10.469 -9.061 -2.901 1.00 0.00 C ATOM 2212 NZ LYS A 143 11.040 -7.954 -3.716 1.00 0.00 N ATOM 0 H LYS A 143 6.962 -10.066 0.377 1.00 0.00 H new ATOM 0 HA LYS A 143 8.444 -8.485 2.394 1.00 0.00 H new ATOM 0 HB2 LYS A 143 10.360 -8.688 0.898 1.00 0.00 H new ATOM 0 HB3 LYS A 143 9.756 -10.281 1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 143 9.979 -10.599 -0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 143 8.359 -9.929 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 143 9.052 -7.882 -1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 143 10.634 -7.980 -1.053 1.00 0.00 H new ATOM 0 HE2 LYS A 143 11.246 -9.796 -2.691 1.00 0.00 H new ATOM 0 HE3 LYS A 143 9.694 -9.571 -3.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 11.430 -8.339 -4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 10.293 -7.265 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 11.797 -7.483 -3.180 1.00 0.00 H new ATOM 2226 N ILE A 144 8.269 -6.319 1.177 1.00 0.00 N ATOM 2227 CA ILE A 144 7.999 -5.029 0.556 1.00 0.00 C ATOM 2228 C ILE A 144 9.285 -4.232 0.361 1.00 0.00 C ATOM 2229 O ILE A 144 10.192 -4.282 1.193 1.00 0.00 O ATOM 2230 CB ILE A 144 7.014 -4.195 1.397 1.00 0.00 C ATOM 2231 CG1 ILE A 144 5.657 -4.897 1.479 1.00 0.00 C ATOM 2232 CG2 ILE A 144 6.861 -2.801 0.805 1.00 0.00 C ATOM 2233 CD1 ILE A 144 4.900 -4.601 2.754 1.00 0.00 C ATOM 0 H ILE A 144 8.743 -6.262 2.079 1.00 0.00 H new ATOM 0 HA ILE A 144 7.551 -5.234 -0.416 1.00 0.00 H new ATOM 0 HB ILE A 144 7.413 -4.098 2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 144 5.049 -4.595 0.626 1.00 0.00 H new ATOM 0 HG13 ILE A 144 5.808 -5.973 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 144 6.162 -2.223 1.410 1.00 0.00 H new ATOM 0 HG22 ILE A 144 7.830 -2.302 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 144 6.481 -2.878 -0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 144 3.948 -5.132 2.743 1.00 0.00 H new ATOM 0 HD12 ILE A 144 5.489 -4.929 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 144 4.717 -3.529 2.828 1.00 0.00 H new ATOM 2245 N THR A 145 9.357 -3.496 -0.743 1.00 0.00 N ATOM 2246 CA THR A 145 10.531 -2.687 -1.048 1.00 0.00 C ATOM 2247 C THR A 145 10.135 -1.266 -1.430 1.00 0.00 C ATOM 2248 O THR A 145 9.218 -1.058 -2.224 1.00 0.00 O ATOM 2249 CB THR A 145 11.356 -3.304 -2.193 1.00 0.00 C ATOM 2250 OG1 THR A 145 11.877 -4.576 -1.791 1.00 0.00 O ATOM 2251 CG2 THR A 145 12.500 -2.385 -2.592 1.00 0.00 C ATOM 0 H THR A 145 8.616 -3.443 -1.442 1.00 0.00 H new ATOM 0 HA THR A 145 11.140 -2.661 -0.145 1.00 0.00 H new ATOM 0 HB THR A 145 10.700 -3.436 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 145 12.399 -4.963 -2.525 1.00 0.00 H new ATOM 0 HG21 THR A 145 13.068 -2.842 -3.402 1.00 0.00 H new ATOM 0 HG22 THR A 145 12.099 -1.428 -2.925 1.00 0.00 H new ATOM 0 HG23 THR A 145 13.154 -2.225 -1.735 1.00 0.00 H new ATOM 2259 N VAL A 146 10.834 -0.289 -0.861 1.00 0.00 N ATOM 2260 CA VAL A 146 10.557 1.115 -1.144 1.00 0.00 C ATOM 2261 C VAL A 146 11.562 1.683 -2.139 1.00 0.00 C ATOM 2262 O VAL A 146 12.752 1.788 -1.843 1.00 0.00 O ATOM 2263 CB VAL A 146 10.587 1.963 0.142 1.00 0.00 C ATOM 2264 CG1 VAL A 146 10.397 3.436 -0.186 1.00 0.00 C ATOM 2265 CG2 VAL A 146 9.525 1.485 1.120 1.00 0.00 C ATOM 0 H VAL A 146 11.596 -0.444 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 146 9.557 1.160 -1.576 1.00 0.00 H new ATOM 0 HB VAL A 146 11.562 1.843 0.613 1.00 0.00 H new ATOM 0 HG11 VAL A 146 10.421 4.020 0.734 1.00 0.00 H new ATOM 0 HG12 VAL A 146 11.198 3.768 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 146 9.436 3.578 -0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 146 9.561 2.095 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 146 8.541 1.574 0.660 1.00 0.00 H new ATOM 0 HG23 VAL A 146 9.712 0.443 1.379 1.00 0.00 H new ATOM 2275 N TYR A 147 11.075 2.050 -3.319 1.00 0.00 N ATOM 2276 CA TYR A 147 11.931 2.607 -4.360 1.00 0.00 C ATOM 2277 C TYR A 147 11.948 4.131 -4.293 1.00 0.00 C ATOM 2278 O TYR A 147 10.904 4.771 -4.162 1.00 0.00 O ATOM 2279 CB TYR A 147 11.454 2.151 -5.740 1.00 0.00 C ATOM 2280 CG TYR A 147 11.668 0.677 -5.998 1.00 0.00 C ATOM 2281 CD1 TYR A 147 11.022 -0.284 -5.230 1.00 0.00 C ATOM 2282 CD2 TYR A 147 12.516 0.245 -7.010 1.00 0.00 C ATOM 2283 CE1 TYR A 147 11.215 -1.632 -5.462 1.00 0.00 C ATOM 2284 CE2 TYR A 147 12.715 -1.101 -7.250 1.00 0.00 C ATOM 2285 CZ TYR A 147 12.062 -2.036 -6.473 1.00 0.00 C ATOM 2286 OH TYR A 147 12.256 -3.378 -6.708 1.00 0.00 O ATOM 0 H TYR A 147 10.092 1.972 -3.579 1.00 0.00 H new ATOM 0 HA TYR A 147 12.945 2.243 -4.195 1.00 0.00 H new ATOM 0 HB2 TYR A 147 10.393 2.379 -5.842 1.00 0.00 H new ATOM 0 HB3 TYR A 147 11.978 2.725 -6.504 1.00 0.00 H new ATOM 0 HD1 TYR A 147 10.358 0.028 -4.438 1.00 0.00 H new ATOM 0 HD2 TYR A 147 13.029 0.974 -7.620 1.00 0.00 H new ATOM 0 HE1 TYR A 147 10.705 -2.366 -4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 147 13.378 -1.420 -8.041 1.00 0.00 H new ATOM 0 HH TYR A 147 12.880 -3.492 -7.455 1.00 0.00 H new ATOM 2296 N THR A 148 13.142 4.707 -4.385 1.00 0.00 N ATOM 2297 CA THR A 148 13.298 6.155 -4.335 1.00 0.00 C ATOM 2298 C THR A 148 14.274 6.641 -5.401 1.00 0.00 C ATOM 2299 O THR A 148 15.442 6.252 -5.411 1.00 0.00 O ATOM 2300 CB THR A 148 13.794 6.620 -2.952 1.00 0.00 C ATOM 2301 OG1 THR A 148 15.067 6.030 -2.665 1.00 0.00 O ATOM 2302 CG2 THR A 148 12.798 6.243 -1.866 1.00 0.00 C ATOM 0 H THR A 148 14.016 4.192 -4.495 1.00 0.00 H new ATOM 0 HA THR A 148 12.314 6.585 -4.524 1.00 0.00 H new ATOM 0 HB THR A 148 13.893 7.705 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 148 15.580 5.940 -3.495 1.00 0.00 H new ATOM 0 HG21 THR A 148 13.169 6.581 -0.899 1.00 0.00 H new ATOM 0 HG22 THR A 148 11.838 6.717 -2.072 1.00 0.00 H new ATOM 0 HG23 THR A 148 12.672 5.160 -1.848 1.00 0.00 H new ATOM 2310 N LEU A 149 13.787 7.492 -6.297 1.00 0.00 N ATOM 2311 CA LEU A 149 14.617 8.032 -7.369 1.00 0.00 C ATOM 2312 C LEU A 149 14.715 9.551 -7.269 1.00 0.00 C ATOM 2313 O LEU A 149 15.516 10.179 -7.962 1.00 0.00 O ATOM 2314 CB LEU A 149 14.047 7.635 -8.731 1.00 0.00 C ATOM 2315 CG LEU A 149 12.892 8.491 -9.251 1.00 0.00 C ATOM 2316 CD1 LEU A 149 12.784 8.380 -10.764 1.00 0.00 C ATOM 2317 CD2 LEU A 149 11.585 8.081 -8.590 1.00 0.00 C ATOM 0 H LEU A 149 12.822 7.823 -6.303 1.00 0.00 H new ATOM 0 HA LEU A 149 15.618 7.614 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 149 14.854 7.666 -9.463 1.00 0.00 H new ATOM 0 HB3 LEU A 149 13.709 6.600 -8.673 1.00 0.00 H new ATOM 0 HG LEU A 149 13.094 9.532 -8.997 1.00 0.00 H new ATOM 0 HD11 LEU A 149 11.956 8.996 -11.116 1.00 0.00 H new ATOM 0 HD12 LEU A 149 13.712 8.723 -11.221 1.00 0.00 H new ATOM 0 HD13 LEU A 149 12.606 7.341 -11.041 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.774 8.701 -8.972 1.00 0.00 H new ATOM 0 HD22 LEU A 149 11.377 7.034 -8.812 1.00 0.00 H new ATOM 0 HD23 LEU A 149 11.666 8.214 -7.511 1.00 0.00 H new