USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 815 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 94 SER OG : rot 169:sc= -0.0158 USER MOD Set 1.2: A 129 HIS : no HD1:sc= 0.499 K(o=0.48,f=-2.2) USER MOD Set 2.1: A 92 ASN : amide:sc= 0.234 K(o=0.47,f=-0.12) USER MOD Set 2.2: A 96 ASN : amide:sc= 0.235 K(o=0.47,f=-0.12) USER MOD Single : A 11 TYR OH : rot -57:sc= 1.04 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0568 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.86) USER MOD Single : A 17 HIS : no HD1:sc=-0.000394 X(o=-0.00039,f=0) USER MOD Single : A 20 GLN : amide:sc= 1.14 K(o=1.1,f=-0.026) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.372 K(o=-0.37,f=-1.9!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN :FLIP amide:sc= -0.404 F(o=-1.6!,f=-0.4) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 31:sc= -0.722 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 1.1 K(o=1.1,f=-0.055) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.276 X(o=-0.28,f=-0.00055) USER MOD Single : A 107 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.599) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -1.1 X(o=-1.1,f=-1) USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl 170:sc= -0.188 (180deg=-0.295) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HE2:sc= -0.466 X(o=-0.47,f=-0.95) USER MOD Single : A 123 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.19) USER MOD Single : A 124 SER OG : rot 79:sc= 0.307 USER MOD Single : A 127 SER OG : rot 85:sc= 1.22 USER MOD Single : A 130 ASN : amide:sc= -0.0286 X(o=-0.029,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 4.036 17.851 -4.204 1.00 0.00 N ATOM 110 CA TYR A 11 3.455 16.508 -4.118 1.00 0.00 C ATOM 111 C TYR A 11 3.055 16.145 -2.687 1.00 0.00 C ATOM 112 O TYR A 11 2.053 15.457 -2.478 1.00 0.00 O ATOM 113 CB TYR A 11 4.445 15.451 -4.634 1.00 0.00 C ATOM 114 CG TYR A 11 4.824 15.538 -6.101 1.00 0.00 C ATOM 115 CD1 TYR A 11 3.818 15.596 -7.083 1.00 0.00 C ATOM 116 CD2 TYR A 11 6.178 15.494 -6.490 1.00 0.00 C ATOM 117 CE1 TYR A 11 4.172 15.664 -8.443 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.535 15.582 -7.848 1.00 0.00 C ATOM 119 CZ TYR A 11 5.530 15.686 -8.835 1.00 0.00 C ATOM 120 OH TYR A 11 5.875 15.859 -10.144 1.00 0.00 O ATOM 0 HA TYR A 11 2.560 16.518 -4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.357 15.520 -4.041 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.018 14.465 -4.450 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.777 15.588 -6.794 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.948 15.392 -5.739 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.398 15.700 -9.195 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.576 15.570 -8.135 1.00 0.00 H new ATOM 0 HH TYR A 11 5.459 15.157 -10.687 1.00 0.00 H new ATOM 130 N SER A 12 3.818 16.617 -1.702 1.00 0.00 N ATOM 131 CA SER A 12 3.609 16.317 -0.296 1.00 0.00 C ATOM 132 C SER A 12 2.220 16.736 0.193 1.00 0.00 C ATOM 133 O SER A 12 1.638 16.027 1.013 1.00 0.00 O ATOM 134 CB SER A 12 4.727 16.967 0.521 1.00 0.00 C ATOM 135 OG SER A 12 5.133 18.227 -0.007 1.00 0.00 O ATOM 0 H SER A 12 4.615 17.232 -1.868 1.00 0.00 H new ATOM 0 HA SER A 12 3.648 15.236 -0.160 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.390 17.100 1.549 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.586 16.297 0.551 1.00 0.00 H new ATOM 0 HG SER A 12 5.847 18.601 0.551 1.00 0.00 H new ATOM 141 N GLN A 13 1.651 17.820 -0.347 1.00 0.00 N ATOM 142 CA GLN A 13 0.311 18.247 0.029 1.00 0.00 C ATOM 143 C GLN A 13 -0.697 17.152 -0.304 1.00 0.00 C ATOM 144 O GLN A 13 -1.491 16.795 0.556 1.00 0.00 O ATOM 145 CB GLN A 13 -0.103 19.530 -0.693 1.00 0.00 C ATOM 146 CG GLN A 13 0.767 20.753 -0.397 1.00 0.00 C ATOM 147 CD GLN A 13 0.178 21.948 -1.133 1.00 0.00 C ATOM 148 OE1 GLN A 13 0.354 22.070 -2.340 1.00 0.00 O ATOM 149 NE2 GLN A 13 -0.622 22.767 -0.471 1.00 0.00 N ATOM 0 H GLN A 13 2.102 18.412 -1.044 1.00 0.00 H new ATOM 0 HA GLN A 13 0.324 18.442 1.101 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.088 19.345 -1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.133 19.763 -0.424 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.799 20.946 0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.793 20.576 -0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.755 22.649 0.533 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.106 23.517 -0.965 1.00 0.00 H new ATOM 158 N ARG A 14 -0.677 16.618 -1.535 1.00 0.00 N ATOM 159 CA ARG A 14 -1.594 15.555 -1.961 1.00 0.00 C ATOM 160 C ARG A 14 -1.423 14.326 -1.077 1.00 0.00 C ATOM 161 O ARG A 14 -2.415 13.704 -0.717 1.00 0.00 O ATOM 162 CB ARG A 14 -1.361 15.166 -3.437 1.00 0.00 C ATOM 163 CG ARG A 14 -2.006 16.135 -4.439 1.00 0.00 C ATOM 164 CD ARG A 14 -1.825 15.647 -5.892 1.00 0.00 C ATOM 165 NE ARG A 14 -2.957 16.056 -6.752 1.00 0.00 N ATOM 166 CZ ARG A 14 -3.015 16.055 -8.092 1.00 0.00 C ATOM 167 NH1 ARG A 14 -1.981 15.678 -8.833 1.00 0.00 N ATOM 168 NH2 ARG A 14 -4.116 16.419 -8.729 1.00 0.00 N ATOM 0 H ARG A 14 -0.024 16.912 -2.261 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.610 15.937 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.289 15.121 -3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.757 14.165 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -3.068 16.236 -4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.562 17.124 -4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.896 16.048 -6.298 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.734 14.561 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.795 16.378 -6.267 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.115 15.379 -8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.052 15.687 -9.850 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -4.940 16.707 -8.200 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.141 16.412 -9.749 1.00 0.00 H new ATOM 182 N GLN A 15 -0.186 13.975 -0.718 1.00 0.00 N ATOM 183 CA GLN A 15 0.079 12.861 0.182 1.00 0.00 C ATOM 184 C GLN A 15 -0.660 13.093 1.494 1.00 0.00 C ATOM 185 O GLN A 15 -1.469 12.256 1.884 1.00 0.00 O ATOM 186 CB GLN A 15 1.588 12.683 0.409 1.00 0.00 C ATOM 187 CG GLN A 15 2.274 12.074 -0.819 1.00 0.00 C ATOM 188 CD GLN A 15 3.744 12.478 -0.890 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.503 12.391 0.072 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.178 12.934 -2.046 1.00 0.00 N ATOM 0 H GLN A 15 0.653 14.455 -1.043 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.284 11.937 -0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.039 13.649 0.637 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.753 12.042 1.275 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.195 10.988 -0.781 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.761 12.400 -1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.540 13.003 -2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.152 13.219 -2.149 1.00 0.00 H new ATOM 199 N ASP A 16 -0.402 14.216 2.169 1.00 0.00 N ATOM 200 CA ASP A 16 -0.960 14.467 3.497 1.00 0.00 C ATOM 201 C ASP A 16 -2.480 14.620 3.452 1.00 0.00 C ATOM 202 O ASP A 16 -3.184 14.133 4.333 1.00 0.00 O ATOM 203 CB ASP A 16 -0.273 15.663 4.161 1.00 0.00 C ATOM 204 CG ASP A 16 -0.104 15.374 5.649 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.059 15.559 6.435 1.00 0.00 O ATOM 206 OD2 ASP A 16 0.997 14.914 6.038 1.00 0.00 O ATOM 0 H ASP A 16 0.191 14.966 1.815 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.758 13.594 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 16 0.698 15.843 3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.867 16.566 4.018 1.00 0.00 H new ATOM 211 N HIS A 17 -3.005 15.218 2.379 1.00 0.00 N ATOM 212 CA HIS A 17 -4.433 15.290 2.088 1.00 0.00 C ATOM 213 C HIS A 17 -5.057 13.900 2.057 1.00 0.00 C ATOM 214 O HIS A 17 -6.064 13.654 2.727 1.00 0.00 O ATOM 215 CB HIS A 17 -4.673 16.008 0.745 1.00 0.00 C ATOM 216 CG HIS A 17 -5.271 17.369 0.955 1.00 0.00 C ATOM 217 ND1 HIS A 17 -4.642 18.579 0.769 1.00 0.00 N ATOM 218 CD2 HIS A 17 -6.539 17.612 1.408 1.00 0.00 C ATOM 219 CE1 HIS A 17 -5.524 19.538 1.095 1.00 0.00 C ATOM 220 NE2 HIS A 17 -6.684 19.000 1.518 1.00 0.00 N ATOM 0 H HIS A 17 -2.430 15.677 1.672 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.909 15.861 2.885 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.730 16.102 0.206 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.337 15.408 0.123 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.289 16.870 1.638 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.329 20.598 1.027 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.505 19.504 1.852 1.00 0.00 H new ATOM 228 N GLU A 18 -4.453 12.994 1.289 1.00 0.00 N ATOM 229 CA GLU A 18 -4.984 11.662 1.072 1.00 0.00 C ATOM 230 C GLU A 18 -4.734 10.788 2.313 1.00 0.00 C ATOM 231 O GLU A 18 -5.441 9.814 2.526 1.00 0.00 O ATOM 232 CB GLU A 18 -4.378 11.108 -0.221 1.00 0.00 C ATOM 233 CG GLU A 18 -5.114 9.867 -0.747 1.00 0.00 C ATOM 234 CD GLU A 18 -6.386 10.154 -1.569 1.00 0.00 C ATOM 235 OE1 GLU A 18 -7.173 11.056 -1.180 1.00 0.00 O ATOM 236 OE2 GLU A 18 -6.631 9.415 -2.547 1.00 0.00 O ATOM 0 H GLU A 18 -3.576 13.171 0.800 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.066 11.675 0.941 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.395 11.885 -0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.332 10.856 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.425 9.291 -1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.384 9.238 0.101 1.00 0.00 H new ATOM 243 N LEU A 19 -3.754 11.108 3.169 1.00 0.00 N ATOM 244 CA LEU A 19 -3.560 10.429 4.458 1.00 0.00 C ATOM 245 C LEU A 19 -4.716 10.793 5.380 1.00 0.00 C ATOM 246 O LEU A 19 -5.418 9.907 5.858 1.00 0.00 O ATOM 247 CB LEU A 19 -2.216 10.813 5.101 1.00 0.00 C ATOM 248 CG LEU A 19 -1.016 10.204 4.360 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.252 11.030 4.579 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.750 8.744 4.680 1.00 0.00 C ATOM 0 H LEU A 19 -3.073 11.845 2.987 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.540 9.352 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.119 11.899 5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.205 10.481 6.139 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.297 10.236 3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.082 10.572 4.041 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.095 12.043 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.484 11.065 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.114 8.399 4.112 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.551 8.636 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.622 8.148 4.412 1.00 0.00 H new ATOM 262 N GLN A 20 -4.962 12.090 5.551 1.00 0.00 N ATOM 263 CA GLN A 20 -6.083 12.611 6.329 1.00 0.00 C ATOM 264 C GLN A 20 -7.415 12.026 5.828 1.00 0.00 C ATOM 265 O GLN A 20 -8.325 11.765 6.615 1.00 0.00 O ATOM 266 CB GLN A 20 -6.088 14.147 6.224 1.00 0.00 C ATOM 267 CG GLN A 20 -4.928 14.842 6.954 1.00 0.00 C ATOM 268 CD GLN A 20 -4.751 16.300 6.502 1.00 0.00 C ATOM 269 OE1 GLN A 20 -5.708 17.054 6.338 1.00 0.00 O ATOM 270 NE2 GLN A 20 -3.535 16.763 6.255 1.00 0.00 N ATOM 0 H GLN A 20 -4.377 12.821 5.146 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.969 12.317 7.372 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.056 14.426 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.029 14.522 6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.109 14.816 8.029 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.005 14.292 6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.723 16.159 6.383 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.410 17.724 5.937 1.00 0.00 H new ATOM 279 N ALA A 21 -7.541 11.814 4.516 1.00 0.00 N ATOM 280 CA ALA A 21 -8.702 11.171 3.910 1.00 0.00 C ATOM 281 C ALA A 21 -8.773 9.684 4.281 1.00 0.00 C ATOM 282 O ALA A 21 -9.832 9.179 4.648 1.00 0.00 O ATOM 283 CB ALA A 21 -8.659 11.362 2.392 1.00 0.00 C ATOM 0 H ALA A 21 -6.829 12.089 3.839 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.606 11.640 4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.527 10.881 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.671 12.427 2.159 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.748 10.914 1.995 1.00 0.00 H new ATOM 289 N LEU A 22 -7.658 8.955 4.193 1.00 0.00 N ATOM 290 CA LEU A 22 -7.601 7.529 4.522 1.00 0.00 C ATOM 291 C LEU A 22 -7.910 7.286 5.998 1.00 0.00 C ATOM 292 O LEU A 22 -8.412 6.216 6.334 1.00 0.00 O ATOM 293 CB LEU A 22 -6.218 6.944 4.188 1.00 0.00 C ATOM 294 CG LEU A 22 -5.985 6.765 2.676 1.00 0.00 C ATOM 295 CD1 LEU A 22 -4.493 6.671 2.365 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.660 5.503 2.156 1.00 0.00 C ATOM 0 H LEU A 22 -6.764 9.340 3.889 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.358 7.029 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.446 7.598 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.110 5.979 4.683 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.416 7.637 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.352 6.545 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.995 7.584 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.065 5.817 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.476 5.407 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.254 4.634 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.733 5.564 2.336 1.00 0.00 H new ATOM 308 N GLU A 23 -7.641 8.254 6.872 1.00 0.00 N ATOM 309 CA GLU A 23 -7.957 8.179 8.287 1.00 0.00 C ATOM 310 C GLU A 23 -9.470 8.141 8.485 1.00 0.00 C ATOM 311 O GLU A 23 -9.951 7.426 9.361 1.00 0.00 O ATOM 312 CB GLU A 23 -7.351 9.397 9.005 1.00 0.00 C ATOM 313 CG GLU A 23 -7.180 9.103 10.497 1.00 0.00 C ATOM 314 CD GLU A 23 -6.955 10.358 11.340 1.00 0.00 C ATOM 315 OE1 GLU A 23 -5.805 10.871 11.294 1.00 0.00 O ATOM 316 OE2 GLU A 23 -7.869 10.742 12.097 1.00 0.00 O ATOM 0 H GLU A 23 -7.188 9.128 6.605 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.534 7.267 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.386 9.645 8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.996 10.265 8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.066 8.583 10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.336 8.427 10.632 1.00 0.00 H new ATOM 323 N ALA A 24 -10.221 8.871 7.658 1.00 0.00 N ATOM 324 CA ALA A 24 -11.663 8.963 7.738 1.00 0.00 C ATOM 325 C ALA A 24 -12.283 7.646 7.280 1.00 0.00 C ATOM 326 O ALA A 24 -13.308 7.212 7.808 1.00 0.00 O ATOM 327 CB ALA A 24 -12.124 10.116 6.846 1.00 0.00 C ATOM 0 H ALA A 24 -9.824 9.425 6.899 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.978 9.152 8.764 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.210 10.201 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.672 11.046 7.191 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.820 9.924 5.817 1.00 0.00 H new ATOM 333 N ILE A 25 -11.654 7.024 6.284 1.00 0.00 N ATOM 334 CA ILE A 25 -12.148 5.833 5.633 1.00 0.00 C ATOM 335 C ILE A 25 -11.849 4.608 6.508 1.00 0.00 C ATOM 336 O ILE A 25 -12.766 3.909 6.935 1.00 0.00 O ATOM 337 CB ILE A 25 -11.558 5.746 4.204 1.00 0.00 C ATOM 338 CG1 ILE A 25 -12.009 6.940 3.319 1.00 0.00 C ATOM 339 CG2 ILE A 25 -11.879 4.391 3.548 1.00 0.00 C ATOM 340 CD1 ILE A 25 -13.414 6.855 2.720 1.00 0.00 C ATOM 0 H ILE A 25 -10.765 7.350 5.905 1.00 0.00 H new ATOM 0 HA ILE A 25 -13.231 5.868 5.517 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.474 5.814 4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.948 7.850 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.296 7.047 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.451 4.361 2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.454 3.586 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.960 4.264 3.485 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.610 7.746 2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.486 5.971 2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.148 6.787 3.523 1.00 0.00 H new ATOM 352 N TYR A 26 -10.568 4.312 6.741 1.00 0.00 N ATOM 353 CA TYR A 26 -10.140 3.065 7.372 1.00 0.00 C ATOM 354 C TYR A 26 -10.128 3.175 8.893 1.00 0.00 C ATOM 355 O TYR A 26 -10.438 2.208 9.589 1.00 0.00 O ATOM 356 CB TYR A 26 -8.746 2.680 6.855 1.00 0.00 C ATOM 357 CG TYR A 26 -8.763 2.234 5.405 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.108 0.908 5.065 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.492 3.169 4.390 1.00 0.00 C ATOM 360 CE1 TYR A 26 -9.208 0.518 3.714 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.589 2.783 3.044 1.00 0.00 C ATOM 362 CZ TYR A 26 -8.937 1.461 2.701 1.00 0.00 C ATOM 363 OH TYR A 26 -8.962 1.106 1.390 1.00 0.00 O ATOM 0 H TYR A 26 -9.797 4.934 6.496 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.857 2.288 7.108 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -8.075 3.533 6.961 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.342 1.878 7.473 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.297 0.187 5.846 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.210 4.180 4.645 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.489 -0.493 3.457 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.395 3.505 2.265 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.752 1.886 0.836 1.00 0.00 H new ATOM 373 N GLY A 27 -9.746 4.336 9.427 1.00 0.00 N ATOM 374 CA GLY A 27 -9.607 4.563 10.853 1.00 0.00 C ATOM 375 C GLY A 27 -8.472 3.735 11.459 1.00 0.00 C ATOM 376 O GLY A 27 -7.387 4.278 11.678 1.00 0.00 O ATOM 0 H GLY A 27 -9.522 5.156 8.863 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.420 5.621 11.035 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.543 4.314 11.352 1.00 0.00 H new ATOM 380 N SER A 28 -8.710 2.471 11.812 1.00 0.00 N ATOM 381 CA SER A 28 -7.846 1.676 12.681 1.00 0.00 C ATOM 382 C SER A 28 -6.884 0.748 11.934 1.00 0.00 C ATOM 383 O SER A 28 -5.848 0.395 12.499 1.00 0.00 O ATOM 384 CB SER A 28 -8.740 0.856 13.606 1.00 0.00 C ATOM 385 OG SER A 28 -9.515 1.736 14.399 1.00 0.00 O ATOM 0 H SER A 28 -9.532 1.959 11.492 1.00 0.00 H new ATOM 0 HA SER A 28 -7.211 2.369 13.232 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.390 0.205 13.021 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.133 0.212 14.242 1.00 0.00 H new ATOM 0 HG SER A 28 -10.093 1.216 14.995 1.00 0.00 H new ATOM 391 N ASP A 29 -7.171 0.367 10.685 1.00 0.00 N ATOM 392 CA ASP A 29 -6.255 -0.438 9.865 1.00 0.00 C ATOM 393 C ASP A 29 -5.019 0.374 9.471 1.00 0.00 C ATOM 394 O ASP A 29 -3.990 -0.185 9.094 1.00 0.00 O ATOM 395 CB ASP A 29 -6.927 -0.902 8.566 1.00 0.00 C ATOM 396 CG ASP A 29 -8.029 -1.931 8.781 1.00 0.00 C ATOM 397 OD1 ASP A 29 -9.090 -1.543 9.315 1.00 0.00 O ATOM 398 OD2 ASP A 29 -7.872 -3.102 8.373 1.00 0.00 O ATOM 0 H ASP A 29 -8.043 0.607 10.213 1.00 0.00 H new ATOM 0 HA ASP A 29 -5.973 -1.299 10.471 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.346 -0.035 8.054 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.170 -1.326 7.907 1.00 0.00 H new ATOM 403 N PHE A 30 -5.140 1.701 9.495 1.00 0.00 N ATOM 404 CA PHE A 30 -4.104 2.654 9.139 1.00 0.00 C ATOM 405 C PHE A 30 -3.242 2.862 10.381 1.00 0.00 C ATOM 406 O PHE A 30 -3.729 3.332 11.411 1.00 0.00 O ATOM 407 CB PHE A 30 -4.797 3.954 8.675 1.00 0.00 C ATOM 408 CG PHE A 30 -3.925 5.111 8.196 1.00 0.00 C ATOM 409 CD1 PHE A 30 -2.545 4.981 7.924 1.00 0.00 C ATOM 410 CD2 PHE A 30 -4.531 6.368 7.999 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.779 6.111 7.579 1.00 0.00 C ATOM 412 CE2 PHE A 30 -3.786 7.472 7.547 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.397 7.359 7.374 1.00 0.00 C ATOM 0 H PHE A 30 -6.008 2.157 9.778 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.464 2.310 8.327 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.479 3.695 7.865 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.407 4.318 9.502 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.075 4.010 7.981 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.586 6.486 8.199 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.708 6.019 7.471 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.282 8.407 7.333 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.810 8.219 7.087 1.00 0.00 H new ATOM 423 N GLN A 31 -1.949 2.581 10.272 1.00 0.00 N ATOM 424 CA GLN A 31 -0.929 3.081 11.156 1.00 0.00 C ATOM 425 C GLN A 31 0.042 3.873 10.290 1.00 0.00 C ATOM 426 O GLN A 31 0.662 3.353 9.359 1.00 0.00 O ATOM 427 CB GLN A 31 -0.279 1.945 11.952 1.00 0.00 C ATOM 428 CG GLN A 31 0.783 2.536 12.892 1.00 0.00 C ATOM 429 CD GLN A 31 1.124 1.744 14.160 1.00 0.00 C ATOM 430 OE1 GLN A 31 1.843 2.250 15.013 1.00 0.00 O ATOM 431 NE2 GLN A 31 0.704 0.499 14.348 1.00 0.00 N ATOM 0 H GLN A 31 -1.580 1.977 9.537 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.337 3.739 11.923 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.034 1.408 12.527 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.178 1.224 11.274 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.702 2.669 12.321 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.450 3.529 13.195 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.104 0.053 13.654 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.981 -0.012 15.186 1.00 0.00 H new ATOM 440 N ASP A 32 0.115 5.164 10.571 1.00 0.00 N ATOM 441 CA ASP A 32 1.168 6.052 10.107 1.00 0.00 C ATOM 442 C ASP A 32 2.462 5.696 10.857 1.00 0.00 C ATOM 443 O ASP A 32 2.430 5.379 12.049 1.00 0.00 O ATOM 444 CB ASP A 32 0.701 7.507 10.303 1.00 0.00 C ATOM 445 CG ASP A 32 1.783 8.428 10.860 1.00 0.00 C ATOM 446 OD1 ASP A 32 2.770 8.660 10.127 1.00 0.00 O ATOM 447 OD2 ASP A 32 1.600 9.014 11.952 1.00 0.00 O ATOM 0 H ASP A 32 -0.580 5.638 11.147 1.00 0.00 H new ATOM 0 HA ASP A 32 1.380 5.936 9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.358 7.901 9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.155 7.517 10.978 1.00 0.00 H new ATOM 452 N LEU A 33 3.594 5.684 10.148 1.00 0.00 N ATOM 453 CA LEU A 33 4.874 5.203 10.670 1.00 0.00 C ATOM 454 C LEU A 33 5.879 6.349 10.820 1.00 0.00 C ATOM 455 O LEU A 33 7.040 6.096 11.162 1.00 0.00 O ATOM 456 CB LEU A 33 5.443 4.087 9.769 1.00 0.00 C ATOM 457 CG LEU A 33 4.479 2.919 9.476 1.00 0.00 C ATOM 458 CD1 LEU A 33 5.053 2.046 8.356 1.00 0.00 C ATOM 459 CD2 LEU A 33 4.227 2.051 10.710 1.00 0.00 C ATOM 0 H LEU A 33 3.647 6.012 9.184 1.00 0.00 H new ATOM 0 HA LEU A 33 4.697 4.787 11.662 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.750 4.529 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.341 3.686 10.239 1.00 0.00 H new ATOM 0 HG LEU A 33 3.526 3.353 9.173 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.370 1.222 8.151 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.178 2.646 7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.020 1.648 8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.542 1.243 10.453 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.171 1.630 11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.788 2.660 11.500 1.00 0.00 H new ATOM 641 N PRO A 44 9.352 10.537 3.437 1.00 0.00 N ATOM 642 CA PRO A 44 8.127 10.175 2.742 1.00 0.00 C ATOM 643 C PRO A 44 7.065 9.606 3.699 1.00 0.00 C ATOM 644 O PRO A 44 7.389 9.303 4.858 1.00 0.00 O ATOM 645 CB PRO A 44 8.601 9.154 1.709 1.00 0.00 C ATOM 646 CG PRO A 44 9.740 8.440 2.417 1.00 0.00 C ATOM 647 CD PRO A 44 10.401 9.574 3.159 1.00 0.00 C ATOM 0 HA PRO A 44 7.627 11.028 2.284 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.805 8.464 1.432 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.938 9.637 0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.379 7.665 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.421 7.959 1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.861 9.221 4.082 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.193 10.023 2.560 1.00 0.00 H new ATOM 655 N PRO A 45 5.802 9.480 3.253 1.00 0.00 N ATOM 656 CA PRO A 45 4.694 9.023 4.072 1.00 0.00 C ATOM 657 C PRO A 45 4.745 7.499 4.196 1.00 0.00 C ATOM 658 O PRO A 45 4.010 6.786 3.517 1.00 0.00 O ATOM 659 CB PRO A 45 3.451 9.525 3.342 1.00 0.00 C ATOM 660 CG PRO A 45 3.842 9.435 1.870 1.00 0.00 C ATOM 661 CD PRO A 45 5.336 9.745 1.898 1.00 0.00 C ATOM 0 HA PRO A 45 4.713 9.398 5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.579 8.910 3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.202 10.546 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.642 8.446 1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.291 10.152 1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.872 9.126 1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.519 10.784 1.624 1.00 0.00 H new ATOM 669 N GLU A 46 5.642 7.010 5.046 1.00 0.00 N ATOM 670 CA GLU A 46 5.755 5.592 5.334 1.00 0.00 C ATOM 671 C GLU A 46 4.507 5.196 6.133 1.00 0.00 C ATOM 672 O GLU A 46 4.281 5.723 7.228 1.00 0.00 O ATOM 673 CB GLU A 46 7.102 5.296 6.028 1.00 0.00 C ATOM 674 CG GLU A 46 7.521 3.822 5.883 1.00 0.00 C ATOM 675 CD GLU A 46 8.948 3.562 6.379 1.00 0.00 C ATOM 676 OE1 GLU A 46 9.913 3.969 5.699 1.00 0.00 O ATOM 677 OE2 GLU A 46 9.151 2.911 7.429 1.00 0.00 O ATOM 0 H GLU A 46 6.310 7.590 5.553 1.00 0.00 H new ATOM 0 HA GLU A 46 5.777 4.977 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.876 5.935 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.027 5.548 7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.826 3.194 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.445 3.528 4.836 1.00 0.00 H new ATOM 684 N ILE A 47 3.667 4.319 5.572 1.00 0.00 N ATOM 685 CA ILE A 47 2.431 3.858 6.211 1.00 0.00 C ATOM 686 C ILE A 47 2.340 2.339 6.196 1.00 0.00 C ATOM 687 O ILE A 47 3.001 1.656 5.407 1.00 0.00 O ATOM 688 CB ILE A 47 1.168 4.458 5.555 1.00 0.00 C ATOM 689 CG1 ILE A 47 0.935 3.925 4.116 1.00 0.00 C ATOM 690 CG2 ILE A 47 1.207 5.992 5.560 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.349 3.099 4.022 1.00 0.00 C ATOM 0 H ILE A 47 3.828 3.906 4.653 1.00 0.00 H new ATOM 0 HA ILE A 47 2.472 4.208 7.243 1.00 0.00 H new ATOM 0 HB ILE A 47 0.324 4.132 6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.881 4.763 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.785 3.314 3.812 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.303 6.380 5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.266 6.351 6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.080 6.336 5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.479 2.743 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.283 2.246 4.698 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.201 3.718 4.301 1.00 0.00 H new ATOM 703 N ASN A 48 1.440 1.840 7.034 1.00 0.00 N ATOM 704 CA ASN A 48 1.029 0.462 7.154 1.00 0.00 C ATOM 705 C ASN A 48 -0.495 0.462 7.144 1.00 0.00 C ATOM 706 O ASN A 48 -1.099 0.982 8.083 1.00 0.00 O ATOM 707 CB ASN A 48 1.587 -0.070 8.483 1.00 0.00 C ATOM 708 CG ASN A 48 1.046 -1.425 8.905 1.00 0.00 C ATOM 709 OD1 ASN A 48 1.778 -2.404 8.844 1.00 0.00 O ATOM 710 ND2 ASN A 48 -0.188 -1.509 9.378 1.00 0.00 N ATOM 0 H ASN A 48 0.946 2.440 7.694 1.00 0.00 H new ATOM 0 HA ASN A 48 1.396 -0.172 6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.672 -0.136 8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.368 0.653 9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.550 -2.406 9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.777 -0.677 9.418 1.00 0.00 H new ATOM 717 N LEU A 49 -1.119 -0.092 6.106 1.00 0.00 N ATOM 718 CA LEU A 49 -2.558 -0.326 6.057 1.00 0.00 C ATOM 719 C LEU A 49 -2.793 -1.827 6.093 1.00 0.00 C ATOM 720 O LEU A 49 -2.477 -2.531 5.130 1.00 0.00 O ATOM 721 CB LEU A 49 -3.189 0.278 4.790 1.00 0.00 C ATOM 722 CG LEU A 49 -3.663 1.736 4.900 1.00 0.00 C ATOM 723 CD1 LEU A 49 -3.920 2.316 3.500 1.00 0.00 C ATOM 724 CD2 LEU A 49 -4.969 1.819 5.696 1.00 0.00 C ATOM 0 H LEU A 49 -0.630 -0.395 5.264 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.029 0.159 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.462 0.214 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.041 -0.339 4.503 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.883 2.303 5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.255 3.349 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.999 2.283 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.688 1.728 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.289 2.859 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.739 1.234 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.810 1.423 6.699 1.00 0.00 H new ATOM 736 N VAL A 50 -3.350 -2.339 7.183 1.00 0.00 N ATOM 737 CA VAL A 50 -3.855 -3.706 7.220 1.00 0.00 C ATOM 738 C VAL A 50 -5.051 -3.777 6.260 1.00 0.00 C ATOM 739 O VAL A 50 -5.704 -2.765 6.006 1.00 0.00 O ATOM 740 CB VAL A 50 -4.244 -4.093 8.663 1.00 0.00 C ATOM 741 CG1 VAL A 50 -4.468 -5.608 8.769 1.00 0.00 C ATOM 742 CG2 VAL A 50 -3.158 -3.738 9.692 1.00 0.00 C ATOM 0 H VAL A 50 -3.464 -1.826 8.057 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.093 -4.419 6.904 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.151 -3.529 8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.742 -5.865 9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.270 -5.905 8.094 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.552 -6.131 8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.489 -4.034 10.687 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.236 -4.265 9.445 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.978 -2.663 9.674 1.00 0.00 H new ATOM 752 N LEU A 51 -5.301 -4.942 5.661 1.00 0.00 N ATOM 753 CA LEU A 51 -6.522 -5.279 4.955 1.00 0.00 C ATOM 754 C LEU A 51 -6.811 -6.757 5.151 1.00 0.00 C ATOM 755 O LEU A 51 -5.889 -7.555 5.361 1.00 0.00 O ATOM 756 CB LEU A 51 -6.338 -5.069 3.458 1.00 0.00 C ATOM 757 CG LEU A 51 -6.115 -3.615 3.040 1.00 0.00 C ATOM 758 CD1 LEU A 51 -5.717 -3.673 1.584 1.00 0.00 C ATOM 759 CD2 LEU A 51 -7.345 -2.725 3.218 1.00 0.00 C ATOM 0 H LEU A 51 -4.624 -5.705 5.659 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.327 -4.651 5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.488 -5.664 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.218 -5.451 2.940 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.354 -3.164 3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.540 -2.663 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.806 -4.262 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.517 -4.136 1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.108 -1.710 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.165 -3.112 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.640 -2.718 4.267 1.00 0.00 H new ATOM 771 N TYR A 52 -8.075 -7.125 4.962 1.00 0.00 N ATOM 772 CA TYR A 52 -8.601 -8.467 5.143 1.00 0.00 C ATOM 773 C TYR A 52 -9.482 -8.805 3.924 1.00 0.00 C ATOM 774 O TYR A 52 -9.774 -7.913 3.127 1.00 0.00 O ATOM 775 CB TYR A 52 -9.397 -8.528 6.461 1.00 0.00 C ATOM 776 CG TYR A 52 -8.701 -8.061 7.732 1.00 0.00 C ATOM 777 CD1 TYR A 52 -8.419 -6.702 7.964 1.00 0.00 C ATOM 778 CD2 TYR A 52 -8.360 -9.000 8.720 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.756 -6.304 9.137 1.00 0.00 C ATOM 780 CE2 TYR A 52 -7.680 -8.621 9.883 1.00 0.00 C ATOM 781 CZ TYR A 52 -7.370 -7.265 10.092 1.00 0.00 C ATOM 782 OH TYR A 52 -6.792 -6.895 11.260 1.00 0.00 O ATOM 0 H TYR A 52 -8.791 -6.462 4.665 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.799 -9.202 5.209 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.300 -7.931 6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -9.715 -9.559 6.613 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.714 -5.961 7.236 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -8.628 -10.037 8.579 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.542 -5.259 9.307 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.396 -9.363 10.614 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.595 -7.692 11.795 1.00 0.00 H new ATOM 792 N PRO A 53 -9.892 -10.068 3.717 1.00 0.00 N ATOM 793 CA PRO A 53 -10.785 -10.411 2.626 1.00 0.00 C ATOM 794 C PRO A 53 -12.207 -9.893 2.830 1.00 0.00 C ATOM 795 O PRO A 53 -12.649 -9.545 3.929 1.00 0.00 O ATOM 796 CB PRO A 53 -10.754 -11.941 2.518 1.00 0.00 C ATOM 797 CG PRO A 53 -10.211 -12.422 3.844 1.00 0.00 C ATOM 798 CD PRO A 53 -9.349 -11.263 4.327 1.00 0.00 C ATOM 0 HA PRO A 53 -10.451 -9.934 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.750 -12.343 2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.120 -12.265 1.692 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.013 -12.644 4.548 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.626 -13.335 3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.372 -11.189 5.414 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.308 -11.407 4.039 1.00 0.00 H new ATOM 896 N VAL A 61 -11.377 -13.917 9.811 1.00 0.00 N ATOM 897 CA VAL A 61 -10.768 -14.095 8.490 1.00 0.00 C ATOM 898 C VAL A 61 -9.843 -15.323 8.493 1.00 0.00 C ATOM 899 O VAL A 61 -9.779 -16.058 9.479 1.00 0.00 O ATOM 900 CB VAL A 61 -10.195 -12.752 7.956 1.00 0.00 C ATOM 901 CG1 VAL A 61 -10.969 -11.523 8.477 1.00 0.00 C ATOM 902 CG2 VAL A 61 -8.701 -12.492 8.142 1.00 0.00 C ATOM 0 HA VAL A 61 -11.514 -14.346 7.736 1.00 0.00 H new ATOM 0 HB VAL A 61 -10.339 -12.889 6.884 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -10.524 -10.614 8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -12.011 -11.589 8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.920 -11.497 9.566 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.446 -11.519 7.722 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.459 -12.503 9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.130 -13.268 7.632 1.00 0.00 H new ATOM 912 N TYR A 62 -9.216 -15.627 7.355 1.00 0.00 N ATOM 913 CA TYR A 62 -8.310 -16.769 7.188 1.00 0.00 C ATOM 914 C TYR A 62 -6.980 -16.345 6.557 1.00 0.00 C ATOM 915 O TYR A 62 -5.986 -17.064 6.670 1.00 0.00 O ATOM 916 CB TYR A 62 -8.990 -17.863 6.345 1.00 0.00 C ATOM 917 CG TYR A 62 -9.953 -18.746 7.119 1.00 0.00 C ATOM 918 CD1 TYR A 62 -11.131 -18.212 7.675 1.00 0.00 C ATOM 919 CD2 TYR A 62 -9.654 -20.107 7.316 1.00 0.00 C ATOM 920 CE1 TYR A 62 -11.986 -19.005 8.454 1.00 0.00 C ATOM 921 CE2 TYR A 62 -10.505 -20.916 8.086 1.00 0.00 C ATOM 922 CZ TYR A 62 -11.664 -20.364 8.673 1.00 0.00 C ATOM 923 OH TYR A 62 -12.457 -21.154 9.442 1.00 0.00 O ATOM 0 H TYR A 62 -9.325 -15.075 6.504 1.00 0.00 H new ATOM 0 HA TYR A 62 -8.087 -17.171 8.176 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.530 -17.389 5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -8.220 -18.491 5.898 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.380 -17.176 7.499 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.765 -20.531 6.873 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -12.882 -18.581 8.883 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -10.273 -21.961 8.229 1.00 0.00 H new ATOM 0 HH TYR A 62 -12.080 -22.058 9.480 1.00 0.00 H new ATOM 933 N VAL A 63 -6.941 -15.183 5.910 1.00 0.00 N ATOM 934 CA VAL A 63 -5.789 -14.567 5.268 1.00 0.00 C ATOM 935 C VAL A 63 -5.923 -13.069 5.547 1.00 0.00 C ATOM 936 O VAL A 63 -7.055 -12.597 5.600 1.00 0.00 O ATOM 937 CB VAL A 63 -5.794 -14.854 3.748 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.394 -16.298 3.409 1.00 0.00 C ATOM 939 CG2 VAL A 63 -7.145 -14.571 3.062 1.00 0.00 C ATOM 0 H VAL A 63 -7.777 -14.607 5.815 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.848 -14.962 5.651 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.048 -14.159 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.416 -16.438 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.388 -16.493 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.094 -16.989 3.879 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.067 -14.797 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.918 -15.195 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.406 -13.521 3.192 1.00 0.00 H new ATOM 949 N GLN A 64 -4.833 -12.320 5.695 1.00 0.00 N ATOM 950 CA GLN A 64 -4.829 -10.857 5.831 1.00 0.00 C ATOM 951 C GLN A 64 -3.391 -10.383 5.759 1.00 0.00 C ATOM 952 O GLN A 64 -2.494 -11.104 6.205 1.00 0.00 O ATOM 953 CB GLN A 64 -5.493 -10.358 7.134 1.00 0.00 C ATOM 954 CG GLN A 64 -4.873 -10.803 8.467 1.00 0.00 C ATOM 955 CD GLN A 64 -4.023 -9.722 9.146 1.00 0.00 C ATOM 956 OE1 GLN A 64 -2.828 -9.421 8.663 1.00 0.00 O flip ATOM 957 NE2 GLN A 64 -4.400 -9.177 10.175 1.00 0.00 N flip ATOM 0 H GLN A 64 -3.896 -12.723 5.725 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.425 -10.441 5.019 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.496 -9.268 7.113 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.534 -10.680 7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.671 -11.104 9.146 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.254 -11.683 8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -5.318 -9.397 10.562 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.796 -8.503 10.646 1.00 0.00 H new ATOM 966 N VAL A 65 -3.167 -9.168 5.272 1.00 0.00 N ATOM 967 CA VAL A 65 -1.825 -8.676 5.004 1.00 0.00 C ATOM 968 C VAL A 65 -1.791 -7.167 5.238 1.00 0.00 C ATOM 969 O VAL A 65 -2.827 -6.492 5.218 1.00 0.00 O ATOM 970 CB VAL A 65 -1.447 -9.121 3.572 1.00 0.00 C ATOM 971 CG1 VAL A 65 -2.213 -8.378 2.479 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.041 -8.961 3.269 1.00 0.00 C ATOM 0 H VAL A 65 -3.907 -8.501 5.054 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.074 -9.090 5.677 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.721 -10.176 3.558 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.897 -8.742 1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.282 -8.551 2.602 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.008 -7.310 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.242 -9.290 2.250 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.323 -7.913 3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.621 -9.565 3.966 1.00 0.00 H new ATOM 982 N GLU A 66 -0.591 -6.631 5.413 1.00 0.00 N ATOM 983 CA GLU A 66 -0.309 -5.211 5.525 1.00 0.00 C ATOM 984 C GLU A 66 0.254 -4.722 4.194 1.00 0.00 C ATOM 985 O GLU A 66 1.138 -5.360 3.616 1.00 0.00 O ATOM 986 CB GLU A 66 0.705 -5.011 6.647 1.00 0.00 C ATOM 987 CG GLU A 66 0.032 -5.089 8.019 1.00 0.00 C ATOM 988 CD GLU A 66 0.996 -5.523 9.117 1.00 0.00 C ATOM 989 OE1 GLU A 66 2.231 -5.536 8.906 1.00 0.00 O ATOM 990 OE2 GLU A 66 0.524 -5.993 10.175 1.00 0.00 O ATOM 0 H GLU A 66 0.250 -7.203 5.484 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.212 -4.645 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.484 -5.770 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.193 -4.043 6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.386 -4.114 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.801 -5.791 7.972 1.00 0.00 H new ATOM 997 N LEU A 67 -0.251 -3.573 3.745 1.00 0.00 N ATOM 998 CA LEU A 67 0.159 -2.799 2.597 1.00 0.00 C ATOM 999 C LEU A 67 1.166 -1.813 3.160 1.00 0.00 C ATOM 1000 O LEU A 67 0.826 -1.030 4.054 1.00 0.00 O ATOM 1001 CB LEU A 67 -1.057 -2.024 2.045 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.689 -1.154 0.830 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.252 -1.741 -0.470 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.153 0.291 1.021 1.00 0.00 C ATOM 0 H LEU A 67 -1.031 -3.128 4.229 1.00 0.00 H new ATOM 0 HA LEU A 67 0.565 -3.412 1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.837 -2.730 1.761 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.470 -1.392 2.831 1.00 0.00 H new ATOM 0 HG LEU A 67 0.398 -1.150 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.974 -1.102 -1.308 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.845 -2.740 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.338 -1.799 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.878 0.880 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.235 0.312 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.676 0.712 1.906 1.00 0.00 H new ATOM 1016 N ARG A 68 2.400 -1.866 2.674 1.00 0.00 N ATOM 1017 CA ARG A 68 3.478 -1.016 3.147 1.00 0.00 C ATOM 1018 C ARG A 68 3.890 -0.149 1.976 1.00 0.00 C ATOM 1019 O ARG A 68 4.216 -0.665 0.907 1.00 0.00 O ATOM 1020 CB ARG A 68 4.617 -1.895 3.694 1.00 0.00 C ATOM 1021 CG ARG A 68 4.879 -1.699 5.191 1.00 0.00 C ATOM 1022 CD ARG A 68 5.673 -0.419 5.477 1.00 0.00 C ATOM 1023 NE ARG A 68 6.546 -0.601 6.644 1.00 0.00 N ATOM 1024 CZ ARG A 68 7.879 -0.688 6.645 1.00 0.00 C ATOM 1025 NH1 ARG A 68 8.592 -0.537 5.531 1.00 0.00 N ATOM 1026 NH2 ARG A 68 8.487 -0.959 7.791 1.00 0.00 N ATOM 0 H ARG A 68 2.680 -2.508 1.933 1.00 0.00 H new ATOM 0 HA ARG A 68 3.179 -0.369 3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.377 -2.942 3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.531 -1.676 3.142 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.928 -1.661 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.427 -2.558 5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.272 -0.154 4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.987 0.409 5.655 1.00 0.00 H new ATOM 0 HE ARG A 68 6.085 -0.668 7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.121 -0.349 4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.609 -0.609 5.563 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.938 -1.095 8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.504 -1.032 7.824 1.00 0.00 H new ATOM 1040 N VAL A 69 3.822 1.163 2.153 1.00 0.00 N ATOM 1041 CA VAL A 69 4.132 2.141 1.125 1.00 0.00 C ATOM 1042 C VAL A 69 5.045 3.150 1.799 1.00 0.00 C ATOM 1043 O VAL A 69 4.624 3.797 2.752 1.00 0.00 O ATOM 1044 CB VAL A 69 2.827 2.758 0.561 1.00 0.00 C ATOM 1045 CG1 VAL A 69 3.102 3.928 -0.399 1.00 0.00 C ATOM 1046 CG2 VAL A 69 2.003 1.708 -0.203 1.00 0.00 C ATOM 0 H VAL A 69 3.542 1.585 3.038 1.00 0.00 H new ATOM 0 HA VAL A 69 4.633 1.712 0.257 1.00 0.00 H new ATOM 0 HB VAL A 69 2.273 3.124 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.157 4.326 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.645 4.712 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.700 3.576 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.093 2.169 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.591 1.318 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.740 0.892 0.470 1.00 0.00 H new ATOM 1056 N LYS A 70 6.297 3.250 1.343 1.00 0.00 N ATOM 1057 CA LYS A 70 7.151 4.399 1.627 1.00 0.00 C ATOM 1058 C LYS A 70 6.670 5.588 0.799 1.00 0.00 C ATOM 1059 O LYS A 70 6.364 6.621 1.373 1.00 0.00 O ATOM 1060 CB LYS A 70 8.620 4.028 1.374 1.00 0.00 C ATOM 1061 CG LYS A 70 9.595 5.172 1.657 1.00 0.00 C ATOM 1062 CD LYS A 70 11.055 4.701 1.770 1.00 0.00 C ATOM 1063 CE LYS A 70 11.293 4.110 3.164 1.00 0.00 C ATOM 1064 NZ LYS A 70 12.666 3.619 3.398 1.00 0.00 N ATOM 0 H LYS A 70 6.743 2.536 0.768 1.00 0.00 H new ATOM 0 HA LYS A 70 7.086 4.690 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.883 3.174 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.733 3.712 0.337 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.518 5.913 0.861 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.306 5.668 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.268 3.954 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.733 5.537 1.597 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.061 4.869 3.911 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.596 3.287 3.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.738 3.237 4.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.889 2.870 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.339 4.404 3.285 1.00 0.00 H new ATOM 1078 N CYS A 71 6.558 5.398 -0.523 1.00 0.00 N ATOM 1079 CA CYS A 71 6.296 6.378 -1.581 1.00 0.00 C ATOM 1080 C CYS A 71 7.599 7.159 -1.863 1.00 0.00 C ATOM 1081 O CYS A 71 8.209 7.677 -0.927 1.00 0.00 O ATOM 1082 CB CYS A 71 5.041 7.249 -1.287 1.00 0.00 C ATOM 1083 SG CYS A 71 5.342 9.025 -1.448 1.00 0.00 S ATOM 0 H CYS A 71 6.659 4.461 -0.914 1.00 0.00 H new ATOM 0 HA CYS A 71 6.022 5.873 -2.507 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.241 6.961 -1.969 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.691 7.038 -0.277 1.00 0.00 H new ATOM 0 HG CYS A 71 6.255 9.230 -2.351 1.00 0.00 H new ATOM 1089 N PRO A 72 8.076 7.256 -3.119 1.00 0.00 N ATOM 1090 CA PRO A 72 9.210 8.115 -3.439 1.00 0.00 C ATOM 1091 C PRO A 72 8.841 9.600 -3.312 1.00 0.00 C ATOM 1092 O PRO A 72 7.666 9.955 -3.440 1.00 0.00 O ATOM 1093 CB PRO A 72 9.601 7.786 -4.883 1.00 0.00 C ATOM 1094 CG PRO A 72 8.323 7.213 -5.492 1.00 0.00 C ATOM 1095 CD PRO A 72 7.593 6.579 -4.309 1.00 0.00 C ATOM 0 HA PRO A 72 10.034 7.939 -2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 72 9.934 8.675 -5.418 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.419 7.066 -4.921 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.721 7.992 -5.960 1.00 0.00 H new ATOM 0 HG3 PRO A 72 8.546 6.476 -6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.514 6.695 -4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.795 5.509 -4.256 1.00 0.00 H new ATOM 1103 N PRO A 73 9.842 10.498 -3.236 1.00 0.00 N ATOM 1104 CA PRO A 73 9.654 11.950 -3.188 1.00 0.00 C ATOM 1105 C PRO A 73 9.151 12.549 -4.518 1.00 0.00 C ATOM 1106 O PRO A 73 9.183 13.770 -4.695 1.00 0.00 O ATOM 1107 CB PRO A 73 11.006 12.516 -2.738 1.00 0.00 C ATOM 1108 CG PRO A 73 12.005 11.507 -3.291 1.00 0.00 C ATOM 1109 CD PRO A 73 11.261 10.173 -3.238 1.00 0.00 C ATOM 0 HA PRO A 73 8.861 12.221 -2.491 1.00 0.00 H new ATOM 0 HB2 PRO A 73 11.178 13.515 -3.139 1.00 0.00 H new ATOM 0 HB3 PRO A 73 11.070 12.593 -1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 73 12.301 11.757 -4.310 1.00 0.00 H new ATOM 0 HG3 PRO A 73 12.915 11.479 -2.692 1.00 0.00 H new ATOM 0 HD2 PRO A 73 11.516 9.551 -4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 73 11.533 9.611 -2.344 1.00 0.00 H new ATOM 1117 N THR A 74 8.663 11.713 -5.437 1.00 0.00 N ATOM 1118 CA THR A 74 7.995 12.108 -6.666 1.00 0.00 C ATOM 1119 C THR A 74 6.571 11.531 -6.781 1.00 0.00 C ATOM 1120 O THR A 74 5.812 12.002 -7.621 1.00 0.00 O ATOM 1121 CB THR A 74 8.881 11.695 -7.853 1.00 0.00 C ATOM 1122 OG1 THR A 74 9.365 10.373 -7.680 1.00 0.00 O ATOM 1123 CG2 THR A 74 10.103 12.598 -8.005 1.00 0.00 C ATOM 0 H THR A 74 8.728 10.700 -5.335 1.00 0.00 H new ATOM 0 HA THR A 74 7.863 13.190 -6.665 1.00 0.00 H new ATOM 0 HB THR A 74 8.251 11.775 -8.739 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.925 10.127 -8.446 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.697 12.266 -8.856 1.00 0.00 H new ATOM 0 HG22 THR A 74 9.778 13.626 -8.168 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.707 12.548 -7.099 1.00 0.00 H new ATOM 1131 N TYR A 75 6.141 10.550 -5.969 1.00 0.00 N ATOM 1132 CA TYR A 75 4.766 10.027 -6.050 1.00 0.00 C ATOM 1133 C TYR A 75 3.782 11.169 -5.734 1.00 0.00 C ATOM 1134 O TYR A 75 4.101 11.985 -4.861 1.00 0.00 O ATOM 1135 CB TYR A 75 4.616 8.839 -5.083 1.00 0.00 C ATOM 1136 CG TYR A 75 3.192 8.495 -4.669 1.00 0.00 C ATOM 1137 CD1 TYR A 75 2.548 9.250 -3.670 1.00 0.00 C ATOM 1138 CD2 TYR A 75 2.498 7.441 -5.291 1.00 0.00 C ATOM 1139 CE1 TYR A 75 1.210 8.987 -3.334 1.00 0.00 C ATOM 1140 CE2 TYR A 75 1.161 7.164 -4.948 1.00 0.00 C ATOM 1141 CZ TYR A 75 0.507 7.939 -3.963 1.00 0.00 C ATOM 1142 OH TYR A 75 -0.783 7.676 -3.608 1.00 0.00 O ATOM 0 H TYR A 75 6.719 10.107 -5.255 1.00 0.00 H new ATOM 0 HA TYR A 75 4.544 9.661 -7.052 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.062 7.959 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.194 9.052 -4.184 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.086 10.035 -3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.995 6.839 -6.038 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.716 9.592 -2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.634 6.358 -5.438 1.00 0.00 H new ATOM 0 HH TYR A 75 -1.121 6.924 -4.138 1.00 0.00 H new ATOM 1152 N PRO A 76 2.589 11.254 -6.360 1.00 0.00 N ATOM 1153 CA PRO A 76 1.990 10.313 -7.311 1.00 0.00 C ATOM 1154 C PRO A 76 2.406 10.535 -8.775 1.00 0.00 C ATOM 1155 O PRO A 76 1.762 9.990 -9.674 1.00 0.00 O ATOM 1156 CB PRO A 76 0.476 10.488 -7.126 1.00 0.00 C ATOM 1157 CG PRO A 76 0.335 11.970 -6.789 1.00 0.00 C ATOM 1158 CD PRO A 76 1.615 12.284 -6.012 1.00 0.00 C ATOM 0 HA PRO A 76 2.336 9.300 -7.106 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.073 10.227 -8.031 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.092 9.855 -6.326 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.252 12.580 -7.689 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.555 12.162 -6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.991 13.274 -6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.424 12.287 -4.939 1.00 0.00 H new ATOM 1166 N ASP A 77 3.434 11.345 -9.064 1.00 0.00 N ATOM 1167 CA ASP A 77 3.980 11.441 -10.422 1.00 0.00 C ATOM 1168 C ASP A 77 4.420 10.083 -10.948 1.00 0.00 C ATOM 1169 O ASP A 77 4.105 9.730 -12.081 1.00 0.00 O ATOM 1170 CB ASP A 77 5.170 12.395 -10.451 1.00 0.00 C ATOM 1171 CG ASP A 77 5.425 12.891 -11.858 1.00 0.00 C ATOM 1172 OD1 ASP A 77 5.956 12.137 -12.697 1.00 0.00 O ATOM 1173 OD2 ASP A 77 5.060 14.065 -12.104 1.00 0.00 O ATOM 0 H ASP A 77 3.901 11.939 -8.379 1.00 0.00 H new ATOM 0 HA ASP A 77 3.184 11.821 -11.063 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.980 13.241 -9.791 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.058 11.888 -10.072 1.00 0.00 H new ATOM 1178 N VAL A 78 5.112 9.310 -10.112 1.00 0.00 N ATOM 1179 CA VAL A 78 5.554 7.960 -10.422 1.00 0.00 C ATOM 1180 C VAL A 78 4.884 6.991 -9.461 1.00 0.00 C ATOM 1181 O VAL A 78 4.328 7.371 -8.422 1.00 0.00 O ATOM 1182 CB VAL A 78 7.092 7.858 -10.394 1.00 0.00 C ATOM 1183 CG1 VAL A 78 7.740 8.864 -11.354 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.664 8.044 -8.983 1.00 0.00 C ATOM 0 H VAL A 78 5.385 9.617 -9.178 1.00 0.00 H new ATOM 0 HA VAL A 78 5.257 7.696 -11.437 1.00 0.00 H new ATOM 0 HB VAL A 78 7.334 6.848 -10.725 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.824 8.764 -11.308 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.400 8.667 -12.371 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.457 9.876 -11.066 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.750 7.963 -9.017 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.385 9.027 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.264 7.274 -8.324 1.00 0.00 H new ATOM 1194 N VAL A 79 4.974 5.714 -9.811 1.00 0.00 N ATOM 1195 CA VAL A 79 4.430 4.632 -9.022 1.00 0.00 C ATOM 1196 C VAL A 79 5.101 4.576 -7.636 1.00 0.00 C ATOM 1197 O VAL A 79 6.331 4.692 -7.527 1.00 0.00 O ATOM 1198 CB VAL A 79 4.534 3.311 -9.803 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.481 3.309 -10.910 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.892 3.064 -10.474 1.00 0.00 C ATOM 0 H VAL A 79 5.436 5.403 -10.666 1.00 0.00 H new ATOM 0 HA VAL A 79 3.371 4.809 -8.836 1.00 0.00 H new ATOM 0 HB VAL A 79 4.389 2.523 -9.064 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.545 2.377 -11.471 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.489 3.399 -10.468 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.657 4.149 -11.581 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.870 2.110 -11.000 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.098 3.865 -11.184 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.674 3.042 -9.715 1.00 0.00 H new ATOM 1210 N PRO A 80 4.313 4.388 -6.559 1.00 0.00 N ATOM 1211 CA PRO A 80 4.846 4.170 -5.226 1.00 0.00 C ATOM 1212 C PRO A 80 5.581 2.827 -5.162 1.00 0.00 C ATOM 1213 O PRO A 80 5.621 2.072 -6.137 1.00 0.00 O ATOM 1214 CB PRO A 80 3.651 4.253 -4.272 1.00 0.00 C ATOM 1215 CG PRO A 80 2.439 3.924 -5.138 1.00 0.00 C ATOM 1216 CD PRO A 80 2.872 4.193 -6.575 1.00 0.00 C ATOM 0 HA PRO A 80 5.588 4.917 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.752 3.546 -3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.565 5.246 -3.831 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.136 2.885 -5.009 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.584 4.542 -4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.604 3.357 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.368 5.075 -6.970 1.00 0.00 H new ATOM 1224 N GLU A 81 6.171 2.517 -4.008 1.00 0.00 N ATOM 1225 CA GLU A 81 6.651 1.170 -3.769 1.00 0.00 C ATOM 1226 C GLU A 81 5.488 0.295 -3.363 1.00 0.00 C ATOM 1227 O GLU A 81 4.420 0.774 -2.968 1.00 0.00 O ATOM 1228 CB GLU A 81 7.766 1.098 -2.718 1.00 0.00 C ATOM 1229 CG GLU A 81 7.366 1.400 -1.263 1.00 0.00 C ATOM 1230 CD GLU A 81 8.496 1.071 -0.278 1.00 0.00 C ATOM 1231 OE1 GLU A 81 9.667 0.953 -0.714 1.00 0.00 O ATOM 1232 OE2 GLU A 81 8.228 0.983 0.938 1.00 0.00 O ATOM 0 H GLU A 81 6.323 3.172 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 81 7.092 0.813 -4.700 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.200 0.099 -2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.551 1.797 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.100 2.453 -1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.479 0.823 -1.003 1.00 0.00 H new ATOM 1239 N ILE A 82 5.767 -0.996 -3.392 1.00 0.00 N ATOM 1240 CA ILE A 82 4.873 -2.047 -3.011 1.00 0.00 C ATOM 1241 C ILE A 82 5.729 -2.939 -2.117 1.00 0.00 C ATOM 1242 O ILE A 82 6.812 -3.360 -2.528 1.00 0.00 O ATOM 1243 CB ILE A 82 4.366 -2.775 -4.270 1.00 0.00 C ATOM 1244 CG1 ILE A 82 3.868 -1.857 -5.411 1.00 0.00 C ATOM 1245 CG2 ILE A 82 3.329 -3.825 -3.864 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.520 -1.175 -5.224 1.00 0.00 C ATOM 0 H ILE A 82 6.674 -1.346 -3.700 1.00 0.00 H new ATOM 0 HA ILE A 82 3.977 -1.709 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 82 5.231 -3.266 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.618 -1.082 -5.572 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.822 -2.450 -6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.968 -4.342 -4.753 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.787 -4.545 -3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.493 -3.336 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.297 -0.564 -6.099 1.00 0.00 H new ATOM 0 HD12 ILE A 82 1.744 -1.930 -5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.553 -0.542 -4.337 1.00 0.00 H new ATOM 1258 N ASP A 83 5.275 -3.216 -0.903 1.00 0.00 N ATOM 1259 CA ASP A 83 5.840 -4.211 -0.002 1.00 0.00 C ATOM 1260 C ASP A 83 4.673 -4.767 0.774 1.00 0.00 C ATOM 1261 O ASP A 83 3.838 -3.991 1.244 1.00 0.00 O ATOM 1262 CB ASP A 83 6.819 -3.623 1.013 1.00 0.00 C ATOM 1263 CG ASP A 83 8.280 -3.729 0.601 1.00 0.00 C ATOM 1264 OD1 ASP A 83 8.756 -4.884 0.476 1.00 0.00 O ATOM 1265 OD2 ASP A 83 8.959 -2.675 0.539 1.00 0.00 O ATOM 0 H ASP A 83 4.470 -2.734 -0.502 1.00 0.00 H new ATOM 0 HA ASP A 83 6.388 -4.946 -0.591 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.573 -2.573 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.684 -4.131 1.968 1.00 0.00 H new ATOM 1270 N LEU A 84 4.634 -6.087 0.944 1.00 0.00 N ATOM 1271 CA LEU A 84 3.650 -6.688 1.848 1.00 0.00 C ATOM 1272 C LEU A 84 4.341 -7.173 3.120 1.00 0.00 C ATOM 1273 O LEU A 84 5.485 -7.639 3.085 1.00 0.00 O ATOM 1274 CB LEU A 84 2.824 -7.802 1.183 1.00 0.00 C ATOM 1275 CG LEU A 84 1.887 -7.432 0.007 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.631 -5.935 -0.226 1.00 0.00 C ATOM 1277 CD2 LEU A 84 2.350 -8.043 -1.312 1.00 0.00 C ATOM 0 H LEU A 84 5.256 -6.750 0.481 1.00 0.00 H new ATOM 0 HA LEU A 84 2.930 -5.914 2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.520 -8.561 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.215 -8.268 1.957 1.00 0.00 H new ATOM 0 HG LEU A 84 0.940 -7.860 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.961 -5.809 -1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.175 -5.501 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.576 -5.432 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.662 -7.756 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.350 -7.681 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.369 -9.129 -1.223 1.00 0.00 H new ATOM 1289 N LYS A 85 3.647 -7.084 4.258 1.00 0.00 N ATOM 1290 CA LYS A 85 4.097 -7.584 5.562 1.00 0.00 C ATOM 1291 C LYS A 85 2.953 -8.346 6.225 1.00 0.00 C ATOM 1292 O LYS A 85 1.800 -8.191 5.828 1.00 0.00 O ATOM 1293 CB LYS A 85 4.518 -6.419 6.479 1.00 0.00 C ATOM 1294 CG LYS A 85 5.789 -5.653 6.082 1.00 0.00 C ATOM 1295 CD LYS A 85 7.079 -6.359 6.521 1.00 0.00 C ATOM 1296 CE LYS A 85 8.250 -5.382 6.368 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.537 -5.929 6.839 1.00 0.00 N ATOM 0 H LYS A 85 2.726 -6.648 4.299 1.00 0.00 H new ATOM 0 HA LYS A 85 4.955 -8.238 5.408 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.693 -5.708 6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.658 -6.812 7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.804 -5.522 5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.759 -4.657 6.524 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.995 -6.690 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.248 -7.249 5.915 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.345 -5.102 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.027 -4.470 6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.285 -5.219 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.463 -6.171 7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.771 -6.783 6.294 1.00 0.00 H new ATOM 1311 N ASN A 86 3.264 -9.119 7.266 1.00 0.00 N ATOM 1312 CA ASN A 86 2.339 -9.860 8.125 1.00 0.00 C ATOM 1313 C ASN A 86 1.290 -10.654 7.338 1.00 0.00 C ATOM 1314 O ASN A 86 0.143 -10.766 7.773 1.00 0.00 O ATOM 1315 CB ASN A 86 1.750 -8.934 9.198 1.00 0.00 C ATOM 1316 CG ASN A 86 2.747 -8.669 10.319 1.00 0.00 C ATOM 1317 OD1 ASN A 86 2.924 -9.494 11.213 1.00 0.00 O ATOM 1318 ND2 ASN A 86 3.442 -7.551 10.290 1.00 0.00 N ATOM 0 H ASN A 86 4.234 -9.253 7.551 1.00 0.00 H new ATOM 0 HA ASN A 86 2.907 -10.630 8.647 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.455 -7.989 8.742 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.847 -9.384 9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.135 -7.363 11.014 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.287 -6.873 9.544 1.00 0.00 H new ATOM 1325 N ALA A 87 1.658 -11.190 6.168 1.00 0.00 N ATOM 1326 CA ALA A 87 0.746 -11.945 5.325 1.00 0.00 C ATOM 1327 C ALA A 87 0.407 -13.262 6.010 1.00 0.00 C ATOM 1328 O ALA A 87 1.262 -14.143 6.143 1.00 0.00 O ATOM 1329 CB ALA A 87 1.355 -12.193 3.949 1.00 0.00 C ATOM 0 H ALA A 87 2.600 -11.108 5.786 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.167 -11.368 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.653 -12.760 3.337 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.567 -11.238 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.281 -12.758 4.057 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.832 -13.401 6.462 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.309 -14.575 7.182 1.00 0.00 C ATOM 1337 C LYS A 88 -2.052 -15.457 6.189 1.00 0.00 C ATOM 1338 O LYS A 88 -2.529 -14.967 5.164 1.00 0.00 O ATOM 1339 CB LYS A 88 -2.167 -14.069 8.353 1.00 0.00 C ATOM 1340 CG LYS A 88 -1.259 -13.567 9.494 1.00 0.00 C ATOM 1341 CD LYS A 88 -1.925 -12.469 10.339 1.00 0.00 C ATOM 1342 CE LYS A 88 -0.850 -11.640 11.043 1.00 0.00 C ATOM 1343 NZ LYS A 88 -1.388 -10.455 11.753 1.00 0.00 N ATOM 0 H LYS A 88 -1.549 -12.686 6.336 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.515 -15.188 7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.819 -13.264 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.811 -14.870 8.715 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.994 -14.405 10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.330 -13.183 9.072 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.535 -11.827 9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.593 -12.917 11.075 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.323 -12.273 11.757 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.116 -11.311 10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.608 -9.939 12.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.867 -9.831 11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.067 -10.763 12.478 1.00 0.00 H new ATOM 1357 N GLY A 89 -2.121 -16.761 6.437 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.701 -17.732 5.512 1.00 0.00 C ATOM 1359 C GLY A 89 -1.938 -17.869 4.183 1.00 0.00 C ATOM 1360 O GLY A 89 -2.395 -18.607 3.309 1.00 0.00 O ATOM 0 H GLY A 89 -1.771 -17.180 7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.736 -18.706 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.731 -17.445 5.299 1.00 0.00 H new ATOM 1364 N LEU A 90 -0.816 -17.151 4.006 1.00 0.00 N ATOM 1365 CA LEU A 90 0.090 -17.225 2.857 1.00 0.00 C ATOM 1366 C LEU A 90 1.551 -17.255 3.307 1.00 0.00 C ATOM 1367 O LEU A 90 2.392 -17.661 2.520 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.070 -15.992 1.936 1.00 0.00 C ATOM 1369 CG LEU A 90 -1.501 -15.709 1.456 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -1.522 -14.287 0.884 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -1.891 -16.793 0.457 1.00 0.00 C ATOM 0 H LEU A 90 -0.504 -16.470 4.698 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.168 -18.139 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.297 -15.114 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.568 -16.127 1.063 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.241 -15.745 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.526 -14.051 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.234 -13.578 1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.821 -14.219 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.906 -16.612 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.202 -16.774 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.845 -17.768 0.942 1.00 0.00 H new ATOM 1383 N SER A 91 1.883 -16.770 4.509 1.00 0.00 N ATOM 1384 CA SER A 91 3.239 -16.489 4.972 1.00 0.00 C ATOM 1385 C SER A 91 4.056 -15.636 3.992 1.00 0.00 C ATOM 1386 O SER A 91 4.129 -14.416 4.168 1.00 0.00 O ATOM 1387 CB SER A 91 3.921 -17.768 5.455 1.00 0.00 C ATOM 1388 OG SER A 91 3.219 -18.278 6.578 1.00 0.00 O ATOM 0 H SER A 91 1.179 -16.554 5.215 1.00 0.00 H new ATOM 0 HA SER A 91 3.171 -15.841 5.846 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.939 -18.509 4.656 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.958 -17.563 5.722 1.00 0.00 H new ATOM 0 HG SER A 91 3.653 -19.100 6.889 1.00 0.00 H new ATOM 1394 N ASN A 92 4.659 -16.216 2.953 1.00 0.00 N ATOM 1395 CA ASN A 92 5.176 -15.458 1.824 1.00 0.00 C ATOM 1396 C ASN A 92 5.009 -16.212 0.501 1.00 0.00 C ATOM 1397 O ASN A 92 5.886 -16.185 -0.351 1.00 0.00 O ATOM 1398 CB ASN A 92 6.608 -14.994 2.097 1.00 0.00 C ATOM 1399 CG ASN A 92 7.009 -13.900 1.118 1.00 0.00 C ATOM 1400 OD1 ASN A 92 7.931 -14.071 0.328 1.00 0.00 O ATOM 1401 ND2 ASN A 92 6.350 -12.754 1.163 1.00 0.00 N ATOM 0 H ASN A 92 4.800 -17.223 2.875 1.00 0.00 H new ATOM 0 HA ASN A 92 4.576 -14.555 1.708 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.688 -14.623 3.119 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.293 -15.837 2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.606 -11.993 0.533 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.586 -12.631 1.827 1.00 0.00 H new ATOM 1408 N GLU A 93 3.883 -16.899 0.323 1.00 0.00 N ATOM 1409 CA GLU A 93 3.505 -17.570 -0.911 1.00 0.00 C ATOM 1410 C GLU A 93 2.924 -16.525 -1.868 1.00 0.00 C ATOM 1411 O GLU A 93 3.676 -15.790 -2.515 1.00 0.00 O ATOM 1412 CB GLU A 93 2.499 -18.702 -0.612 1.00 0.00 C ATOM 1413 CG GLU A 93 3.128 -19.860 0.165 1.00 0.00 C ATOM 1414 CD GLU A 93 2.062 -20.755 0.799 1.00 0.00 C ATOM 1415 OE1 GLU A 93 1.460 -21.570 0.064 1.00 0.00 O ATOM 1416 OE2 GLU A 93 1.869 -20.651 2.029 1.00 0.00 O ATOM 0 H GLU A 93 3.187 -17.005 1.061 1.00 0.00 H new ATOM 0 HA GLU A 93 4.373 -18.032 -1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.663 -18.298 -0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.092 -19.078 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.751 -20.453 -0.505 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.782 -19.465 0.942 1.00 0.00 H new ATOM 1423 N SER A 94 1.591 -16.406 -1.953 1.00 0.00 N ATOM 1424 CA SER A 94 0.946 -15.619 -3.001 1.00 0.00 C ATOM 1425 C SER A 94 1.024 -14.109 -2.784 1.00 0.00 C ATOM 1426 O SER A 94 0.626 -13.305 -3.620 1.00 0.00 O ATOM 1427 CB SER A 94 -0.454 -16.144 -3.273 1.00 0.00 C ATOM 1428 OG SER A 94 -1.427 -15.639 -2.389 1.00 0.00 O ATOM 0 H SER A 94 0.941 -16.849 -1.303 1.00 0.00 H new ATOM 0 HA SER A 94 1.522 -15.759 -3.916 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.736 -15.890 -4.295 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.444 -17.232 -3.206 1.00 0.00 H new ATOM 0 HG SER A 94 -2.320 -15.867 -2.721 1.00 0.00 H new ATOM 1434 N VAL A 95 1.631 -13.734 -1.671 1.00 0.00 N ATOM 1435 CA VAL A 95 2.171 -12.418 -1.390 1.00 0.00 C ATOM 1436 C VAL A 95 2.963 -11.931 -2.602 1.00 0.00 C ATOM 1437 O VAL A 95 2.703 -10.845 -3.107 1.00 0.00 O ATOM 1438 CB VAL A 95 3.061 -12.508 -0.136 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.344 -11.135 0.456 1.00 0.00 C ATOM 1440 CG2 VAL A 95 2.410 -13.362 0.947 1.00 0.00 C ATOM 0 H VAL A 95 1.767 -14.380 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 95 1.371 -11.703 -1.199 1.00 0.00 H new ATOM 0 HB VAL A 95 3.995 -12.965 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.975 -11.242 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.856 -10.519 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.404 -10.659 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.064 -13.405 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.454 -12.922 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.246 -14.370 0.566 1.00 0.00 H new ATOM 1450 N ASN A 96 3.885 -12.757 -3.103 1.00 0.00 N ATOM 1451 CA ASN A 96 4.753 -12.391 -4.215 1.00 0.00 C ATOM 1452 C ASN A 96 3.949 -12.171 -5.487 1.00 0.00 C ATOM 1453 O ASN A 96 4.280 -11.274 -6.257 1.00 0.00 O ATOM 1454 CB ASN A 96 5.820 -13.470 -4.437 1.00 0.00 C ATOM 1455 CG ASN A 96 6.793 -13.478 -3.268 1.00 0.00 C ATOM 1456 OD1 ASN A 96 7.567 -12.543 -3.077 1.00 0.00 O ATOM 1457 ND2 ASN A 96 6.701 -14.454 -2.384 1.00 0.00 N ATOM 0 H ASN A 96 4.048 -13.698 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 96 5.249 -11.454 -3.963 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.347 -14.447 -4.536 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.356 -13.279 -5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.273 -14.433 -1.540 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.058 -15.229 -2.545 1.00 0.00 H new ATOM 1464 N LEU A 97 2.883 -12.956 -5.702 1.00 0.00 N ATOM 1465 CA LEU A 97 2.012 -12.757 -6.845 1.00 0.00 C ATOM 1466 C LEU A 97 1.394 -11.383 -6.748 1.00 0.00 C ATOM 1467 O LEU A 97 1.526 -10.561 -7.654 1.00 0.00 O ATOM 1468 CB LEU A 97 0.944 -13.851 -6.850 1.00 0.00 C ATOM 1469 CG LEU A 97 -0.066 -13.779 -8.002 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -0.756 -15.140 -7.957 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.125 -12.687 -7.835 1.00 0.00 C ATOM 0 H LEU A 97 2.613 -13.730 -5.095 1.00 0.00 H new ATOM 0 HA LEU A 97 2.570 -12.820 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.441 -14.820 -6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.398 -13.807 -5.907 1.00 0.00 H new ATOM 0 HG LEU A 97 0.444 -13.543 -8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.505 -15.195 -8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -0.017 -15.928 -8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.240 -15.271 -6.989 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.801 -12.701 -8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.692 -12.867 -6.922 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.638 -11.714 -7.774 1.00 0.00 H new ATOM 1483 N LEU A 98 0.714 -11.138 -5.630 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.033 -9.922 -5.460 1.00 0.00 C ATOM 1485 C LEU A 98 0.901 -8.727 -5.543 1.00 0.00 C ATOM 1486 O LEU A 98 0.528 -7.728 -6.136 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.766 -9.960 -4.121 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.667 -8.733 -3.918 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.701 -8.524 -5.032 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.407 -8.912 -2.602 1.00 0.00 C ATOM 0 H LEU A 98 0.673 -11.775 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.772 -9.827 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.370 -10.866 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.038 -10.012 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.021 -7.855 -3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.297 -7.638 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.188 -8.391 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.354 -9.395 -5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.057 -8.054 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.009 -9.820 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.687 -8.991 -1.787 1.00 0.00 H new ATOM 1502 N LYS A 99 2.126 -8.822 -5.025 1.00 0.00 N ATOM 1503 CA LYS A 99 3.084 -7.730 -5.113 1.00 0.00 C ATOM 1504 C LYS A 99 3.355 -7.341 -6.564 1.00 0.00 C ATOM 1505 O LYS A 99 3.290 -6.154 -6.878 1.00 0.00 O ATOM 1506 CB LYS A 99 4.369 -8.089 -4.348 1.00 0.00 C ATOM 1507 CG LYS A 99 4.934 -6.800 -3.750 1.00 0.00 C ATOM 1508 CD LYS A 99 5.991 -6.974 -2.666 1.00 0.00 C ATOM 1509 CE LYS A 99 7.228 -7.596 -3.274 1.00 0.00 C ATOM 1510 NZ LYS A 99 8.407 -7.520 -2.391 1.00 0.00 N ATOM 0 H LYS A 99 2.475 -9.648 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 99 2.655 -6.848 -4.638 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.156 -8.813 -3.562 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.096 -8.550 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.364 -6.206 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.108 -6.223 -3.335 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.235 -6.009 -2.221 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.607 -7.606 -1.865 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.024 -8.641 -3.509 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.454 -7.096 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.222 -7.962 -2.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.624 -6.524 -2.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.207 -8.021 -1.502 1.00 0.00 H new ATOM 1524 N SER A 100 3.561 -8.314 -7.454 1.00 0.00 N ATOM 1525 CA SER A 100 3.695 -8.052 -8.884 1.00 0.00 C ATOM 1526 C SER A 100 2.431 -7.385 -9.452 1.00 0.00 C ATOM 1527 O SER A 100 2.521 -6.477 -10.282 1.00 0.00 O ATOM 1528 CB SER A 100 3.985 -9.379 -9.596 1.00 0.00 C ATOM 1529 OG SER A 100 4.419 -9.158 -10.928 1.00 0.00 O ATOM 0 H SER A 100 3.639 -9.300 -7.203 1.00 0.00 H new ATOM 0 HA SER A 100 4.519 -7.357 -9.050 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.749 -9.930 -9.048 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.087 -9.997 -9.600 1.00 0.00 H new ATOM 0 HG SER A 100 4.599 -10.019 -11.360 1.00 0.00 H new ATOM 1535 N HIS A 101 1.249 -7.829 -9.016 1.00 0.00 N ATOM 1536 CA HIS A 101 -0.024 -7.339 -9.531 1.00 0.00 C ATOM 1537 C HIS A 101 -0.278 -5.899 -9.069 1.00 0.00 C ATOM 1538 O HIS A 101 -0.740 -5.071 -9.852 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.140 -8.303 -9.101 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.202 -9.582 -9.907 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -2.354 -10.244 -10.266 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -0.150 -10.295 -10.421 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -2.010 -11.307 -11.014 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -0.674 -11.368 -11.152 1.00 0.00 N ATOM 0 H HIS A 101 1.152 -8.542 -8.293 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.002 -7.310 -10.620 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.001 -8.556 -8.050 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.098 -7.790 -9.181 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.897 -10.069 -10.286 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.707 -12.011 -11.443 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -0.146 -12.060 -11.684 1.00 0.00 H new ATOM 1552 N LEU A 102 0.079 -5.577 -7.828 1.00 0.00 N ATOM 1553 CA LEU A 102 0.075 -4.241 -7.239 1.00 0.00 C ATOM 1554 C LEU A 102 1.082 -3.349 -7.941 1.00 0.00 C ATOM 1555 O LEU A 102 0.754 -2.195 -8.222 1.00 0.00 O ATOM 1556 CB LEU A 102 0.356 -4.359 -5.738 1.00 0.00 C ATOM 1557 CG LEU A 102 -0.765 -5.034 -4.949 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.281 -5.213 -3.505 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.089 -4.262 -4.959 1.00 0.00 C ATOM 0 H LEU A 102 0.398 -6.285 -7.167 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.902 -3.776 -7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.278 -4.922 -5.594 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.524 -3.362 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.978 -5.988 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.062 -5.694 -2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.614 -5.834 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.051 -4.238 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.832 -4.807 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.938 -3.275 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.439 -4.154 -5.985 1.00 0.00 H new ATOM 1571 N GLU A 103 2.263 -3.859 -8.278 1.00 0.00 N ATOM 1572 CA GLU A 103 3.211 -3.073 -9.059 1.00 0.00 C ATOM 1573 C GLU A 103 2.586 -2.668 -10.394 1.00 0.00 C ATOM 1574 O GLU A 103 2.676 -1.505 -10.776 1.00 0.00 O ATOM 1575 CB GLU A 103 4.549 -3.803 -9.257 1.00 0.00 C ATOM 1576 CG GLU A 103 5.497 -3.606 -8.064 1.00 0.00 C ATOM 1577 CD GLU A 103 6.957 -3.769 -8.478 1.00 0.00 C ATOM 1578 OE1 GLU A 103 7.329 -4.803 -9.061 1.00 0.00 O ATOM 1579 OE2 GLU A 103 7.727 -2.788 -8.309 1.00 0.00 O ATOM 0 H GLU A 103 2.582 -4.795 -8.028 1.00 0.00 H new ATOM 0 HA GLU A 103 3.439 -2.168 -8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.363 -4.867 -9.400 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.029 -3.439 -10.165 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.347 -2.614 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.256 -4.328 -7.283 1.00 0.00 H new ATOM 1586 N GLU A 104 1.901 -3.570 -11.097 1.00 0.00 N ATOM 1587 CA GLU A 104 1.336 -3.218 -12.394 1.00 0.00 C ATOM 1588 C GLU A 104 0.083 -2.366 -12.250 1.00 0.00 C ATOM 1589 O GLU A 104 -0.113 -1.427 -13.020 1.00 0.00 O ATOM 1590 CB GLU A 104 1.078 -4.474 -13.222 1.00 0.00 C ATOM 1591 CG GLU A 104 2.377 -4.962 -13.876 1.00 0.00 C ATOM 1592 CD GLU A 104 2.772 -4.106 -15.086 1.00 0.00 C ATOM 1593 OE1 GLU A 104 2.268 -4.387 -16.190 1.00 0.00 O ATOM 1594 OE2 GLU A 104 3.570 -3.139 -14.938 1.00 0.00 O ATOM 0 H GLU A 104 1.728 -4.529 -10.797 1.00 0.00 H new ATOM 0 HA GLU A 104 2.066 -2.609 -12.927 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.667 -5.258 -12.586 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.334 -4.264 -13.990 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.182 -4.943 -13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.257 -5.999 -14.190 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.735 -2.617 -11.228 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.868 -1.771 -10.899 1.00 0.00 C ATOM 1603 C LEU A 105 -1.388 -0.349 -10.661 1.00 0.00 C ATOM 1604 O LEU A 105 -2.005 0.590 -11.154 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.614 -2.333 -9.686 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.817 -1.452 -9.303 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.845 -1.315 -10.436 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.526 -2.037 -8.091 1.00 0.00 C ATOM 0 H LEU A 105 -0.625 -3.418 -10.606 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.571 -1.755 -11.732 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.958 -3.344 -9.906 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.931 -2.405 -8.840 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.413 -0.463 -9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.669 -0.683 -10.105 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.369 -0.864 -11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.228 -2.301 -10.701 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.376 -1.407 -7.827 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.878 -3.042 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.833 -2.082 -7.251 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.257 -0.172 -9.978 1.00 0.00 N ATOM 1621 CA ALA A 106 0.319 1.133 -9.774 1.00 0.00 C ATOM 1622 C ALA A 106 0.562 1.804 -11.126 1.00 0.00 C ATOM 1623 O ALA A 106 0.118 2.931 -11.306 1.00 0.00 O ATOM 1624 CB ALA A 106 1.578 1.017 -8.917 1.00 0.00 C ATOM 0 H ALA A 106 0.275 -0.934 -9.557 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.370 1.774 -9.225 1.00 0.00 H new ATOM 0 HB1 ALA A 106 2.008 2.007 -8.767 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.322 0.582 -7.951 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.304 0.379 -9.421 1.00 0.00 H new ATOM 1630 N LYS A 107 1.194 1.138 -12.104 1.00 0.00 N ATOM 1631 CA LYS A 107 1.416 1.750 -13.423 1.00 0.00 C ATOM 1632 C LYS A 107 0.108 2.110 -14.120 1.00 0.00 C ATOM 1633 O LYS A 107 0.080 3.067 -14.898 1.00 0.00 O ATOM 1634 CB LYS A 107 2.185 0.832 -14.380 1.00 0.00 C ATOM 1635 CG LYS A 107 3.691 0.785 -14.143 1.00 0.00 C ATOM 1636 CD LYS A 107 4.074 -0.210 -13.054 1.00 0.00 C ATOM 1637 CE LYS A 107 5.515 -0.688 -13.149 1.00 0.00 C ATOM 1638 NZ LYS A 107 5.765 -1.478 -14.372 1.00 0.00 N ATOM 0 H LYS A 107 1.556 0.189 -12.010 1.00 0.00 H new ATOM 0 HA LYS A 107 1.999 2.646 -13.211 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.785 -0.178 -14.293 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.002 1.160 -15.403 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.195 0.516 -15.071 1.00 0.00 H new ATOM 0 HG3 LYS A 107 4.044 1.778 -13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.916 0.252 -12.079 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.409 -1.072 -13.110 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.183 0.173 -13.133 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.753 -1.292 -12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.537 -2.153 -14.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.903 -1.998 -14.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.031 -0.840 -15.149 1.00 0.00 H new ATOM 1652 N LYS A 108 -0.948 1.321 -13.912 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.222 1.442 -14.602 1.00 0.00 C ATOM 1654 C LYS A 108 -2.999 2.609 -14.014 1.00 0.00 C ATOM 1655 O LYS A 108 -3.760 3.245 -14.747 1.00 0.00 O ATOM 1656 CB LYS A 108 -2.982 0.110 -14.501 1.00 0.00 C ATOM 1657 CG LYS A 108 -2.320 -0.965 -15.380 1.00 0.00 C ATOM 1658 CD LYS A 108 -2.813 -2.387 -15.091 1.00 0.00 C ATOM 1659 CE LYS A 108 -4.270 -2.589 -15.526 1.00 0.00 C ATOM 1660 NZ LYS A 108 -4.632 -4.021 -15.579 1.00 0.00 N ATOM 0 H LYS A 108 -0.934 0.557 -13.236 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.074 1.650 -15.662 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.003 -0.224 -13.464 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -4.017 0.252 -14.811 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.508 -0.731 -16.428 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.241 -0.927 -15.233 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.177 -3.104 -15.610 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -2.721 -2.593 -14.025 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -4.932 -2.072 -14.831 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -4.423 -2.139 -16.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -5.624 -4.118 -15.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -4.017 -4.510 -16.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.511 -4.445 -14.637 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.767 2.916 -12.736 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.402 4.001 -12.011 1.00 0.00 C ATOM 1676 C GLN A 109 -2.495 5.236 -11.943 1.00 0.00 C ATOM 1677 O GLN A 109 -2.888 6.277 -11.418 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.792 3.529 -10.597 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.712 2.292 -10.604 1.00 0.00 C ATOM 1680 CD GLN A 109 -6.108 2.518 -11.182 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.624 1.647 -11.879 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.768 3.631 -10.914 1.00 0.00 N ATOM 0 H GLN A 109 -2.106 2.392 -12.163 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.305 4.290 -12.549 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.887 3.298 -10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.293 4.344 -10.074 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.225 1.501 -11.174 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.815 1.931 -9.581 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.338 4.352 -10.335 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.708 3.769 -11.286 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.255 5.115 -12.427 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.260 6.160 -12.345 1.00 0.00 C ATOM 1693 C CYS A 110 -0.754 7.349 -13.160 1.00 0.00 C ATOM 1694 O CYS A 110 -1.195 7.193 -14.303 1.00 0.00 O ATOM 1695 CB CYS A 110 1.091 5.648 -12.855 1.00 0.00 C ATOM 1696 SG CYS A 110 2.379 6.862 -12.453 1.00 0.00 S ATOM 0 H CYS A 110 -0.921 4.271 -12.892 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.114 6.470 -11.310 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.325 4.687 -12.398 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.049 5.487 -13.932 1.00 0.00 H new ATOM 0 HG CYS A 110 3.529 6.433 -12.881 1.00 0.00 H new ATOM 1702 N GLY A 111 -0.668 8.531 -12.561 1.00 0.00 N ATOM 1703 CA GLY A 111 -1.294 9.739 -13.066 1.00 0.00 C ATOM 1704 C GLY A 111 -1.920 10.522 -11.921 1.00 0.00 C ATOM 1705 O GLY A 111 -1.971 11.749 -11.988 1.00 0.00 O ATOM 0 H GLY A 111 -0.150 8.675 -11.694 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.554 10.355 -13.576 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.057 9.483 -13.801 1.00 0.00 H new ATOM 1709 N GLU A 112 -2.297 9.864 -10.819 1.00 0.00 N ATOM 1710 CA GLU A 112 -2.855 10.492 -9.628 1.00 0.00 C ATOM 1711 C GLU A 112 -2.757 9.523 -8.444 1.00 0.00 C ATOM 1712 O GLU A 112 -2.066 8.502 -8.531 1.00 0.00 O ATOM 1713 CB GLU A 112 -4.286 10.986 -9.907 1.00 0.00 C ATOM 1714 CG GLU A 112 -5.300 9.890 -10.259 1.00 0.00 C ATOM 1715 CD GLU A 112 -6.520 10.549 -10.899 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -7.391 11.064 -10.157 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -6.556 10.685 -12.143 1.00 0.00 O ATOM 0 H GLU A 112 -2.218 8.851 -10.734 1.00 0.00 H new ATOM 0 HA GLU A 112 -2.279 11.377 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.645 11.522 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.252 11.704 -10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -4.856 9.168 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -5.592 9.341 -9.363 1.00 0.00 H new ATOM 1724 N VAL A 113 -3.392 9.883 -7.326 1.00 0.00 N ATOM 1725 CA VAL A 113 -3.483 9.060 -6.128 1.00 0.00 C ATOM 1726 C VAL A 113 -4.190 7.740 -6.462 1.00 0.00 C ATOM 1727 O VAL A 113 -5.074 7.687 -7.320 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.188 9.852 -5.005 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.306 11.035 -4.575 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -5.567 10.397 -5.414 1.00 0.00 C ATOM 0 H VAL A 113 -3.868 10.780 -7.231 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.488 8.807 -5.763 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.342 9.150 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.806 11.592 -3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.350 10.662 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.136 11.691 -5.429 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.005 10.942 -4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.455 11.068 -6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.219 9.568 -5.688 1.00 0.00 H new ATOM 1740 N MET A 114 -3.757 6.656 -5.818 1.00 0.00 N ATOM 1741 CA MET A 114 -4.117 5.285 -6.196 1.00 0.00 C ATOM 1742 C MET A 114 -4.281 4.377 -4.975 1.00 0.00 C ATOM 1743 O MET A 114 -4.750 3.258 -5.147 1.00 0.00 O ATOM 1744 CB MET A 114 -3.038 4.742 -7.144 1.00 0.00 C ATOM 1745 CG MET A 114 -1.640 4.701 -6.517 1.00 0.00 C ATOM 1746 SD MET A 114 -0.342 4.039 -7.586 1.00 0.00 S ATOM 1747 CE MET A 114 -0.219 5.367 -8.814 1.00 0.00 C ATOM 0 H MET A 114 -3.138 6.704 -5.008 1.00 0.00 H new ATOM 0 HA MET A 114 -5.084 5.299 -6.700 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.316 3.737 -7.460 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.008 5.361 -8.041 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.363 5.712 -6.218 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.683 4.100 -5.609 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.656 5.201 -9.443 1.00 0.00 H new ATOM 0 HE2 MET A 114 -1.116 5.374 -9.434 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.123 6.326 -8.305 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.907 4.794 -3.754 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.866 3.914 -2.574 1.00 0.00 C ATOM 1759 C ILE A 115 -5.254 3.313 -2.286 1.00 0.00 C ATOM 1760 O ILE A 115 -5.328 2.172 -1.822 1.00 0.00 O ATOM 1761 CB ILE A 115 -3.199 4.634 -1.360 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.665 4.720 -1.583 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -3.479 3.928 -0.018 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -0.897 5.449 -0.466 1.00 0.00 C ATOM 0 H ILE A 115 -3.624 5.754 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 115 -3.224 3.059 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 115 -3.637 5.631 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.268 3.710 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.476 5.229 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.990 4.474 0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.554 3.901 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.091 2.910 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.167 5.462 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -1.262 6.472 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.051 4.930 0.480 1.00 0.00 H new ATOM 1776 N PHE A 116 -6.347 4.018 -2.597 1.00 0.00 N ATOM 1777 CA PHE A 116 -7.693 3.454 -2.498 1.00 0.00 C ATOM 1778 C PHE A 116 -7.895 2.287 -3.465 1.00 0.00 C ATOM 1779 O PHE A 116 -8.509 1.292 -3.083 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.752 4.536 -2.726 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.925 5.492 -1.566 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -9.468 5.020 -0.357 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -8.572 6.849 -1.686 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -9.620 5.893 0.728 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -8.726 7.721 -0.592 1.00 0.00 C ATOM 1786 CZ PHE A 116 -9.242 7.241 0.621 1.00 0.00 C ATOM 0 H PHE A 116 -6.323 4.985 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.808 3.062 -1.487 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -8.486 5.107 -3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.708 4.055 -2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.767 3.986 -0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -8.181 7.223 -2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.032 5.525 1.656 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -8.447 8.760 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.348 7.904 1.467 1.00 0.00 H new ATOM 1796 N GLU A 117 -7.397 2.380 -4.700 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.468 1.294 -5.676 1.00 0.00 C ATOM 1798 C GLU A 117 -6.631 0.122 -5.182 1.00 0.00 C ATOM 1799 O GLU A 117 -7.105 -1.010 -5.144 1.00 0.00 O ATOM 1800 CB GLU A 117 -6.937 1.738 -7.054 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.767 1.289 -8.262 1.00 0.00 C ATOM 1802 CD GLU A 117 -8.360 -0.139 -8.269 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -9.321 -0.403 -7.508 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -7.955 -0.961 -9.119 1.00 0.00 O ATOM 0 H GLU A 117 -6.931 3.216 -5.052 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.513 1.005 -5.785 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.873 2.826 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.922 1.357 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.594 1.990 -8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -7.141 1.391 -9.149 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.382 0.414 -4.788 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.405 -0.599 -4.410 1.00 0.00 C ATOM 1813 C LEU A 118 -5.018 -1.455 -3.308 1.00 0.00 C ATOM 1814 O LEU A 118 -5.079 -2.675 -3.426 1.00 0.00 O ATOM 1815 CB LEU A 118 -3.049 -0.004 -3.965 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.386 1.082 -4.844 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.899 1.227 -4.488 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.634 0.966 -6.358 1.00 0.00 C ATOM 0 H LEU A 118 -5.027 1.368 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.177 -1.204 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.184 0.416 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.342 -0.828 -3.870 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.900 2.010 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.448 1.995 -5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.802 1.511 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.391 0.277 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.122 1.779 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -2.252 0.011 -6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.704 1.027 -6.557 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.529 -0.808 -2.261 1.00 0.00 N ATOM 1831 CA ALA A 119 -6.222 -1.485 -1.183 1.00 0.00 C ATOM 1832 C ALA A 119 -7.414 -2.329 -1.650 1.00 0.00 C ATOM 1833 O ALA A 119 -7.514 -3.496 -1.274 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.677 -0.455 -0.161 1.00 0.00 C ATOM 0 H ALA A 119 -5.470 0.203 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.516 -2.186 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -7.199 -0.957 0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.809 0.073 0.235 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.349 0.259 -0.638 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.327 -1.757 -2.439 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.501 -2.469 -2.953 1.00 0.00 C ATOM 1842 C HIS A 120 -9.072 -3.770 -3.648 1.00 0.00 C ATOM 1843 O HIS A 120 -9.611 -4.840 -3.358 1.00 0.00 O ATOM 1844 CB HIS A 120 -10.315 -1.557 -3.896 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.783 -1.478 -3.550 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.781 -2.211 -4.141 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -12.374 -0.670 -2.612 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.939 -1.882 -3.559 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -13.754 -0.936 -2.619 1.00 0.00 N ATOM 0 H HIS A 120 -8.273 -0.784 -2.741 1.00 0.00 H new ATOM 0 HA HIS A 120 -10.148 -2.738 -2.118 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.891 -0.553 -3.871 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.211 -1.922 -4.918 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -11.868 0.045 -1.980 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.895 -2.317 -3.810 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -14.468 -0.502 -2.033 1.00 0.00 H new ATOM 1857 N HIS A 121 -8.060 -3.680 -4.515 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.495 -4.789 -5.268 1.00 0.00 C ATOM 1859 C HIS A 121 -6.963 -5.899 -4.354 1.00 0.00 C ATOM 1860 O HIS A 121 -7.192 -7.083 -4.629 1.00 0.00 O ATOM 1861 CB HIS A 121 -6.388 -4.229 -6.165 1.00 0.00 C ATOM 1862 CG HIS A 121 -5.799 -5.242 -7.102 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -6.176 -5.425 -8.407 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -4.743 -6.069 -6.845 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -5.366 -6.359 -8.931 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -4.481 -6.795 -8.010 1.00 0.00 N ATOM 0 H HIS A 121 -7.597 -2.793 -4.715 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.275 -5.252 -5.872 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.789 -3.399 -6.747 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.594 -3.824 -5.537 1.00 0.00 H new ATOM 0 HD1 HIS A 121 -6.932 -4.941 -8.891 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.207 -6.148 -5.911 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.416 -6.713 -9.950 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.251 -5.536 -3.278 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.799 -6.470 -2.254 1.00 0.00 C ATOM 1876 C VAL A 122 -7.006 -7.169 -1.639 1.00 0.00 C ATOM 1877 O VAL A 122 -7.000 -8.398 -1.581 1.00 0.00 O ATOM 1878 CB VAL A 122 -4.962 -5.758 -1.170 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.627 -6.698 0.002 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.662 -5.174 -1.719 1.00 0.00 C ATOM 0 H VAL A 122 -5.973 -4.571 -3.098 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.152 -7.213 -2.720 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.587 -4.939 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.037 -6.159 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.551 -7.052 0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.056 -7.550 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.114 -4.685 -0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.053 -5.974 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -3.890 -4.445 -2.497 1.00 0.00 H new ATOM 1890 N GLN A 123 -8.027 -6.436 -1.177 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.179 -7.061 -0.526 1.00 0.00 C ATOM 1892 C GLN A 123 -9.820 -8.080 -1.476 1.00 0.00 C ATOM 1893 O GLN A 123 -10.078 -9.216 -1.067 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.173 -6.008 0.013 1.00 0.00 C ATOM 1895 CG GLN A 123 -9.531 -5.158 1.122 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.508 -4.382 2.010 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -10.705 -4.739 3.165 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -11.048 -3.254 1.571 1.00 0.00 N ATOM 0 H GLN A 123 -8.077 -5.419 -1.242 1.00 0.00 H new ATOM 0 HA GLN A 123 -8.842 -7.608 0.355 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.500 -5.362 -0.801 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.061 -6.507 0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.933 -5.812 1.756 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.845 -4.448 0.660 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.887 -2.952 0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.624 -2.688 2.194 1.00 0.00 H new ATOM 1907 N SER A 124 -9.974 -7.748 -2.761 1.00 0.00 N ATOM 1908 CA SER A 124 -10.496 -8.670 -3.765 1.00 0.00 C ATOM 1909 C SER A 124 -9.631 -9.935 -3.869 1.00 0.00 C ATOM 1910 O SER A 124 -10.162 -11.046 -3.843 1.00 0.00 O ATOM 1911 CB SER A 124 -10.601 -7.953 -5.116 1.00 0.00 C ATOM 1912 OG SER A 124 -11.336 -6.748 -4.990 1.00 0.00 O ATOM 0 H SER A 124 -9.738 -6.828 -3.132 1.00 0.00 H new ATOM 0 HA SER A 124 -11.492 -8.992 -3.460 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.603 -7.737 -5.497 1.00 0.00 H new ATOM 0 HB3 SER A 124 -11.085 -8.605 -5.843 1.00 0.00 H new ATOM 0 HG SER A 124 -10.760 -6.052 -4.610 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.301 -9.800 -3.945 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.401 -10.921 -4.094 1.00 0.00 C ATOM 1920 C PHE A 125 -7.412 -11.784 -2.844 1.00 0.00 C ATOM 1921 O PHE A 125 -7.322 -13.007 -2.947 1.00 0.00 O ATOM 1922 CB PHE A 125 -5.996 -10.372 -4.302 1.00 0.00 C ATOM 1923 CG PHE A 125 -4.938 -11.443 -4.323 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.625 -12.147 -5.497 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.283 -11.738 -3.122 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.591 -13.104 -5.473 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.213 -12.650 -3.104 1.00 0.00 C ATOM 1928 CZ PHE A 125 -2.866 -13.325 -4.288 1.00 0.00 C ATOM 0 H PHE A 125 -7.828 -8.897 -3.903 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.715 -11.531 -4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -5.964 -9.820 -5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -5.769 -9.662 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.171 -11.957 -6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.601 -11.263 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.355 -13.667 -6.364 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.664 -12.830 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.037 -14.018 -4.287 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.461 -11.165 -1.659 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.442 -11.896 -0.403 1.00 0.00 C ATOM 1940 C LEU A 126 -8.635 -12.849 -0.395 1.00 0.00 C ATOM 1941 O LEU A 126 -8.499 -14.044 -0.134 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.482 -10.951 0.809 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.148 -10.250 1.122 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.387 -9.206 2.215 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.075 -11.238 1.596 1.00 0.00 C ATOM 0 H LEU A 126 -7.514 -10.152 -1.552 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.511 -12.456 -0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.244 -10.191 0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.793 -11.519 1.686 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.787 -9.783 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.449 -8.701 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.116 -8.475 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.766 -9.698 3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.151 -10.699 1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.416 -11.739 2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -4.894 -11.980 0.818 1.00 0.00 H new ATOM 1957 N SER A 127 -9.805 -12.307 -0.737 1.00 0.00 N ATOM 1958 CA SER A 127 -11.059 -13.037 -0.865 1.00 0.00 C ATOM 1959 C SER A 127 -10.937 -14.250 -1.798 1.00 0.00 C ATOM 1960 O SER A 127 -11.634 -15.248 -1.616 1.00 0.00 O ATOM 1961 CB SER A 127 -12.175 -12.126 -1.372 1.00 0.00 C ATOM 1962 OG SER A 127 -12.107 -10.842 -0.796 1.00 0.00 O ATOM 0 H SER A 127 -9.905 -11.312 -0.939 1.00 0.00 H new ATOM 0 HA SER A 127 -11.305 -13.398 0.134 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.110 -12.041 -2.457 1.00 0.00 H new ATOM 0 HB3 SER A 127 -13.142 -12.575 -1.145 1.00 0.00 H new ATOM 0 HG SER A 127 -11.484 -10.286 -1.309 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.072 -14.181 -2.805 1.00 0.00 N ATOM 1969 CA GLU A 128 -9.805 -15.241 -3.754 1.00 0.00 C ATOM 1970 C GLU A 128 -9.170 -16.459 -3.088 1.00 0.00 C ATOM 1971 O GLU A 128 -9.741 -17.540 -3.149 1.00 0.00 O ATOM 1972 CB GLU A 128 -8.932 -14.659 -4.875 1.00 0.00 C ATOM 1973 CG GLU A 128 -9.507 -14.954 -6.251 1.00 0.00 C ATOM 1974 CD GLU A 128 -8.808 -16.087 -6.997 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -8.555 -17.170 -6.416 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -8.594 -15.883 -8.215 1.00 0.00 O ATOM 0 H GLU A 128 -9.516 -13.345 -2.984 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.740 -15.607 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -8.842 -13.581 -4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -7.927 -15.074 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.563 -15.203 -6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.452 -14.049 -6.856 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.038 -16.320 -2.390 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.511 -17.465 -1.635 1.00 0.00 C ATOM 1985 C HIS A 129 -8.444 -17.847 -0.489 1.00 0.00 C ATOM 1986 O HIS A 129 -8.427 -18.993 -0.036 1.00 0.00 O ATOM 1987 CB HIS A 129 -6.149 -17.159 -1.017 1.00 0.00 C ATOM 1988 CG HIS A 129 -4.984 -17.402 -1.930 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -3.958 -18.279 -1.668 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -4.736 -16.801 -3.134 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -3.081 -18.175 -2.673 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -3.491 -17.260 -3.574 1.00 0.00 N ATOM 0 H HIS A 129 -7.487 -15.464 -2.330 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.424 -18.281 -2.353 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -6.134 -16.117 -0.699 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -6.026 -17.767 -0.121 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -5.381 -16.103 -3.648 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -2.168 -18.747 -2.752 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -2.991 -16.961 -4.412 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.196 -16.880 0.035 1.00 0.00 N ATOM 2001 CA ASN A 130 -10.101 -17.112 1.145 1.00 0.00 C ATOM 2002 C ASN A 130 -11.196 -18.096 0.730 1.00 0.00 C ATOM 2003 O ASN A 130 -11.283 -19.162 1.333 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.672 -15.791 1.648 1.00 0.00 C ATOM 2005 CG ASN A 130 -11.727 -16.032 2.702 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -12.895 -16.154 2.363 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -11.347 -16.077 3.963 1.00 0.00 N ATOM 0 H ASN A 130 -9.191 -15.917 -0.302 1.00 0.00 H new ATOM 0 HA ASN A 130 -9.554 -17.561 1.974 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -9.872 -15.177 2.061 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.103 -15.235 0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -12.039 -16.218 4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -10.361 -15.971 4.203 1.00 0.00 H new