USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 575 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 80 THR OG1 : rot -100:sc= -1.92! USER MOD Set 1.2: A 97 LYS NZ :NH3+ 170:sc= -1.25 (180deg=-1.6!) USER MOD Set 2.1: A 61 SER OG : rot -70:sc= -0.428 USER MOD Set 2.2: A 63 CYS SG : rot 158:sc= 0.0531 USER MOD Set 2.3: A 68 ASN : amide:sc= -1.4 K(o=-2.7,f=-5.2!) USER MOD Set 2.4: A 93 TYR OH : rot -172:sc= -0.914 USER MOD Single : A 6 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.39) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.512 X(o=-0.51,f=-0.75) USER MOD Single : A 10 HIS : no HD1:sc=-0.00854 X(o=-0.0085,f=-0.055) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0538 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -50:sc= -0.427 USER MOD Single : A 48 MET CE :methyl -149:sc= -0.0644 (180deg=-0.299) USER MOD Single : A 50 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.881 X(o=-0.88,f=-0.56) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=-0.43) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.372 K(o=-0.37,f=-3.2!) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.665 X(o=-0.66,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 20.891 38.380 -3.410 1.00 0.00 N ATOM 67 CA HIS A 6 20.383 38.053 -4.737 1.00 0.00 C ATOM 68 C HIS A 6 18.887 38.337 -4.835 1.00 0.00 C ATOM 69 O HIS A 6 18.074 37.415 -4.915 1.00 0.00 O ATOM 70 CB HIS A 6 20.660 36.584 -5.065 1.00 0.00 C ATOM 71 CG HIS A 6 21.786 36.387 -6.031 1.00 0.00 C ATOM 72 ND1 HIS A 6 21.902 37.157 -7.163 1.00 0.00 N ATOM 73 CD2 HIS A 6 22.812 35.501 -5.989 1.00 0.00 C ATOM 74 CE1 HIS A 6 22.988 36.728 -7.783 1.00 0.00 C ATOM 75 NE2 HIS A 6 23.571 35.727 -7.108 1.00 0.00 N ATOM 0 HA HIS A 6 20.900 38.683 -5.461 1.00 0.00 H new ATOM 0 HB2 HIS A 6 20.887 36.051 -4.142 1.00 0.00 H new ATOM 0 HB3 HIS A 6 19.756 36.136 -5.478 1.00 0.00 H new ATOM 0 HD2 HIS A 6 22.995 34.762 -5.223 1.00 0.00 H new ATOM 0 HE1 HIS A 6 23.358 37.132 -8.714 1.00 0.00 H new ATOM 0 HE2 HIS A 6 24.419 35.228 -7.376 1.00 0.00 H new ATOM 83 N HIS A 7 18.532 39.617 -4.829 1.00 0.00 N ATOM 84 CA HIS A 7 17.135 40.024 -4.923 1.00 0.00 C ATOM 85 C HIS A 7 16.772 40.386 -6.359 1.00 0.00 C ATOM 86 O HIS A 7 16.910 41.537 -6.773 1.00 0.00 O ATOM 87 CB HIS A 7 16.863 41.213 -4.000 1.00 0.00 C ATOM 88 CG HIS A 7 16.087 40.852 -2.771 1.00 0.00 C ATOM 89 ND1 HIS A 7 14.750 41.149 -2.653 1.00 0.00 N ATOM 90 CD2 HIS A 7 16.502 40.225 -1.643 1.00 0.00 C ATOM 91 CE1 HIS A 7 14.382 40.700 -1.467 1.00 0.00 C ATOM 92 NE2 HIS A 7 15.410 40.132 -0.819 1.00 0.00 N ATOM 0 H HIS A 7 19.193 40.391 -4.760 1.00 0.00 H new ATOM 0 HA HIS A 7 16.516 39.184 -4.610 1.00 0.00 H new ATOM 0 HB2 HIS A 7 17.813 41.656 -3.702 1.00 0.00 H new ATOM 0 HB3 HIS A 7 16.316 41.975 -4.555 1.00 0.00 H new ATOM 0 HD2 HIS A 7 17.500 39.868 -1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 7 13.381 40.780 -1.069 1.00 0.00 H new ATOM 0 HE2 HIS A 7 15.384 39.711 0.110 1.00 0.00 H new ATOM 100 N HIS A 8 16.314 39.393 -7.116 1.00 0.00 N ATOM 101 CA HIS A 8 15.939 39.605 -8.508 1.00 0.00 C ATOM 102 C HIS A 8 14.509 40.135 -8.614 1.00 0.00 C ATOM 103 O HIS A 8 14.271 41.332 -8.458 1.00 0.00 O ATOM 104 CB HIS A 8 16.085 38.303 -9.301 1.00 0.00 C ATOM 105 CG HIS A 8 17.230 38.313 -10.265 1.00 0.00 C ATOM 106 ND1 HIS A 8 18.529 38.189 -9.836 1.00 0.00 N ATOM 107 CD2 HIS A 8 17.218 38.434 -11.616 1.00 0.00 C ATOM 108 CE1 HIS A 8 19.276 38.235 -10.925 1.00 0.00 C ATOM 109 NE2 HIS A 8 18.525 38.383 -12.025 1.00 0.00 N ATOM 0 H HIS A 8 16.194 38.435 -6.788 1.00 0.00 H new ATOM 0 HA HIS A 8 16.610 40.352 -8.932 1.00 0.00 H new ATOM 0 HB2 HIS A 8 16.215 37.475 -8.604 1.00 0.00 H new ATOM 0 HB3 HIS A 8 15.161 38.116 -9.849 1.00 0.00 H new ATOM 0 HD2 HIS A 8 16.348 38.548 -12.246 1.00 0.00 H new ATOM 0 HE1 HIS A 8 20.354 38.163 -10.928 1.00 0.00 H new ATOM 0 HE2 HIS A 8 18.863 38.446 -12.985 1.00 0.00 H new ATOM 117 N HIS A 9 13.561 39.241 -8.888 1.00 0.00 N ATOM 118 CA HIS A 9 12.161 39.628 -9.015 1.00 0.00 C ATOM 119 C HIS A 9 11.246 38.585 -8.382 1.00 0.00 C ATOM 120 O HIS A 9 11.697 37.724 -7.626 1.00 0.00 O ATOM 121 CB HIS A 9 11.796 39.816 -10.489 1.00 0.00 C ATOM 122 CG HIS A 9 11.588 41.248 -10.877 1.00 0.00 C ATOM 123 ND1 HIS A 9 11.249 42.201 -9.947 1.00 0.00 N ATOM 124 CD2 HIS A 9 11.682 41.832 -12.096 1.00 0.00 C ATOM 125 CE1 HIS A 9 11.144 43.337 -10.613 1.00 0.00 C ATOM 126 NE2 HIS A 9 11.398 43.162 -11.918 1.00 0.00 N ATOM 0 H HIS A 9 13.738 38.246 -9.026 1.00 0.00 H new ATOM 0 HA HIS A 9 12.022 40.572 -8.488 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.587 39.392 -11.108 1.00 0.00 H new ATOM 0 HB3 HIS A 9 10.887 39.254 -10.704 1.00 0.00 H new ATOM 0 HD2 HIS A 9 11.932 41.345 -13.027 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.887 44.285 -10.164 1.00 0.00 H new ATOM 0 HE2 HIS A 9 11.383 43.881 -12.641 1.00 0.00 H new ATOM 134 N HIS A 10 9.957 38.667 -8.701 1.00 0.00 N ATOM 135 CA HIS A 10 8.974 37.730 -8.171 1.00 0.00 C ATOM 136 C HIS A 10 8.649 36.647 -9.195 1.00 0.00 C ATOM 137 O HIS A 10 8.681 36.891 -10.401 1.00 0.00 O ATOM 138 CB HIS A 10 7.695 38.473 -7.776 1.00 0.00 C ATOM 139 CG HIS A 10 6.737 37.640 -6.983 1.00 0.00 C ATOM 140 ND1 HIS A 10 7.095 37.084 -5.778 1.00 0.00 N ATOM 141 CD2 HIS A 10 5.454 37.301 -7.263 1.00 0.00 C ATOM 142 CE1 HIS A 10 6.032 36.424 -5.353 1.00 0.00 C ATOM 143 NE2 HIS A 10 5.015 36.529 -6.220 1.00 0.00 N ATOM 0 H HIS A 10 9.570 39.375 -9.325 1.00 0.00 H new ATOM 0 HA HIS A 10 9.400 37.254 -7.287 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.963 39.356 -7.195 1.00 0.00 H new ATOM 0 HB3 HIS A 10 7.196 38.825 -8.679 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.888 37.585 -8.138 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.988 35.871 -4.426 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.089 36.113 -6.122 1.00 0.00 H new ATOM 151 N SER A 11 8.337 35.451 -8.706 1.00 0.00 N ATOM 152 CA SER A 11 8.005 34.330 -9.578 1.00 0.00 C ATOM 153 C SER A 11 6.542 34.391 -10.007 1.00 0.00 C ATOM 154 O SER A 11 5.640 34.371 -9.171 1.00 0.00 O ATOM 155 CB SER A 11 8.284 33.004 -8.868 1.00 0.00 C ATOM 156 OG SER A 11 8.008 33.099 -7.482 1.00 0.00 O ATOM 0 H SER A 11 8.307 35.233 -7.710 1.00 0.00 H new ATOM 0 HA SER A 11 8.631 34.396 -10.468 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.674 32.216 -9.310 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.326 32.721 -9.016 1.00 0.00 H new ATOM 0 HG SER A 11 8.193 32.238 -7.052 1.00 0.00 H new ATOM 162 N SER A 12 6.317 34.468 -11.315 1.00 0.00 N ATOM 163 CA SER A 12 4.962 34.534 -11.854 1.00 0.00 C ATOM 164 C SER A 12 4.636 33.287 -12.670 1.00 0.00 C ATOM 165 O SER A 12 3.993 33.368 -13.716 1.00 0.00 O ATOM 166 CB SER A 12 4.799 35.784 -12.723 1.00 0.00 C ATOM 167 OG SER A 12 3.568 36.433 -12.456 1.00 0.00 O ATOM 0 H SER A 12 7.054 34.486 -12.020 1.00 0.00 H new ATOM 0 HA SER A 12 4.267 34.587 -11.016 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.624 36.471 -12.536 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.847 35.507 -13.776 1.00 0.00 H new ATOM 0 HG SER A 12 3.488 37.229 -13.022 1.00 0.00 H new ATOM 173 N GLY A 13 5.082 32.133 -12.180 1.00 0.00 N ATOM 174 CA GLY A 13 4.826 30.885 -12.876 1.00 0.00 C ATOM 175 C GLY A 13 3.349 30.548 -12.939 1.00 0.00 C ATOM 176 O GLY A 13 2.552 31.073 -12.161 1.00 0.00 O ATOM 0 H GLY A 13 5.615 32.041 -11.315 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.224 30.949 -13.889 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.359 30.077 -12.374 1.00 0.00 H new ATOM 390 N ASP A 27 1.012 3.281 -4.749 1.00 0.00 N ATOM 391 CA ASP A 27 0.950 3.401 -3.296 1.00 0.00 C ATOM 392 C ASP A 27 -0.262 2.662 -2.745 1.00 0.00 C ATOM 393 O ASP A 27 -1.180 3.269 -2.193 1.00 0.00 O ATOM 394 CB ASP A 27 0.935 4.876 -2.870 1.00 0.00 C ATOM 395 CG ASP A 27 -0.220 5.659 -3.464 1.00 0.00 C ATOM 396 OD1 ASP A 27 -0.088 6.128 -4.614 1.00 0.00 O ATOM 397 OD2 ASP A 27 -1.249 5.818 -2.775 1.00 0.00 O ATOM 0 HA ASP A 27 1.845 2.940 -2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.883 4.933 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.874 5.343 -3.169 1.00 0.00 H new ATOM 402 N TYR A 28 -0.259 1.342 -2.907 1.00 0.00 N ATOM 403 CA TYR A 28 -1.368 0.519 -2.435 1.00 0.00 C ATOM 404 C TYR A 28 -0.992 -0.198 -1.145 1.00 0.00 C ATOM 405 O TYR A 28 0.186 -0.326 -0.821 1.00 0.00 O ATOM 406 CB TYR A 28 -1.774 -0.496 -3.505 1.00 0.00 C ATOM 407 CG TYR A 28 -3.200 -0.331 -3.982 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.268 -0.716 -3.182 1.00 0.00 C ATOM 409 CD2 TYR A 28 -3.476 0.211 -5.232 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.573 -0.567 -3.614 1.00 0.00 C ATOM 411 CE2 TYR A 28 -4.778 0.363 -5.670 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.822 -0.027 -4.858 1.00 0.00 C ATOM 413 OH TYR A 28 -7.120 0.123 -5.292 1.00 0.00 O ATOM 0 H TYR A 28 0.494 0.822 -3.358 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.217 1.172 -2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.101 -0.403 -4.357 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.646 -1.503 -3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -4.076 -1.139 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.661 0.518 -5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.393 -0.872 -2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.977 0.785 -6.644 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.121 0.519 -6.188 1.00 0.00 H new ATOM 423 N ARG A 29 -1.998 -0.645 -0.401 1.00 0.00 N ATOM 424 CA ARG A 29 -1.755 -1.316 0.869 1.00 0.00 C ATOM 425 C ARG A 29 -2.482 -2.653 0.955 1.00 0.00 C ATOM 426 O ARG A 29 -3.686 -2.740 0.713 1.00 0.00 O ATOM 427 CB ARG A 29 -2.181 -0.418 2.033 1.00 0.00 C ATOM 428 CG ARG A 29 -3.606 0.097 1.918 1.00 0.00 C ATOM 429 CD ARG A 29 -3.829 1.317 2.798 1.00 0.00 C ATOM 430 NE ARG A 29 -5.229 1.464 3.187 1.00 0.00 N ATOM 431 CZ ARG A 29 -5.701 1.133 4.385 1.00 0.00 C ATOM 432 NH1 ARG A 29 -4.889 0.635 5.308 1.00 0.00 N ATOM 433 NH2 ARG A 29 -6.988 1.298 4.660 1.00 0.00 N ATOM 0 H ARG A 29 -2.982 -0.555 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.685 -1.513 0.933 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.079 -0.974 2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.501 0.432 2.093 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.820 0.352 0.880 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.303 -0.691 2.203 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.211 1.236 3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.505 2.212 2.266 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.882 1.842 2.501 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.899 0.505 5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.255 0.382 6.226 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.616 1.679 3.952 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.350 1.044 5.579 1.00 0.00 H new ATOM 447 N LEU A 30 -1.735 -3.689 1.320 1.00 0.00 N ATOM 448 CA LEU A 30 -2.288 -5.025 1.494 1.00 0.00 C ATOM 449 C LEU A 30 -2.016 -5.508 2.914 1.00 0.00 C ATOM 450 O LEU A 30 -1.121 -6.321 3.142 1.00 0.00 O ATOM 451 CB LEU A 30 -1.670 -5.996 0.477 1.00 0.00 C ATOM 452 CG LEU A 30 -2.551 -7.188 0.081 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.612 -8.207 1.212 1.00 0.00 C ATOM 454 CD2 LEU A 30 -3.949 -6.717 -0.297 1.00 0.00 C ATOM 0 H LEU A 30 -0.733 -3.626 1.503 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.364 -4.989 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.418 -5.438 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.735 -6.378 0.888 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.107 -7.671 -0.789 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.241 -9.045 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.607 -8.568 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.031 -7.738 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.560 -7.576 -0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.404 -6.208 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.886 -6.029 -1.140 1.00 0.00 H new ATOM 466 N ASP A 31 -2.798 -5.004 3.866 1.00 0.00 N ATOM 467 CA ASP A 31 -2.589 -5.325 5.273 1.00 0.00 C ATOM 468 C ASP A 31 -3.585 -6.368 5.768 1.00 0.00 C ATOM 469 O ASP A 31 -4.478 -6.066 6.561 1.00 0.00 O ATOM 470 CB ASP A 31 -2.703 -4.055 6.120 1.00 0.00 C ATOM 471 CG ASP A 31 -3.816 -3.141 5.645 1.00 0.00 C ATOM 472 OD1 ASP A 31 -4.881 -3.658 5.250 1.00 0.00 O ATOM 473 OD2 ASP A 31 -3.620 -1.907 5.667 1.00 0.00 O ATOM 0 H ASP A 31 -3.580 -4.373 3.688 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.588 -5.745 5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.881 -4.330 7.160 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.756 -3.516 6.090 1.00 0.00 H new ATOM 478 N MET A 32 -3.446 -7.589 5.263 1.00 0.00 N ATOM 479 CA MET A 32 -4.303 -8.691 5.675 1.00 0.00 C ATOM 480 C MET A 32 -3.486 -9.968 5.887 1.00 0.00 C ATOM 481 O MET A 32 -2.686 -10.064 6.821 1.00 0.00 O ATOM 482 CB MET A 32 -5.405 -8.921 4.636 1.00 0.00 C ATOM 483 CG MET A 32 -6.670 -8.122 4.905 1.00 0.00 C ATOM 484 SD MET A 32 -7.698 -7.933 3.435 1.00 0.00 S ATOM 485 CE MET A 32 -8.450 -6.339 3.752 1.00 0.00 C ATOM 0 H MET A 32 -2.745 -7.839 4.566 1.00 0.00 H new ATOM 0 HA MET A 32 -4.769 -8.429 6.625 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.023 -8.660 3.649 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.654 -9.982 4.611 1.00 0.00 H new ATOM 0 HG2 MET A 32 -7.248 -8.616 5.687 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.399 -7.136 5.283 1.00 0.00 H new ATOM 0 HE1 MET A 32 -9.116 -6.081 2.929 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.020 -6.384 4.680 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.672 -5.581 3.840 1.00 0.00 H new ATOM 495 N VAL A 33 -3.705 -10.953 5.022 1.00 0.00 N ATOM 496 CA VAL A 33 -2.988 -12.216 5.097 1.00 0.00 C ATOM 497 C VAL A 33 -2.519 -12.662 3.713 1.00 0.00 C ATOM 498 O VAL A 33 -3.219 -12.466 2.718 1.00 0.00 O ATOM 499 CB VAL A 33 -3.866 -13.318 5.723 1.00 0.00 C ATOM 500 CG1 VAL A 33 -4.993 -13.713 4.781 1.00 0.00 C ATOM 501 CG2 VAL A 33 -3.024 -14.527 6.099 1.00 0.00 C ATOM 0 H VAL A 33 -4.378 -10.898 4.257 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.117 -12.057 5.733 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.313 -12.920 6.634 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.599 -14.492 5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.616 -12.843 4.575 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.573 -14.088 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.663 -15.293 6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.541 -14.926 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.263 -14.230 6.821 1.00 0.00 H new ATOM 511 N GLY A 34 -1.338 -13.264 3.657 1.00 0.00 N ATOM 512 CA GLY A 34 -0.807 -13.738 2.392 1.00 0.00 C ATOM 513 C GLY A 34 -1.568 -14.939 1.861 1.00 0.00 C ATOM 514 O GLY A 34 -1.502 -16.026 2.436 1.00 0.00 O ATOM 0 H GLY A 34 -0.738 -13.433 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.847 -12.932 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.243 -14.003 2.518 1.00 0.00 H new ATOM 518 N GLU A 35 -2.299 -14.743 0.766 1.00 0.00 N ATOM 519 CA GLU A 35 -3.082 -15.818 0.165 1.00 0.00 C ATOM 520 C GLU A 35 -2.678 -16.039 -1.295 1.00 0.00 C ATOM 521 O GLU A 35 -2.432 -15.082 -2.030 1.00 0.00 O ATOM 522 CB GLU A 35 -4.580 -15.501 0.270 1.00 0.00 C ATOM 523 CG GLU A 35 -5.363 -15.737 -1.014 1.00 0.00 C ATOM 524 CD GLU A 35 -6.825 -15.353 -0.887 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.517 -15.933 -0.024 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.276 -14.475 -1.651 1.00 0.00 O ATOM 0 H GLU A 35 -2.365 -13.850 0.278 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.879 -16.739 0.711 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.013 -16.110 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.699 -14.459 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.910 -15.163 -1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.291 -16.789 -1.291 1.00 0.00 H new ATOM 593 N PRO A 40 -5.578 -10.249 -3.159 1.00 0.00 N ATOM 594 CA PRO A 40 -4.890 -9.140 -2.487 1.00 0.00 C ATOM 595 C PRO A 40 -3.979 -8.360 -3.437 1.00 0.00 C ATOM 596 O PRO A 40 -4.285 -7.231 -3.819 1.00 0.00 O ATOM 597 CB PRO A 40 -4.065 -9.834 -1.399 1.00 0.00 C ATOM 598 CG PRO A 40 -3.872 -11.225 -1.890 1.00 0.00 C ATOM 599 CD PRO A 40 -5.111 -11.562 -2.666 1.00 0.00 C ATOM 0 HA PRO A 40 -5.592 -8.403 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.109 -9.332 -1.248 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.585 -9.822 -0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.985 -11.298 -2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.731 -11.917 -1.059 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.896 -12.246 -3.487 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.860 -12.044 -2.037 1.00 0.00 H new ATOM 607 N ALA A 41 -2.880 -8.994 -3.840 1.00 0.00 N ATOM 608 CA ALA A 41 -1.901 -8.381 -4.739 1.00 0.00 C ATOM 609 C ALA A 41 -2.511 -7.934 -6.069 1.00 0.00 C ATOM 610 O ALA A 41 -1.796 -7.434 -6.937 1.00 0.00 O ATOM 611 CB ALA A 41 -0.767 -9.355 -5.006 1.00 0.00 C ATOM 0 H ALA A 41 -2.642 -9.944 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.528 -7.488 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.041 -8.894 -5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.280 -9.613 -4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.165 -10.258 -5.469 1.00 0.00 H new ATOM 617 N VAL A 42 -3.816 -8.132 -6.241 1.00 0.00 N ATOM 618 CA VAL A 42 -4.487 -7.725 -7.472 1.00 0.00 C ATOM 619 C VAL A 42 -4.117 -6.288 -7.835 1.00 0.00 C ATOM 620 O VAL A 42 -4.033 -5.934 -9.012 1.00 0.00 O ATOM 621 CB VAL A 42 -6.022 -7.852 -7.346 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.734 -7.028 -8.411 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.439 -9.312 -7.435 1.00 0.00 C ATOM 0 H VAL A 42 -4.425 -8.568 -5.549 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.151 -8.394 -8.265 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.314 -7.461 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.812 -7.138 -8.296 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.463 -5.978 -8.300 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.437 -7.377 -9.400 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.523 -9.387 -7.345 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.126 -9.722 -8.395 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.968 -9.875 -6.629 1.00 0.00 H new ATOM 633 N ALA A 43 -3.890 -5.465 -6.814 1.00 0.00 N ATOM 634 CA ALA A 43 -3.502 -4.076 -7.021 1.00 0.00 C ATOM 635 C ALA A 43 -2.060 -3.980 -7.509 1.00 0.00 C ATOM 636 O ALA A 43 -1.731 -3.141 -8.348 1.00 0.00 O ATOM 637 CB ALA A 43 -3.684 -3.280 -5.738 1.00 0.00 C ATOM 0 H ALA A 43 -3.969 -5.738 -5.834 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.148 -3.652 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.390 -2.244 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.730 -3.315 -5.433 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.062 -3.709 -4.952 1.00 0.00 H new ATOM 643 N THR A 44 -1.207 -4.845 -6.970 1.00 0.00 N ATOM 644 CA THR A 44 0.205 -4.868 -7.337 1.00 0.00 C ATOM 645 C THR A 44 0.383 -5.095 -8.834 1.00 0.00 C ATOM 646 O THR A 44 0.986 -4.276 -9.528 1.00 0.00 O ATOM 647 CB THR A 44 0.931 -5.966 -6.560 1.00 0.00 C ATOM 648 OG1 THR A 44 0.422 -6.062 -5.243 1.00 0.00 O ATOM 649 CG2 THR A 44 2.425 -5.748 -6.466 1.00 0.00 C ATOM 0 H THR A 44 -1.471 -5.543 -6.274 1.00 0.00 H new ATOM 0 HA THR A 44 0.633 -3.898 -7.084 1.00 0.00 H new ATOM 0 HB THR A 44 0.754 -6.884 -7.120 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.404 -5.172 -4.834 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.877 -6.564 -5.902 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.852 -5.720 -7.468 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.624 -4.803 -5.960 1.00 0.00 H new ATOM 657 N LEU A 45 -0.135 -6.219 -9.321 1.00 0.00 N ATOM 658 CA LEU A 45 -0.024 -6.565 -10.733 1.00 0.00 C ATOM 659 C LEU A 45 -0.636 -5.482 -11.615 1.00 0.00 C ATOM 660 O LEU A 45 -0.170 -5.241 -12.727 1.00 0.00 O ATOM 661 CB LEU A 45 -0.707 -7.909 -11.003 1.00 0.00 C ATOM 662 CG LEU A 45 0.151 -8.935 -11.750 1.00 0.00 C ATOM 663 CD1 LEU A 45 1.445 -9.205 -10.993 1.00 0.00 C ATOM 664 CD2 LEU A 45 -0.626 -10.226 -11.958 1.00 0.00 C ATOM 0 H LEU A 45 -0.636 -6.906 -8.757 1.00 0.00 H new ATOM 0 HA LEU A 45 1.035 -6.645 -10.978 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.015 -8.340 -10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.614 -7.729 -11.579 1.00 0.00 H new ATOM 0 HG LEU A 45 0.406 -8.524 -12.727 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.041 -9.936 -11.540 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.009 -8.278 -10.895 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.212 -9.595 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.002 -10.944 -12.490 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.911 -10.639 -10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.523 -10.021 -12.543 1.00 0.00 H new ATOM 676 N GLU A 46 -1.678 -4.829 -11.110 1.00 0.00 N ATOM 677 CA GLU A 46 -2.342 -3.763 -11.853 1.00 0.00 C ATOM 678 C GLU A 46 -1.458 -2.519 -11.909 1.00 0.00 C ATOM 679 O GLU A 46 -1.546 -1.721 -12.843 1.00 0.00 O ATOM 680 CB GLU A 46 -3.701 -3.436 -11.214 1.00 0.00 C ATOM 681 CG GLU A 46 -3.817 -2.014 -10.681 1.00 0.00 C ATOM 682 CD GLU A 46 -5.142 -1.755 -9.991 1.00 0.00 C ATOM 683 OE1 GLU A 46 -5.469 -2.492 -9.037 1.00 0.00 O ATOM 684 OE2 GLU A 46 -5.852 -0.813 -10.402 1.00 0.00 O ATOM 0 H GLU A 46 -2.080 -5.018 -10.192 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.514 -4.104 -12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.485 -3.600 -11.953 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.882 -4.134 -10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.004 -1.825 -9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.697 -1.310 -11.505 1.00 0.00 H new ATOM 691 N ALA A 47 -0.616 -2.358 -10.894 1.00 0.00 N ATOM 692 CA ALA A 47 0.289 -1.218 -10.818 1.00 0.00 C ATOM 693 C ALA A 47 1.425 -1.341 -11.828 1.00 0.00 C ATOM 694 O ALA A 47 1.992 -0.337 -12.263 1.00 0.00 O ATOM 695 CB ALA A 47 0.849 -1.085 -9.409 1.00 0.00 C ATOM 0 H ALA A 47 -0.542 -3.006 -10.110 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.280 -0.321 -11.062 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.524 -0.230 -9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.030 -0.938 -8.704 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.395 -1.992 -9.147 1.00 0.00 H new ATOM 701 N MET A 48 1.764 -2.578 -12.187 1.00 0.00 N ATOM 702 CA MET A 48 2.852 -2.833 -13.128 1.00 0.00 C ATOM 703 C MET A 48 2.665 -2.054 -14.432 1.00 0.00 C ATOM 704 O MET A 48 3.556 -1.309 -14.836 1.00 0.00 O ATOM 705 CB MET A 48 2.977 -4.333 -13.413 1.00 0.00 C ATOM 706 CG MET A 48 3.172 -5.175 -12.163 1.00 0.00 C ATOM 707 SD MET A 48 4.818 -4.989 -11.450 1.00 0.00 S ATOM 708 CE MET A 48 4.491 -3.809 -10.144 1.00 0.00 C ATOM 0 H MET A 48 1.301 -3.418 -11.841 1.00 0.00 H new ATOM 0 HA MET A 48 3.775 -2.485 -12.665 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.081 -4.672 -13.933 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.818 -4.498 -14.087 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.425 -4.895 -11.421 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.002 -6.224 -12.406 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.374 -3.191 -9.983 1.00 0.00 H new ATOM 0 HE2 MET A 48 3.651 -3.175 -10.428 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.248 -4.342 -9.225 1.00 0.00 H new ATOM 718 N PRO A 49 1.510 -2.200 -15.117 1.00 0.00 N ATOM 719 CA PRO A 49 1.251 -1.468 -16.359 1.00 0.00 C ATOM 720 C PRO A 49 1.021 0.016 -16.098 1.00 0.00 C ATOM 721 O PRO A 49 1.485 0.871 -16.852 1.00 0.00 O ATOM 722 CB PRO A 49 -0.018 -2.123 -16.902 1.00 0.00 C ATOM 723 CG PRO A 49 -0.717 -2.645 -15.696 1.00 0.00 C ATOM 724 CD PRO A 49 0.365 -3.051 -14.732 1.00 0.00 C ATOM 0 HA PRO A 49 2.091 -1.515 -17.052 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.637 -1.404 -17.439 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.218 -2.925 -17.602 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.363 -1.883 -15.259 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.352 -3.494 -15.950 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.067 -2.878 -13.698 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.605 -4.111 -14.821 1.00 0.00 H new ATOM 732 N GLN A 50 0.305 0.307 -15.017 1.00 0.00 N ATOM 733 CA GLN A 50 0.019 1.684 -14.631 1.00 0.00 C ATOM 734 C GLN A 50 1.260 2.374 -14.070 1.00 0.00 C ATOM 735 O GLN A 50 1.175 3.491 -13.561 1.00 0.00 O ATOM 736 CB GLN A 50 -1.104 1.716 -13.592 1.00 0.00 C ATOM 737 CG GLN A 50 -2.336 2.479 -14.052 1.00 0.00 C ATOM 738 CD GLN A 50 -3.601 1.647 -13.968 1.00 0.00 C ATOM 739 OE1 GLN A 50 -3.547 0.424 -13.832 1.00 0.00 O ATOM 740 NE2 GLN A 50 -4.750 2.308 -14.050 1.00 0.00 N ATOM 0 H GLN A 50 -0.089 -0.395 -14.391 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.296 2.223 -15.525 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.391 0.693 -13.347 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.727 2.170 -12.675 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.453 3.375 -13.442 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.191 2.810 -15.080 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.748 3.322 -14.162 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.634 1.802 -14.001 1.00 0.00 H new ATOM 749 N LEU A 51 2.405 1.695 -14.150 1.00 0.00 N ATOM 750 CA LEU A 51 3.657 2.237 -13.640 1.00 0.00 C ATOM 751 C LEU A 51 3.850 3.687 -14.075 1.00 0.00 C ATOM 752 O LEU A 51 3.366 4.101 -15.128 1.00 0.00 O ATOM 753 CB LEU A 51 4.829 1.379 -14.121 1.00 0.00 C ATOM 754 CG LEU A 51 5.387 1.751 -15.496 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.903 1.861 -15.446 1.00 0.00 C ATOM 756 CD2 LEU A 51 4.958 0.733 -16.542 1.00 0.00 C ATOM 0 H LEU A 51 2.487 0.767 -14.565 1.00 0.00 H new ATOM 0 HA LEU A 51 3.619 2.217 -12.551 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.634 1.448 -13.389 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.510 0.337 -14.146 1.00 0.00 H new ATOM 0 HG LEU A 51 4.982 2.723 -15.778 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.281 2.126 -16.433 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.188 2.631 -14.729 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.327 0.905 -15.140 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.365 1.015 -17.513 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.331 -0.253 -16.265 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.870 0.706 -16.599 1.00 0.00 H new ATOM 768 N LYS A 52 4.553 4.454 -13.251 1.00 0.00 N ATOM 769 CA LYS A 52 4.804 5.860 -13.540 1.00 0.00 C ATOM 770 C LYS A 52 6.178 6.281 -13.028 1.00 0.00 C ATOM 771 O LYS A 52 7.052 5.442 -12.807 1.00 0.00 O ATOM 772 CB LYS A 52 3.719 6.731 -12.904 1.00 0.00 C ATOM 773 CG LYS A 52 2.400 6.707 -13.660 1.00 0.00 C ATOM 774 CD LYS A 52 2.392 7.707 -14.805 1.00 0.00 C ATOM 775 CE LYS A 52 1.108 7.618 -15.613 1.00 0.00 C ATOM 776 NZ LYS A 52 1.057 8.640 -16.694 1.00 0.00 N ATOM 0 H LYS A 52 4.960 4.125 -12.376 1.00 0.00 H new ATOM 0 HA LYS A 52 4.782 5.996 -14.621 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.548 6.395 -11.881 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.077 7.759 -12.847 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.222 5.705 -14.050 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.583 6.932 -12.974 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.505 8.716 -14.409 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.246 7.523 -15.456 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.023 6.623 -16.050 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.253 7.749 -14.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.165 8.544 -17.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.112 9.591 -16.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.858 8.500 -17.342 1.00 0.00 H new ATOM 790 N LYS A 53 6.362 7.583 -12.839 1.00 0.00 N ATOM 791 CA LYS A 53 7.631 8.113 -12.355 1.00 0.00 C ATOM 792 C LYS A 53 7.682 8.115 -10.831 1.00 0.00 C ATOM 793 O LYS A 53 8.520 8.786 -10.230 1.00 0.00 O ATOM 794 CB LYS A 53 7.847 9.533 -12.883 1.00 0.00 C ATOM 795 CG LYS A 53 8.506 9.580 -14.251 1.00 0.00 C ATOM 796 CD LYS A 53 7.637 10.310 -15.263 1.00 0.00 C ATOM 797 CE LYS A 53 7.936 9.857 -16.683 1.00 0.00 C ATOM 798 NZ LYS A 53 8.936 10.737 -17.348 1.00 0.00 N ATOM 0 H LYS A 53 5.648 8.291 -13.014 1.00 0.00 H new ATOM 0 HA LYS A 53 8.427 7.466 -12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.885 10.043 -12.935 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.463 10.086 -12.173 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.473 10.078 -14.174 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.697 8.565 -14.599 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.586 10.132 -15.037 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.804 11.384 -15.180 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.308 8.833 -16.666 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.014 9.852 -17.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.112 10.394 -18.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.571 11.710 -17.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.825 10.722 -16.808 1.00 0.00 H new ATOM 812 N GLY A 54 6.780 7.358 -10.211 1.00 0.00 N ATOM 813 CA GLY A 54 6.744 7.293 -8.761 1.00 0.00 C ATOM 814 C GLY A 54 5.804 6.222 -8.242 1.00 0.00 C ATOM 815 O GLY A 54 4.804 6.528 -7.592 1.00 0.00 O ATOM 0 H GLY A 54 6.077 6.791 -10.685 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.749 7.100 -8.386 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.437 8.261 -8.366 1.00 0.00 H new ATOM 819 N GLU A 55 6.131 4.962 -8.518 1.00 0.00 N ATOM 820 CA GLU A 55 5.319 3.841 -8.052 1.00 0.00 C ATOM 821 C GLU A 55 5.743 3.425 -6.651 1.00 0.00 C ATOM 822 O GLU A 55 6.917 3.524 -6.295 1.00 0.00 O ATOM 823 CB GLU A 55 5.442 2.658 -9.017 1.00 0.00 C ATOM 824 CG GLU A 55 5.078 1.314 -8.403 1.00 0.00 C ATOM 825 CD GLU A 55 4.946 0.214 -9.440 1.00 0.00 C ATOM 826 OE1 GLU A 55 5.691 0.249 -10.442 1.00 0.00 O ATOM 827 OE2 GLU A 55 4.098 -0.682 -9.249 1.00 0.00 O ATOM 0 H GLU A 55 6.951 4.692 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 55 4.277 4.158 -8.020 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.799 2.838 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.466 2.610 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.840 1.033 -7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.138 1.410 -7.859 1.00 0.00 H new ATOM 834 N ILE A 56 4.778 2.969 -5.859 1.00 0.00 N ATOM 835 CA ILE A 56 5.043 2.551 -4.489 1.00 0.00 C ATOM 836 C ILE A 56 3.986 1.550 -4.018 1.00 0.00 C ATOM 837 O ILE A 56 2.860 1.534 -4.516 1.00 0.00 O ATOM 838 CB ILE A 56 5.076 3.771 -3.534 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.442 4.458 -3.592 1.00 0.00 C ATOM 840 CG2 ILE A 56 4.757 3.366 -2.102 1.00 0.00 C ATOM 841 CD1 ILE A 56 6.376 5.898 -4.052 1.00 0.00 C ATOM 0 H ILE A 56 3.803 2.880 -6.145 1.00 0.00 H new ATOM 0 HA ILE A 56 6.020 2.069 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 56 4.309 4.471 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.900 4.422 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.092 3.899 -4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.789 4.246 -1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.762 2.923 -2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.492 2.638 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.380 6.321 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.947 5.941 -5.053 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.752 6.471 -3.366 1.00 0.00 H new ATOM 853 N LEU A 57 4.359 0.699 -3.072 1.00 0.00 N ATOM 854 CA LEU A 57 3.431 -0.277 -2.527 1.00 0.00 C ATOM 855 C LEU A 57 3.649 -0.468 -1.056 1.00 0.00 C ATOM 856 O LEU A 57 4.689 -0.101 -0.511 1.00 0.00 O ATOM 857 CB LEU A 57 3.593 -1.626 -3.206 1.00 0.00 C ATOM 858 CG LEU A 57 2.420 -2.590 -3.027 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.197 -2.084 -3.775 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.798 -3.984 -3.501 1.00 0.00 C ATOM 0 H LEU A 57 5.295 0.666 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 57 2.428 0.110 -2.706 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.748 -1.462 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.495 -2.102 -2.822 1.00 0.00 H new ATOM 0 HG LEU A 57 2.176 -2.643 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.371 -2.782 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.913 -1.105 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.428 -2.001 -4.837 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.951 -4.656 -3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.068 -3.949 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.646 -4.348 -2.921 1.00 0.00 H new ATOM 872 N GLU A 58 2.673 -1.087 -0.423 1.00 0.00 N ATOM 873 CA GLU A 58 2.781 -1.396 0.973 1.00 0.00 C ATOM 874 C GLU A 58 2.002 -2.667 1.297 1.00 0.00 C ATOM 875 O GLU A 58 0.885 -2.854 0.819 1.00 0.00 O ATOM 876 CB GLU A 58 2.280 -0.227 1.833 1.00 0.00 C ATOM 877 CG GLU A 58 2.170 1.099 1.086 1.00 0.00 C ATOM 878 CD GLU A 58 1.001 1.940 1.561 1.00 0.00 C ATOM 879 OE1 GLU A 58 -0.111 1.773 1.017 1.00 0.00 O ATOM 880 OE2 GLU A 58 1.198 2.764 2.479 1.00 0.00 O ATOM 0 H GLU A 58 1.800 -1.382 -0.860 1.00 0.00 H new ATOM 0 HA GLU A 58 3.833 -1.562 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.302 -0.484 2.240 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.954 -0.099 2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.094 1.662 1.215 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.062 0.903 0.019 1.00 0.00 H new ATOM 887 N VAL A 59 2.612 -3.556 2.076 1.00 0.00 N ATOM 888 CA VAL A 59 1.977 -4.823 2.428 1.00 0.00 C ATOM 889 C VAL A 59 2.190 -5.169 3.897 1.00 0.00 C ATOM 890 O VAL A 59 3.308 -5.118 4.406 1.00 0.00 O ATOM 891 CB VAL A 59 2.511 -5.984 1.568 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.662 -7.229 1.772 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.553 -5.592 0.100 1.00 0.00 C ATOM 0 H VAL A 59 3.542 -3.424 2.474 1.00 0.00 H new ATOM 0 HA VAL A 59 0.912 -4.692 2.238 1.00 0.00 H new ATOM 0 HB VAL A 59 3.529 -6.208 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.052 -8.040 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.692 -7.522 2.821 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.632 -7.018 1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.933 -6.427 -0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.548 -5.338 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.208 -4.730 -0.028 1.00 0.00 H new ATOM 903 N VAL A 60 1.107 -5.548 4.564 1.00 0.00 N ATOM 904 CA VAL A 60 1.159 -5.952 5.963 1.00 0.00 C ATOM 905 C VAL A 60 0.302 -7.196 6.180 1.00 0.00 C ATOM 906 O VAL A 60 -0.866 -7.109 6.561 1.00 0.00 O ATOM 907 CB VAL A 60 0.684 -4.824 6.900 1.00 0.00 C ATOM 908 CG1 VAL A 60 0.731 -5.273 8.353 1.00 0.00 C ATOM 909 CG2 VAL A 60 1.528 -3.576 6.695 1.00 0.00 C ATOM 0 H VAL A 60 0.174 -5.584 4.154 1.00 0.00 H new ATOM 0 HA VAL A 60 2.198 -6.175 6.204 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.351 -4.585 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.392 -4.461 8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.082 -6.138 8.488 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.754 -5.542 8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.181 -2.788 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.572 -3.803 6.913 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.437 -3.241 5.662 1.00 0.00 H new ATOM 919 N SER A 61 0.873 -8.355 5.891 1.00 0.00 N ATOM 920 CA SER A 61 0.142 -9.606 6.023 1.00 0.00 C ATOM 921 C SER A 61 0.864 -10.574 6.948 1.00 0.00 C ATOM 922 O SER A 61 1.983 -10.316 7.390 1.00 0.00 O ATOM 923 CB SER A 61 -0.053 -10.248 4.647 1.00 0.00 C ATOM 924 OG SER A 61 0.964 -11.196 4.376 1.00 0.00 O ATOM 0 H SER A 61 1.834 -8.456 5.565 1.00 0.00 H new ATOM 0 HA SER A 61 -0.831 -9.382 6.460 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.028 -10.734 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.048 -9.475 3.878 1.00 0.00 H new ATOM 0 HG SER A 61 1.815 -10.731 4.234 1.00 0.00 H new ATOM 930 N ASP A 62 0.222 -11.706 7.209 1.00 0.00 N ATOM 931 CA ASP A 62 0.797 -12.730 8.071 1.00 0.00 C ATOM 932 C ASP A 62 1.014 -14.022 7.292 1.00 0.00 C ATOM 933 O ASP A 62 0.095 -14.536 6.653 1.00 0.00 O ATOM 934 CB ASP A 62 -0.114 -12.990 9.269 1.00 0.00 C ATOM 935 CG ASP A 62 0.597 -12.787 10.592 1.00 0.00 C ATOM 936 OD1 ASP A 62 1.812 -13.068 10.663 1.00 0.00 O ATOM 937 OD2 ASP A 62 -0.062 -12.349 11.558 1.00 0.00 O ATOM 0 H ASP A 62 -0.698 -11.938 6.835 1.00 0.00 H new ATOM 0 HA ASP A 62 1.761 -12.372 8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.976 -12.325 9.217 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.495 -14.010 9.217 1.00 0.00 H new ATOM 942 N CYS A 63 2.244 -14.527 7.327 1.00 0.00 N ATOM 943 CA CYS A 63 2.591 -15.751 6.616 1.00 0.00 C ATOM 944 C CYS A 63 3.805 -16.425 7.251 1.00 0.00 C ATOM 945 O CYS A 63 4.693 -15.753 7.775 1.00 0.00 O ATOM 946 CB CYS A 63 2.877 -15.444 5.144 1.00 0.00 C ATOM 947 SG CYS A 63 1.795 -16.311 3.984 1.00 0.00 S ATOM 0 H CYS A 63 3.017 -14.106 7.841 1.00 0.00 H new ATOM 0 HA CYS A 63 1.744 -16.433 6.682 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.779 -14.371 4.982 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.912 -15.706 4.924 1.00 0.00 H new ATOM 0 HG CYS A 63 1.781 -15.678 2.848 1.00 0.00 H new ATOM 953 N PRO A 64 3.864 -17.770 7.208 1.00 0.00 N ATOM 954 CA PRO A 64 4.970 -18.529 7.792 1.00 0.00 C ATOM 955 C PRO A 64 6.197 -18.572 6.885 1.00 0.00 C ATOM 956 O PRO A 64 7.181 -19.247 7.188 1.00 0.00 O ATOM 957 CB PRO A 64 4.375 -19.926 7.951 1.00 0.00 C ATOM 958 CG PRO A 64 3.397 -20.042 6.834 1.00 0.00 C ATOM 959 CD PRO A 64 2.845 -18.656 6.609 1.00 0.00 C ATOM 0 HA PRO A 64 5.327 -18.085 8.721 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.145 -20.695 7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.888 -20.043 8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.879 -20.419 5.932 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.600 -20.742 7.086 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.707 -18.447 5.548 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.874 -18.530 7.087 1.00 0.00 H new ATOM 967 N GLN A 65 6.132 -17.848 5.771 1.00 0.00 N ATOM 968 CA GLN A 65 7.239 -17.809 4.821 1.00 0.00 C ATOM 969 C GLN A 65 7.645 -16.372 4.513 1.00 0.00 C ATOM 970 O GLN A 65 6.883 -15.435 4.755 1.00 0.00 O ATOM 971 CB GLN A 65 6.854 -18.530 3.528 1.00 0.00 C ATOM 972 CG GLN A 65 7.761 -19.703 3.194 1.00 0.00 C ATOM 973 CD GLN A 65 7.571 -20.874 4.138 1.00 0.00 C ATOM 974 OE1 GLN A 65 6.590 -21.612 4.041 1.00 0.00 O ATOM 975 NE2 GLN A 65 8.510 -21.050 5.060 1.00 0.00 N ATOM 0 H GLN A 65 5.326 -17.282 5.505 1.00 0.00 H new ATOM 0 HA GLN A 65 8.090 -18.317 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.828 -18.887 3.612 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.877 -17.817 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 65 7.566 -20.029 2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.800 -19.376 3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.307 -20.414 5.105 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.435 -21.821 5.724 1.00 0.00 H new ATOM 984 N SER A 66 8.850 -16.206 3.975 1.00 0.00 N ATOM 985 CA SER A 66 9.358 -14.884 3.629 1.00 0.00 C ATOM 986 C SER A 66 8.638 -14.328 2.405 1.00 0.00 C ATOM 987 O SER A 66 8.122 -13.210 2.430 1.00 0.00 O ATOM 988 CB SER A 66 10.863 -14.947 3.360 1.00 0.00 C ATOM 989 OG SER A 66 11.571 -15.356 4.518 1.00 0.00 O ATOM 0 H SER A 66 9.492 -16.971 3.770 1.00 0.00 H new ATOM 0 HA SER A 66 9.172 -14.220 4.473 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.061 -15.642 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.220 -13.968 3.039 1.00 0.00 H new ATOM 0 HG SER A 66 12.530 -15.390 4.320 1.00 0.00 H new ATOM 995 N ILE A 67 8.606 -15.118 1.337 1.00 0.00 N ATOM 996 CA ILE A 67 7.944 -14.709 0.103 1.00 0.00 C ATOM 997 C ILE A 67 6.430 -14.831 0.232 1.00 0.00 C ATOM 998 O ILE A 67 5.925 -15.750 0.878 1.00 0.00 O ATOM 999 CB ILE A 67 8.418 -15.550 -1.098 1.00 0.00 C ATOM 1000 CG1 ILE A 67 9.943 -15.668 -1.094 1.00 0.00 C ATOM 1001 CG2 ILE A 67 7.934 -14.937 -2.403 1.00 0.00 C ATOM 1002 CD1 ILE A 67 10.439 -17.090 -0.948 1.00 0.00 C ATOM 0 H ILE A 67 9.030 -16.045 1.301 1.00 0.00 H new ATOM 0 HA ILE A 67 8.211 -13.667 -0.071 1.00 0.00 H new ATOM 0 HB ILE A 67 7.992 -16.550 -1.011 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.334 -15.249 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE A 67 10.344 -15.066 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.278 -15.544 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.845 -14.900 -2.406 1.00 0.00 H new ATOM 0 HG23 ILE A 67 8.332 -13.927 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 67 11.529 -17.097 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 67 10.078 -17.507 -0.008 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.068 -17.692 -1.778 1.00 0.00 H new ATOM 1014 N ASN A 68 5.711 -13.897 -0.382 1.00 0.00 N ATOM 1015 CA ASN A 68 4.254 -13.900 -0.331 1.00 0.00 C ATOM 1016 C ASN A 68 3.654 -13.655 -1.711 1.00 0.00 C ATOM 1017 O ASN A 68 4.366 -13.634 -2.715 1.00 0.00 O ATOM 1018 CB ASN A 68 3.756 -12.840 0.650 1.00 0.00 C ATOM 1019 CG ASN A 68 2.681 -13.372 1.578 1.00 0.00 C ATOM 1020 OD1 ASN A 68 2.008 -14.355 1.268 1.00 0.00 O ATOM 1021 ND2 ASN A 68 2.517 -12.725 2.726 1.00 0.00 N ATOM 0 H ASN A 68 6.113 -13.129 -0.920 1.00 0.00 H new ATOM 0 HA ASN A 68 3.933 -14.884 0.011 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.595 -12.474 1.242 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.363 -11.989 0.093 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.811 -13.039 3.392 1.00 0.00 H new ATOM 0 HD22 ASN A 68 3.097 -11.915 2.942 1.00 0.00 H new ATOM 1028 N ASN A 69 2.337 -13.480 -1.751 1.00 0.00 N ATOM 1029 CA ASN A 69 1.628 -13.261 -3.007 1.00 0.00 C ATOM 1030 C ASN A 69 1.898 -11.870 -3.574 1.00 0.00 C ATOM 1031 O ASN A 69 2.174 -11.722 -4.765 1.00 0.00 O ATOM 1032 CB ASN A 69 0.125 -13.454 -2.800 1.00 0.00 C ATOM 1033 CG ASN A 69 -0.610 -13.737 -4.097 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -1.687 -13.196 -4.344 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -0.030 -14.593 -4.931 1.00 0.00 N ATOM 0 H ASN A 69 1.738 -13.486 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 69 1.996 -13.992 -3.726 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.040 -14.278 -2.106 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.292 -12.559 -2.338 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.479 -14.825 -5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.864 -15.018 -4.685 1.00 0.00 H new ATOM 1042 N ILE A 70 1.793 -10.848 -2.727 1.00 0.00 N ATOM 1043 CA ILE A 70 1.993 -9.468 -3.171 1.00 0.00 C ATOM 1044 C ILE A 70 3.394 -9.254 -3.758 1.00 0.00 C ATOM 1045 O ILE A 70 3.528 -8.697 -4.848 1.00 0.00 O ATOM 1046 CB ILE A 70 1.742 -8.432 -2.048 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.768 -8.969 -0.989 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.203 -7.139 -2.644 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.550 -9.459 -1.552 1.00 0.00 C ATOM 0 H ILE A 70 1.572 -10.947 -1.736 1.00 0.00 H new ATOM 0 HA ILE A 70 1.250 -9.306 -3.952 1.00 0.00 H new ATOM 0 HB ILE A 70 2.695 -8.237 -1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.248 -9.787 -0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.570 -8.182 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.029 -6.416 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.928 -6.734 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.265 -7.340 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.180 -9.822 -0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.054 -8.639 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.366 -10.269 -2.258 1.00 0.00 H new ATOM 1061 N PRO A 71 4.462 -9.688 -3.055 1.00 0.00 N ATOM 1062 CA PRO A 71 5.838 -9.521 -3.542 1.00 0.00 C ATOM 1063 C PRO A 71 6.118 -10.345 -4.795 1.00 0.00 C ATOM 1064 O PRO A 71 6.780 -9.877 -5.722 1.00 0.00 O ATOM 1065 CB PRO A 71 6.696 -10.019 -2.376 1.00 0.00 C ATOM 1066 CG PRO A 71 5.806 -10.941 -1.621 1.00 0.00 C ATOM 1067 CD PRO A 71 4.425 -10.365 -1.744 1.00 0.00 C ATOM 0 HA PRO A 71 6.041 -8.489 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.589 -10.533 -2.732 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.033 -9.192 -1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 71 5.848 -11.949 -2.033 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.110 -11.010 -0.576 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.660 -11.141 -1.712 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.205 -9.667 -0.936 1.00 0.00 H new ATOM 1075 N LEU A 72 5.615 -11.576 -4.814 1.00 0.00 N ATOM 1076 CA LEU A 72 5.815 -12.468 -5.952 1.00 0.00 C ATOM 1077 C LEU A 72 5.049 -11.973 -7.172 1.00 0.00 C ATOM 1078 O LEU A 72 5.366 -12.332 -8.306 1.00 0.00 O ATOM 1079 CB LEU A 72 5.368 -13.887 -5.596 1.00 0.00 C ATOM 1080 CG LEU A 72 5.645 -14.942 -6.670 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.744 -15.890 -6.213 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.377 -15.712 -7.002 1.00 0.00 C ATOM 0 H LEU A 72 5.066 -11.979 -4.054 1.00 0.00 H new ATOM 0 HA LEU A 72 6.878 -12.478 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.867 -14.188 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.298 -13.873 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 72 5.983 -14.434 -7.573 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.929 -16.634 -6.988 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.658 -15.325 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 72 6.434 -16.391 -5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.594 -16.457 -7.767 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.008 -16.210 -6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.619 -15.022 -7.372 1.00 0.00 H new ATOM 1094 N ASP A 73 4.034 -11.150 -6.932 1.00 0.00 N ATOM 1095 CA ASP A 73 3.220 -10.605 -8.011 1.00 0.00 C ATOM 1096 C ASP A 73 4.040 -9.662 -8.881 1.00 0.00 C ATOM 1097 O ASP A 73 4.231 -9.909 -10.072 1.00 0.00 O ATOM 1098 CB ASP A 73 2.004 -9.871 -7.444 1.00 0.00 C ATOM 1099 CG ASP A 73 0.696 -10.518 -7.851 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.588 -11.758 -7.744 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.221 -9.786 -8.278 1.00 0.00 O ATOM 0 H ASP A 73 3.756 -10.846 -5.999 1.00 0.00 H new ATOM 0 HA ASP A 73 2.875 -11.434 -8.628 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.072 -9.848 -6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.016 -8.836 -7.786 1.00 0.00 H new ATOM 1106 N ALA A 74 4.527 -8.582 -8.278 1.00 0.00 N ATOM 1107 CA ALA A 74 5.337 -7.608 -8.998 1.00 0.00 C ATOM 1108 C ALA A 74 6.561 -8.276 -9.614 1.00 0.00 C ATOM 1109 O ALA A 74 6.922 -7.999 -10.757 1.00 0.00 O ATOM 1110 CB ALA A 74 5.752 -6.477 -8.072 1.00 0.00 C ATOM 0 H ALA A 74 4.375 -8.360 -7.294 1.00 0.00 H new ATOM 0 HA ALA A 74 4.736 -7.190 -9.806 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.356 -5.758 -8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.863 -5.981 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.335 -6.880 -7.244 1.00 0.00 H new ATOM 1116 N ARG A 75 7.178 -9.177 -8.858 1.00 0.00 N ATOM 1117 CA ARG A 75 8.350 -9.903 -9.331 1.00 0.00 C ATOM 1118 C ARG A 75 8.008 -10.758 -10.549 1.00 0.00 C ATOM 1119 O ARG A 75 8.856 -10.997 -11.409 1.00 0.00 O ATOM 1120 CB ARG A 75 8.910 -10.784 -8.210 1.00 0.00 C ATOM 1121 CG ARG A 75 10.117 -11.611 -8.624 1.00 0.00 C ATOM 1122 CD ARG A 75 11.236 -11.510 -7.601 1.00 0.00 C ATOM 1123 NE ARG A 75 11.981 -12.761 -7.478 1.00 0.00 N ATOM 1124 CZ ARG A 75 13.161 -12.976 -8.052 1.00 0.00 C ATOM 1125 NH1 ARG A 75 13.728 -12.029 -8.787 1.00 0.00 N ATOM 1126 NH2 ARG A 75 13.775 -14.141 -7.892 1.00 0.00 N ATOM 0 H ARG A 75 6.885 -9.422 -7.912 1.00 0.00 H new ATOM 0 HA ARG A 75 9.106 -9.176 -9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 75 9.187 -10.151 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.125 -11.454 -7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.822 -12.654 -8.741 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.478 -11.270 -9.595 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.918 -10.709 -7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.817 -11.241 -6.631 1.00 0.00 H new ATOM 0 HE ARG A 75 11.573 -13.511 -6.921 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.259 -11.132 -8.913 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.633 -12.197 -9.226 1.00 0.00 H new ATOM 0 HH21 ARG A 75 13.342 -14.873 -7.328 1.00 0.00 H new ATOM 0 HH22 ARG A 75 14.680 -14.305 -8.333 1.00 0.00 H new ATOM 1140 N ASN A 76 6.759 -11.210 -10.620 1.00 0.00 N ATOM 1141 CA ASN A 76 6.306 -12.027 -11.739 1.00 0.00 C ATOM 1142 C ASN A 76 6.296 -11.216 -13.030 1.00 0.00 C ATOM 1143 O ASN A 76 7.059 -11.495 -13.956 1.00 0.00 O ATOM 1144 CB ASN A 76 4.909 -12.584 -11.461 1.00 0.00 C ATOM 1145 CG ASN A 76 4.698 -13.953 -12.077 1.00 0.00 C ATOM 1146 OD1 ASN A 76 4.626 -14.092 -13.298 1.00 0.00 O ATOM 1147 ND2 ASN A 76 4.598 -14.973 -11.233 1.00 0.00 N ATOM 0 H ASN A 76 6.044 -11.024 -9.916 1.00 0.00 H new ATOM 0 HA ASN A 76 7.001 -12.858 -11.856 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.753 -12.646 -10.384 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.161 -11.894 -11.852 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.456 -15.918 -11.590 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.664 -14.812 -10.228 1.00 0.00 H new ATOM 1154 N HIS A 77 5.433 -10.206 -13.082 1.00 0.00 N ATOM 1155 CA HIS A 77 5.333 -9.342 -14.254 1.00 0.00 C ATOM 1156 C HIS A 77 6.637 -8.582 -14.472 1.00 0.00 C ATOM 1157 O HIS A 77 7.277 -8.712 -15.517 1.00 0.00 O ATOM 1158 CB HIS A 77 4.175 -8.356 -14.088 1.00 0.00 C ATOM 1159 CG HIS A 77 3.087 -8.529 -15.102 1.00 0.00 C ATOM 1160 ND1 HIS A 77 1.932 -9.212 -14.804 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.025 -8.090 -16.384 1.00 0.00 C ATOM 1162 CE1 HIS A 77 1.197 -9.176 -15.901 1.00 0.00 C ATOM 1163 NE2 HIS A 77 1.818 -8.508 -16.883 1.00 0.00 N ATOM 0 H HIS A 77 4.792 -9.965 -12.326 1.00 0.00 H new ATOM 0 HA HIS A 77 5.144 -9.967 -15.126 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.751 -8.471 -13.090 1.00 0.00 H new ATOM 0 HB3 HIS A 77 4.563 -7.339 -14.154 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.779 -7.522 -16.909 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.220 -9.627 -15.995 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.460 -8.342 -17.824 1.00 0.00 H new ATOM 1171 N GLY A 78 7.028 -7.798 -13.473 1.00 0.00 N ATOM 1172 CA GLY A 78 8.258 -7.033 -13.562 1.00 0.00 C ATOM 1173 C GLY A 78 8.193 -5.738 -12.776 1.00 0.00 C ATOM 1174 O GLY A 78 7.618 -4.752 -13.235 1.00 0.00 O ATOM 0 H GLY A 78 6.513 -7.679 -12.601 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.086 -7.638 -13.192 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.469 -6.810 -14.608 1.00 0.00 H new ATOM 1178 N TYR A 79 8.794 -5.744 -11.590 1.00 0.00 N ATOM 1179 CA TYR A 79 8.790 -4.577 -10.718 1.00 0.00 C ATOM 1180 C TYR A 79 9.991 -3.676 -10.979 1.00 0.00 C ATOM 1181 O TYR A 79 10.765 -3.898 -11.909 1.00 0.00 O ATOM 1182 CB TYR A 79 8.821 -5.033 -9.259 1.00 0.00 C ATOM 1183 CG TYR A 79 10.107 -5.743 -8.885 1.00 0.00 C ATOM 1184 CD1 TYR A 79 10.243 -7.113 -9.068 1.00 0.00 C ATOM 1185 CD2 TYR A 79 11.191 -5.041 -8.371 1.00 0.00 C ATOM 1186 CE1 TYR A 79 11.418 -7.764 -8.740 1.00 0.00 C ATOM 1187 CE2 TYR A 79 12.371 -5.684 -8.047 1.00 0.00 C ATOM 1188 CZ TYR A 79 12.477 -7.046 -8.228 1.00 0.00 C ATOM 1189 OH TYR A 79 13.648 -7.691 -7.900 1.00 0.00 O ATOM 0 H TYR A 79 9.292 -6.549 -11.210 1.00 0.00 H new ATOM 0 HA TYR A 79 7.883 -4.009 -10.924 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.690 -4.166 -8.611 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.978 -5.699 -9.075 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.417 -7.679 -9.473 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.110 -3.974 -8.222 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.505 -8.831 -8.884 1.00 0.00 H new ATOM 0 HE2 TYR A 79 13.205 -5.122 -7.654 1.00 0.00 H new ATOM 0 HH TYR A 79 14.294 -7.040 -7.554 1.00 0.00 H new ATOM 1199 N THR A 80 10.155 -2.683 -10.110 1.00 0.00 N ATOM 1200 CA THR A 80 11.297 -1.783 -10.165 1.00 0.00 C ATOM 1201 C THR A 80 12.139 -1.969 -8.908 1.00 0.00 C ATOM 1202 O THR A 80 13.347 -2.194 -8.979 1.00 0.00 O ATOM 1203 CB THR A 80 10.835 -0.329 -10.285 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.927 -0.182 -11.364 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.970 0.647 -10.502 1.00 0.00 C ATOM 0 H THR A 80 9.502 -2.482 -9.352 1.00 0.00 H new ATOM 0 HA THR A 80 11.896 -2.018 -11.044 1.00 0.00 H new ATOM 0 HB THR A 80 10.360 -0.097 -9.332 1.00 0.00 H new ATOM 0 HG1 THR A 80 10.399 0.185 -12.141 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.571 1.658 -10.578 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.662 0.593 -9.662 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.496 0.394 -11.423 1.00 0.00 H new ATOM 1213 N VAL A 81 11.468 -1.932 -7.759 1.00 0.00 N ATOM 1214 CA VAL A 81 12.116 -2.155 -6.473 1.00 0.00 C ATOM 1215 C VAL A 81 11.224 -3.013 -5.576 1.00 0.00 C ATOM 1216 O VAL A 81 10.137 -2.596 -5.185 1.00 0.00 O ATOM 1217 CB VAL A 81 12.435 -0.830 -5.753 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.250 -1.090 -4.494 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.169 0.125 -6.682 1.00 0.00 C ATOM 0 H VAL A 81 10.467 -1.748 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 81 13.056 -2.671 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 81 11.494 -0.363 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.466 -0.143 -3.999 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.683 -1.732 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.185 -1.581 -4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.384 1.054 -6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.103 -0.331 -7.009 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.546 0.338 -7.551 1.00 0.00 H new ATOM 1229 N LEU A 82 11.695 -4.214 -5.256 1.00 0.00 N ATOM 1230 CA LEU A 82 10.939 -5.150 -4.428 1.00 0.00 C ATOM 1231 C LEU A 82 11.743 -5.545 -3.191 1.00 0.00 C ATOM 1232 O LEU A 82 12.636 -6.389 -3.264 1.00 0.00 O ATOM 1233 CB LEU A 82 10.594 -6.407 -5.240 1.00 0.00 C ATOM 1234 CG LEU A 82 9.101 -6.655 -5.500 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.432 -7.214 -4.254 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.408 -5.380 -5.953 1.00 0.00 C ATOM 0 H LEU A 82 12.603 -4.565 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 82 10.019 -4.660 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.104 -6.345 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.000 -7.274 -4.719 1.00 0.00 H new ATOM 0 HG LEU A 82 9.012 -7.389 -6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.374 -7.384 -4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.906 -8.156 -3.978 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.536 -6.502 -3.435 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.352 -5.583 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.506 -4.618 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.868 -5.023 -6.874 1.00 0.00 H new ATOM 1248 N ASP A 83 11.428 -4.922 -2.059 1.00 0.00 N ATOM 1249 CA ASP A 83 12.118 -5.211 -0.807 1.00 0.00 C ATOM 1250 C ASP A 83 11.118 -5.519 0.299 1.00 0.00 C ATOM 1251 O ASP A 83 9.994 -5.018 0.287 1.00 0.00 O ATOM 1252 CB ASP A 83 13.003 -4.030 -0.401 1.00 0.00 C ATOM 1253 CG ASP A 83 12.348 -2.692 -0.682 1.00 0.00 C ATOM 1254 OD1 ASP A 83 11.273 -2.424 -0.106 1.00 0.00 O ATOM 1255 OD2 ASP A 83 12.913 -1.911 -1.478 1.00 0.00 O ATOM 0 H ASP A 83 10.698 -4.213 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 83 12.748 -6.087 -0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.235 -4.102 0.662 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.950 -4.088 -0.938 1.00 0.00 H new ATOM 1260 N ILE A 84 11.526 -6.353 1.250 1.00 0.00 N ATOM 1261 CA ILE A 84 10.646 -6.739 2.347 1.00 0.00 C ATOM 1262 C ILE A 84 11.367 -6.688 3.691 1.00 0.00 C ATOM 1263 O ILE A 84 12.569 -6.429 3.758 1.00 0.00 O ATOM 1264 CB ILE A 84 10.076 -8.155 2.133 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.167 -9.210 2.339 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.471 -8.275 0.743 1.00 0.00 C ATOM 1267 CD1 ILE A 84 10.635 -10.625 2.427 1.00 0.00 C ATOM 0 H ILE A 84 12.455 -6.773 1.284 1.00 0.00 H new ATOM 0 HA ILE A 84 9.827 -6.019 2.359 1.00 0.00 H new ATOM 0 HB ILE A 84 9.290 -8.328 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.879 -9.149 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 84 11.715 -8.980 3.252 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.072 -9.280 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.667 -7.547 0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.239 -8.084 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 84 11.464 -11.317 2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 84 9.945 -10.703 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 84 10.112 -10.875 1.504 1.00 0.00 H new ATOM 1279 N GLN A 85 10.616 -6.942 4.758 1.00 0.00 N ATOM 1280 CA GLN A 85 11.167 -6.943 6.107 1.00 0.00 C ATOM 1281 C GLN A 85 10.475 -7.998 6.964 1.00 0.00 C ATOM 1282 O GLN A 85 9.479 -8.588 6.548 1.00 0.00 O ATOM 1283 CB GLN A 85 11.009 -5.562 6.747 1.00 0.00 C ATOM 1284 CG GLN A 85 12.146 -5.195 7.688 1.00 0.00 C ATOM 1285 CD GLN A 85 11.688 -5.042 9.126 1.00 0.00 C ATOM 1286 OE1 GLN A 85 10.496 -5.130 9.424 1.00 0.00 O ATOM 1287 NE2 GLN A 85 12.636 -4.811 10.027 1.00 0.00 N ATOM 0 H GLN A 85 9.619 -7.151 4.713 1.00 0.00 H new ATOM 0 HA GLN A 85 12.228 -7.183 6.045 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.943 -4.811 5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.068 -5.531 7.297 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.918 -5.963 7.636 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.602 -4.263 7.355 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.611 -4.746 9.736 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.389 -4.699 11.010 1.00 0.00 H new ATOM 1296 N GLN A 86 11.002 -8.226 8.162 1.00 0.00 N ATOM 1297 CA GLN A 86 10.432 -9.219 9.064 1.00 0.00 C ATOM 1298 C GLN A 86 10.066 -8.597 10.407 1.00 0.00 C ATOM 1299 O GLN A 86 10.898 -7.960 11.055 1.00 0.00 O ATOM 1300 CB GLN A 86 11.414 -10.375 9.281 1.00 0.00 C ATOM 1301 CG GLN A 86 12.465 -10.501 8.189 1.00 0.00 C ATOM 1302 CD GLN A 86 13.847 -10.792 8.740 1.00 0.00 C ATOM 1303 OE1 GLN A 86 14.680 -9.895 8.864 1.00 0.00 O ATOM 1304 NE2 GLN A 86 14.096 -12.053 9.075 1.00 0.00 N ATOM 0 H GLN A 86 11.819 -7.739 8.530 1.00 0.00 H new ATOM 0 HA GLN A 86 9.523 -9.603 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 86 11.914 -10.239 10.240 1.00 0.00 H new ATOM 0 HB3 GLN A 86 10.854 -11.308 9.343 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.177 -11.297 7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.496 -9.577 7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 86 13.375 -12.764 8.955 1.00 0.00 H new ATOM 0 HE22 GLN A 86 15.008 -12.310 9.452 1.00 0.00 H new ATOM 1313 N ASP A 87 8.816 -8.786 10.819 1.00 0.00 N ATOM 1314 CA ASP A 87 8.341 -8.255 12.089 1.00 0.00 C ATOM 1315 C ASP A 87 7.797 -9.376 12.965 1.00 0.00 C ATOM 1316 O ASP A 87 7.896 -10.552 12.615 1.00 0.00 O ATOM 1317 CB ASP A 87 7.256 -7.202 11.851 1.00 0.00 C ATOM 1318 CG ASP A 87 7.541 -5.904 12.580 1.00 0.00 C ATOM 1319 OD1 ASP A 87 7.146 -5.785 13.758 1.00 0.00 O ATOM 1320 OD2 ASP A 87 8.165 -5.006 11.973 1.00 0.00 O ATOM 0 H ASP A 87 8.114 -9.304 10.290 1.00 0.00 H new ATOM 0 HA ASP A 87 9.181 -7.787 12.603 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.173 -7.005 10.782 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.294 -7.596 12.178 1.00 0.00 H new ATOM 1325 N GLY A 88 7.222 -9.009 14.104 1.00 0.00 N ATOM 1326 CA GLY A 88 6.678 -10.003 15.007 1.00 0.00 C ATOM 1327 C GLY A 88 5.362 -9.572 15.629 1.00 0.00 C ATOM 1328 O GLY A 88 5.298 -8.530 16.281 1.00 0.00 O ATOM 0 H GLY A 88 7.123 -8.043 14.417 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.530 -10.938 14.466 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.401 -10.203 15.798 1.00 0.00 H new ATOM 1332 N PRO A 89 4.281 -10.354 15.442 1.00 0.00 N ATOM 1333 CA PRO A 89 4.294 -11.609 14.705 1.00 0.00 C ATOM 1334 C PRO A 89 3.719 -11.473 13.296 1.00 0.00 C ATOM 1335 O PRO A 89 2.704 -12.092 12.973 1.00 0.00 O ATOM 1336 CB PRO A 89 3.375 -12.467 15.568 1.00 0.00 C ATOM 1337 CG PRO A 89 2.361 -11.505 16.123 1.00 0.00 C ATOM 1338 CD PRO A 89 2.947 -10.111 16.003 1.00 0.00 C ATOM 0 HA PRO A 89 5.298 -12.004 14.552 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.897 -13.250 14.979 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.929 -12.961 16.366 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.423 -11.576 15.573 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.138 -11.740 17.164 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.346 -9.476 15.352 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.002 -9.613 16.971 1.00 0.00 H new ATOM 1346 N THR A 90 4.358 -10.655 12.462 1.00 0.00 N ATOM 1347 CA THR A 90 3.880 -10.435 11.099 1.00 0.00 C ATOM 1348 C THR A 90 5.032 -10.149 10.141 1.00 0.00 C ATOM 1349 O THR A 90 6.201 -10.214 10.519 1.00 0.00 O ATOM 1350 CB THR A 90 2.889 -9.267 11.070 1.00 0.00 C ATOM 1351 OG1 THR A 90 3.398 -8.161 11.796 1.00 0.00 O ATOM 1352 CG2 THR A 90 1.533 -9.612 11.646 1.00 0.00 C ATOM 0 H THR A 90 5.203 -10.137 12.704 1.00 0.00 H new ATOM 0 HA THR A 90 3.382 -11.348 10.772 1.00 0.00 H new ATOM 0 HB THR A 90 2.762 -9.024 10.015 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.752 -7.424 11.765 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.882 -8.739 11.593 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.092 -10.428 11.074 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.647 -9.918 12.686 1.00 0.00 H new ATOM 1360 N ILE A 91 4.685 -9.825 8.899 1.00 0.00 N ATOM 1361 CA ILE A 91 5.675 -9.516 7.873 1.00 0.00 C ATOM 1362 C ILE A 91 5.181 -8.385 6.974 1.00 0.00 C ATOM 1363 O ILE A 91 3.983 -8.268 6.714 1.00 0.00 O ATOM 1364 CB ILE A 91 5.999 -10.756 7.015 1.00 0.00 C ATOM 1365 CG1 ILE A 91 6.995 -10.399 5.909 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.724 -11.340 6.423 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.790 -11.583 5.404 1.00 0.00 C ATOM 0 H ILE A 91 3.719 -9.770 8.577 1.00 0.00 H new ATOM 0 HA ILE A 91 6.586 -9.200 8.381 1.00 0.00 H new ATOM 0 HB ILE A 91 6.457 -11.510 7.655 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.454 -9.953 5.075 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.684 -9.642 6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 91 4.970 -12.214 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.050 -11.632 7.228 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.238 -10.592 5.796 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.475 -11.255 4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.359 -12.017 6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.110 -12.332 4.999 1.00 0.00 H new ATOM 1379 N ARG A 92 6.105 -7.543 6.514 1.00 0.00 N ATOM 1380 CA ARG A 92 5.745 -6.413 5.664 1.00 0.00 C ATOM 1381 C ARG A 92 6.506 -6.444 4.339 1.00 0.00 C ATOM 1382 O ARG A 92 7.654 -6.884 4.275 1.00 0.00 O ATOM 1383 CB ARG A 92 6.006 -5.092 6.399 1.00 0.00 C ATOM 1384 CG ARG A 92 7.372 -4.483 6.123 1.00 0.00 C ATOM 1385 CD ARG A 92 7.607 -3.241 6.965 1.00 0.00 C ATOM 1386 NE ARG A 92 8.996 -2.795 6.912 1.00 0.00 N ATOM 1387 CZ ARG A 92 9.361 -1.550 6.621 1.00 0.00 C ATOM 1388 NH1 ARG A 92 8.442 -0.630 6.355 1.00 0.00 N ATOM 1389 NH2 ARG A 92 10.646 -1.222 6.592 1.00 0.00 N ATOM 0 H ARG A 92 7.102 -7.622 6.715 1.00 0.00 H new ATOM 0 HA ARG A 92 4.682 -6.490 5.438 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.237 -4.374 6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.906 -5.260 7.471 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.149 -5.218 6.333 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.451 -4.228 5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.956 -2.439 6.617 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.333 -3.448 7.999 1.00 0.00 H new ATOM 0 HE ARG A 92 9.728 -3.477 7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.453 -0.877 6.373 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.725 0.324 6.132 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.357 -1.926 6.793 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.923 -0.266 6.368 1.00 0.00 H new ATOM 1403 N TYR A 93 5.846 -5.973 3.286 1.00 0.00 N ATOM 1404 CA TYR A 93 6.433 -5.933 1.951 1.00 0.00 C ATOM 1405 C TYR A 93 6.216 -4.558 1.326 1.00 0.00 C ATOM 1406 O TYR A 93 5.105 -4.032 1.345 1.00 0.00 O ATOM 1407 CB TYR A 93 5.804 -7.011 1.060 1.00 0.00 C ATOM 1408 CG TYR A 93 5.651 -8.363 1.730 1.00 0.00 C ATOM 1409 CD1 TYR A 93 4.692 -8.572 2.715 1.00 0.00 C ATOM 1410 CD2 TYR A 93 6.445 -9.436 1.354 1.00 0.00 C ATOM 1411 CE1 TYR A 93 4.551 -9.806 3.323 1.00 0.00 C ATOM 1412 CE2 TYR A 93 6.307 -10.673 1.952 1.00 0.00 C ATOM 1413 CZ TYR A 93 5.359 -10.853 2.936 1.00 0.00 C ATOM 1414 OH TYR A 93 5.219 -12.085 3.532 1.00 0.00 O ATOM 0 H TYR A 93 4.894 -5.610 3.333 1.00 0.00 H new ATOM 0 HA TYR A 93 7.503 -6.124 2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.823 -6.668 0.732 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.416 -7.129 0.166 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.047 -7.758 3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.185 -9.302 0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.811 -9.948 4.097 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.939 -11.495 1.650 1.00 0.00 H new ATOM 0 HH TYR A 93 5.944 -12.675 3.238 1.00 0.00 H new ATOM 1424 N LEU A 94 7.279 -3.968 0.786 1.00 0.00 N ATOM 1425 CA LEU A 94 7.180 -2.642 0.182 1.00 0.00 C ATOM 1426 C LEU A 94 7.909 -2.584 -1.154 1.00 0.00 C ATOM 1427 O LEU A 94 8.959 -3.200 -1.330 1.00 0.00 O ATOM 1428 CB LEU A 94 7.747 -1.583 1.129 1.00 0.00 C ATOM 1429 CG LEU A 94 8.833 -2.079 2.084 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.871 -0.992 2.321 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.221 -2.530 3.400 1.00 0.00 C ATOM 0 H LEU A 94 8.211 -4.382 0.754 1.00 0.00 H new ATOM 0 HA LEU A 94 6.124 -2.438 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.155 -0.766 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.928 -1.170 1.718 1.00 0.00 H new ATOM 0 HG LEU A 94 9.330 -2.935 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.636 -1.362 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.332 -0.717 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.389 -0.117 2.757 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.009 -2.880 4.067 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.698 -1.694 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.516 -3.341 3.215 1.00 0.00 H new ATOM 1443 N ILE A 95 7.343 -1.831 -2.094 1.00 0.00 N ATOM 1444 CA ILE A 95 7.942 -1.678 -3.416 1.00 0.00 C ATOM 1445 C ILE A 95 7.914 -0.215 -3.855 1.00 0.00 C ATOM 1446 O ILE A 95 7.108 0.573 -3.361 1.00 0.00 O ATOM 1447 CB ILE A 95 7.239 -2.568 -4.471 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.254 -1.759 -5.325 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.512 -3.721 -3.794 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.821 -1.320 -6.657 1.00 0.00 C ATOM 0 H ILE A 95 6.471 -1.318 -1.964 1.00 0.00 H new ATOM 0 HA ILE A 95 8.979 -2.005 -3.342 1.00 0.00 H new ATOM 0 HB ILE A 95 8.010 -2.967 -5.130 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.361 -2.359 -5.500 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.941 -0.878 -4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.023 -4.337 -4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.228 -4.327 -3.239 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.763 -3.326 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.067 -0.754 -7.204 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.697 -0.693 -6.491 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.108 -2.197 -7.237 1.00 0.00 H new ATOM 1462 N GLN A 96 8.807 0.146 -4.772 1.00 0.00 N ATOM 1463 CA GLN A 96 8.879 1.516 -5.263 1.00 0.00 C ATOM 1464 C GLN A 96 9.478 1.569 -6.667 1.00 0.00 C ATOM 1465 O GLN A 96 10.088 0.605 -7.128 1.00 0.00 O ATOM 1466 CB GLN A 96 9.717 2.372 -4.311 1.00 0.00 C ATOM 1467 CG GLN A 96 11.194 2.012 -4.315 1.00 0.00 C ATOM 1468 CD GLN A 96 11.711 1.643 -2.938 1.00 0.00 C ATOM 1469 OE1 GLN A 96 10.982 1.086 -2.117 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.976 1.951 -2.678 1.00 0.00 N ATOM 0 H GLN A 96 9.488 -0.489 -5.188 1.00 0.00 H new ATOM 0 HA GLN A 96 7.864 1.911 -5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.606 3.421 -4.585 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.327 2.264 -3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.358 1.177 -4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.768 2.855 -4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 96 13.545 2.413 -3.388 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.379 1.726 -1.768 1.00 0.00 H new ATOM 1479 N LYS A 97 9.331 2.715 -7.328 1.00 0.00 N ATOM 1480 CA LYS A 97 9.878 2.901 -8.668 1.00 0.00 C ATOM 1481 C LYS A 97 10.813 4.107 -8.709 1.00 0.00 C ATOM 1482 O LYS A 97 10.419 5.177 -8.200 1.00 0.00 O ATOM 1483 CB LYS A 97 8.752 3.082 -9.688 1.00 0.00 C ATOM 1484 CG LYS A 97 9.232 3.558 -11.050 1.00 0.00 C ATOM 1485 CD LYS A 97 8.808 2.608 -12.157 1.00 0.00 C ATOM 1486 CE LYS A 97 9.654 2.792 -13.406 1.00 0.00 C ATOM 1487 NZ LYS A 97 11.109 2.842 -13.091 1.00 0.00 N ATOM 1488 OXT LYS A 97 11.928 3.971 -9.253 1.00 0.00 O ATOM 0 H LYS A 97 8.838 3.527 -6.957 1.00 0.00 H new ATOM 0 HA LYS A 97 10.448 2.008 -8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.227 2.134 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.030 3.799 -9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.832 4.552 -11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.318 3.647 -11.043 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.894 1.579 -11.807 1.00 0.00 H new ATOM 0 HD3 LYS A 97 7.759 2.776 -12.399 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.461 1.973 -14.099 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.360 3.712 -13.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.657 2.798 -13.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.326 3.729 -12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.361 2.034 -12.486 1.00 0.00 H new