USER MOD reduce.3.24.130724 H: found=0, std=0, add=1044, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1045 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 83 TYR OH : rot -65:sc= 1.13 USER MOD Set 1.2: A 127 HIS :FLIP no HE2:sc= 0.637 F(o=-3.3,f=1.8) USER MOD Set 2.1: A 69 THR OG1 : rot -46:sc= 0.00668 USER MOD Set 2.2: A 82 HIS : no HE2:sc= 0.393 K(o=0.4,f=-3.2!) USER MOD Set 3.1: A 25 TYR OH : rot 180:sc= 0.756 USER MOD Set 3.2: A 28 SER OG : rot -94:sc= 0.858 USER MOD Set 4.1: A 21 CYS SG : rot 29:sc= 1.53 USER MOD Set 4.2: A 136 GLN :FLIP amide:sc= 0.635 F(o=-0.51,f=2.2) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 22 SER OG : rot -18:sc= 1.31 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 31 THR OG1 : rot 180:sc=-0.00185 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 44 SER OG : rot 72:sc= 0.123 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -68:sc= -0.032 USER MOD Single : A 51 SER OG : rot 8:sc= 0.249 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.495) USER MOD Single : A 64 SER OG : rot 180:sc= 0.111 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -0.71 K(o=-0.71,f=-2!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.76) USER MOD Single : A 87 SER OG : rot 129:sc= -0.161 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 91 SER OG : rot -130:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -4.45! C(o=-4.5!,f=-9.7!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -0.151 F(o=-0.92,f=-0.15) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.00267 USER MOD Single : A 108 SER OG : rot -13:sc= 0.854 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.159 K(o=-0.16,f=-0.8) USER MOD Single : A 126 CYS SG : rot 46:sc= -0.456 USER MOD Single : A 143 THR OG1 : rot 78:sc= 0.86 USER MOD Single : A 146 THR OG1 : rot 180:sc= -0.031 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 15 11.049 1.690 -13.800 1.00 0.00 N ATOM 160 CA LEU A 15 11.226 2.963 -13.110 1.00 0.00 C ATOM 161 C LEU A 15 11.009 4.134 -14.063 1.00 0.00 C ATOM 162 O LEU A 15 10.251 5.057 -13.766 1.00 0.00 O ATOM 163 CB LEU A 15 12.625 3.042 -12.497 1.00 0.00 C ATOM 164 CG LEU A 15 12.795 2.389 -11.125 1.00 0.00 C ATOM 165 CD1 LEU A 15 12.536 3.398 -10.017 1.00 0.00 C ATOM 166 CD2 LEU A 15 11.866 1.191 -10.986 1.00 0.00 C ATOM 0 HA LEU A 15 10.483 3.024 -12.315 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.329 2.578 -13.188 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.905 4.092 -12.414 1.00 0.00 H new ATOM 0 HG LEU A 15 13.823 2.039 -11.036 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.662 2.915 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.242 4.224 -10.105 1.00 0.00 H new ATOM 0 HD13 LEU A 15 11.519 3.779 -10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.000 0.738 -10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.832 1.518 -11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.100 0.458 -11.758 1.00 0.00 H new ATOM 178 N ARG A 16 11.678 4.087 -15.211 1.00 0.00 N ATOM 179 CA ARG A 16 11.558 5.144 -16.209 1.00 0.00 C ATOM 180 C ARG A 16 10.092 5.457 -16.494 1.00 0.00 C ATOM 181 O ARG A 16 9.685 6.619 -16.496 1.00 0.00 O ATOM 182 CB ARG A 16 12.264 4.735 -17.503 1.00 0.00 C ATOM 183 CG ARG A 16 13.727 5.145 -17.553 1.00 0.00 C ATOM 184 CD ARG A 16 14.623 4.089 -16.928 1.00 0.00 C ATOM 185 NE ARG A 16 14.738 4.255 -15.481 1.00 0.00 N ATOM 186 CZ ARG A 16 15.401 5.252 -14.906 1.00 0.00 C ATOM 187 NH1 ARG A 16 16.005 6.168 -15.652 1.00 0.00 N ATOM 188 NH2 ARG A 16 15.460 5.335 -13.584 1.00 0.00 N ATOM 0 H ARG A 16 12.308 3.329 -15.473 1.00 0.00 H new ATOM 0 HA ARG A 16 12.033 6.041 -15.812 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.194 3.653 -17.619 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.741 5.181 -18.349 1.00 0.00 H new ATOM 0 HG2 ARG A 16 14.025 5.310 -18.589 1.00 0.00 H new ATOM 0 HG3 ARG A 16 13.859 6.092 -17.029 1.00 0.00 H new ATOM 0 HD2 ARG A 16 14.225 3.099 -17.149 1.00 0.00 H new ATOM 0 HD3 ARG A 16 15.614 4.142 -17.379 1.00 0.00 H new ATOM 0 HE ARG A 16 14.284 3.568 -14.879 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.961 6.107 -16.669 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.514 6.933 -15.208 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.996 4.633 -13.008 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.969 6.101 -13.143 1.00 0.00 H new ATOM 202 N GLN A 17 9.305 4.414 -16.734 1.00 0.00 N ATOM 203 CA GLN A 17 7.885 4.579 -17.022 1.00 0.00 C ATOM 204 C GLN A 17 7.116 4.967 -15.763 1.00 0.00 C ATOM 205 O GLN A 17 6.180 5.764 -15.816 1.00 0.00 O ATOM 206 CB GLN A 17 7.308 3.290 -17.609 1.00 0.00 C ATOM 207 CG GLN A 17 6.679 2.376 -16.570 1.00 0.00 C ATOM 208 CD GLN A 17 6.577 0.939 -17.041 1.00 0.00 C ATOM 209 OE1 GLN A 17 7.559 0.352 -17.497 1.00 0.00 O ATOM 210 NE2 GLN A 17 5.385 0.363 -16.934 1.00 0.00 N ATOM 0 H GLN A 17 9.626 3.446 -16.735 1.00 0.00 H new ATOM 0 HA GLN A 17 7.779 5.381 -17.753 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.558 3.545 -18.358 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.101 2.749 -18.124 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.269 2.413 -15.654 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.683 2.745 -16.323 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.598 0.887 -16.550 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.256 -0.603 -17.236 1.00 0.00 H new ATOM 219 N GLY A 18 7.517 4.396 -14.631 1.00 0.00 N ATOM 220 CA GLY A 18 6.854 4.694 -13.375 1.00 0.00 C ATOM 221 C GLY A 18 5.400 4.267 -13.371 1.00 0.00 C ATOM 222 O GLY A 18 4.745 4.261 -14.412 1.00 0.00 O ATOM 0 H GLY A 18 8.289 3.733 -14.562 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.379 4.192 -12.563 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.915 5.765 -13.180 1.00 0.00 H new ATOM 226 N ALA A 19 4.894 3.906 -12.196 1.00 0.00 N ATOM 227 CA ALA A 19 3.508 3.476 -12.061 1.00 0.00 C ATOM 228 C ALA A 19 2.741 4.387 -11.109 1.00 0.00 C ATOM 229 O ALA A 19 3.126 4.560 -9.953 1.00 0.00 O ATOM 230 CB ALA A 19 3.448 2.034 -11.578 1.00 0.00 C ATOM 0 H ALA A 19 5.423 3.903 -11.324 1.00 0.00 H new ATOM 0 HA ALA A 19 3.036 3.539 -13.042 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.407 1.726 -11.481 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.953 1.388 -12.297 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.941 1.954 -10.609 1.00 0.00 H new ATOM 236 N ALA A 20 1.652 4.969 -11.603 1.00 0.00 N ATOM 237 CA ALA A 20 0.830 5.861 -10.796 1.00 0.00 C ATOM 238 C ALA A 20 -0.638 5.767 -11.196 1.00 0.00 C ATOM 239 O ALA A 20 -0.999 6.049 -12.340 1.00 0.00 O ATOM 240 CB ALA A 20 1.324 7.295 -10.925 1.00 0.00 C ATOM 0 H ALA A 20 1.319 4.838 -12.558 1.00 0.00 H new ATOM 0 HA ALA A 20 0.916 5.551 -9.755 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.701 7.951 -10.317 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.357 7.356 -10.583 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.268 7.607 -11.968 1.00 0.00 H new ATOM 246 N CYS A 21 -1.481 5.369 -10.249 1.00 0.00 N ATOM 247 CA CYS A 21 -2.911 5.237 -10.504 1.00 0.00 C ATOM 248 C CYS A 21 -3.707 5.358 -9.209 1.00 0.00 C ATOM 249 O CYS A 21 -3.138 5.376 -8.118 1.00 0.00 O ATOM 250 CB CYS A 21 -3.208 3.895 -11.176 1.00 0.00 C ATOM 251 SG CYS A 21 -3.035 3.916 -12.976 1.00 0.00 S ATOM 0 H CYS A 21 -1.199 5.132 -9.298 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.213 6.044 -11.171 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.538 3.139 -10.766 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.224 3.591 -10.923 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.144 4.799 -13.316 1.00 0.00 H new ATOM 257 N SER A 22 -5.028 5.443 -9.339 1.00 0.00 N ATOM 258 CA SER A 22 -5.903 5.569 -8.179 1.00 0.00 C ATOM 259 C SER A 22 -6.125 4.213 -7.517 1.00 0.00 C ATOM 260 O SER A 22 -5.995 3.168 -8.155 1.00 0.00 O ATOM 261 CB SER A 22 -7.246 6.174 -8.591 1.00 0.00 C ATOM 262 OG SER A 22 -7.847 6.866 -7.510 1.00 0.00 O ATOM 0 H SER A 22 -5.515 5.427 -10.235 1.00 0.00 H new ATOM 0 HA SER A 22 -5.420 6.230 -7.460 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.099 6.857 -9.428 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.913 5.385 -8.937 1.00 0.00 H new ATOM 0 HG SER A 22 -7.438 6.576 -6.668 1.00 0.00 H new ATOM 268 N VAL A 23 -6.461 4.237 -6.231 1.00 0.00 N ATOM 269 CA VAL A 23 -6.702 3.011 -5.480 1.00 0.00 C ATOM 270 C VAL A 23 -7.877 3.175 -4.522 1.00 0.00 C ATOM 271 O VAL A 23 -8.442 4.263 -4.396 1.00 0.00 O ATOM 272 CB VAL A 23 -5.456 2.589 -4.679 1.00 0.00 C ATOM 273 CG1 VAL A 23 -4.258 2.425 -5.601 1.00 0.00 C ATOM 274 CG2 VAL A 23 -5.161 3.600 -3.582 1.00 0.00 C ATOM 0 H VAL A 23 -6.572 5.093 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.936 2.235 -6.209 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.656 1.626 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.387 2.127 -5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.475 1.660 -6.346 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.052 3.371 -6.102 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.278 3.286 -3.026 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.981 4.578 -4.028 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.013 3.661 -2.905 1.00 0.00 H new ATOM 284 N LEU A 24 -8.241 2.089 -3.849 1.00 0.00 N ATOM 285 CA LEU A 24 -9.349 2.112 -2.901 1.00 0.00 C ATOM 286 C LEU A 24 -8.841 2.007 -1.467 1.00 0.00 C ATOM 287 O LEU A 24 -8.349 0.960 -1.047 1.00 0.00 O ATOM 288 CB LEU A 24 -10.321 0.968 -3.195 1.00 0.00 C ATOM 289 CG LEU A 24 -11.660 1.018 -2.457 1.00 0.00 C ATOM 290 CD1 LEU A 24 -11.462 0.746 -0.974 1.00 0.00 C ATOM 291 CD2 LEU A 24 -12.335 2.365 -2.669 1.00 0.00 C ATOM 0 H LEU A 24 -7.785 1.181 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.871 3.062 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.520 0.953 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.828 0.027 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.308 0.242 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.425 0.786 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.022 -0.242 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.797 1.499 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.286 2.383 -2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.691 3.158 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.512 2.520 -3.733 1.00 0.00 H new ATOM 303 N TYR A 25 -8.967 3.098 -0.719 1.00 0.00 N ATOM 304 CA TYR A 25 -8.520 3.129 0.668 1.00 0.00 C ATOM 305 C TYR A 25 -9.564 2.506 1.591 1.00 0.00 C ATOM 306 O TYR A 25 -10.593 3.115 1.884 1.00 0.00 O ATOM 307 CB TYR A 25 -8.234 4.567 1.102 1.00 0.00 C ATOM 308 CG TYR A 25 -7.902 4.702 2.571 1.00 0.00 C ATOM 309 CD1 TYR A 25 -6.798 4.058 3.116 1.00 0.00 C ATOM 310 CD2 TYR A 25 -8.693 5.472 3.414 1.00 0.00 C ATOM 311 CE1 TYR A 25 -6.492 4.178 4.458 1.00 0.00 C ATOM 312 CE2 TYR A 25 -8.394 5.599 4.757 1.00 0.00 C ATOM 313 CZ TYR A 25 -7.292 4.950 5.274 1.00 0.00 C ATOM 314 OH TYR A 25 -6.991 5.072 6.611 1.00 0.00 O ATOM 0 H TYR A 25 -9.375 3.972 -1.050 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.602 2.545 0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -7.404 4.957 0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.103 5.185 0.876 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.168 3.453 2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.557 5.980 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.631 3.670 4.866 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -9.019 6.203 5.398 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.653 5.651 7.044 1.00 0.00 H new ATOM 324 N LEU A 26 -9.290 1.288 2.045 1.00 0.00 N ATOM 325 CA LEU A 26 -10.204 0.580 2.935 1.00 0.00 C ATOM 326 C LEU A 26 -10.140 1.151 4.348 1.00 0.00 C ATOM 327 O LEU A 26 -11.109 1.730 4.841 1.00 0.00 O ATOM 328 CB LEU A 26 -9.870 -0.912 2.960 1.00 0.00 C ATOM 329 CG LEU A 26 -9.937 -1.638 1.616 1.00 0.00 C ATOM 330 CD1 LEU A 26 -9.390 -3.051 1.745 1.00 0.00 C ATOM 331 CD2 LEU A 26 -11.367 -1.664 1.095 1.00 0.00 C ATOM 0 H LEU A 26 -8.443 0.770 1.812 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.217 0.713 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.865 -1.032 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.554 -1.405 3.651 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.320 -1.095 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.446 -3.552 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.351 -3.011 2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.980 -3.604 2.475 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.396 -2.184 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.005 -2.183 1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.725 -0.643 0.964 1.00 0.00 H new ATOM 343 N THR A 27 -8.990 0.988 4.995 1.00 0.00 N ATOM 344 CA THR A 27 -8.798 1.488 6.350 1.00 0.00 C ATOM 345 C THR A 27 -7.360 1.284 6.813 1.00 0.00 C ATOM 346 O THR A 27 -6.632 0.458 6.262 1.00 0.00 O ATOM 347 CB THR A 27 -9.748 0.795 7.345 1.00 0.00 C ATOM 348 OG1 THR A 27 -9.640 1.408 8.634 1.00 0.00 O ATOM 349 CG2 THR A 27 -9.429 -0.689 7.454 1.00 0.00 C ATOM 0 H THR A 27 -8.177 0.513 4.602 1.00 0.00 H new ATOM 0 HA THR A 27 -9.022 2.554 6.327 1.00 0.00 H new ATOM 0 HB THR A 27 -10.768 0.905 6.976 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.248 0.963 9.260 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.113 -1.157 8.162 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.542 -1.158 6.477 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.404 -0.816 7.801 1.00 0.00 H new ATOM 357 N SER A 28 -6.957 2.041 7.828 1.00 0.00 N ATOM 358 CA SER A 28 -5.604 1.945 8.363 1.00 0.00 C ATOM 359 C SER A 28 -5.629 1.545 9.835 1.00 0.00 C ATOM 360 O SER A 28 -6.135 2.281 10.682 1.00 0.00 O ATOM 361 CB SER A 28 -4.872 3.279 8.198 1.00 0.00 C ATOM 362 OG SER A 28 -5.543 4.318 8.889 1.00 0.00 O ATOM 0 H SER A 28 -7.548 2.728 8.297 1.00 0.00 H new ATOM 0 HA SER A 28 -5.072 1.175 7.804 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.853 3.187 8.574 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.800 3.529 7.140 1.00 0.00 H new ATOM 0 HG SER A 28 -6.155 4.777 8.276 1.00 0.00 H new ATOM 368 N VAL A 29 -5.078 0.372 10.132 1.00 0.00 N ATOM 369 CA VAL A 29 -5.035 -0.128 11.501 1.00 0.00 C ATOM 370 C VAL A 29 -3.641 0.023 12.098 1.00 0.00 C ATOM 371 O VAL A 29 -2.638 -0.164 11.411 1.00 0.00 O ATOM 372 CB VAL A 29 -5.454 -1.608 11.572 1.00 0.00 C ATOM 373 CG1 VAL A 29 -5.146 -2.186 12.945 1.00 0.00 C ATOM 374 CG2 VAL A 29 -6.931 -1.760 11.239 1.00 0.00 C ATOM 0 H VAL A 29 -4.655 -0.250 9.443 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.741 0.470 12.078 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.879 -2.166 10.833 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.449 -3.233 12.976 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.076 -2.112 13.139 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.692 -1.628 13.706 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.210 -2.812 11.294 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.525 -1.189 11.952 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.117 -1.387 10.232 1.00 0.00 H new ATOM 384 N GLU A 30 -3.586 0.363 13.382 1.00 0.00 N ATOM 385 CA GLU A 30 -2.313 0.539 14.071 1.00 0.00 C ATOM 386 C GLU A 30 -1.631 -0.805 14.308 1.00 0.00 C ATOM 387 O GLU A 30 -2.162 -1.670 15.005 1.00 0.00 O ATOM 388 CB GLU A 30 -2.526 1.257 15.406 1.00 0.00 C ATOM 389 CG GLU A 30 -2.539 2.772 15.287 1.00 0.00 C ATOM 390 CD GLU A 30 -3.322 3.438 16.402 1.00 0.00 C ATOM 391 OE1 GLU A 30 -2.776 3.560 17.518 1.00 0.00 O ATOM 392 OE2 GLU A 30 -4.480 3.836 16.158 1.00 0.00 O ATOM 0 H GLU A 30 -4.407 0.522 13.966 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.668 1.147 13.437 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.470 0.927 15.840 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.737 0.962 16.098 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.514 3.142 15.297 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.971 3.054 14.327 1.00 0.00 H new ATOM 399 N THR A 31 -0.451 -0.975 13.720 1.00 0.00 N ATOM 400 CA THR A 31 0.304 -2.213 13.864 1.00 0.00 C ATOM 401 C THR A 31 1.603 -1.980 14.627 1.00 0.00 C ATOM 402 O THR A 31 2.630 -2.583 14.318 1.00 0.00 O ATOM 403 CB THR A 31 0.630 -2.835 12.493 1.00 0.00 C ATOM 404 OG1 THR A 31 1.453 -1.942 11.734 1.00 0.00 O ATOM 405 CG2 THR A 31 -0.644 -3.140 11.720 1.00 0.00 C ATOM 0 H THR A 31 0.003 -0.270 13.139 1.00 0.00 H new ATOM 0 HA THR A 31 -0.325 -2.903 14.427 1.00 0.00 H new ATOM 0 HB THR A 31 1.166 -3.769 12.660 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.657 -2.345 10.864 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.388 -3.578 10.755 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.255 -3.842 12.287 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.204 -2.218 11.562 1.00 0.00 H new ATOM 413 N GLU A 32 1.550 -1.103 15.624 1.00 0.00 N ATOM 414 CA GLU A 32 2.724 -0.791 16.430 1.00 0.00 C ATOM 415 C GLU A 32 3.559 -2.043 16.682 1.00 0.00 C ATOM 416 O GLU A 32 4.776 -2.039 16.496 1.00 0.00 O ATOM 417 CB GLU A 32 2.305 -0.167 17.762 1.00 0.00 C ATOM 418 CG GLU A 32 0.971 -0.679 18.281 1.00 0.00 C ATOM 419 CD GLU A 32 0.674 -0.208 19.692 1.00 0.00 C ATOM 420 OE1 GLU A 32 0.131 0.907 19.842 1.00 0.00 O ATOM 421 OE2 GLU A 32 0.985 -0.953 20.644 1.00 0.00 O ATOM 0 H GLU A 32 0.707 -0.596 15.893 1.00 0.00 H new ATOM 0 HA GLU A 32 3.332 -0.075 15.878 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.076 -0.367 18.506 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.249 0.915 17.645 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.175 -0.346 17.616 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.971 -1.769 18.258 1.00 0.00 H new ATOM 428 N SER A 33 2.895 -3.113 17.108 1.00 0.00 N ATOM 429 CA SER A 33 3.576 -4.372 17.391 1.00 0.00 C ATOM 430 C SER A 33 3.553 -5.288 16.171 1.00 0.00 C ATOM 431 O SER A 33 4.497 -6.041 15.927 1.00 0.00 O ATOM 432 CB SER A 33 2.920 -5.074 18.582 1.00 0.00 C ATOM 433 OG SER A 33 3.849 -5.903 19.259 1.00 0.00 O ATOM 0 H SER A 33 1.887 -3.134 17.265 1.00 0.00 H new ATOM 0 HA SER A 33 4.614 -4.148 17.636 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.521 -4.330 19.272 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.077 -5.673 18.236 1.00 0.00 H new ATOM 0 HG SER A 33 3.406 -6.339 20.017 1.00 0.00 H new ATOM 439 N LEU A 34 2.468 -5.218 15.407 1.00 0.00 N ATOM 440 CA LEU A 34 2.321 -6.040 14.211 1.00 0.00 C ATOM 441 C LEU A 34 3.247 -5.557 13.100 1.00 0.00 C ATOM 442 O LEU A 34 3.416 -4.354 12.896 1.00 0.00 O ATOM 443 CB LEU A 34 0.870 -6.016 13.727 1.00 0.00 C ATOM 444 CG LEU A 34 -0.045 -7.104 14.291 1.00 0.00 C ATOM 445 CD1 LEU A 34 0.133 -8.403 13.520 1.00 0.00 C ATOM 446 CD2 LEU A 34 0.232 -7.318 15.772 1.00 0.00 C ATOM 0 H LEU A 34 1.678 -4.601 15.594 1.00 0.00 H new ATOM 0 HA LEU A 34 2.596 -7.063 14.468 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.442 -5.045 13.975 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.869 -6.097 12.640 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.079 -6.778 14.179 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.526 -9.166 13.935 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.116 -8.241 12.471 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.168 -8.735 13.600 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.428 -8.095 16.157 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.270 -7.623 15.908 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.053 -6.389 16.314 1.00 0.00 H new ATOM 458 N THR A 35 3.845 -6.503 12.382 1.00 0.00 N ATOM 459 CA THR A 35 4.754 -6.174 11.290 1.00 0.00 C ATOM 460 C THR A 35 4.802 -7.295 10.259 1.00 0.00 C ATOM 461 O THR A 35 4.348 -8.409 10.516 1.00 0.00 O ATOM 462 CB THR A 35 6.179 -5.907 11.808 1.00 0.00 C ATOM 463 OG1 THR A 35 7.058 -5.641 10.709 1.00 0.00 O ATOM 464 CG2 THR A 35 6.699 -7.095 12.602 1.00 0.00 C ATOM 0 H THR A 35 3.716 -7.503 12.537 1.00 0.00 H new ATOM 0 HA THR A 35 4.370 -5.268 10.820 1.00 0.00 H new ATOM 0 HB THR A 35 6.145 -5.038 12.465 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.962 -5.471 11.047 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.707 -6.882 12.957 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.045 -7.277 13.455 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.718 -7.979 11.964 1.00 0.00 H new ATOM 472 N GLY A 36 5.356 -6.993 9.088 1.00 0.00 N ATOM 473 CA GLY A 36 5.454 -7.986 8.035 1.00 0.00 C ATOM 474 C GLY A 36 4.113 -8.285 7.394 1.00 0.00 C ATOM 475 O GLY A 36 3.218 -7.442 7.356 1.00 0.00 O ATOM 0 H GLY A 36 5.739 -6.078 8.850 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.148 -7.634 7.272 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.871 -8.906 8.445 1.00 0.00 H new ATOM 479 N PRO A 37 3.963 -9.512 6.873 1.00 0.00 N ATOM 480 CA PRO A 37 2.725 -9.948 6.219 1.00 0.00 C ATOM 481 C PRO A 37 1.577 -10.120 7.208 1.00 0.00 C ATOM 482 O PRO A 37 0.408 -10.096 6.824 1.00 0.00 O ATOM 483 CB PRO A 37 3.106 -11.296 5.602 1.00 0.00 C ATOM 484 CG PRO A 37 4.234 -11.791 6.439 1.00 0.00 C ATOM 485 CD PRO A 37 4.989 -10.568 6.882 1.00 0.00 C ATOM 0 HA PRO A 37 2.368 -9.217 5.493 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.266 -11.991 5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.406 -11.184 4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.866 -12.354 7.297 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.877 -12.462 5.870 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.421 -10.700 7.874 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.811 -10.336 6.205 1.00 0.00 H new ATOM 493 N GLN A 38 1.919 -10.293 8.480 1.00 0.00 N ATOM 494 CA GLN A 38 0.915 -10.469 9.523 1.00 0.00 C ATOM 495 C GLN A 38 0.087 -9.201 9.702 1.00 0.00 C ATOM 496 O GLN A 38 -1.140 -9.255 9.778 1.00 0.00 O ATOM 497 CB GLN A 38 1.585 -10.846 10.846 1.00 0.00 C ATOM 498 CG GLN A 38 0.668 -11.594 11.801 1.00 0.00 C ATOM 499 CD GLN A 38 1.409 -12.172 12.990 1.00 0.00 C ATOM 500 OE1 GLN A 38 2.595 -11.905 13.186 1.00 0.00 O ATOM 501 NE2 GLN A 38 0.713 -12.970 13.791 1.00 0.00 N ATOM 0 H GLN A 38 2.883 -10.315 8.814 1.00 0.00 H new ATOM 0 HA GLN A 38 0.248 -11.276 9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.460 -11.462 10.638 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.942 -9.939 11.334 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.110 -10.918 12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.168 -12.399 11.263 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.268 -13.164 13.591 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.159 -13.389 14.607 1.00 0.00 H new ATOM 510 N ALA A 39 0.767 -8.061 9.769 1.00 0.00 N ATOM 511 CA ALA A 39 0.094 -6.779 9.938 1.00 0.00 C ATOM 512 C ALA A 39 -0.985 -6.583 8.878 1.00 0.00 C ATOM 513 O ALA A 39 -2.079 -6.103 9.174 1.00 0.00 O ATOM 514 CB ALA A 39 1.104 -5.642 9.883 1.00 0.00 C ATOM 0 H ALA A 39 1.783 -7.999 9.709 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.388 -6.775 10.915 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.588 -4.690 10.011 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.837 -5.767 10.680 1.00 0.00 H new ATOM 0 HB3 ALA A 39 1.612 -5.653 8.919 1.00 0.00 H new ATOM 520 N VAL A 40 -0.669 -6.956 7.642 1.00 0.00 N ATOM 521 CA VAL A 40 -1.613 -6.821 6.539 1.00 0.00 C ATOM 522 C VAL A 40 -2.860 -7.665 6.775 1.00 0.00 C ATOM 523 O VAL A 40 -3.983 -7.184 6.634 1.00 0.00 O ATOM 524 CB VAL A 40 -0.973 -7.233 5.200 1.00 0.00 C ATOM 525 CG1 VAL A 40 -1.874 -6.849 4.036 1.00 0.00 C ATOM 526 CG2 VAL A 40 0.403 -6.601 5.050 1.00 0.00 C ATOM 0 H VAL A 40 0.233 -7.354 7.379 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.895 -5.769 6.491 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.853 -8.316 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.405 -7.148 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.835 -7.353 4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.029 -5.770 4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.840 -6.903 4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.310 -5.515 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.046 -6.931 5.866 1.00 0.00 H new ATOM 536 N ALA A 41 -2.653 -8.928 7.135 1.00 0.00 N ATOM 537 CA ALA A 41 -3.760 -9.840 7.394 1.00 0.00 C ATOM 538 C ALA A 41 -4.716 -9.262 8.432 1.00 0.00 C ATOM 539 O ALA A 41 -5.933 -9.284 8.249 1.00 0.00 O ATOM 540 CB ALA A 41 -3.234 -11.192 7.852 1.00 0.00 C ATOM 0 H ALA A 41 -1.729 -9.342 7.254 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.313 -9.974 6.464 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.072 -11.863 8.042 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.598 -11.617 7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.655 -11.066 8.767 1.00 0.00 H new ATOM 546 N ARG A 42 -4.157 -8.748 9.522 1.00 0.00 N ATOM 547 CA ARG A 42 -4.960 -8.166 10.591 1.00 0.00 C ATOM 548 C ARG A 42 -5.870 -7.067 10.050 1.00 0.00 C ATOM 549 O ARG A 42 -7.094 -7.184 10.091 1.00 0.00 O ATOM 550 CB ARG A 42 -4.056 -7.601 11.688 1.00 0.00 C ATOM 551 CG ARG A 42 -4.762 -6.626 12.617 1.00 0.00 C ATOM 552 CD ARG A 42 -3.870 -6.219 13.779 1.00 0.00 C ATOM 553 NE ARG A 42 -4.642 -5.716 14.912 1.00 0.00 N ATOM 554 CZ ARG A 42 -5.430 -6.479 15.661 1.00 0.00 C ATOM 555 NH1 ARG A 42 -5.547 -7.773 15.401 1.00 0.00 N ATOM 556 NH2 ARG A 42 -6.101 -5.947 16.675 1.00 0.00 N ATOM 0 H ARG A 42 -3.151 -8.723 9.689 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.583 -8.954 11.014 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.655 -8.426 12.277 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.207 -7.098 11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.060 -5.739 12.057 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.675 -7.083 13.000 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.276 -7.076 14.097 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.171 -5.451 13.448 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.572 -4.724 15.141 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.031 -8.186 14.624 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -6.153 -8.356 15.978 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.012 -4.952 16.879 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.706 -6.533 17.250 1.00 0.00 H new ATOM 570 N ALA A 43 -5.262 -5.998 9.545 1.00 0.00 N ATOM 571 CA ALA A 43 -6.017 -4.879 8.995 1.00 0.00 C ATOM 572 C ALA A 43 -7.218 -5.368 8.192 1.00 0.00 C ATOM 573 O ALA A 43 -8.290 -4.764 8.231 1.00 0.00 O ATOM 574 CB ALA A 43 -5.117 -4.011 8.127 1.00 0.00 C ATOM 0 H ALA A 43 -4.249 -5.884 9.506 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.389 -4.280 9.826 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.694 -3.179 7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.295 -3.624 8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.717 -4.608 7.307 1.00 0.00 H new ATOM 580 N SER A 44 -7.030 -6.464 7.465 1.00 0.00 N ATOM 581 CA SER A 44 -8.098 -7.032 6.649 1.00 0.00 C ATOM 582 C SER A 44 -9.174 -7.664 7.525 1.00 0.00 C ATOM 583 O SER A 44 -10.368 -7.507 7.272 1.00 0.00 O ATOM 584 CB SER A 44 -7.531 -8.075 5.684 1.00 0.00 C ATOM 585 OG SER A 44 -6.416 -7.563 4.975 1.00 0.00 O ATOM 0 H SER A 44 -6.149 -6.977 7.424 1.00 0.00 H new ATOM 0 HA SER A 44 -8.551 -6.224 6.074 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.235 -8.965 6.239 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.304 -8.381 4.979 1.00 0.00 H new ATOM 0 HG SER A 44 -5.647 -7.494 5.579 1.00 0.00 H new ATOM 591 N SER A 45 -8.742 -8.380 8.558 1.00 0.00 N ATOM 592 CA SER A 45 -9.667 -9.041 9.472 1.00 0.00 C ATOM 593 C SER A 45 -10.500 -8.016 10.236 1.00 0.00 C ATOM 594 O SER A 45 -11.698 -8.205 10.444 1.00 0.00 O ATOM 595 CB SER A 45 -8.901 -9.928 10.455 1.00 0.00 C ATOM 596 OG SER A 45 -9.733 -10.341 11.524 1.00 0.00 O ATOM 0 H SER A 45 -7.757 -8.517 8.783 1.00 0.00 H new ATOM 0 HA SER A 45 -10.340 -9.663 8.882 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.512 -10.803 9.934 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.042 -9.384 10.848 1.00 0.00 H new ATOM 0 HG SER A 45 -9.220 -10.908 12.137 1.00 0.00 H new ATOM 602 N ALA A 46 -9.855 -6.931 10.652 1.00 0.00 N ATOM 603 CA ALA A 46 -10.535 -5.875 11.392 1.00 0.00 C ATOM 604 C ALA A 46 -11.531 -5.137 10.504 1.00 0.00 C ATOM 605 O ALA A 46 -12.582 -4.695 10.968 1.00 0.00 O ATOM 606 CB ALA A 46 -9.521 -4.902 11.974 1.00 0.00 C ATOM 0 H ALA A 46 -8.863 -6.760 10.489 1.00 0.00 H new ATOM 0 HA ALA A 46 -11.089 -6.336 12.209 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.043 -4.119 12.524 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.851 -5.435 12.649 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.942 -4.454 11.167 1.00 0.00 H new ATOM 612 N ALA A 47 -11.193 -5.005 9.226 1.00 0.00 N ATOM 613 CA ALA A 47 -12.058 -4.321 8.273 1.00 0.00 C ATOM 614 C ALA A 47 -13.377 -5.065 8.097 1.00 0.00 C ATOM 615 O ALA A 47 -14.447 -4.455 8.068 1.00 0.00 O ATOM 616 CB ALA A 47 -11.353 -4.169 6.933 1.00 0.00 C ATOM 0 H ALA A 47 -10.326 -5.363 8.826 1.00 0.00 H new ATOM 0 HA ALA A 47 -12.280 -3.330 8.669 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -12.011 -3.656 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.441 -3.587 7.066 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.101 -5.154 6.541 1.00 0.00 H new ATOM 622 N LEU A 48 -13.295 -6.386 7.979 1.00 0.00 N ATOM 623 CA LEU A 48 -14.483 -7.214 7.805 1.00 0.00 C ATOM 624 C LEU A 48 -15.231 -7.377 9.125 1.00 0.00 C ATOM 625 O LEU A 48 -16.462 -7.373 9.157 1.00 0.00 O ATOM 626 CB LEU A 48 -14.095 -8.587 7.253 1.00 0.00 C ATOM 627 CG LEU A 48 -13.262 -8.584 5.971 1.00 0.00 C ATOM 628 CD1 LEU A 48 -12.593 -9.934 5.766 1.00 0.00 C ATOM 629 CD2 LEU A 48 -14.130 -8.229 4.772 1.00 0.00 C ATOM 0 H LEU A 48 -12.418 -6.906 8.001 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.142 -6.716 7.094 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -13.539 -9.122 8.023 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.008 -9.153 7.068 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.484 -7.827 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.005 -9.913 4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.939 -10.148 6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.355 -10.710 5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.521 -8.232 3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.930 -8.962 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.562 -7.238 4.916 1.00 0.00 H new ATOM 641 N SER A 49 -14.480 -7.518 10.212 1.00 0.00 N ATOM 642 CA SER A 49 -15.072 -7.683 11.534 1.00 0.00 C ATOM 643 C SER A 49 -15.846 -6.434 11.943 1.00 0.00 C ATOM 644 O SER A 49 -17.002 -6.515 12.360 1.00 0.00 O ATOM 645 CB SER A 49 -13.985 -7.985 12.568 1.00 0.00 C ATOM 646 OG SER A 49 -14.520 -8.680 13.682 1.00 0.00 O ATOM 0 H SER A 49 -13.460 -7.521 10.203 1.00 0.00 H new ATOM 0 HA SER A 49 -15.767 -8.522 11.492 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.197 -8.581 12.108 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.527 -7.054 12.902 1.00 0.00 H new ATOM 0 HG SER A 49 -13.806 -8.863 14.327 1.00 0.00 H new ATOM 652 N CYS A 50 -15.200 -5.280 11.821 1.00 0.00 N ATOM 653 CA CYS A 50 -15.827 -4.012 12.178 1.00 0.00 C ATOM 654 C CYS A 50 -17.256 -3.944 11.651 1.00 0.00 C ATOM 655 O CYS A 50 -17.534 -4.359 10.525 1.00 0.00 O ATOM 656 CB CYS A 50 -15.010 -2.842 11.626 1.00 0.00 C ATOM 657 SG CYS A 50 -15.779 -1.224 11.873 1.00 0.00 S ATOM 0 H CYS A 50 -14.243 -5.196 11.478 1.00 0.00 H new ATOM 0 HA CYS A 50 -15.857 -3.944 13.265 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -14.029 -2.842 12.100 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -14.849 -2.997 10.559 1.00 0.00 H new ATOM 0 HG CYS A 50 -16.847 -1.134 11.137 1.00 0.00 H new ATOM 663 N SER A 51 -18.160 -3.419 12.472 1.00 0.00 N ATOM 664 CA SER A 51 -19.563 -3.302 12.090 1.00 0.00 C ATOM 665 C SER A 51 -20.209 -2.095 12.762 1.00 0.00 C ATOM 666 O SER A 51 -20.140 -1.918 13.979 1.00 0.00 O ATOM 667 CB SER A 51 -20.323 -4.576 12.464 1.00 0.00 C ATOM 668 OG SER A 51 -19.999 -5.639 11.585 1.00 0.00 O ATOM 0 H SER A 51 -17.946 -3.068 13.406 1.00 0.00 H new ATOM 0 HA SER A 51 -19.610 -3.163 11.010 1.00 0.00 H new ATOM 0 HB2 SER A 51 -20.081 -4.860 13.488 1.00 0.00 H new ATOM 0 HB3 SER A 51 -21.396 -4.386 12.431 1.00 0.00 H new ATOM 0 HG SER A 51 -19.262 -5.366 11.000 1.00 0.00 H new ATOM 674 N PRO A 52 -20.855 -1.243 11.952 1.00 0.00 N ATOM 675 CA PRO A 52 -20.944 -1.442 10.502 1.00 0.00 C ATOM 676 C PRO A 52 -19.602 -1.242 9.806 1.00 0.00 C ATOM 677 O PRO A 52 -18.839 -0.341 10.155 1.00 0.00 O ATOM 678 CB PRO A 52 -21.942 -0.371 10.057 1.00 0.00 C ATOM 679 CG PRO A 52 -21.846 0.692 11.097 1.00 0.00 C ATOM 680 CD PRO A 52 -21.547 -0.018 12.388 1.00 0.00 C ATOM 0 HA PRO A 52 -21.247 -2.458 10.248 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -21.692 0.017 9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -22.953 -0.774 9.994 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.060 1.406 10.853 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -22.777 1.254 11.167 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.919 0.586 13.043 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.458 -0.246 12.941 1.00 0.00 H new ATOM 688 N ARG A 53 -19.320 -2.087 8.820 1.00 0.00 N ATOM 689 CA ARG A 53 -18.070 -2.003 8.076 1.00 0.00 C ATOM 690 C ARG A 53 -17.710 -0.550 7.779 1.00 0.00 C ATOM 691 O ARG A 53 -18.577 0.302 7.583 1.00 0.00 O ATOM 692 CB ARG A 53 -18.176 -2.790 6.768 1.00 0.00 C ATOM 693 CG ARG A 53 -19.070 -2.130 5.731 1.00 0.00 C ATOM 694 CD ARG A 53 -19.056 -2.895 4.416 1.00 0.00 C ATOM 695 NE ARG A 53 -20.093 -3.922 4.370 1.00 0.00 N ATOM 696 CZ ARG A 53 -21.384 -3.657 4.209 1.00 0.00 C ATOM 697 NH1 ARG A 53 -21.795 -2.403 4.078 1.00 0.00 N ATOM 698 NH2 ARG A 53 -22.267 -4.646 4.177 1.00 0.00 N ATOM 0 H ARG A 53 -19.941 -2.838 8.518 1.00 0.00 H new ATOM 0 HA ARG A 53 -17.281 -2.437 8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -17.178 -2.916 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -18.559 -3.787 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -20.090 -2.075 6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -18.738 -1.106 5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -19.199 -2.198 3.590 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.080 -3.359 4.277 1.00 0.00 H new ATOM 0 HE ARG A 53 -19.810 -4.897 4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -21.119 -1.640 4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -22.787 -2.202 3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -21.955 -5.612 4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -23.258 -4.441 4.053 1.00 0.00 H new ATOM 712 N PRO A 54 -16.401 -0.259 7.747 1.00 0.00 N ATOM 713 CA PRO A 54 -15.897 1.091 7.476 1.00 0.00 C ATOM 714 C PRO A 54 -16.127 1.516 6.029 1.00 0.00 C ATOM 715 O PRO A 54 -16.121 0.687 5.119 1.00 0.00 O ATOM 716 CB PRO A 54 -14.399 0.975 7.767 1.00 0.00 C ATOM 717 CG PRO A 54 -14.083 -0.465 7.557 1.00 0.00 C ATOM 718 CD PRO A 54 -15.313 -1.224 7.972 1.00 0.00 C ATOM 0 HA PRO A 54 -16.405 1.844 8.078 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.816 1.610 7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.168 1.286 8.786 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.836 -0.662 6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.220 -0.766 8.151 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.448 -2.127 7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -15.261 -1.535 9.016 1.00 0.00 H new ATOM 726 N THR A 55 -16.330 2.814 5.824 1.00 0.00 N ATOM 727 CA THR A 55 -16.563 3.348 4.488 1.00 0.00 C ATOM 728 C THR A 55 -15.254 3.760 3.825 1.00 0.00 C ATOM 729 O THR A 55 -14.574 4.689 4.261 1.00 0.00 O ATOM 730 CB THR A 55 -17.510 4.563 4.527 1.00 0.00 C ATOM 731 OG1 THR A 55 -18.714 4.223 5.224 1.00 0.00 O ATOM 732 CG2 THR A 55 -17.848 5.030 3.119 1.00 0.00 C ATOM 0 H THR A 55 -16.338 3.514 6.566 1.00 0.00 H new ATOM 0 HA THR A 55 -17.027 2.552 3.905 1.00 0.00 H new ATOM 0 HB THR A 55 -17.004 5.374 5.051 1.00 0.00 H new ATOM 0 HG1 THR A 55 -19.310 5.001 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 55 -18.518 5.888 3.171 1.00 0.00 H new ATOM 0 HG22 THR A 55 -16.932 5.315 2.601 1.00 0.00 H new ATOM 0 HG23 THR A 55 -18.336 4.222 2.575 1.00 0.00 H new ATOM 740 N PRO A 56 -14.890 3.055 2.744 1.00 0.00 N ATOM 741 CA PRO A 56 -13.660 3.330 1.996 1.00 0.00 C ATOM 742 C PRO A 56 -13.727 4.649 1.233 1.00 0.00 C ATOM 743 O PRO A 56 -14.765 5.309 1.209 1.00 0.00 O ATOM 744 CB PRO A 56 -13.566 2.153 1.022 1.00 0.00 C ATOM 745 CG PRO A 56 -14.971 1.691 0.849 1.00 0.00 C ATOM 746 CD PRO A 56 -15.652 1.934 2.167 1.00 0.00 C ATOM 0 HA PRO A 56 -12.796 3.426 2.654 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.130 2.460 0.071 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.934 1.359 1.420 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.466 2.239 0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.004 0.635 0.581 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.704 2.189 2.035 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.616 1.052 2.807 1.00 0.00 H new ATOM 754 N ALA A 57 -12.615 5.026 0.612 1.00 0.00 N ATOM 755 CA ALA A 57 -12.549 6.265 -0.153 1.00 0.00 C ATOM 756 C ALA A 57 -11.553 6.148 -1.302 1.00 0.00 C ATOM 757 O ALA A 57 -10.611 5.358 -1.242 1.00 0.00 O ATOM 758 CB ALA A 57 -12.177 7.427 0.755 1.00 0.00 C ATOM 0 H ALA A 57 -11.747 4.491 0.624 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.535 6.453 -0.579 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.131 8.346 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.928 7.532 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.204 7.237 1.209 1.00 0.00 H new ATOM 764 N VAL A 58 -11.768 6.940 -2.348 1.00 0.00 N ATOM 765 CA VAL A 58 -10.889 6.926 -3.511 1.00 0.00 C ATOM 766 C VAL A 58 -9.752 7.929 -3.352 1.00 0.00 C ATOM 767 O VAL A 58 -9.974 9.082 -2.982 1.00 0.00 O ATOM 768 CB VAL A 58 -11.663 7.244 -4.804 1.00 0.00 C ATOM 769 CG1 VAL A 58 -12.368 6.001 -5.323 1.00 0.00 C ATOM 770 CG2 VAL A 58 -12.657 8.371 -4.565 1.00 0.00 C ATOM 0 H VAL A 58 -12.543 7.599 -2.414 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.475 5.920 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.952 7.572 -5.562 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.910 6.245 -6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.631 5.226 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -13.069 5.640 -4.571 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.195 8.583 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -13.366 8.073 -3.792 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -12.123 9.265 -4.243 1.00 0.00 H new ATOM 780 N VAL A 59 -8.532 7.483 -3.634 1.00 0.00 N ATOM 781 CA VAL A 59 -7.359 8.342 -3.525 1.00 0.00 C ATOM 782 C VAL A 59 -6.347 8.033 -4.623 1.00 0.00 C ATOM 783 O VAL A 59 -6.497 7.062 -5.365 1.00 0.00 O ATOM 784 CB VAL A 59 -6.675 8.186 -2.154 1.00 0.00 C ATOM 785 CG1 VAL A 59 -7.658 8.479 -1.030 1.00 0.00 C ATOM 786 CG2 VAL A 59 -6.087 6.791 -2.008 1.00 0.00 C ATOM 0 H VAL A 59 -8.330 6.531 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.708 9.369 -3.635 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.861 8.908 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.157 8.364 -0.069 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.027 9.500 -1.126 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.495 7.783 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.608 6.698 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.882 6.050 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.349 6.623 -2.793 1.00 0.00 H new ATOM 796 N HIS A 60 -5.316 8.866 -4.721 1.00 0.00 N ATOM 797 CA HIS A 60 -4.278 8.682 -5.729 1.00 0.00 C ATOM 798 C HIS A 60 -3.122 7.855 -5.173 1.00 0.00 C ATOM 799 O HIS A 60 -2.732 8.014 -4.016 1.00 0.00 O ATOM 800 CB HIS A 60 -3.763 10.037 -6.215 1.00 0.00 C ATOM 801 CG HIS A 60 -2.899 9.947 -7.435 1.00 0.00 C ATOM 802 ND1 HIS A 60 -1.544 10.207 -7.418 1.00 0.00 N ATOM 803 CD2 HIS A 60 -3.202 9.622 -8.713 1.00 0.00 C ATOM 804 CE1 HIS A 60 -1.053 10.047 -8.634 1.00 0.00 C ATOM 805 NE2 HIS A 60 -2.038 9.691 -9.438 1.00 0.00 N ATOM 0 H HIS A 60 -5.177 9.675 -4.115 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.715 8.145 -6.571 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.614 10.684 -6.429 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.197 10.510 -5.413 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.178 9.357 -9.092 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.021 10.184 -8.922 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.949 9.499 -10.436 1.00 0.00 H new ATOM 814 N PHE A 61 -2.580 6.972 -6.004 1.00 0.00 N ATOM 815 CA PHE A 61 -1.470 6.119 -5.595 1.00 0.00 C ATOM 816 C PHE A 61 -0.294 6.257 -6.558 1.00 0.00 C ATOM 817 O PHE A 61 -0.426 6.009 -7.757 1.00 0.00 O ATOM 818 CB PHE A 61 -1.920 4.658 -5.528 1.00 0.00 C ATOM 819 CG PHE A 61 -1.134 3.833 -4.549 1.00 0.00 C ATOM 820 CD1 PHE A 61 -1.458 3.836 -3.202 1.00 0.00 C ATOM 821 CD2 PHE A 61 -0.070 3.054 -4.976 1.00 0.00 C ATOM 822 CE1 PHE A 61 -0.737 3.078 -2.299 1.00 0.00 C ATOM 823 CE2 PHE A 61 0.654 2.294 -4.078 1.00 0.00 C ATOM 824 CZ PHE A 61 0.321 2.306 -2.738 1.00 0.00 C ATOM 0 H PHE A 61 -2.891 6.828 -6.965 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.145 6.438 -4.605 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.975 4.623 -5.256 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.832 4.213 -6.519 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.284 4.438 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.196 3.041 -6.023 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.000 3.089 -1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.480 1.691 -4.424 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.887 1.713 -2.035 1.00 0.00 H new ATOM 834 N LYS A 62 0.856 6.654 -6.025 1.00 0.00 N ATOM 835 CA LYS A 62 2.057 6.825 -6.834 1.00 0.00 C ATOM 836 C LYS A 62 3.244 6.103 -6.205 1.00 0.00 C ATOM 837 O LYS A 62 3.414 6.113 -4.986 1.00 0.00 O ATOM 838 CB LYS A 62 2.378 8.312 -6.998 1.00 0.00 C ATOM 839 CG LYS A 62 3.576 8.580 -7.894 1.00 0.00 C ATOM 840 CD LYS A 62 3.907 10.062 -7.953 1.00 0.00 C ATOM 841 CE LYS A 62 4.758 10.490 -6.767 1.00 0.00 C ATOM 842 NZ LYS A 62 6.199 10.177 -6.977 1.00 0.00 N ATOM 0 H LYS A 62 0.982 6.864 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 62 1.869 6.390 -7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.506 8.820 -7.410 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.565 8.745 -6.016 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.440 8.028 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.370 8.212 -8.899 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.437 10.281 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.984 10.642 -7.968 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.639 11.561 -6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.405 9.988 -5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.783 10.863 -6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.400 9.218 -6.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.422 10.232 -7.991 1.00 0.00 H new ATOM 856 N VAL A 63 4.064 5.479 -7.045 1.00 0.00 N ATOM 857 CA VAL A 63 5.238 4.755 -6.571 1.00 0.00 C ATOM 858 C VAL A 63 6.493 5.197 -7.315 1.00 0.00 C ATOM 859 O VAL A 63 6.644 4.938 -8.509 1.00 0.00 O ATOM 860 CB VAL A 63 5.064 3.234 -6.739 1.00 0.00 C ATOM 861 CG1 VAL A 63 6.346 2.505 -6.366 1.00 0.00 C ATOM 862 CG2 VAL A 63 3.896 2.736 -5.900 1.00 0.00 C ATOM 0 H VAL A 63 3.937 5.460 -8.057 1.00 0.00 H new ATOM 0 HA VAL A 63 5.347 4.986 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 63 4.846 3.025 -7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.204 1.432 -6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.157 2.841 -7.012 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.597 2.719 -5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.787 1.659 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.083 2.957 -4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.981 3.234 -6.219 1.00 0.00 H new ATOM 872 N SER A 64 7.393 5.865 -6.600 1.00 0.00 N ATOM 873 CA SER A 64 8.636 6.346 -7.193 1.00 0.00 C ATOM 874 C SER A 64 9.808 6.141 -6.238 1.00 0.00 C ATOM 875 O SER A 64 9.655 5.557 -5.166 1.00 0.00 O ATOM 876 CB SER A 64 8.512 7.827 -7.557 1.00 0.00 C ATOM 877 OG SER A 64 9.561 8.229 -8.420 1.00 0.00 O ATOM 0 H SER A 64 7.285 6.085 -5.610 1.00 0.00 H new ATOM 0 HA SER A 64 8.824 5.771 -8.100 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.551 8.007 -8.039 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.532 8.431 -6.650 1.00 0.00 H new ATOM 0 HG SER A 64 9.458 9.179 -8.639 1.00 0.00 H new ATOM 883 N ALA A 65 10.979 6.627 -6.637 1.00 0.00 N ATOM 884 CA ALA A 65 12.178 6.500 -5.817 1.00 0.00 C ATOM 885 C ALA A 65 11.987 7.167 -4.459 1.00 0.00 C ATOM 886 O ALA A 65 12.666 6.828 -3.490 1.00 0.00 O ATOM 887 CB ALA A 65 13.376 7.099 -6.538 1.00 0.00 C ATOM 0 H ALA A 65 11.123 7.112 -7.523 1.00 0.00 H new ATOM 0 HA ALA A 65 12.363 5.439 -5.648 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.264 6.997 -5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.533 6.575 -7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.191 8.155 -6.736 1.00 0.00 H new ATOM 893 N GLN A 66 11.060 8.118 -4.396 1.00 0.00 N ATOM 894 CA GLN A 66 10.782 8.833 -3.157 1.00 0.00 C ATOM 895 C GLN A 66 9.957 7.973 -2.205 1.00 0.00 C ATOM 896 O GLN A 66 9.792 8.309 -1.033 1.00 0.00 O ATOM 897 CB GLN A 66 10.044 10.140 -3.452 1.00 0.00 C ATOM 898 CG GLN A 66 10.073 11.129 -2.298 1.00 0.00 C ATOM 899 CD GLN A 66 9.785 12.550 -2.740 1.00 0.00 C ATOM 900 OE1 GLN A 66 10.671 13.253 -3.227 1.00 0.00 O ATOM 901 NE2 GLN A 66 8.540 12.981 -2.573 1.00 0.00 N ATOM 0 H GLN A 66 10.489 8.411 -5.189 1.00 0.00 H new ATOM 0 HA GLN A 66 11.734 9.062 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.487 10.607 -4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.007 9.914 -3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.339 10.830 -1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.051 11.093 -1.818 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.837 12.364 -2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.287 13.929 -2.853 1.00 0.00 H new ATOM 910 N GLY A 67 9.441 6.860 -2.718 1.00 0.00 N ATOM 911 CA GLY A 67 8.639 5.968 -1.899 1.00 0.00 C ATOM 912 C GLY A 67 7.208 5.865 -2.387 1.00 0.00 C ATOM 913 O GLY A 67 6.960 5.459 -3.523 1.00 0.00 O ATOM 0 H GLY A 67 9.564 6.560 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.091 4.976 -1.897 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.644 6.323 -0.868 1.00 0.00 H new ATOM 917 N ILE A 68 6.263 6.230 -1.527 1.00 0.00 N ATOM 918 CA ILE A 68 4.849 6.175 -1.877 1.00 0.00 C ATOM 919 C ILE A 68 4.130 7.453 -1.459 1.00 0.00 C ATOM 920 O ILE A 68 4.280 7.923 -0.330 1.00 0.00 O ATOM 921 CB ILE A 68 4.153 4.969 -1.220 1.00 0.00 C ATOM 922 CG1 ILE A 68 4.709 3.661 -1.786 1.00 0.00 C ATOM 923 CG2 ILE A 68 2.648 5.047 -1.430 1.00 0.00 C ATOM 924 CD1 ILE A 68 4.216 2.430 -1.059 1.00 0.00 C ATOM 0 H ILE A 68 6.451 6.567 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 68 4.796 6.068 -2.960 1.00 0.00 H new ATOM 0 HB ILE A 68 4.352 4.992 -0.149 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.436 3.585 -2.839 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.798 3.688 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.170 4.188 -0.960 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.265 5.965 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 68 2.429 5.045 -2.498 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.651 1.540 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.512 2.483 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.129 2.378 -1.127 1.00 0.00 H new ATOM 936 N THR A 69 3.346 8.012 -2.376 1.00 0.00 N ATOM 937 CA THR A 69 2.602 9.235 -2.103 1.00 0.00 C ATOM 938 C THR A 69 1.100 9.002 -2.218 1.00 0.00 C ATOM 939 O THR A 69 0.638 8.290 -3.111 1.00 0.00 O ATOM 940 CB THR A 69 3.009 10.367 -3.065 1.00 0.00 C ATOM 941 OG1 THR A 69 4.436 10.475 -3.117 1.00 0.00 O ATOM 942 CG2 THR A 69 2.410 11.694 -2.624 1.00 0.00 C ATOM 0 H THR A 69 3.210 7.637 -3.315 1.00 0.00 H new ATOM 0 HA THR A 69 2.844 9.531 -1.082 1.00 0.00 H new ATOM 0 HB THR A 69 2.627 10.127 -4.057 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.800 10.445 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.711 12.478 -3.319 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.323 11.617 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.766 11.939 -1.623 1.00 0.00 H new ATOM 950 N LEU A 70 0.341 9.606 -1.310 1.00 0.00 N ATOM 951 CA LEU A 70 -1.111 9.465 -1.311 1.00 0.00 C ATOM 952 C LEU A 70 -1.791 10.827 -1.211 1.00 0.00 C ATOM 953 O LEU A 70 -1.325 11.715 -0.497 1.00 0.00 O ATOM 954 CB LEU A 70 -1.557 8.574 -0.150 1.00 0.00 C ATOM 955 CG LEU A 70 -0.902 7.194 -0.073 1.00 0.00 C ATOM 956 CD1 LEU A 70 -1.312 6.479 1.205 1.00 0.00 C ATOM 957 CD2 LEU A 70 -1.269 6.361 -1.293 1.00 0.00 C ATOM 0 H LEU A 70 0.707 10.198 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.405 9.001 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.358 9.101 0.783 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.637 8.439 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 70 0.180 7.327 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.836 5.499 1.242 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.999 7.067 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.395 6.357 1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.794 5.382 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.351 6.237 -1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.925 6.866 -2.195 1.00 0.00 H new ATOM 969 N THR A 71 -2.897 10.984 -1.931 1.00 0.00 N ATOM 970 CA THR A 71 -3.642 12.237 -1.923 1.00 0.00 C ATOM 971 C THR A 71 -5.144 11.984 -2.001 1.00 0.00 C ATOM 972 O THR A 71 -5.630 11.368 -2.949 1.00 0.00 O ATOM 973 CB THR A 71 -3.224 13.146 -3.095 1.00 0.00 C ATOM 974 OG1 THR A 71 -1.799 13.281 -3.126 1.00 0.00 O ATOM 975 CG2 THR A 71 -3.867 14.519 -2.969 1.00 0.00 C ATOM 0 H THR A 71 -3.297 10.259 -2.527 1.00 0.00 H new ATOM 0 HA THR A 71 -3.409 12.738 -0.983 1.00 0.00 H new ATOM 0 HB THR A 71 -3.564 12.686 -4.023 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.541 13.859 -3.874 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.558 15.144 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.952 14.415 -2.975 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.552 14.984 -2.035 1.00 0.00 H new ATOM 983 N ASP A 72 -5.872 12.465 -1.000 1.00 0.00 N ATOM 984 CA ASP A 72 -7.320 12.293 -0.956 1.00 0.00 C ATOM 985 C ASP A 72 -8.033 13.599 -1.291 1.00 0.00 C ATOM 986 O ASP A 72 -7.827 14.617 -0.631 1.00 0.00 O ATOM 987 CB ASP A 72 -7.755 11.799 0.425 1.00 0.00 C ATOM 988 CG ASP A 72 -9.223 11.426 0.470 1.00 0.00 C ATOM 989 OD1 ASP A 72 -10.060 12.331 0.675 1.00 0.00 O ATOM 990 OD2 ASP A 72 -9.537 10.230 0.300 1.00 0.00 O ATOM 0 H ASP A 72 -5.484 12.977 -0.208 1.00 0.00 H new ATOM 0 HA ASP A 72 -7.595 11.548 -1.703 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.154 10.933 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.557 12.575 1.164 1.00 0.00 H new ATOM 995 N ASN A 73 -8.871 13.562 -2.322 1.00 0.00 N ATOM 996 CA ASN A 73 -9.613 14.744 -2.746 1.00 0.00 C ATOM 997 C ASN A 73 -11.053 14.691 -2.244 1.00 0.00 C ATOM 998 O ASN A 73 -11.933 15.363 -2.781 1.00 0.00 O ATOM 999 CB ASN A 73 -9.598 14.861 -4.272 1.00 0.00 C ATOM 1000 CG ASN A 73 -8.395 15.633 -4.780 1.00 0.00 C ATOM 1001 OD1 ASN A 73 -7.295 15.090 -4.886 1.00 0.00 O ATOM 1002 ND2 ASN A 73 -8.600 16.906 -5.096 1.00 0.00 N ATOM 0 H ASN A 73 -9.053 12.727 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 73 -9.128 15.620 -2.316 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.598 13.863 -4.710 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.511 15.355 -4.605 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.828 17.476 -5.443 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.529 17.314 -4.992 1.00 0.00 H new ATOM 1009 N GLN A 74 -11.284 13.888 -1.210 1.00 0.00 N ATOM 1010 CA GLN A 74 -12.617 13.748 -0.636 1.00 0.00 C ATOM 1011 C GLN A 74 -12.675 14.360 0.760 1.00 0.00 C ATOM 1012 O GLN A 74 -13.747 14.471 1.356 1.00 0.00 O ATOM 1013 CB GLN A 74 -13.016 12.273 -0.575 1.00 0.00 C ATOM 1014 CG GLN A 74 -12.742 11.515 -1.864 1.00 0.00 C ATOM 1015 CD GLN A 74 -13.904 11.575 -2.835 1.00 0.00 C ATOM 1016 OE1 GLN A 74 -15.044 11.828 -2.443 1.00 0.00 O ATOM 1017 NE2 GLN A 74 -13.622 11.342 -4.112 1.00 0.00 N ATOM 0 H GLN A 74 -10.566 13.325 -0.753 1.00 0.00 H new ATOM 0 HA GLN A 74 -13.319 14.281 -1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -12.476 11.793 0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -14.078 12.202 -0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -11.853 11.927 -2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -12.523 10.473 -1.629 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -12.663 11.136 -4.393 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -14.364 11.369 -4.811 1.00 0.00 H new ATOM 1026 N ARG A 75 -11.516 14.757 1.276 1.00 0.00 N ATOM 1027 CA ARG A 75 -11.435 15.356 2.602 1.00 0.00 C ATOM 1028 C ARG A 75 -12.414 14.687 3.562 1.00 0.00 C ATOM 1029 O ARG A 75 -13.116 15.358 4.319 1.00 0.00 O ATOM 1030 CB ARG A 75 -11.725 16.857 2.525 1.00 0.00 C ATOM 1031 CG ARG A 75 -10.935 17.575 1.444 1.00 0.00 C ATOM 1032 CD ARG A 75 -11.218 19.069 1.447 1.00 0.00 C ATOM 1033 NE ARG A 75 -12.645 19.356 1.333 1.00 0.00 N ATOM 1034 CZ ARG A 75 -13.139 20.580 1.177 1.00 0.00 C ATOM 1035 NH1 ARG A 75 -12.324 21.624 1.116 1.00 0.00 N ATOM 1036 NH2 ARG A 75 -14.450 20.760 1.080 1.00 0.00 N ATOM 0 H ARG A 75 -10.620 14.674 0.795 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.423 15.207 2.980 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.790 17.004 2.343 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.501 17.312 3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.869 17.405 1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.188 17.158 0.469 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.832 19.509 2.366 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.686 19.540 0.620 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.299 18.574 1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.316 21.489 1.189 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.705 22.562 0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.080 19.959 1.125 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.828 21.700 0.960 1.00 0.00 H new ATOM 1050 N LYS A 76 -12.456 13.359 3.526 1.00 0.00 N ATOM 1051 CA LYS A 76 -13.347 12.597 4.392 1.00 0.00 C ATOM 1052 C LYS A 76 -12.632 12.172 5.670 1.00 0.00 C ATOM 1053 O LYS A 76 -13.080 12.479 6.776 1.00 0.00 O ATOM 1054 CB LYS A 76 -13.875 11.363 3.656 1.00 0.00 C ATOM 1055 CG LYS A 76 -14.788 11.696 2.488 1.00 0.00 C ATOM 1056 CD LYS A 76 -15.546 10.470 2.007 1.00 0.00 C ATOM 1057 CE LYS A 76 -16.814 10.246 2.817 1.00 0.00 C ATOM 1058 NZ LYS A 76 -17.953 11.055 2.300 1.00 0.00 N ATOM 0 H LYS A 76 -11.882 12.788 2.905 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.186 13.238 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.030 10.779 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.417 10.733 4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.496 12.469 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.197 12.105 1.668 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -15.802 10.589 0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -14.905 9.592 2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.079 9.189 2.792 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.629 10.504 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -18.798 10.874 2.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.711 12.065 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.146 10.791 1.313 1.00 0.00 H new ATOM 1072 N LEU A 77 -11.518 11.467 5.512 1.00 0.00 N ATOM 1073 CA LEU A 77 -10.739 11.001 6.655 1.00 0.00 C ATOM 1074 C LEU A 77 -9.452 11.808 6.802 1.00 0.00 C ATOM 1075 O LEU A 77 -9.090 12.224 7.902 1.00 0.00 O ATOM 1076 CB LEU A 77 -10.408 9.516 6.500 1.00 0.00 C ATOM 1077 CG LEU A 77 -11.603 8.574 6.350 1.00 0.00 C ATOM 1078 CD1 LEU A 77 -11.185 7.288 5.654 1.00 0.00 C ATOM 1079 CD2 LEU A 77 -12.218 8.272 7.709 1.00 0.00 C ATOM 0 H LEU A 77 -11.133 11.205 4.604 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.339 11.141 7.554 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.765 9.397 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.829 9.201 7.368 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.355 9.068 5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.048 6.630 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.792 7.521 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.414 6.790 6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.067 7.600 7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.473 7.799 8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.555 9.200 8.170 1.00 0.00 H new ATOM 1091 N PHE A 78 -8.767 12.027 5.684 1.00 0.00 N ATOM 1092 CA PHE A 78 -7.521 12.785 5.688 1.00 0.00 C ATOM 1093 C PHE A 78 -7.413 13.661 4.443 1.00 0.00 C ATOM 1094 O PHE A 78 -8.256 13.594 3.549 1.00 0.00 O ATOM 1095 CB PHE A 78 -6.322 11.837 5.764 1.00 0.00 C ATOM 1096 CG PHE A 78 -6.099 11.051 4.504 1.00 0.00 C ATOM 1097 CD1 PHE A 78 -7.070 10.182 4.033 1.00 0.00 C ATOM 1098 CD2 PHE A 78 -4.918 11.181 3.791 1.00 0.00 C ATOM 1099 CE1 PHE A 78 -6.868 9.457 2.873 1.00 0.00 C ATOM 1100 CE2 PHE A 78 -4.711 10.459 2.630 1.00 0.00 C ATOM 1101 CZ PHE A 78 -5.687 9.595 2.171 1.00 0.00 C ATOM 0 H PHE A 78 -9.053 11.691 4.765 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.521 13.431 6.566 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -5.425 12.415 5.986 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -6.468 11.145 6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.995 10.070 4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.151 11.853 4.146 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.633 8.783 2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.787 10.570 2.082 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.526 9.029 1.265 1.00 0.00 H new ATOM 1111 N PHE A 79 -6.370 14.482 4.394 1.00 0.00 N ATOM 1112 CA PHE A 79 -6.152 15.373 3.260 1.00 0.00 C ATOM 1113 C PHE A 79 -4.969 14.902 2.418 1.00 0.00 C ATOM 1114 O PHE A 79 -5.112 14.629 1.226 1.00 0.00 O ATOM 1115 CB PHE A 79 -5.908 16.803 3.747 1.00 0.00 C ATOM 1116 CG PHE A 79 -5.735 17.795 2.632 1.00 0.00 C ATOM 1117 CD1 PHE A 79 -6.754 18.014 1.718 1.00 0.00 C ATOM 1118 CD2 PHE A 79 -4.555 18.507 2.498 1.00 0.00 C ATOM 1119 CE1 PHE A 79 -6.598 18.926 0.692 1.00 0.00 C ATOM 1120 CE2 PHE A 79 -4.394 19.421 1.474 1.00 0.00 C ATOM 1121 CZ PHE A 79 -5.416 19.630 0.569 1.00 0.00 C ATOM 0 H PHE A 79 -5.663 14.549 5.126 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.048 15.356 2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.745 17.113 4.372 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -5.018 16.817 4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -7.680 17.466 1.809 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.752 18.346 3.202 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.400 19.088 -0.013 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.469 19.972 1.382 1.00 0.00 H new ATOM 0 HZ PHE A 79 -5.291 20.342 -0.233 1.00 0.00 H new ATOM 1131 N ARG A 80 -3.802 14.810 3.047 1.00 0.00 N ATOM 1132 CA ARG A 80 -2.594 14.374 2.356 1.00 0.00 C ATOM 1133 C ARG A 80 -1.754 13.467 3.251 1.00 0.00 C ATOM 1134 O ARG A 80 -1.836 13.539 4.477 1.00 0.00 O ATOM 1135 CB ARG A 80 -1.767 15.584 1.918 1.00 0.00 C ATOM 1136 CG ARG A 80 -2.380 16.354 0.760 1.00 0.00 C ATOM 1137 CD ARG A 80 -1.627 17.647 0.489 1.00 0.00 C ATOM 1138 NE ARG A 80 -0.500 17.445 -0.417 1.00 0.00 N ATOM 1139 CZ ARG A 80 -0.635 17.196 -1.714 1.00 0.00 C ATOM 1140 NH1 ARG A 80 -1.843 17.119 -2.256 1.00 0.00 N ATOM 1141 NH2 ARG A 80 0.439 17.023 -2.474 1.00 0.00 N ATOM 0 H ARG A 80 -3.667 15.031 4.034 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.894 13.809 1.473 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -1.646 16.257 2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.770 15.248 1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -2.372 15.733 -0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -3.423 16.579 0.983 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.310 18.381 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.265 18.060 1.431 1.00 0.00 H new ATOM 0 HE ARG A 80 0.443 17.498 -0.032 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.672 17.251 -1.676 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.943 16.928 -3.253 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.370 17.081 -2.062 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.333 16.832 -3.470 1.00 0.00 H new ATOM 1155 N ARG A 81 -0.947 12.614 2.628 1.00 0.00 N ATOM 1156 CA ARG A 81 -0.094 11.692 3.367 1.00 0.00 C ATOM 1157 C ARG A 81 0.974 11.092 2.457 1.00 0.00 C ATOM 1158 O ARG A 81 0.666 10.536 1.403 1.00 0.00 O ATOM 1159 CB ARG A 81 -0.933 10.575 3.991 1.00 0.00 C ATOM 1160 CG ARG A 81 -0.269 9.910 5.186 1.00 0.00 C ATOM 1161 CD ARG A 81 -0.329 10.795 6.421 1.00 0.00 C ATOM 1162 NE ARG A 81 0.454 10.247 7.525 1.00 0.00 N ATOM 1163 CZ ARG A 81 0.092 9.175 8.222 1.00 0.00 C ATOM 1164 NH1 ARG A 81 -1.034 8.540 7.930 1.00 0.00 N ATOM 1165 NH2 ARG A 81 0.858 8.737 9.213 1.00 0.00 N ATOM 0 H ARG A 81 -0.866 12.543 1.614 1.00 0.00 H new ATOM 0 HA ARG A 81 0.401 12.252 4.161 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.894 10.984 4.301 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.138 9.819 3.233 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.760 8.959 5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.771 9.686 4.948 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.041 11.790 6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.367 10.910 6.734 1.00 0.00 H new ATOM 0 HE ARG A 81 1.327 10.712 7.775 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.625 8.874 7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.310 7.717 8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.725 9.223 9.440 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.579 7.914 9.748 1.00 0.00 H new ATOM 1179 N HIS A 82 2.232 11.209 2.872 1.00 0.00 N ATOM 1180 CA HIS A 82 3.346 10.678 2.095 1.00 0.00 C ATOM 1181 C HIS A 82 4.401 10.061 3.009 1.00 0.00 C ATOM 1182 O HIS A 82 4.794 10.658 4.011 1.00 0.00 O ATOM 1183 CB HIS A 82 3.974 11.783 1.245 1.00 0.00 C ATOM 1184 CG HIS A 82 5.382 11.490 0.827 1.00 0.00 C ATOM 1185 ND1 HIS A 82 5.738 10.362 0.118 1.00 0.00 N ATOM 1186 CD2 HIS A 82 6.527 12.186 1.022 1.00 0.00 C ATOM 1187 CE1 HIS A 82 7.040 10.377 -0.105 1.00 0.00 C ATOM 1188 NE2 HIS A 82 7.542 11.473 0.434 1.00 0.00 N ATOM 0 H HIS A 82 2.505 11.667 3.742 1.00 0.00 H new ATOM 0 HA HIS A 82 2.960 9.899 1.438 1.00 0.00 H new ATOM 0 HB2 HIS A 82 3.364 11.936 0.355 1.00 0.00 H new ATOM 0 HB3 HIS A 82 3.957 12.717 1.807 1.00 0.00 H new ATOM 0 HD1 HIS A 82 5.096 9.630 -0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.624 13.127 1.543 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.599 9.622 -0.637 1.00 0.00 H new ATOM 1197 N TYR A 83 4.854 8.864 2.656 1.00 0.00 N ATOM 1198 CA TYR A 83 5.861 8.164 3.446 1.00 0.00 C ATOM 1199 C TYR A 83 7.179 8.067 2.685 1.00 0.00 C ATOM 1200 O TYR A 83 7.212 7.901 1.466 1.00 0.00 O ATOM 1201 CB TYR A 83 5.368 6.764 3.815 1.00 0.00 C ATOM 1202 CG TYR A 83 3.927 6.731 4.273 1.00 0.00 C ATOM 1203 CD1 TYR A 83 3.560 7.237 5.514 1.00 0.00 C ATOM 1204 CD2 TYR A 83 2.933 6.192 3.466 1.00 0.00 C ATOM 1205 CE1 TYR A 83 2.246 7.208 5.937 1.00 0.00 C ATOM 1206 CE2 TYR A 83 1.616 6.160 3.880 1.00 0.00 C ATOM 1207 CZ TYR A 83 1.277 6.669 5.116 1.00 0.00 C ATOM 1208 OH TYR A 83 -0.034 6.637 5.533 1.00 0.00 O ATOM 0 H TYR A 83 4.540 8.357 1.828 1.00 0.00 H new ATOM 0 HA TYR A 83 6.031 8.734 4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 83 5.481 6.109 2.951 1.00 0.00 H new ATOM 0 HB3 TYR A 83 6.001 6.362 4.606 1.00 0.00 H new ATOM 0 HD1 TYR A 83 4.316 7.660 6.159 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.195 5.791 2.498 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.978 7.605 6.905 1.00 0.00 H new ATOM 0 HE2 TYR A 83 0.856 5.739 3.239 1.00 0.00 H new ATOM 0 HH TYR A 83 -0.117 6.042 6.307 1.00 0.00 H new ATOM 1218 N PRO A 84 8.295 8.174 3.422 1.00 0.00 N ATOM 1219 CA PRO A 84 9.638 8.100 2.839 1.00 0.00 C ATOM 1220 C PRO A 84 9.980 6.698 2.346 1.00 0.00 C ATOM 1221 O PRO A 84 9.512 5.703 2.899 1.00 0.00 O ATOM 1222 CB PRO A 84 10.552 8.495 4.002 1.00 0.00 C ATOM 1223 CG PRO A 84 9.778 8.147 5.227 1.00 0.00 C ATOM 1224 CD PRO A 84 8.332 8.373 4.880 1.00 0.00 C ATOM 0 HA PRO A 84 9.738 8.741 1.963 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.497 7.954 3.964 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.792 9.558 3.974 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.952 7.111 5.518 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.079 8.770 6.069 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.680 7.670 5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.004 9.375 5.157 1.00 0.00 H new ATOM 1232 N VAL A 85 10.800 6.626 1.302 1.00 0.00 N ATOM 1233 CA VAL A 85 11.206 5.346 0.735 1.00 0.00 C ATOM 1234 C VAL A 85 11.821 4.444 1.798 1.00 0.00 C ATOM 1235 O VAL A 85 11.916 3.231 1.619 1.00 0.00 O ATOM 1236 CB VAL A 85 12.218 5.535 -0.411 1.00 0.00 C ATOM 1237 CG1 VAL A 85 13.499 6.170 0.107 1.00 0.00 C ATOM 1238 CG2 VAL A 85 12.509 4.204 -1.089 1.00 0.00 C ATOM 0 H VAL A 85 11.196 7.440 0.832 1.00 0.00 H new ATOM 0 HA VAL A 85 10.306 4.875 0.340 1.00 0.00 H new ATOM 0 HB VAL A 85 11.782 6.206 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 85 14.202 6.296 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 85 13.272 7.143 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 85 13.942 5.527 0.867 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.226 4.356 -1.896 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.925 3.508 -0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.585 3.794 -1.497 1.00 0.00 H new ATOM 1248 N ASN A 86 12.239 5.046 2.907 1.00 0.00 N ATOM 1249 CA ASN A 86 12.846 4.297 4.002 1.00 0.00 C ATOM 1250 C ASN A 86 11.780 3.606 4.846 1.00 0.00 C ATOM 1251 O ASN A 86 11.767 2.382 4.968 1.00 0.00 O ATOM 1252 CB ASN A 86 13.685 5.228 4.880 1.00 0.00 C ATOM 1253 CG ASN A 86 14.058 4.591 6.205 1.00 0.00 C ATOM 1254 OD1 ASN A 86 14.284 3.383 6.284 1.00 0.00 O ATOM 1255 ND2 ASN A 86 14.125 5.403 7.254 1.00 0.00 N ATOM 0 H ASN A 86 12.169 6.050 3.071 1.00 0.00 H new ATOM 0 HA ASN A 86 13.493 3.533 3.572 1.00 0.00 H new ATOM 0 HB2 ASN A 86 14.593 5.507 4.345 1.00 0.00 H new ATOM 0 HB3 ASN A 86 13.129 6.147 5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 86 14.372 5.032 8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 86 13.930 6.398 7.142 1.00 0.00 H new ATOM 1262 N SER A 87 10.885 4.401 5.426 1.00 0.00 N ATOM 1263 CA SER A 87 9.816 3.866 6.261 1.00 0.00 C ATOM 1264 C SER A 87 9.312 2.535 5.713 1.00 0.00 C ATOM 1265 O SER A 87 9.200 1.552 6.446 1.00 0.00 O ATOM 1266 CB SER A 87 8.661 4.865 6.349 1.00 0.00 C ATOM 1267 OG SER A 87 7.487 4.245 6.844 1.00 0.00 O ATOM 0 H SER A 87 10.879 5.417 5.333 1.00 0.00 H new ATOM 0 HA SER A 87 10.219 3.698 7.260 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.941 5.693 7.000 1.00 0.00 H new ATOM 0 HB3 SER A 87 8.465 5.287 5.363 1.00 0.00 H new ATOM 0 HG SER A 87 7.123 4.776 7.583 1.00 0.00 H new ATOM 1273 N ILE A 88 9.010 2.512 4.419 1.00 0.00 N ATOM 1274 CA ILE A 88 8.519 1.302 3.771 1.00 0.00 C ATOM 1275 C ILE A 88 9.542 0.174 3.865 1.00 0.00 C ATOM 1276 O ILE A 88 10.688 0.324 3.441 1.00 0.00 O ATOM 1277 CB ILE A 88 8.183 1.553 2.289 1.00 0.00 C ATOM 1278 CG1 ILE A 88 7.215 2.731 2.156 1.00 0.00 C ATOM 1279 CG2 ILE A 88 7.592 0.300 1.661 1.00 0.00 C ATOM 1280 CD1 ILE A 88 7.368 3.494 0.859 1.00 0.00 C ATOM 0 H ILE A 88 9.097 3.317 3.799 1.00 0.00 H new ATOM 0 HA ILE A 88 7.610 1.010 4.296 1.00 0.00 H new ATOM 0 HB ILE A 88 9.103 1.802 1.759 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.192 2.361 2.232 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.370 3.414 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 88 7.360 0.493 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 88 8.312 -0.515 1.729 1.00 0.00 H new ATOM 0 HG23 ILE A 88 6.680 0.023 2.190 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.651 4.315 0.833 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.380 3.894 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.184 2.824 0.019 1.00 0.00 H new ATOM 1292 N THR A 89 9.119 -0.956 4.422 1.00 0.00 N ATOM 1293 CA THR A 89 9.997 -2.110 4.570 1.00 0.00 C ATOM 1294 C THR A 89 9.393 -3.348 3.918 1.00 0.00 C ATOM 1295 O THR A 89 10.081 -4.092 3.218 1.00 0.00 O ATOM 1296 CB THR A 89 10.280 -2.413 6.054 1.00 0.00 C ATOM 1297 OG1 THR A 89 9.057 -2.712 6.735 1.00 0.00 O ATOM 1298 CG2 THR A 89 10.965 -1.232 6.726 1.00 0.00 C ATOM 0 H THR A 89 8.174 -1.097 4.778 1.00 0.00 H new ATOM 0 HA THR A 89 10.934 -1.860 4.072 1.00 0.00 H new ATOM 0 HB THR A 89 10.944 -3.276 6.106 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.246 -2.905 7.677 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.155 -1.469 7.773 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.910 -1.025 6.224 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.322 -0.354 6.664 1.00 0.00 H new ATOM 1306 N PHE A 90 8.102 -3.564 4.150 1.00 0.00 N ATOM 1307 CA PHE A 90 7.405 -4.713 3.584 1.00 0.00 C ATOM 1308 C PHE A 90 6.151 -4.274 2.834 1.00 0.00 C ATOM 1309 O PHE A 90 5.548 -3.251 3.157 1.00 0.00 O ATOM 1310 CB PHE A 90 7.032 -5.704 4.688 1.00 0.00 C ATOM 1311 CG PHE A 90 6.477 -7.000 4.168 1.00 0.00 C ATOM 1312 CD1 PHE A 90 7.309 -7.935 3.573 1.00 0.00 C ATOM 1313 CD2 PHE A 90 5.125 -7.283 4.275 1.00 0.00 C ATOM 1314 CE1 PHE A 90 6.801 -9.128 3.093 1.00 0.00 C ATOM 1315 CE2 PHE A 90 4.612 -8.474 3.798 1.00 0.00 C ATOM 1316 CZ PHE A 90 5.451 -9.398 3.207 1.00 0.00 C ATOM 0 H PHE A 90 7.518 -2.958 4.726 1.00 0.00 H new ATOM 0 HA PHE A 90 8.076 -5.202 2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.915 -5.912 5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.297 -5.242 5.347 1.00 0.00 H new ATOM 0 HD1 PHE A 90 8.365 -7.730 3.483 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.464 -6.564 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 90 7.459 -9.848 2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.556 -8.682 3.887 1.00 0.00 H new ATOM 0 HZ PHE A 90 5.052 -10.330 2.835 1.00 0.00 H new ATOM 1326 N SER A 91 5.766 -5.054 1.829 1.00 0.00 N ATOM 1327 CA SER A 91 4.587 -4.744 1.029 1.00 0.00 C ATOM 1328 C SER A 91 4.225 -5.914 0.119 1.00 0.00 C ATOM 1329 O SER A 91 5.014 -6.319 -0.734 1.00 0.00 O ATOM 1330 CB SER A 91 4.829 -3.487 0.191 1.00 0.00 C ATOM 1331 OG SER A 91 3.807 -3.314 -0.775 1.00 0.00 O ATOM 0 H SER A 91 6.253 -5.905 1.549 1.00 0.00 H new ATOM 0 HA SER A 91 3.754 -4.564 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.870 -2.614 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.796 -3.559 -0.307 1.00 0.00 H new ATOM 0 HG SER A 91 4.211 -3.159 -1.654 1.00 0.00 H new ATOM 1337 N SER A 92 3.024 -6.453 0.308 1.00 0.00 N ATOM 1338 CA SER A 92 2.557 -7.579 -0.492 1.00 0.00 C ATOM 1339 C SER A 92 1.068 -7.824 -0.269 1.00 0.00 C ATOM 1340 O SER A 92 0.529 -7.519 0.795 1.00 0.00 O ATOM 1341 CB SER A 92 3.351 -8.841 -0.148 1.00 0.00 C ATOM 1342 OG SER A 92 2.977 -9.922 -0.983 1.00 0.00 O ATOM 0 H SER A 92 2.357 -6.128 1.008 1.00 0.00 H new ATOM 0 HA SER A 92 2.713 -7.335 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.418 -8.645 -0.258 1.00 0.00 H new ATOM 0 HB3 SER A 92 3.182 -9.108 0.895 1.00 0.00 H new ATOM 0 HG SER A 92 3.500 -10.716 -0.744 1.00 0.00 H new ATOM 1348 N THR A 93 0.407 -8.377 -1.281 1.00 0.00 N ATOM 1349 CA THR A 93 -1.020 -8.662 -1.198 1.00 0.00 C ATOM 1350 C THR A 93 -1.346 -9.472 0.051 1.00 0.00 C ATOM 1351 O THR A 93 -0.527 -10.261 0.523 1.00 0.00 O ATOM 1352 CB THR A 93 -1.512 -9.431 -2.438 1.00 0.00 C ATOM 1353 OG1 THR A 93 -0.613 -10.505 -2.738 1.00 0.00 O ATOM 1354 CG2 THR A 93 -1.623 -8.506 -3.640 1.00 0.00 C ATOM 0 H THR A 93 0.838 -8.637 -2.168 1.00 0.00 H new ATOM 0 HA THR A 93 -1.532 -7.701 -1.149 1.00 0.00 H new ATOM 0 HB THR A 93 -2.500 -9.835 -2.218 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.934 -10.990 -3.527 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.972 -9.072 -4.504 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.330 -7.707 -3.420 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.646 -8.076 -3.859 1.00 0.00 H new ATOM 1362 N ASP A 94 -2.547 -9.274 0.582 1.00 0.00 N ATOM 1363 CA ASP A 94 -2.983 -9.988 1.777 1.00 0.00 C ATOM 1364 C ASP A 94 -2.811 -11.494 1.603 1.00 0.00 C ATOM 1365 O ASP A 94 -3.026 -12.047 0.524 1.00 0.00 O ATOM 1366 CB ASP A 94 -4.444 -9.662 2.088 1.00 0.00 C ATOM 1367 CG ASP A 94 -5.393 -10.188 1.029 1.00 0.00 C ATOM 1368 OD1 ASP A 94 -4.999 -10.226 -0.155 1.00 0.00 O ATOM 1369 OD2 ASP A 94 -6.531 -10.562 1.385 1.00 0.00 O ATOM 0 H ASP A 94 -3.237 -8.625 0.204 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.361 -9.663 2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -4.711 -10.089 3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.562 -8.582 2.173 1.00 0.00 H new ATOM 1374 N PRO A 95 -2.414 -12.174 2.688 1.00 0.00 N ATOM 1375 CA PRO A 95 -2.204 -13.625 2.680 1.00 0.00 C ATOM 1376 C PRO A 95 -3.511 -14.399 2.553 1.00 0.00 C ATOM 1377 O PRO A 95 -3.555 -15.462 1.934 1.00 0.00 O ATOM 1378 CB PRO A 95 -1.551 -13.896 4.038 1.00 0.00 C ATOM 1379 CG PRO A 95 -2.007 -12.776 4.908 1.00 0.00 C ATOM 1380 CD PRO A 95 -2.139 -11.580 4.007 1.00 0.00 C ATOM 0 HA PRO A 95 -1.601 -13.945 1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.860 -14.861 4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.464 -13.917 3.957 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.959 -13.014 5.383 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.290 -12.586 5.707 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -2.947 -10.923 4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -1.227 -10.983 3.996 1.00 0.00 H new ATOM 1388 N GLN A 96 -4.573 -13.859 3.142 1.00 0.00 N ATOM 1389 CA GLN A 96 -5.881 -14.501 3.094 1.00 0.00 C ATOM 1390 C GLN A 96 -6.533 -14.307 1.729 1.00 0.00 C ATOM 1391 O GLN A 96 -7.484 -15.006 1.379 1.00 0.00 O ATOM 1392 CB GLN A 96 -6.789 -13.939 4.190 1.00 0.00 C ATOM 1393 CG GLN A 96 -6.354 -14.322 5.595 1.00 0.00 C ATOM 1394 CD GLN A 96 -5.182 -13.497 6.089 1.00 0.00 C ATOM 1395 OE1 GLN A 96 -5.079 -12.306 5.794 1.00 0.00 O ATOM 1396 NE2 GLN A 96 -4.291 -14.128 6.845 1.00 0.00 N ATOM 0 H GLN A 96 -4.553 -12.979 3.658 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.740 -15.569 3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -6.812 -12.852 4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.807 -14.293 4.024 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -7.194 -14.197 6.278 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.083 -15.378 5.612 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.417 -15.116 7.064 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -3.481 -13.624 7.206 1.00 0.00 H new ATOM 1405 N ASP A 97 -6.016 -13.354 0.962 1.00 0.00 N ATOM 1406 CA ASP A 97 -6.547 -13.068 -0.366 1.00 0.00 C ATOM 1407 C ASP A 97 -8.072 -13.066 -0.352 1.00 0.00 C ATOM 1408 O ASP A 97 -8.711 -13.662 -1.219 1.00 0.00 O ATOM 1409 CB ASP A 97 -6.035 -14.097 -1.375 1.00 0.00 C ATOM 1410 CG ASP A 97 -4.589 -13.857 -1.763 1.00 0.00 C ATOM 1411 OD1 ASP A 97 -4.345 -13.023 -2.660 1.00 0.00 O ATOM 1412 OD2 ASP A 97 -3.701 -14.504 -1.170 1.00 0.00 O ATOM 0 H ASP A 97 -5.229 -12.766 1.237 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.203 -12.077 -0.663 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -6.134 -15.097 -0.952 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.658 -14.066 -2.269 1.00 0.00 H new ATOM 1417 N ARG A 98 -8.649 -12.393 0.639 1.00 0.00 N ATOM 1418 CA ARG A 98 -10.099 -12.316 0.767 1.00 0.00 C ATOM 1419 C ARG A 98 -10.669 -11.235 -0.147 1.00 0.00 C ATOM 1420 O ARG A 98 -9.923 -10.503 -0.799 1.00 0.00 O ATOM 1421 CB ARG A 98 -10.490 -12.029 2.218 1.00 0.00 C ATOM 1422 CG ARG A 98 -11.836 -12.614 2.613 1.00 0.00 C ATOM 1423 CD ARG A 98 -11.877 -12.969 4.090 1.00 0.00 C ATOM 1424 NE ARG A 98 -13.099 -13.686 4.447 1.00 0.00 N ATOM 1425 CZ ARG A 98 -13.314 -14.963 4.151 1.00 0.00 C ATOM 1426 NH1 ARG A 98 -12.395 -15.660 3.497 1.00 0.00 N ATOM 1427 NH2 ARG A 98 -14.451 -15.546 4.509 1.00 0.00 N ATOM 0 H ARG A 98 -8.134 -11.894 1.364 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.516 -13.278 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.721 -12.430 2.879 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -10.513 -10.950 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.626 -11.897 2.388 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.035 -13.505 2.018 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.011 -13.582 4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.805 -12.058 4.684 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.826 -13.179 4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.520 -15.216 3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.563 -16.640 3.271 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -15.161 -15.014 5.012 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.615 -16.527 4.281 1.00 0.00 H new ATOM 1441 N ARG A 99 -11.994 -11.141 -0.191 1.00 0.00 N ATOM 1442 CA ARG A 99 -12.663 -10.152 -1.026 1.00 0.00 C ATOM 1443 C ARG A 99 -13.335 -9.083 -0.170 1.00 0.00 C ATOM 1444 O ARG A 99 -13.834 -9.369 0.919 1.00 0.00 O ATOM 1445 CB ARG A 99 -13.701 -10.828 -1.923 1.00 0.00 C ATOM 1446 CG ARG A 99 -13.113 -11.883 -2.847 1.00 0.00 C ATOM 1447 CD ARG A 99 -12.326 -11.250 -3.984 1.00 0.00 C ATOM 1448 NE ARG A 99 -11.463 -12.218 -4.657 1.00 0.00 N ATOM 1449 CZ ARG A 99 -11.902 -13.096 -5.552 1.00 0.00 C ATOM 1450 NH1 ARG A 99 -13.186 -13.128 -5.880 1.00 0.00 N ATOM 1451 NH2 ARG A 99 -11.055 -13.944 -6.121 1.00 0.00 N ATOM 0 H ARG A 99 -12.625 -11.739 0.343 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.910 -9.673 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -14.464 -11.290 -1.297 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.200 -10.068 -2.524 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.462 -12.546 -2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.915 -12.498 -3.256 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.018 -10.817 -4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.719 -10.433 -3.594 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.469 -12.220 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.840 -12.477 -5.445 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.520 -13.803 -6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.066 -13.922 -5.871 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.393 -14.618 -6.808 1.00 0.00 H new ATOM 1465 N TRP A 100 -13.344 -7.852 -0.668 1.00 0.00 N ATOM 1466 CA TRP A 100 -13.954 -6.740 0.052 1.00 0.00 C ATOM 1467 C TRP A 100 -15.250 -6.302 -0.621 1.00 0.00 C ATOM 1468 O TRP A 100 -15.230 -5.617 -1.645 1.00 0.00 O ATOM 1469 CB TRP A 100 -12.982 -5.561 0.130 1.00 0.00 C ATOM 1470 CG TRP A 100 -13.641 -4.273 0.519 1.00 0.00 C ATOM 1471 CD1 TRP A 100 -13.914 -3.213 -0.298 1.00 0.00 C ATOM 1472 CD2 TRP A 100 -14.108 -3.908 1.822 1.00 0.00 C ATOM 1473 NE1 TRP A 100 -14.523 -2.211 0.419 1.00 0.00 N ATOM 1474 CE2 TRP A 100 -14.654 -2.613 1.722 1.00 0.00 C ATOM 1475 CE3 TRP A 100 -14.120 -4.549 3.064 1.00 0.00 C ATOM 1476 CZ2 TRP A 100 -15.203 -1.950 2.816 1.00 0.00 C ATOM 1477 CZ3 TRP A 100 -14.666 -3.890 4.149 1.00 0.00 C ATOM 1478 CH2 TRP A 100 -15.202 -2.602 4.020 1.00 0.00 C ATOM 0 H TRP A 100 -12.936 -7.598 -1.568 1.00 0.00 H new ATOM 0 HA TRP A 100 -14.186 -7.077 1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -12.199 -5.792 0.852 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -12.497 -5.435 -0.838 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -13.685 -3.169 -1.353 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -14.828 -1.314 0.042 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -13.710 -5.542 3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -15.615 -0.956 2.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -14.680 -4.376 5.113 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -15.622 -2.114 4.887 1.00 0.00 H new ATOM 1489 N THR A 101 -16.378 -6.700 -0.040 1.00 0.00 N ATOM 1490 CA THR A 101 -17.683 -6.348 -0.584 1.00 0.00 C ATOM 1491 C THR A 101 -17.996 -4.874 -0.354 1.00 0.00 C ATOM 1492 O THR A 101 -18.499 -4.494 0.702 1.00 0.00 O ATOM 1493 CB THR A 101 -18.801 -7.202 0.043 1.00 0.00 C ATOM 1494 OG1 THR A 101 -18.421 -8.583 0.044 1.00 0.00 O ATOM 1495 CG2 THR A 101 -20.106 -7.031 -0.720 1.00 0.00 C ATOM 0 H THR A 101 -16.413 -7.266 0.808 1.00 0.00 H new ATOM 0 HA THR A 101 -17.642 -6.545 -1.655 1.00 0.00 H new ATOM 0 HB THR A 101 -18.952 -6.866 1.069 1.00 0.00 H new ATOM 0 HG1 THR A 101 -19.136 -9.119 0.446 1.00 0.00 H new ATOM 0 HG21 THR A 101 -20.880 -7.644 -0.258 1.00 0.00 H new ATOM 0 HG22 THR A 101 -20.408 -5.984 -0.694 1.00 0.00 H new ATOM 0 HG23 THR A 101 -19.966 -7.342 -1.755 1.00 0.00 H new ATOM 1503 N ASN A 102 -17.695 -4.048 -1.351 1.00 0.00 N ATOM 1504 CA ASN A 102 -17.945 -2.614 -1.258 1.00 0.00 C ATOM 1505 C ASN A 102 -19.376 -2.340 -0.805 1.00 0.00 C ATOM 1506 O ASN A 102 -20.259 -3.193 -0.901 1.00 0.00 O ATOM 1507 CB ASN A 102 -17.688 -1.942 -2.607 1.00 0.00 C ATOM 1508 CG ASN A 102 -16.247 -1.495 -2.765 1.00 0.00 C ATOM 1509 OD1 ASN A 102 -15.338 -2.456 -2.878 1.00 0.00 O flip ATOM 1510 ND2 ASN A 102 -15.955 -0.299 -2.786 1.00 0.00 N flip ATOM 0 H ASN A 102 -17.278 -4.347 -2.232 1.00 0.00 H new ATOM 0 HA ASN A 102 -17.262 -2.199 -0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -17.941 -2.635 -3.409 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -18.347 -1.080 -2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.686 0.406 -2.696 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.982 -0.013 -2.894 1.00 0.00 H new ATOM 1517 N PRO A 103 -19.613 -1.121 -0.299 1.00 0.00 N ATOM 1518 CA PRO A 103 -20.935 -0.705 0.178 1.00 0.00 C ATOM 1519 C PRO A 103 -21.935 -0.534 -0.961 1.00 0.00 C ATOM 1520 O PRO A 103 -23.124 -0.314 -0.728 1.00 0.00 O ATOM 1521 CB PRO A 103 -20.661 0.640 0.856 1.00 0.00 C ATOM 1522 CG PRO A 103 -19.432 1.156 0.190 1.00 0.00 C ATOM 1523 CD PRO A 103 -18.608 -0.054 -0.154 1.00 0.00 C ATOM 0 HA PRO A 103 -21.382 -1.448 0.839 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -21.498 1.326 0.728 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -20.509 0.519 1.929 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -19.683 1.725 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -18.883 1.827 0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -18.043 0.093 -1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -17.887 -0.285 0.630 1.00 0.00 H new ATOM 1531 N ASP A 104 -21.445 -0.636 -2.191 1.00 0.00 N ATOM 1532 CA ASP A 104 -22.297 -0.494 -3.367 1.00 0.00 C ATOM 1533 C ASP A 104 -22.903 -1.837 -3.764 1.00 0.00 C ATOM 1534 O ASP A 104 -24.065 -1.911 -4.161 1.00 0.00 O ATOM 1535 CB ASP A 104 -21.497 0.084 -4.535 1.00 0.00 C ATOM 1536 CG ASP A 104 -20.677 1.294 -4.133 1.00 0.00 C ATOM 1537 OD1 ASP A 104 -21.233 2.194 -3.470 1.00 0.00 O ATOM 1538 OD2 ASP A 104 -19.478 1.341 -4.481 1.00 0.00 O ATOM 0 H ASP A 104 -20.463 -0.816 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 104 -23.108 0.191 -3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -20.834 -0.684 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -22.180 0.362 -5.337 1.00 0.00 H new ATOM 1543 N GLY A 105 -22.106 -2.895 -3.656 1.00 0.00 N ATOM 1544 CA GLY A 105 -22.580 -4.221 -4.008 1.00 0.00 C ATOM 1545 C GLY A 105 -21.660 -4.925 -4.985 1.00 0.00 C ATOM 1546 O GLY A 105 -22.119 -5.578 -5.923 1.00 0.00 O ATOM 0 H GLY A 105 -21.140 -2.858 -3.331 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -22.673 -4.822 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -23.576 -4.144 -4.443 1.00 0.00 H new ATOM 1550 N THR A 106 -20.355 -4.793 -4.767 1.00 0.00 N ATOM 1551 CA THR A 106 -19.367 -5.420 -5.636 1.00 0.00 C ATOM 1552 C THR A 106 -18.169 -5.918 -4.836 1.00 0.00 C ATOM 1553 O THR A 106 -17.802 -5.334 -3.816 1.00 0.00 O ATOM 1554 CB THR A 106 -18.876 -4.445 -6.722 1.00 0.00 C ATOM 1555 OG1 THR A 106 -17.969 -5.113 -7.606 1.00 0.00 O ATOM 1556 CG2 THR A 106 -18.187 -3.241 -6.097 1.00 0.00 C ATOM 0 H THR A 106 -19.958 -4.257 -3.995 1.00 0.00 H new ATOM 0 HA THR A 106 -19.858 -6.267 -6.114 1.00 0.00 H new ATOM 0 HB THR A 106 -19.742 -4.097 -7.285 1.00 0.00 H new ATOM 0 HG1 THR A 106 -17.663 -4.487 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 106 -17.849 -2.566 -6.884 1.00 0.00 H new ATOM 0 HG22 THR A 106 -18.888 -2.718 -5.447 1.00 0.00 H new ATOM 0 HG23 THR A 106 -17.330 -3.575 -5.512 1.00 0.00 H new ATOM 1564 N THR A 107 -17.560 -7.003 -5.306 1.00 0.00 N ATOM 1565 CA THR A 107 -16.402 -7.580 -4.634 1.00 0.00 C ATOM 1566 C THR A 107 -15.102 -7.073 -5.246 1.00 0.00 C ATOM 1567 O THR A 107 -15.073 -6.644 -6.400 1.00 0.00 O ATOM 1568 CB THR A 107 -16.423 -9.119 -4.703 1.00 0.00 C ATOM 1569 OG1 THR A 107 -16.705 -9.546 -6.041 1.00 0.00 O ATOM 1570 CG2 THR A 107 -17.465 -9.690 -3.753 1.00 0.00 C ATOM 0 H THR A 107 -17.849 -7.499 -6.149 1.00 0.00 H new ATOM 0 HA THR A 107 -16.454 -7.269 -3.591 1.00 0.00 H new ATOM 0 HB THR A 107 -15.442 -9.487 -4.404 1.00 0.00 H new ATOM 0 HG1 THR A 107 -16.715 -10.525 -6.077 1.00 0.00 H new ATOM 0 HG21 THR A 107 -17.461 -10.778 -3.820 1.00 0.00 H new ATOM 0 HG22 THR A 107 -17.231 -9.388 -2.732 1.00 0.00 H new ATOM 0 HG23 THR A 107 -18.451 -9.314 -4.026 1.00 0.00 H new ATOM 1578 N SER A 108 -14.027 -7.125 -4.466 1.00 0.00 N ATOM 1579 CA SER A 108 -12.722 -6.667 -4.931 1.00 0.00 C ATOM 1580 C SER A 108 -11.602 -7.290 -4.105 1.00 0.00 C ATOM 1581 O SER A 108 -11.808 -7.692 -2.960 1.00 0.00 O ATOM 1582 CB SER A 108 -12.638 -5.141 -4.857 1.00 0.00 C ATOM 1583 OG SER A 108 -13.609 -4.535 -5.694 1.00 0.00 O ATOM 0 H SER A 108 -14.033 -7.479 -3.510 1.00 0.00 H new ATOM 0 HA SER A 108 -12.602 -6.981 -5.968 1.00 0.00 H new ATOM 0 HB2 SER A 108 -12.786 -4.815 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.642 -4.814 -5.154 1.00 0.00 H new ATOM 0 HG SER A 108 -13.991 -5.210 -6.294 1.00 0.00 H new ATOM 1589 N LYS A 109 -10.413 -7.366 -4.694 1.00 0.00 N ATOM 1590 CA LYS A 109 -9.257 -7.939 -4.014 1.00 0.00 C ATOM 1591 C LYS A 109 -8.796 -7.038 -2.873 1.00 0.00 C ATOM 1592 O LYS A 109 -9.109 -5.847 -2.844 1.00 0.00 O ATOM 1593 CB LYS A 109 -8.111 -8.152 -5.005 1.00 0.00 C ATOM 1594 CG LYS A 109 -7.066 -9.143 -4.522 1.00 0.00 C ATOM 1595 CD LYS A 109 -6.240 -9.688 -5.676 1.00 0.00 C ATOM 1596 CE LYS A 109 -5.482 -10.944 -5.273 1.00 0.00 C ATOM 1597 NZ LYS A 109 -4.966 -11.684 -6.458 1.00 0.00 N ATOM 0 H LYS A 109 -10.225 -7.038 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 109 -9.552 -8.902 -3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -8.521 -8.502 -5.952 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -7.628 -7.194 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -6.409 -8.658 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -7.556 -9.967 -4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -6.893 -9.911 -6.520 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.535 -8.928 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -4.650 -10.673 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -6.139 -11.595 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.456 -12.533 -6.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.762 -11.965 -7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.320 -11.072 -6.995 1.00 0.00 H new ATOM 1611 N ILE A 110 -8.050 -7.613 -1.935 1.00 0.00 N ATOM 1612 CA ILE A 110 -7.544 -6.861 -0.794 1.00 0.00 C ATOM 1613 C ILE A 110 -6.020 -6.876 -0.758 1.00 0.00 C ATOM 1614 O ILE A 110 -5.392 -7.899 -1.029 1.00 0.00 O ATOM 1615 CB ILE A 110 -8.083 -7.424 0.535 1.00 0.00 C ATOM 1616 CG1 ILE A 110 -9.589 -7.174 0.646 1.00 0.00 C ATOM 1617 CG2 ILE A 110 -7.349 -6.799 1.711 1.00 0.00 C ATOM 1618 CD1 ILE A 110 -10.282 -8.089 1.631 1.00 0.00 C ATOM 0 H ILE A 110 -7.783 -8.597 -1.943 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.892 -5.835 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.910 -8.500 0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.756 -6.139 0.944 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.044 -7.300 -0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -7.741 -7.207 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.285 -7.023 1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.494 -5.719 1.698 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -11.346 -7.855 1.658 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.146 -9.126 1.323 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.854 -7.946 2.623 1.00 0.00 H new ATOM 1630 N PHE A 111 -5.431 -5.734 -0.419 1.00 0.00 N ATOM 1631 CA PHE A 111 -3.979 -5.615 -0.346 1.00 0.00 C ATOM 1632 C PHE A 111 -3.574 -4.405 0.491 1.00 0.00 C ATOM 1633 O PHE A 111 -4.414 -3.593 0.875 1.00 0.00 O ATOM 1634 CB PHE A 111 -3.385 -5.499 -1.751 1.00 0.00 C ATOM 1635 CG PHE A 111 -3.355 -4.091 -2.276 1.00 0.00 C ATOM 1636 CD1 PHE A 111 -4.495 -3.514 -2.812 1.00 0.00 C ATOM 1637 CD2 PHE A 111 -2.188 -3.346 -2.232 1.00 0.00 C ATOM 1638 CE1 PHE A 111 -4.471 -2.219 -3.295 1.00 0.00 C ATOM 1639 CE2 PHE A 111 -2.158 -2.051 -2.713 1.00 0.00 C ATOM 1640 CZ PHE A 111 -3.301 -1.487 -3.246 1.00 0.00 C ATOM 0 H PHE A 111 -5.936 -4.878 -0.191 1.00 0.00 H new ATOM 0 HA PHE A 111 -3.589 -6.513 0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.370 -5.896 -1.741 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.964 -6.121 -2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -5.412 -4.082 -2.853 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.291 -3.782 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.366 -1.780 -3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.242 -1.480 -2.672 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.280 -0.475 -3.624 1.00 0.00 H new ATOM 1650 N GLY A 112 -2.279 -4.294 0.771 1.00 0.00 N ATOM 1651 CA GLY A 112 -1.784 -3.182 1.561 1.00 0.00 C ATOM 1652 C GLY A 112 -0.321 -3.337 1.927 1.00 0.00 C ATOM 1653 O GLY A 112 0.231 -4.435 1.857 1.00 0.00 O ATOM 0 H GLY A 112 -1.564 -4.954 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -1.920 -2.255 1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -2.376 -3.095 2.472 1.00 0.00 H new ATOM 1657 N PHE A 113 0.309 -2.234 2.318 1.00 0.00 N ATOM 1658 CA PHE A 113 1.718 -2.251 2.694 1.00 0.00 C ATOM 1659 C PHE A 113 1.898 -1.828 4.149 1.00 0.00 C ATOM 1660 O PHE A 113 0.973 -1.312 4.776 1.00 0.00 O ATOM 1661 CB PHE A 113 2.524 -1.326 1.779 1.00 0.00 C ATOM 1662 CG PHE A 113 2.058 0.102 1.810 1.00 0.00 C ATOM 1663 CD1 PHE A 113 0.874 0.472 1.193 1.00 0.00 C ATOM 1664 CD2 PHE A 113 2.805 1.074 2.456 1.00 0.00 C ATOM 1665 CE1 PHE A 113 0.442 1.784 1.220 1.00 0.00 C ATOM 1666 CE2 PHE A 113 2.378 2.388 2.487 1.00 0.00 C ATOM 1667 CZ PHE A 113 1.196 2.744 1.867 1.00 0.00 C ATOM 0 H PHE A 113 -0.134 -1.317 2.383 1.00 0.00 H new ATOM 0 HA PHE A 113 2.085 -3.271 2.582 1.00 0.00 H new ATOM 0 HB2 PHE A 113 3.574 -1.364 2.071 1.00 0.00 H new ATOM 0 HB3 PHE A 113 2.464 -1.697 0.756 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.281 -0.274 0.685 1.00 0.00 H new ATOM 0 HD2 PHE A 113 3.731 0.802 2.941 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -0.484 2.059 0.736 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.968 3.136 2.996 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.862 3.771 1.888 1.00 0.00 H new ATOM 1677 N VAL A 114 3.096 -2.052 4.680 1.00 0.00 N ATOM 1678 CA VAL A 114 3.399 -1.695 6.061 1.00 0.00 C ATOM 1679 C VAL A 114 4.504 -0.647 6.128 1.00 0.00 C ATOM 1680 O VAL A 114 5.646 -0.909 5.751 1.00 0.00 O ATOM 1681 CB VAL A 114 3.825 -2.928 6.879 1.00 0.00 C ATOM 1682 CG1 VAL A 114 3.676 -2.659 8.369 1.00 0.00 C ATOM 1683 CG2 VAL A 114 3.016 -4.148 6.465 1.00 0.00 C ATOM 0 H VAL A 114 3.872 -2.479 4.175 1.00 0.00 H new ATOM 0 HA VAL A 114 2.485 -1.283 6.489 1.00 0.00 H new ATOM 0 HB VAL A 114 4.876 -3.132 6.675 1.00 0.00 H new ATOM 0 HG11 VAL A 114 3.982 -3.542 8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 114 4.304 -1.814 8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.635 -2.428 8.595 1.00 0.00 H new ATOM 0 HG21 VAL A 114 3.331 -5.010 7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 114 1.957 -3.958 6.638 1.00 0.00 H new ATOM 0 HG23 VAL A 114 3.180 -4.352 5.407 1.00 0.00 H new ATOM 1693 N ALA A 115 4.156 0.542 6.610 1.00 0.00 N ATOM 1694 CA ALA A 115 5.119 1.629 6.729 1.00 0.00 C ATOM 1695 C ALA A 115 5.223 2.116 8.170 1.00 0.00 C ATOM 1696 O ALA A 115 4.249 2.074 8.922 1.00 0.00 O ATOM 1697 CB ALA A 115 4.734 2.778 5.808 1.00 0.00 C ATOM 0 H ALA A 115 3.214 0.776 6.924 1.00 0.00 H new ATOM 0 HA ALA A 115 6.096 1.250 6.430 1.00 0.00 H new ATOM 0 HB1 ALA A 115 5.462 3.583 5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.719 2.428 4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 115 3.745 3.147 6.081 1.00 0.00 H new ATOM 1703 N LYS A 116 6.410 2.576 8.551 1.00 0.00 N ATOM 1704 CA LYS A 116 6.641 3.072 9.902 1.00 0.00 C ATOM 1705 C LYS A 116 6.111 4.493 10.059 1.00 0.00 C ATOM 1706 O LYS A 116 6.020 5.244 9.087 1.00 0.00 O ATOM 1707 CB LYS A 116 8.135 3.035 10.232 1.00 0.00 C ATOM 1708 CG LYS A 116 8.703 1.629 10.324 1.00 0.00 C ATOM 1709 CD LYS A 116 10.221 1.643 10.385 1.00 0.00 C ATOM 1710 CE LYS A 116 10.801 0.257 10.154 1.00 0.00 C ATOM 1711 NZ LYS A 116 12.148 0.108 10.773 1.00 0.00 N ATOM 0 H LYS A 116 7.227 2.615 7.942 1.00 0.00 H new ATOM 0 HA LYS A 116 6.105 2.425 10.596 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.681 3.589 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 116 8.302 3.548 11.179 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.307 1.133 11.210 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.378 1.047 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.610 2.331 9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.544 2.016 11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.126 -0.492 10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.871 0.066 9.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.509 -0.851 10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 12.799 0.806 10.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 12.078 0.264 11.799 1.00 0.00 H new ATOM 1725 N LYS A 117 5.762 4.858 11.288 1.00 0.00 N ATOM 1726 CA LYS A 117 5.243 6.190 11.574 1.00 0.00 C ATOM 1727 C LYS A 117 6.344 7.239 11.458 1.00 0.00 C ATOM 1728 O LYS A 117 7.483 7.027 11.874 1.00 0.00 O ATOM 1729 CB LYS A 117 4.630 6.232 12.975 1.00 0.00 C ATOM 1730 CG LYS A 117 3.590 7.324 13.153 1.00 0.00 C ATOM 1731 CD LYS A 117 2.900 7.223 14.502 1.00 0.00 C ATOM 1732 CE LYS A 117 1.746 6.233 14.466 1.00 0.00 C ATOM 1733 NZ LYS A 117 0.511 6.841 13.898 1.00 0.00 N ATOM 0 H LYS A 117 5.829 4.249 12.103 1.00 0.00 H new ATOM 0 HA LYS A 117 4.470 6.416 10.840 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.171 5.267 13.191 1.00 0.00 H new ATOM 0 HB3 LYS A 117 5.425 6.377 13.706 1.00 0.00 H new ATOM 0 HG2 LYS A 117 4.066 8.300 13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.848 7.254 12.358 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.622 6.915 15.259 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.529 8.205 14.796 1.00 0.00 H new ATOM 0 HE2 LYS A 117 2.030 5.365 13.871 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.543 5.875 15.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.252 6.134 13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.225 7.654 14.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.697 7.160 12.926 1.00 0.00 H new ATOM 1747 N PRO A 118 5.999 8.399 10.880 1.00 0.00 N ATOM 1748 CA PRO A 118 6.943 9.505 10.698 1.00 0.00 C ATOM 1749 C PRO A 118 7.326 10.164 12.019 1.00 0.00 C ATOM 1750 O PRO A 118 8.241 10.985 12.072 1.00 0.00 O ATOM 1751 CB PRO A 118 6.172 10.489 9.814 1.00 0.00 C ATOM 1752 CG PRO A 118 4.737 10.198 10.086 1.00 0.00 C ATOM 1753 CD PRO A 118 4.659 8.721 10.361 1.00 0.00 C ATOM 0 HA PRO A 118 7.885 9.169 10.264 1.00 0.00 H new ATOM 0 HB2 PRO A 118 6.420 11.521 10.061 1.00 0.00 H new ATOM 0 HB3 PRO A 118 6.412 10.347 8.760 1.00 0.00 H new ATOM 0 HG2 PRO A 118 4.377 10.773 10.939 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.115 10.470 9.233 1.00 0.00 H new ATOM 0 HD2 PRO A 118 3.880 8.488 11.087 1.00 0.00 H new ATOM 0 HD3 PRO A 118 4.432 8.156 9.457 1.00 0.00 H new ATOM 1761 N GLY A 119 6.620 9.798 13.084 1.00 0.00 N ATOM 1762 CA GLY A 119 6.901 10.364 14.391 1.00 0.00 C ATOM 1763 C GLY A 119 7.300 9.310 15.405 1.00 0.00 C ATOM 1764 O GLY A 119 7.846 9.630 16.461 1.00 0.00 O ATOM 0 H GLY A 119 5.858 9.120 13.066 1.00 0.00 H new ATOM 0 HA2 GLY A 119 7.701 11.099 14.301 1.00 0.00 H new ATOM 0 HA3 GLY A 119 6.020 10.895 14.751 1.00 0.00 H new ATOM 1768 N SER A 120 7.027 8.049 15.085 1.00 0.00 N ATOM 1769 CA SER A 120 7.356 6.945 15.978 1.00 0.00 C ATOM 1770 C SER A 120 8.020 5.805 15.211 1.00 0.00 C ATOM 1771 O SER A 120 7.358 4.959 14.611 1.00 0.00 O ATOM 1772 CB SER A 120 6.096 6.436 16.680 1.00 0.00 C ATOM 1773 OG SER A 120 5.549 7.430 17.530 1.00 0.00 O ATOM 0 H SER A 120 6.579 7.767 14.213 1.00 0.00 H new ATOM 0 HA SER A 120 8.057 7.313 16.727 1.00 0.00 H new ATOM 0 HB2 SER A 120 5.356 6.141 15.936 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.335 5.546 17.262 1.00 0.00 H new ATOM 0 HG SER A 120 4.744 7.081 17.966 1.00 0.00 H new ATOM 1779 N PRO A 121 9.361 5.782 15.231 1.00 0.00 N ATOM 1780 CA PRO A 121 10.145 4.752 14.544 1.00 0.00 C ATOM 1781 C PRO A 121 10.014 3.385 15.207 1.00 0.00 C ATOM 1782 O PRO A 121 10.590 2.401 14.741 1.00 0.00 O ATOM 1783 CB PRO A 121 11.583 5.266 14.657 1.00 0.00 C ATOM 1784 CG PRO A 121 11.580 6.133 15.869 1.00 0.00 C ATOM 1785 CD PRO A 121 10.215 6.760 15.927 1.00 0.00 C ATOM 0 HA PRO A 121 9.811 4.603 13.517 1.00 0.00 H new ATOM 0 HB2 PRO A 121 12.291 4.443 14.760 1.00 0.00 H new ATOM 0 HB3 PRO A 121 11.874 5.827 13.769 1.00 0.00 H new ATOM 0 HG2 PRO A 121 11.779 5.549 16.767 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.357 6.895 15.806 1.00 0.00 H new ATOM 0 HD2 PRO A 121 9.889 6.919 16.955 1.00 0.00 H new ATOM 0 HD3 PRO A 121 10.198 7.732 15.434 1.00 0.00 H new ATOM 1793 N TRP A 122 9.255 3.331 16.295 1.00 0.00 N ATOM 1794 CA TRP A 122 9.048 2.083 17.021 1.00 0.00 C ATOM 1795 C TRP A 122 7.602 1.617 16.902 1.00 0.00 C ATOM 1796 O TRP A 122 7.230 0.576 17.442 1.00 0.00 O ATOM 1797 CB TRP A 122 9.421 2.259 18.494 1.00 0.00 C ATOM 1798 CG TRP A 122 8.604 3.304 19.192 1.00 0.00 C ATOM 1799 CD1 TRP A 122 7.354 3.150 19.720 1.00 0.00 C ATOM 1800 CD2 TRP A 122 8.981 4.664 19.437 1.00 0.00 C ATOM 1801 NE1 TRP A 122 6.931 4.333 20.278 1.00 0.00 N ATOM 1802 CE2 TRP A 122 7.911 5.276 20.118 1.00 0.00 C ATOM 1803 CE3 TRP A 122 10.118 5.423 19.148 1.00 0.00 C ATOM 1804 CZ2 TRP A 122 7.946 6.611 20.512 1.00 0.00 C ATOM 1805 CZ3 TRP A 122 10.152 6.747 19.540 1.00 0.00 C ATOM 1806 CH2 TRP A 122 9.072 7.331 20.217 1.00 0.00 C ATOM 0 H TRP A 122 8.773 4.136 16.694 1.00 0.00 H new ATOM 0 HA TRP A 122 9.692 1.323 16.578 1.00 0.00 H new ATOM 0 HB2 TRP A 122 9.297 1.307 19.009 1.00 0.00 H new ATOM 0 HB3 TRP A 122 10.476 2.525 18.565 1.00 0.00 H new ATOM 0 HD1 TRP A 122 6.782 2.234 19.702 1.00 0.00 H new ATOM 0 HE1 TRP A 122 6.033 4.484 20.737 1.00 0.00 H new ATOM 0 HE3 TRP A 122 10.955 4.982 18.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 122 7.114 7.062 21.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 122 11.026 7.343 19.321 1.00 0.00 H new ATOM 0 HH2 TRP A 122 9.130 8.369 20.511 1.00 0.00 H new ATOM 1817 N GLU A 123 6.790 2.394 16.191 1.00 0.00 N ATOM 1818 CA GLU A 123 5.384 2.058 16.002 1.00 0.00 C ATOM 1819 C GLU A 123 5.058 1.892 14.521 1.00 0.00 C ATOM 1820 O GLU A 123 4.990 2.869 13.776 1.00 0.00 O ATOM 1821 CB GLU A 123 4.492 3.141 16.613 1.00 0.00 C ATOM 1822 CG GLU A 123 4.341 3.026 18.121 1.00 0.00 C ATOM 1823 CD GLU A 123 3.336 4.012 18.683 1.00 0.00 C ATOM 1824 OE1 GLU A 123 3.113 5.061 18.043 1.00 0.00 O ATOM 1825 OE2 GLU A 123 2.774 3.736 19.764 1.00 0.00 O ATOM 0 H GLU A 123 7.082 3.260 15.737 1.00 0.00 H new ATOM 0 HA GLU A 123 5.192 1.111 16.507 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.906 4.120 16.371 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.505 3.090 16.153 1.00 0.00 H new ATOM 0 HG2 GLU A 123 4.031 2.012 18.375 1.00 0.00 H new ATOM 0 HG3 GLU A 123 5.309 3.191 18.593 1.00 0.00 H new ATOM 1832 N ASN A 124 4.859 0.647 14.101 1.00 0.00 N ATOM 1833 CA ASN A 124 4.542 0.352 12.708 1.00 0.00 C ATOM 1834 C ASN A 124 3.062 0.592 12.425 1.00 0.00 C ATOM 1835 O ASN A 124 2.204 0.306 13.260 1.00 0.00 O ATOM 1836 CB ASN A 124 4.907 -1.097 12.376 1.00 0.00 C ATOM 1837 CG ASN A 124 6.294 -1.469 12.865 1.00 0.00 C ATOM 1838 OD1 ASN A 124 7.242 -0.697 12.725 1.00 0.00 O ATOM 1839 ND2 ASN A 124 6.418 -2.659 13.441 1.00 0.00 N ATOM 0 H ASN A 124 4.912 -0.173 14.705 1.00 0.00 H new ATOM 0 HA ASN A 124 5.128 1.021 12.078 1.00 0.00 H new ATOM 0 HB2 ASN A 124 4.174 -1.766 12.827 1.00 0.00 H new ATOM 0 HB3 ASN A 124 4.853 -1.245 11.297 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.327 -2.965 13.788 1.00 0.00 H new ATOM 0 HD22 ASN A 124 5.604 -3.267 13.536 1.00 0.00 H new ATOM 1846 N VAL A 125 2.770 1.119 11.240 1.00 0.00 N ATOM 1847 CA VAL A 125 1.394 1.396 10.845 1.00 0.00 C ATOM 1848 C VAL A 125 1.097 0.835 9.458 1.00 0.00 C ATOM 1849 O VAL A 125 1.628 1.315 8.456 1.00 0.00 O ATOM 1850 CB VAL A 125 1.104 2.909 10.847 1.00 0.00 C ATOM 1851 CG1 VAL A 125 -0.358 3.173 10.519 1.00 0.00 C ATOM 1852 CG2 VAL A 125 1.476 3.520 12.190 1.00 0.00 C ATOM 0 H VAL A 125 3.468 1.363 10.537 1.00 0.00 H new ATOM 0 HA VAL A 125 0.750 0.909 11.577 1.00 0.00 H new ATOM 0 HB VAL A 125 1.715 3.380 10.077 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.544 4.247 10.525 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -0.588 2.770 9.533 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -0.991 2.691 11.264 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.265 4.589 12.174 1.00 0.00 H new ATOM 0 HG22 VAL A 125 0.892 3.046 12.979 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.538 3.363 12.380 1.00 0.00 H new ATOM 1862 N CYS A 126 0.245 -0.182 9.409 1.00 0.00 N ATOM 1863 CA CYS A 126 -0.124 -0.810 8.144 1.00 0.00 C ATOM 1864 C CYS A 126 -1.355 -0.139 7.543 1.00 0.00 C ATOM 1865 O CYS A 126 -2.266 0.270 8.264 1.00 0.00 O ATOM 1866 CB CYS A 126 -0.390 -2.302 8.350 1.00 0.00 C ATOM 1867 SG CYS A 126 -1.324 -3.077 7.010 1.00 0.00 S ATOM 0 H CYS A 126 -0.204 -0.590 10.229 1.00 0.00 H new ATOM 0 HA CYS A 126 0.708 -0.690 7.450 1.00 0.00 H new ATOM 0 HB2 CYS A 126 0.564 -2.818 8.460 1.00 0.00 H new ATOM 0 HB3 CYS A 126 -0.935 -2.437 9.284 1.00 0.00 H new ATOM 0 HG CYS A 126 -0.828 -2.710 5.866 1.00 0.00 H new ATOM 1873 N HIS A 127 -1.375 -0.029 6.219 1.00 0.00 N ATOM 1874 CA HIS A 127 -2.494 0.593 5.520 1.00 0.00 C ATOM 1875 C HIS A 127 -3.183 -0.408 4.598 1.00 0.00 C ATOM 1876 O HIS A 127 -2.545 -1.016 3.738 1.00 0.00 O ATOM 1877 CB HIS A 127 -2.012 1.800 4.714 1.00 0.00 C ATOM 1878 CG HIS A 127 -1.041 2.666 5.455 1.00 0.00 C ATOM 1879 ND1 HIS A 127 0.313 2.675 5.461 1.00 0.00 N flip ATOM 1880 CD2 HIS A 127 -1.433 3.670 6.316 1.00 0.00 C flip ATOM 1881 CE1 HIS A 127 0.710 3.673 6.316 1.00 0.00 C flip ATOM 1882 NE2 HIS A 127 -0.362 4.259 6.818 1.00 0.00 N flip ATOM 0 H HIS A 127 -0.629 -0.362 5.608 1.00 0.00 H new ATOM 0 HA HIS A 127 -3.215 0.928 6.266 1.00 0.00 H new ATOM 0 HB2 HIS A 127 -1.544 1.449 3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 127 -2.874 2.401 4.424 1.00 0.00 H new ATOM 0 HD1 HIS A 127 0.924 2.055 4.929 1.00 0.00 H new ATOM 0 HD2 HIS A 127 -2.455 3.933 6.544 1.00 0.00 H new ATOM 0 HE1 HIS A 127 1.733 3.936 6.542 1.00 0.00 H new ATOM 1891 N LEU A 128 -4.488 -0.574 4.783 1.00 0.00 N ATOM 1892 CA LEU A 128 -5.264 -1.503 3.968 1.00 0.00 C ATOM 1893 C LEU A 128 -5.762 -0.825 2.696 1.00 0.00 C ATOM 1894 O LEU A 128 -6.033 0.376 2.685 1.00 0.00 O ATOM 1895 CB LEU A 128 -6.449 -2.046 4.768 1.00 0.00 C ATOM 1896 CG LEU A 128 -7.030 -3.376 4.287 1.00 0.00 C ATOM 1897 CD1 LEU A 128 -5.983 -4.476 4.365 1.00 0.00 C ATOM 1898 CD2 LEU A 128 -8.259 -3.748 5.104 1.00 0.00 C ATOM 0 H LEU A 128 -5.031 -0.078 5.490 1.00 0.00 H new ATOM 0 HA LEU A 128 -4.614 -2.331 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.138 -2.162 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.243 -1.300 4.755 1.00 0.00 H new ATOM 0 HG LEU A 128 -7.331 -3.263 3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -6.415 -5.415 4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -5.132 -4.214 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.650 -4.589 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -8.659 -4.697 4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -7.983 -3.842 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.016 -2.972 4.996 1.00 0.00 H new ATOM 1910 N PHE A 129 -5.882 -1.603 1.625 1.00 0.00 N ATOM 1911 CA PHE A 129 -6.350 -1.078 0.347 1.00 0.00 C ATOM 1912 C PHE A 129 -6.976 -2.183 -0.498 1.00 0.00 C ATOM 1913 O PHE A 129 -6.857 -3.366 -0.180 1.00 0.00 O ATOM 1914 CB PHE A 129 -5.192 -0.431 -0.416 1.00 0.00 C ATOM 1915 CG PHE A 129 -4.866 0.958 0.054 1.00 0.00 C ATOM 1916 CD1 PHE A 129 -4.064 1.156 1.167 1.00 0.00 C ATOM 1917 CD2 PHE A 129 -5.361 2.065 -0.616 1.00 0.00 C ATOM 1918 CE1 PHE A 129 -3.763 2.433 1.602 1.00 0.00 C ATOM 1919 CE2 PHE A 129 -5.063 3.344 -0.186 1.00 0.00 C ATOM 1920 CZ PHE A 129 -4.262 3.528 0.924 1.00 0.00 C ATOM 0 H PHE A 129 -5.662 -2.599 1.617 1.00 0.00 H new ATOM 0 HA PHE A 129 -7.111 -0.324 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -4.306 -1.057 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -5.440 -0.398 -1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -3.670 0.303 1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -5.987 1.927 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -3.138 2.574 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -5.456 4.198 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 129 -4.026 4.527 1.261 1.00 0.00 H new ATOM 1930 N ALA A 130 -7.645 -1.788 -1.576 1.00 0.00 N ATOM 1931 CA ALA A 130 -8.290 -2.743 -2.468 1.00 0.00 C ATOM 1932 C ALA A 130 -8.153 -2.313 -3.925 1.00 0.00 C ATOM 1933 O ALA A 130 -8.081 -1.122 -4.225 1.00 0.00 O ATOM 1934 CB ALA A 130 -9.757 -2.904 -2.098 1.00 0.00 C ATOM 0 H ALA A 130 -7.754 -0.812 -1.853 1.00 0.00 H new ATOM 0 HA ALA A 130 -7.790 -3.705 -2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -10.226 -3.620 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -9.836 -3.266 -1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -10.261 -1.942 -2.183 1.00 0.00 H new ATOM 1940 N GLU A 131 -8.118 -3.291 -4.825 1.00 0.00 N ATOM 1941 CA GLU A 131 -7.988 -3.011 -6.250 1.00 0.00 C ATOM 1942 C GLU A 131 -9.156 -2.165 -6.747 1.00 0.00 C ATOM 1943 O GLU A 131 -10.301 -2.618 -6.769 1.00 0.00 O ATOM 1944 CB GLU A 131 -7.916 -4.317 -7.044 1.00 0.00 C ATOM 1945 CG GLU A 131 -9.057 -5.275 -6.744 1.00 0.00 C ATOM 1946 CD GLU A 131 -10.254 -5.060 -7.650 1.00 0.00 C ATOM 1947 OE1 GLU A 131 -10.074 -4.480 -8.742 1.00 0.00 O ATOM 1948 OE2 GLU A 131 -11.369 -5.470 -7.268 1.00 0.00 O ATOM 0 H GLU A 131 -8.178 -4.282 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 131 -7.066 -2.450 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -7.918 -4.085 -8.109 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -6.970 -4.813 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.703 -6.300 -6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.365 -5.153 -5.706 1.00 0.00 H new ATOM 1955 N LEU A 132 -8.859 -0.932 -7.144 1.00 0.00 N ATOM 1956 CA LEU A 132 -9.884 -0.021 -7.641 1.00 0.00 C ATOM 1957 C LEU A 132 -10.143 -0.249 -9.127 1.00 0.00 C ATOM 1958 O LEU A 132 -11.291 -0.344 -9.560 1.00 0.00 O ATOM 1959 CB LEU A 132 -9.463 1.430 -7.402 1.00 0.00 C ATOM 1960 CG LEU A 132 -10.500 2.497 -7.755 1.00 0.00 C ATOM 1961 CD1 LEU A 132 -10.236 3.777 -6.976 1.00 0.00 C ATOM 1962 CD2 LEU A 132 -10.495 2.771 -9.252 1.00 0.00 C ATOM 0 H LEU A 132 -7.917 -0.541 -7.131 1.00 0.00 H new ATOM 0 HA LEU A 132 -10.807 -0.220 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -9.199 1.542 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -8.559 1.625 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 132 -11.486 2.124 -7.477 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -10.984 4.525 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -10.291 3.570 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -9.243 4.154 -7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -11.239 3.533 -9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -9.509 3.123 -9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -10.734 1.854 -9.791 1.00 0.00 H new ATOM 1974 N ASP A 133 -9.067 -0.338 -9.902 1.00 0.00 N ATOM 1975 CA ASP A 133 -9.177 -0.559 -11.339 1.00 0.00 C ATOM 1976 C ASP A 133 -9.060 -2.043 -11.671 1.00 0.00 C ATOM 1977 O ASP A 133 -8.251 -2.771 -11.095 1.00 0.00 O ATOM 1978 CB ASP A 133 -8.098 0.230 -12.082 1.00 0.00 C ATOM 1979 CG ASP A 133 -8.436 1.703 -12.201 1.00 0.00 C ATOM 1980 OD1 ASP A 133 -8.060 2.473 -11.293 1.00 0.00 O ATOM 1981 OD2 ASP A 133 -9.076 2.085 -13.203 1.00 0.00 O ATOM 0 H ASP A 133 -8.110 -0.260 -9.559 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.158 -0.210 -11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -7.147 0.119 -11.560 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -7.966 -0.191 -13.079 1.00 0.00 H new ATOM 1986 N PRO A 134 -9.886 -2.505 -12.622 1.00 0.00 N ATOM 1987 CA PRO A 134 -9.894 -3.906 -13.052 1.00 0.00 C ATOM 1988 C PRO A 134 -8.635 -4.282 -13.826 1.00 0.00 C ATOM 1989 O PRO A 134 -7.979 -5.277 -13.517 1.00 0.00 O ATOM 1990 CB PRO A 134 -11.124 -3.992 -13.959 1.00 0.00 C ATOM 1991 CG PRO A 134 -11.322 -2.604 -14.461 1.00 0.00 C ATOM 1992 CD PRO A 134 -10.875 -1.693 -13.351 1.00 0.00 C ATOM 0 HA PRO A 134 -9.923 -4.592 -12.205 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -10.962 -4.691 -14.780 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -11.998 -4.343 -13.409 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -10.740 -2.430 -15.366 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -12.367 -2.426 -14.714 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -10.434 -0.774 -13.738 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -11.707 -1.402 -12.710 1.00 0.00 H new ATOM 2000 N ASP A 135 -8.302 -3.480 -14.832 1.00 0.00 N ATOM 2001 CA ASP A 135 -7.120 -3.729 -15.649 1.00 0.00 C ATOM 2002 C ASP A 135 -5.884 -3.912 -14.774 1.00 0.00 C ATOM 2003 O ASP A 135 -5.010 -4.723 -15.081 1.00 0.00 O ATOM 2004 CB ASP A 135 -6.901 -2.576 -16.629 1.00 0.00 C ATOM 2005 CG ASP A 135 -8.121 -2.305 -17.488 1.00 0.00 C ATOM 2006 OD1 ASP A 135 -8.538 -3.219 -18.231 1.00 0.00 O ATOM 2007 OD2 ASP A 135 -8.659 -1.181 -17.416 1.00 0.00 O ATOM 0 H ASP A 135 -8.834 -2.652 -15.101 1.00 0.00 H new ATOM 0 HA ASP A 135 -7.283 -4.648 -16.212 1.00 0.00 H new ATOM 0 HB2 ASP A 135 -6.645 -1.674 -16.073 1.00 0.00 H new ATOM 0 HB3 ASP A 135 -6.052 -2.806 -17.272 1.00 0.00 H new ATOM 2012 N GLN A 136 -5.818 -3.152 -13.686 1.00 0.00 N ATOM 2013 CA GLN A 136 -4.687 -3.230 -12.768 1.00 0.00 C ATOM 2014 C GLN A 136 -5.121 -3.780 -11.414 1.00 0.00 C ATOM 2015 O GLN A 136 -5.614 -3.054 -10.551 1.00 0.00 O ATOM 2016 CB GLN A 136 -4.051 -1.850 -12.591 1.00 0.00 C ATOM 2017 CG GLN A 136 -5.045 -0.767 -12.207 1.00 0.00 C ATOM 2018 CD GLN A 136 -4.454 0.626 -12.296 1.00 0.00 C ATOM 2019 OE1 GLN A 136 -3.192 0.760 -11.904 1.00 0.00 O flip ATOM 2020 NE2 GLN A 136 -5.123 1.572 -12.713 1.00 0.00 N flip ATOM 0 H GLN A 136 -6.533 -2.476 -13.418 1.00 0.00 H new ATOM 0 HA GLN A 136 -3.951 -3.910 -13.196 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -3.278 -1.911 -11.824 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -3.557 -1.565 -13.520 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -5.916 -0.830 -12.860 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -5.395 -0.945 -11.190 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -6.089 1.424 -13.004 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -4.711 2.503 -12.768 1.00 0.00 H new ATOM 2029 N PRO A 137 -4.936 -5.095 -11.222 1.00 0.00 N ATOM 2030 CA PRO A 137 -5.302 -5.772 -9.974 1.00 0.00 C ATOM 2031 C PRO A 137 -4.398 -5.374 -8.812 1.00 0.00 C ATOM 2032 O PRO A 137 -3.308 -4.841 -9.016 1.00 0.00 O ATOM 2033 CB PRO A 137 -5.123 -7.254 -10.309 1.00 0.00 C ATOM 2034 CG PRO A 137 -4.120 -7.275 -11.411 1.00 0.00 C ATOM 2035 CD PRO A 137 -4.354 -6.021 -12.207 1.00 0.00 C ATOM 0 HA PRO A 137 -6.310 -5.514 -9.650 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -4.772 -7.816 -9.443 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -6.064 -7.706 -10.622 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -3.105 -7.302 -11.015 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -4.243 -8.161 -12.034 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -3.426 -5.631 -12.625 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -5.031 -6.196 -13.043 1.00 0.00 H new ATOM 2043 N ALA A 138 -4.858 -5.638 -7.594 1.00 0.00 N ATOM 2044 CA ALA A 138 -4.089 -5.311 -6.399 1.00 0.00 C ATOM 2045 C ALA A 138 -2.635 -5.744 -6.547 1.00 0.00 C ATOM 2046 O ALA A 138 -1.716 -4.968 -6.285 1.00 0.00 O ATOM 2047 CB ALA A 138 -4.714 -5.962 -5.174 1.00 0.00 C ATOM 0 H ALA A 138 -5.760 -6.077 -7.408 1.00 0.00 H new ATOM 0 HA ALA A 138 -4.107 -4.229 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 138 -4.129 -5.709 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -5.735 -5.600 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -4.726 -7.044 -5.304 1.00 0.00 H new ATOM 2053 N GLY A 139 -2.432 -6.989 -6.967 1.00 0.00 N ATOM 2054 CA GLY A 139 -1.087 -7.503 -7.141 1.00 0.00 C ATOM 2055 C GLY A 139 -0.211 -6.573 -7.956 1.00 0.00 C ATOM 2056 O GLY A 139 0.857 -6.160 -7.504 1.00 0.00 O ATOM 0 H GLY A 139 -3.176 -7.651 -7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 139 -0.632 -7.661 -6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 139 -1.134 -8.475 -7.631 1.00 0.00 H new ATOM 2060 N ALA A 140 -0.662 -6.243 -9.162 1.00 0.00 N ATOM 2061 CA ALA A 140 0.088 -5.355 -10.042 1.00 0.00 C ATOM 2062 C ALA A 140 0.664 -4.174 -9.268 1.00 0.00 C ATOM 2063 O ALA A 140 1.664 -3.582 -9.675 1.00 0.00 O ATOM 2064 CB ALA A 140 -0.799 -4.863 -11.176 1.00 0.00 C ATOM 0 H ALA A 140 -1.543 -6.577 -9.552 1.00 0.00 H new ATOM 0 HA ALA A 140 0.919 -5.919 -10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.226 -4.201 -11.825 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -1.158 -5.715 -11.753 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.649 -4.320 -10.763 1.00 0.00 H new ATOM 2070 N ILE A 141 0.027 -3.836 -8.152 1.00 0.00 N ATOM 2071 CA ILE A 141 0.478 -2.726 -7.321 1.00 0.00 C ATOM 2072 C ILE A 141 1.629 -3.149 -6.415 1.00 0.00 C ATOM 2073 O ILE A 141 2.773 -2.743 -6.616 1.00 0.00 O ATOM 2074 CB ILE A 141 -0.667 -2.171 -6.454 1.00 0.00 C ATOM 2075 CG1 ILE A 141 -1.848 -1.757 -7.333 1.00 0.00 C ATOM 2076 CG2 ILE A 141 -0.179 -0.994 -5.623 1.00 0.00 C ATOM 2077 CD1 ILE A 141 -3.178 -1.787 -6.613 1.00 0.00 C ATOM 0 H ILE A 141 -0.803 -4.315 -7.802 1.00 0.00 H new ATOM 0 HA ILE A 141 0.822 -1.944 -7.998 1.00 0.00 H new ATOM 0 HB ILE A 141 -1.002 -2.955 -5.776 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -1.672 -0.750 -7.713 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -1.897 -2.420 -8.197 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -1.000 -0.612 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 141 0.633 -1.319 -4.973 1.00 0.00 H new ATOM 0 HG23 ILE A 141 0.180 -0.205 -6.285 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -3.969 -1.482 -7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -3.376 -2.798 -6.257 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.148 -1.103 -5.765 1.00 0.00 H new ATOM 2089 N VAL A 142 1.318 -3.970 -5.416 1.00 0.00 N ATOM 2090 CA VAL A 142 2.326 -4.451 -4.480 1.00 0.00 C ATOM 2091 C VAL A 142 3.581 -4.913 -5.213 1.00 0.00 C ATOM 2092 O VAL A 142 4.701 -4.599 -4.809 1.00 0.00 O ATOM 2093 CB VAL A 142 1.788 -5.613 -3.624 1.00 0.00 C ATOM 2094 CG1 VAL A 142 0.756 -5.108 -2.627 1.00 0.00 C ATOM 2095 CG2 VAL A 142 1.198 -6.699 -4.511 1.00 0.00 C ATOM 0 H VAL A 142 0.376 -4.315 -5.235 1.00 0.00 H new ATOM 0 HA VAL A 142 2.577 -3.615 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 142 2.618 -6.044 -3.064 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.387 -5.943 -2.031 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.215 -4.369 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -0.075 -4.650 -3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.823 -7.512 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.379 -6.284 -5.099 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.969 -7.080 -5.181 1.00 0.00 H new ATOM 2105 N THR A 143 3.386 -5.661 -6.295 1.00 0.00 N ATOM 2106 CA THR A 143 4.501 -6.168 -7.085 1.00 0.00 C ATOM 2107 C THR A 143 5.471 -5.049 -7.447 1.00 0.00 C ATOM 2108 O THR A 143 6.672 -5.149 -7.195 1.00 0.00 O ATOM 2109 CB THR A 143 4.011 -6.846 -8.378 1.00 0.00 C ATOM 2110 OG1 THR A 143 3.055 -7.864 -8.065 1.00 0.00 O ATOM 2111 CG2 THR A 143 5.176 -7.454 -9.144 1.00 0.00 C ATOM 0 H THR A 143 2.466 -5.929 -6.644 1.00 0.00 H new ATOM 0 HA THR A 143 5.015 -6.906 -6.469 1.00 0.00 H new ATOM 0 HB THR A 143 3.541 -6.088 -9.005 1.00 0.00 H new ATOM 0 HG1 THR A 143 2.189 -7.450 -7.866 1.00 0.00 H new ATOM 0 HG21 THR A 143 4.806 -7.927 -10.053 1.00 0.00 H new ATOM 0 HG22 THR A 143 5.887 -6.671 -9.406 1.00 0.00 H new ATOM 0 HG23 THR A 143 5.671 -8.200 -8.522 1.00 0.00 H new ATOM 2119 N PHE A 144 4.943 -3.983 -8.039 1.00 0.00 N ATOM 2120 CA PHE A 144 5.763 -2.844 -8.436 1.00 0.00 C ATOM 2121 C PHE A 144 6.484 -2.246 -7.231 1.00 0.00 C ATOM 2122 O PHE A 144 7.667 -1.913 -7.305 1.00 0.00 O ATOM 2123 CB PHE A 144 4.898 -1.776 -9.109 1.00 0.00 C ATOM 2124 CG PHE A 144 5.692 -0.641 -9.691 1.00 0.00 C ATOM 2125 CD1 PHE A 144 6.402 -0.808 -10.869 1.00 0.00 C ATOM 2126 CD2 PHE A 144 5.728 0.592 -9.060 1.00 0.00 C ATOM 2127 CE1 PHE A 144 7.133 0.234 -11.406 1.00 0.00 C ATOM 2128 CE2 PHE A 144 6.458 1.638 -9.593 1.00 0.00 C ATOM 2129 CZ PHE A 144 7.160 1.459 -10.768 1.00 0.00 C ATOM 0 H PHE A 144 3.951 -3.884 -8.255 1.00 0.00 H new ATOM 0 HA PHE A 144 6.511 -3.197 -9.146 1.00 0.00 H new ATOM 0 HB2 PHE A 144 4.310 -2.241 -9.900 1.00 0.00 H new ATOM 0 HB3 PHE A 144 4.192 -1.379 -8.380 1.00 0.00 H new ATOM 0 HD1 PHE A 144 6.384 -1.763 -11.373 1.00 0.00 H new ATOM 0 HD2 PHE A 144 5.179 0.738 -8.141 1.00 0.00 H new ATOM 0 HE1 PHE A 144 7.683 0.091 -12.324 1.00 0.00 H new ATOM 0 HE2 PHE A 144 6.479 2.594 -9.091 1.00 0.00 H new ATOM 0 HZ PHE A 144 7.729 2.275 -11.188 1.00 0.00 H new ATOM 2139 N ILE A 145 5.762 -2.113 -6.124 1.00 0.00 N ATOM 2140 CA ILE A 145 6.332 -1.556 -4.903 1.00 0.00 C ATOM 2141 C ILE A 145 7.624 -2.272 -4.524 1.00 0.00 C ATOM 2142 O ILE A 145 8.718 -1.728 -4.681 1.00 0.00 O ATOM 2143 CB ILE A 145 5.343 -1.649 -3.727 1.00 0.00 C ATOM 2144 CG1 ILE A 145 4.104 -0.796 -4.006 1.00 0.00 C ATOM 2145 CG2 ILE A 145 6.014 -1.209 -2.434 1.00 0.00 C ATOM 2146 CD1 ILE A 145 2.934 -1.114 -3.100 1.00 0.00 C ATOM 0 H ILE A 145 4.781 -2.383 -6.047 1.00 0.00 H new ATOM 0 HA ILE A 145 6.546 -0.506 -5.104 1.00 0.00 H new ATOM 0 HB ILE A 145 5.030 -2.687 -3.616 1.00 0.00 H new ATOM 0 HG12 ILE A 145 4.365 0.256 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE A 145 3.800 -0.940 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 145 5.302 -1.280 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 145 6.869 -1.853 -2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 145 6.352 -0.178 -2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 145 2.091 -0.471 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 145 2.647 -2.157 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 145 3.220 -0.943 -2.062 1.00 0.00 H new ATOM 2158 N THR A 146 7.491 -3.497 -4.025 1.00 0.00 N ATOM 2159 CA THR A 146 8.647 -4.289 -3.623 1.00 0.00 C ATOM 2160 C THR A 146 9.713 -4.296 -4.713 1.00 0.00 C ATOM 2161 O THR A 146 10.907 -4.199 -4.428 1.00 0.00 O ATOM 2162 CB THR A 146 8.249 -5.741 -3.300 1.00 0.00 C ATOM 2163 OG1 THR A 146 7.812 -6.405 -4.491 1.00 0.00 O ATOM 2164 CG2 THR A 146 7.142 -5.779 -2.257 1.00 0.00 C ATOM 0 H THR A 146 6.594 -3.962 -3.890 1.00 0.00 H new ATOM 0 HA THR A 146 9.052 -3.824 -2.724 1.00 0.00 H new ATOM 0 HB THR A 146 9.123 -6.254 -2.898 1.00 0.00 H new ATOM 0 HG1 THR A 146 7.562 -7.328 -4.278 1.00 0.00 H new ATOM 0 HG21 THR A 146 6.877 -6.815 -2.045 1.00 0.00 H new ATOM 0 HG22 THR A 146 7.488 -5.298 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 146 6.267 -5.251 -2.636 1.00 0.00 H new ATOM 2172 N LYS A 147 9.275 -4.412 -5.962 1.00 0.00 N ATOM 2173 CA LYS A 147 10.191 -4.431 -7.096 1.00 0.00 C ATOM 2174 C LYS A 147 11.114 -3.217 -7.070 1.00 0.00 C ATOM 2175 O LYS A 147 12.308 -3.326 -7.349 1.00 0.00 O ATOM 2176 CB LYS A 147 9.408 -4.462 -8.410 1.00 0.00 C ATOM 2177 CG LYS A 147 8.795 -5.816 -8.721 1.00 0.00 C ATOM 2178 CD LYS A 147 9.744 -6.686 -9.528 1.00 0.00 C ATOM 2179 CE LYS A 147 10.633 -7.526 -8.624 1.00 0.00 C ATOM 2180 NZ LYS A 147 11.353 -8.586 -9.384 1.00 0.00 N ATOM 0 H LYS A 147 8.290 -4.494 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 147 10.801 -5.331 -7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 147 8.616 -3.715 -8.369 1.00 0.00 H new ATOM 0 HB3 LYS A 147 10.072 -4.177 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 147 8.538 -6.322 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 147 7.867 -5.677 -9.275 1.00 0.00 H new ATOM 0 HD2 LYS A 147 9.170 -7.339 -10.185 1.00 0.00 H new ATOM 0 HD3 LYS A 147 10.364 -6.056 -10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 147 11.357 -6.881 -8.126 1.00 0.00 H new ATOM 0 HE3 LYS A 147 10.026 -7.987 -7.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 147 11.948 -9.137 -8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 147 10.663 -9.217 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 147 11.952 -8.146 -10.112 1.00 0.00 H new ATOM 2194 N VAL A 148 10.553 -2.060 -6.731 1.00 0.00 N ATOM 2195 CA VAL A 148 11.326 -0.826 -6.666 1.00 0.00 C ATOM 2196 C VAL A 148 11.822 -0.562 -5.248 1.00 0.00 C ATOM 2197 O VAL A 148 13.027 -0.529 -4.996 1.00 0.00 O ATOM 2198 CB VAL A 148 10.497 0.382 -7.141 1.00 0.00 C ATOM 2199 CG1 VAL A 148 11.285 1.672 -6.970 1.00 0.00 C ATOM 2200 CG2 VAL A 148 10.068 0.197 -8.589 1.00 0.00 C ATOM 0 H VAL A 148 9.566 -1.952 -6.497 1.00 0.00 H new ATOM 0 HA VAL A 148 12.181 -0.953 -7.330 1.00 0.00 H new ATOM 0 HB VAL A 148 9.600 0.449 -6.526 1.00 0.00 H new ATOM 0 HG11 VAL A 148 10.683 2.514 -7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 148 11.536 1.808 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 148 12.201 1.619 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 148 9.483 1.060 -8.908 1.00 0.00 H new ATOM 0 HG22 VAL A 148 10.951 0.103 -9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 148 9.462 -0.705 -8.677 1.00 0.00 H new ATOM 2210 N LEU A 149 10.885 -0.374 -4.325 1.00 0.00 N ATOM 2211 CA LEU A 149 11.226 -0.114 -2.931 1.00 0.00 C ATOM 2212 C LEU A 149 12.263 -1.113 -2.428 1.00 0.00 C ATOM 2213 O LEU A 149 13.414 -0.754 -2.175 1.00 0.00 O ATOM 2214 CB LEU A 149 9.972 -0.181 -2.058 1.00 0.00 C ATOM 2215 CG LEU A 149 9.056 1.043 -2.104 1.00 0.00 C ATOM 2216 CD1 LEU A 149 9.715 2.229 -1.416 1.00 0.00 C ATOM 2217 CD2 LEU A 149 8.699 1.389 -3.542 1.00 0.00 C ATOM 0 H LEU A 149 9.883 -0.397 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 149 11.653 0.887 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 149 9.393 -1.055 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 149 10.281 -0.340 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 149 8.136 0.804 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 149 9.049 3.091 -1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 149 9.918 1.979 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 149 10.651 2.469 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 149 8.047 2.262 -3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 149 9.609 1.608 -4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 149 8.185 0.545 -4.002 1.00 0.00 H new ATOM 2229 N LEU A 150 11.850 -2.367 -2.288 1.00 0.00 N ATOM 2230 CA LEU A 150 12.744 -3.419 -1.817 1.00 0.00 C ATOM 2231 C LEU A 150 13.849 -3.689 -2.833 1.00 0.00 C ATOM 2232 O LEU A 150 14.992 -3.959 -2.465 1.00 0.00 O ATOM 2233 CB LEU A 150 11.956 -4.704 -1.551 1.00 0.00 C ATOM 2234 CG LEU A 150 11.209 -4.769 -0.218 1.00 0.00 C ATOM 2235 CD1 LEU A 150 9.889 -4.020 -0.309 1.00 0.00 C ATOM 2236 CD2 LEU A 150 10.978 -6.216 0.193 1.00 0.00 C ATOM 0 H LEU A 150 10.902 -2.681 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 150 13.204 -3.082 -0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 150 11.234 -4.837 -2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 150 12.646 -5.546 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 150 11.822 -4.289 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 150 9.371 -4.077 0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 150 10.080 -2.976 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 150 9.268 -4.469 -1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 150 10.445 -6.244 1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 150 10.385 -6.721 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 150 11.938 -6.721 0.300 1.00 0.00 H new