USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 947 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 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 115 LYS NZ :NH3+ 133:sc= 0.578 (180deg=-0.315) USER MOD Set 2.1: A 113 SER OG : rot -10:sc= -5.01! USER MOD Set 2.2: A 116 HIS : no HE2:sc= -13! C(o=-18!,f=-27!) USER MOD Set 3.1: A 31 SER OG : rot 138:sc= 0.539! USER MOD Set 3.2: A 108 TYR OH : rot -68:sc= 0.829 USER MOD Set 4.1: A 55 HIS : no HE2:sc= -15.3! C(o=-16!,f=-28!) USER MOD Set 4.2: A 57 GLN : amide:sc= -0.693! C(o=-16!,f=-26!) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= -4.93 (180deg=-5.19!) USER MOD Single : A 29 TYR OH : rot -105:sc= 0.36 USER MOD Single : A 30 CYS SG : rot -1:sc= 0.398 USER MOD Single : A 35 HIS : no HE2:sc= -6.46! C(o=-6.5!,f=-13!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -34:sc= -5.08! USER MOD Single : A 52 SER OG : rot -69:sc= 1.12 USER MOD Single : A 54 GLN : amide:sc= -5.1! C(o=-5.1!,f=-0.52!) USER MOD Single : A 59 GLN : amide:sc= -4.49! C(o=-4.5!,f=-7.8!) USER MOD Single : A 61 SER OG : rot -60:sc= 0.907 USER MOD Single : A 64 SER OG : rot 84:sc= 1.05 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= -9.63! (180deg=-10.9!) USER MOD Single : A 72 SER OG : rot -10:sc= -2! USER MOD Single : A 73 THR OG1 : rot -171:sc= -0.451 USER MOD Single : A 75 THR OG1 : rot -74:sc= 1.11 USER MOD Single : A 77 GLN : amide:sc= -3.8! C(o=-3.8!,f=-7.1!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -164:sc= -6.96! (180deg=-7.38!) USER MOD Single : A 88 TYR OH : rot -68:sc= -2.14! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot 63:sc= 0.925 USER MOD Single : A 94 ASN : amide:sc= -7.97! C(o=-8!,f=-5.5!) USER MOD Single : A 97 CYS SG : rot 39:sc= -0.904 USER MOD Single : A 106 ASN : amide:sc=-0.00441 X(o=-0.0044,f=-0.12) USER MOD Single : A 107 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-3!) USER MOD Single : A 109 ASN : amide:sc= -2.47! C(o=-2.5!,f=-3.2!) USER MOD Single : A 110 THR OG1 : rot 140:sc= -1.87! USER MOD Single : A 111 TYR OH : rot 15:sc= -2.11! USER MOD Single : A 114 LYS NZ :NH3+ -117:sc= -0.304 (180deg=-2.15) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.415 X(o=-0.41,f=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.12) USER MOD Single : A 130 SER OG : rot 79:sc= 1 USER MOD Single : A 131 CYS SG : rot 150:sc= -0.239 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot -152:sc= 1.15 USER MOD Single : A 138 HIS : no HD1:sc= -3.66! C(o=-3.7!,f=-6.3!) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 26 -7.995 -7.135 9.991 1.00 0.00 N ATOM 38 CA LYS A 26 -7.309 -6.991 8.718 1.00 0.00 C ATOM 39 C LYS A 26 -5.997 -6.235 8.934 1.00 0.00 C ATOM 40 O LYS A 26 -5.952 -5.264 9.688 1.00 0.00 O ATOM 41 CB LYS A 26 -8.231 -6.342 7.684 1.00 0.00 C ATOM 42 CG LYS A 26 -7.429 -5.506 6.683 1.00 0.00 C ATOM 43 CD LYS A 26 -6.558 -6.399 5.797 1.00 0.00 C ATOM 44 CE LYS A 26 -5.219 -5.727 5.489 1.00 0.00 C ATOM 45 NZ LYS A 26 -4.302 -6.678 4.823 1.00 0.00 N ATOM 0 HA LYS A 26 -7.050 -7.968 8.311 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.789 -7.114 7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.962 -5.710 8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.110 -4.924 6.062 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.800 -4.795 7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.384 -7.353 6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.082 -6.616 4.866 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.380 -4.859 4.849 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.767 -5.363 6.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.468 -6.167 4.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.001 -7.404 5.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.792 -7.133 4.026 1.00 0.00 H new ATOM 59 N LEU A 27 -4.961 -6.707 8.257 1.00 0.00 N ATOM 60 CA LEU A 27 -3.651 -6.088 8.364 1.00 0.00 C ATOM 61 C LEU A 27 -2.741 -6.634 7.262 1.00 0.00 C ATOM 62 O LEU A 27 -2.545 -7.844 7.158 1.00 0.00 O ATOM 63 CB LEU A 27 -3.086 -6.270 9.775 1.00 0.00 C ATOM 64 CG LEU A 27 -2.109 -7.432 9.961 1.00 0.00 C ATOM 65 CD1 LEU A 27 -0.706 -7.050 9.483 1.00 0.00 C ATOM 66 CD2 LEU A 27 -2.107 -7.919 11.411 1.00 0.00 C ATOM 0 H LEU A 27 -5.002 -7.512 7.632 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.725 -5.011 8.211 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.582 -5.348 10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.919 -6.408 10.464 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.445 -8.264 9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.031 -7.893 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.741 -6.788 8.425 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.346 -6.196 10.057 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.404 -8.745 11.516 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.808 -7.103 12.069 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.107 -8.256 11.683 1.00 0.00 H new ATOM 78 N LEU A 28 -2.210 -5.716 6.468 1.00 0.00 N ATOM 79 CA LEU A 28 -1.325 -6.091 5.378 1.00 0.00 C ATOM 80 C LEU A 28 0.055 -6.433 5.942 1.00 0.00 C ATOM 81 O LEU A 28 0.476 -5.866 6.949 1.00 0.00 O ATOM 82 CB LEU A 28 -1.299 -4.997 4.309 1.00 0.00 C ATOM 83 CG LEU A 28 -1.644 -5.441 2.886 1.00 0.00 C ATOM 84 CD1 LEU A 28 -1.318 -4.341 1.874 1.00 0.00 C ATOM 85 CD2 LEU A 28 -0.951 -6.761 2.541 1.00 0.00 C ATOM 0 H LEU A 28 -2.375 -4.714 6.558 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.695 -6.985 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.997 -4.213 4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.305 -4.551 4.298 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.718 -5.618 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.573 -4.683 0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.895 -3.447 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.254 -4.109 1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.213 -7.054 1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.129 -6.635 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.275 -7.535 3.237 1.00 0.00 H new ATOM 97 N TYR A 29 0.722 -7.358 5.268 1.00 0.00 N ATOM 98 CA TYR A 29 2.047 -7.782 5.689 1.00 0.00 C ATOM 99 C TYR A 29 2.988 -7.913 4.489 1.00 0.00 C ATOM 100 O TYR A 29 2.578 -8.364 3.421 1.00 0.00 O ATOM 101 CB TYR A 29 1.864 -9.159 6.331 1.00 0.00 C ATOM 102 CG TYR A 29 3.112 -10.042 6.274 1.00 0.00 C ATOM 103 CD1 TYR A 29 4.199 -9.753 7.074 1.00 0.00 C ATOM 104 CD2 TYR A 29 3.151 -11.129 5.424 1.00 0.00 C ATOM 105 CE1 TYR A 29 5.374 -10.584 7.021 1.00 0.00 C ATOM 106 CE2 TYR A 29 4.325 -11.960 5.371 1.00 0.00 C ATOM 107 CZ TYR A 29 5.379 -11.647 6.172 1.00 0.00 C ATOM 108 OH TYR A 29 6.488 -12.432 6.122 1.00 0.00 O ATOM 0 H TYR A 29 0.370 -7.826 4.433 1.00 0.00 H new ATOM 0 HA TYR A 29 2.483 -7.055 6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.572 -9.027 7.373 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.043 -9.675 5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.168 -8.903 7.740 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.300 -11.356 4.799 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.232 -10.368 7.641 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.368 -12.813 4.710 1.00 0.00 H new ATOM 0 HH TYR A 29 6.989 -12.239 5.302 1.00 0.00 H new ATOM 118 N CYS A 30 4.231 -7.511 4.707 1.00 0.00 N ATOM 119 CA CYS A 30 5.234 -7.577 3.657 1.00 0.00 C ATOM 120 C CYS A 30 5.671 -9.035 3.502 1.00 0.00 C ATOM 121 O CYS A 30 5.746 -9.772 4.484 1.00 0.00 O ATOM 122 CB CYS A 30 6.419 -6.654 3.948 1.00 0.00 C ATOM 123 SG CYS A 30 6.074 -4.973 3.310 1.00 0.00 S ATOM 0 H CYS A 30 4.567 -7.138 5.595 1.00 0.00 H new ATOM 0 HA CYS A 30 4.806 -7.225 2.718 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.604 -6.614 5.021 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.322 -7.050 3.483 1.00 0.00 H new ATOM 0 HG CYS A 30 4.911 -4.959 2.729 1.00 0.00 H new ATOM 129 N SER A 31 5.947 -9.407 2.261 1.00 0.00 N ATOM 130 CA SER A 31 6.375 -10.764 1.965 1.00 0.00 C ATOM 131 C SER A 31 7.773 -11.009 2.535 1.00 0.00 C ATOM 132 O SER A 31 7.926 -11.714 3.531 1.00 0.00 O ATOM 133 CB SER A 31 6.363 -11.028 0.458 1.00 0.00 C ATOM 134 OG SER A 31 6.191 -12.411 0.159 1.00 0.00 O ATOM 0 H SER A 31 5.883 -8.793 1.449 1.00 0.00 H new ATOM 0 HA SER A 31 5.673 -11.454 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.559 -10.455 -0.004 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.298 -10.676 0.021 1.00 0.00 H new ATOM 0 HG SER A 31 5.566 -12.509 -0.590 1.00 0.00 H new ATOM 168 N HIS A 35 7.984 -5.863 6.809 1.00 0.00 N ATOM 169 CA HIS A 35 7.374 -4.642 7.308 1.00 0.00 C ATOM 170 C HIS A 35 5.852 -4.744 7.190 1.00 0.00 C ATOM 171 O HIS A 35 5.335 -5.643 6.529 1.00 0.00 O ATOM 172 CB HIS A 35 7.943 -3.417 6.589 1.00 0.00 C ATOM 173 CG HIS A 35 9.380 -3.112 6.939 1.00 0.00 C ATOM 174 ND1 HIS A 35 10.412 -4.007 6.719 1.00 0.00 N ATOM 175 CD2 HIS A 35 9.945 -2.002 7.495 1.00 0.00 C ATOM 176 CE1 HIS A 35 11.543 -3.451 7.129 1.00 0.00 C ATOM 177 NE2 HIS A 35 11.251 -2.209 7.610 1.00 0.00 N ATOM 0 HA HIS A 35 7.615 -4.516 8.364 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.867 -3.572 5.513 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.329 -2.549 6.830 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.318 -4.937 6.311 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.419 -1.107 7.791 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.523 -3.902 7.089 1.00 0.00 H new ATOM 185 N PHE A 36 5.176 -3.809 7.843 1.00 0.00 N ATOM 186 CA PHE A 36 3.724 -3.782 7.820 1.00 0.00 C ATOM 187 C PHE A 36 3.205 -2.366 7.562 1.00 0.00 C ATOM 188 O PHE A 36 3.085 -1.567 8.489 1.00 0.00 O ATOM 189 CB PHE A 36 3.246 -4.244 9.199 1.00 0.00 C ATOM 190 CG PHE A 36 3.507 -5.724 9.484 1.00 0.00 C ATOM 191 CD1 PHE A 36 4.718 -6.123 9.958 1.00 0.00 C ATOM 192 CD2 PHE A 36 2.528 -6.642 9.264 1.00 0.00 C ATOM 193 CE1 PHE A 36 4.960 -7.497 10.223 1.00 0.00 C ATOM 194 CE2 PHE A 36 2.769 -8.016 9.529 1.00 0.00 C ATOM 195 CZ PHE A 36 3.980 -8.414 10.003 1.00 0.00 C ATOM 0 H PHE A 36 5.608 -3.065 8.391 1.00 0.00 H new ATOM 0 HA PHE A 36 3.353 -4.427 7.023 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.741 -3.645 9.963 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.177 -4.051 9.285 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.496 -5.394 10.133 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.566 -6.326 8.887 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.922 -7.814 10.599 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.991 -8.745 9.354 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.164 -9.459 10.205 1.00 0.00 H new ATOM 205 N LEU A 37 2.912 -2.099 6.298 1.00 0.00 N ATOM 206 CA LEU A 37 2.410 -0.793 5.906 1.00 0.00 C ATOM 207 C LEU A 37 1.534 -0.231 7.028 1.00 0.00 C ATOM 208 O LEU A 37 0.879 -0.985 7.746 1.00 0.00 O ATOM 209 CB LEU A 37 1.699 -0.877 4.554 1.00 0.00 C ATOM 210 CG LEU A 37 2.319 -0.060 3.418 1.00 0.00 C ATOM 211 CD1 LEU A 37 1.690 -0.425 2.073 1.00 0.00 C ATOM 212 CD2 LEU A 37 2.224 1.440 3.707 1.00 0.00 C ATOM 0 H LEU A 37 3.013 -2.765 5.532 1.00 0.00 H new ATOM 0 HA LEU A 37 3.234 -0.094 5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.667 -1.922 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.667 -0.552 4.688 1.00 0.00 H new ATOM 0 HG LEU A 37 3.378 -0.310 3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.149 0.170 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.853 -1.484 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.620 -0.222 2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.672 1.998 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.177 1.725 3.811 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.756 1.667 4.631 1.00 0.00 H new ATOM 224 N ARG A 38 1.551 1.089 7.143 1.00 0.00 N ATOM 225 CA ARG A 38 0.766 1.761 8.164 1.00 0.00 C ATOM 226 C ARG A 38 0.275 3.116 7.651 1.00 0.00 C ATOM 227 O ARG A 38 0.973 3.786 6.892 1.00 0.00 O ATOM 228 CB ARG A 38 1.587 1.973 9.438 1.00 0.00 C ATOM 229 CG ARG A 38 2.737 2.953 9.192 1.00 0.00 C ATOM 230 CD ARG A 38 3.254 3.533 10.510 1.00 0.00 C ATOM 231 NE ARG A 38 3.618 2.437 11.437 1.00 0.00 N ATOM 232 CZ ARG A 38 4.372 2.599 12.533 1.00 0.00 C ATOM 233 NH1 ARG A 38 4.846 3.813 12.846 1.00 0.00 N ATOM 234 NH2 ARG A 38 4.651 1.548 13.315 1.00 0.00 N ATOM 0 H ARG A 38 2.096 1.711 6.546 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.089 1.126 8.397 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.943 2.354 10.231 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.985 1.018 9.782 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.548 2.444 8.671 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.399 3.761 8.543 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.122 4.166 10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.490 4.165 10.963 1.00 0.00 H new ATOM 0 HE ARG A 38 3.273 1.500 11.228 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.633 4.613 12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.420 3.937 13.680 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.290 0.625 13.076 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.225 1.671 14.149 1.00 0.00 H new ATOM 248 N ILE A 39 -0.924 3.478 8.085 1.00 0.00 N ATOM 249 CA ILE A 39 -1.517 4.740 7.679 1.00 0.00 C ATOM 250 C ILE A 39 -1.916 5.535 8.923 1.00 0.00 C ATOM 251 O ILE A 39 -2.729 5.076 9.724 1.00 0.00 O ATOM 252 CB ILE A 39 -2.673 4.500 6.706 1.00 0.00 C ATOM 253 CG1 ILE A 39 -2.403 5.172 5.358 1.00 0.00 C ATOM 254 CG2 ILE A 39 -4.003 4.949 7.314 1.00 0.00 C ATOM 255 CD1 ILE A 39 -1.426 4.346 4.519 1.00 0.00 C ATOM 0 H ILE A 39 -1.500 2.919 8.714 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.791 5.344 7.134 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.748 3.428 6.522 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.340 5.295 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.995 6.170 5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.808 4.768 6.602 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.193 4.387 8.228 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.956 6.013 7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -1.252 4.846 3.566 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.482 4.245 5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.848 3.357 4.338 1.00 0.00 H new ATOM 267 N LEU A 40 -1.325 6.715 9.047 1.00 0.00 N ATOM 268 CA LEU A 40 -1.608 7.578 10.181 1.00 0.00 C ATOM 269 C LEU A 40 -2.836 8.436 9.869 1.00 0.00 C ATOM 270 O LEU A 40 -3.019 8.875 8.735 1.00 0.00 O ATOM 271 CB LEU A 40 -0.369 8.392 10.558 1.00 0.00 C ATOM 272 CG LEU A 40 0.979 7.701 10.343 1.00 0.00 C ATOM 273 CD1 LEU A 40 2.091 8.726 10.115 1.00 0.00 C ATOM 274 CD2 LEU A 40 1.300 6.754 11.502 1.00 0.00 C ATOM 0 H LEU A 40 -0.652 7.093 8.381 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.849 6.983 11.062 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.377 9.317 9.981 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.448 8.671 11.609 1.00 0.00 H new ATOM 0 HG LEU A 40 0.912 7.094 9.440 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.038 8.208 9.965 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.860 9.323 9.233 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.168 9.379 10.985 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.263 6.275 11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.342 7.319 12.433 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.524 5.992 11.575 1.00 0.00 H new ATOM 286 N PRO A 41 -3.668 8.654 10.923 1.00 0.00 N ATOM 287 CA PRO A 41 -4.873 9.452 10.772 1.00 0.00 C ATOM 288 C PRO A 41 -4.537 10.942 10.684 1.00 0.00 C ATOM 289 O PRO A 41 -5.432 11.786 10.709 1.00 0.00 O ATOM 290 CB PRO A 41 -5.727 9.106 11.981 1.00 0.00 C ATOM 291 CG PRO A 41 -4.781 8.488 12.997 1.00 0.00 C ATOM 292 CD PRO A 41 -3.484 8.150 12.280 1.00 0.00 C ATOM 0 HA PRO A 41 -5.408 9.235 9.847 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.208 9.996 12.387 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.521 8.409 11.712 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.595 9.182 13.817 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.221 7.591 13.433 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.629 8.621 12.765 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.299 7.076 12.282 1.00 0.00 H new ATOM 300 N ASP A 42 -3.246 11.220 10.582 1.00 0.00 N ATOM 301 CA ASP A 42 -2.781 12.593 10.490 1.00 0.00 C ATOM 302 C ASP A 42 -2.675 12.994 9.018 1.00 0.00 C ATOM 303 O ASP A 42 -2.799 14.170 8.680 1.00 0.00 O ATOM 304 CB ASP A 42 -1.397 12.750 11.123 1.00 0.00 C ATOM 305 CG ASP A 42 -1.391 13.385 12.515 1.00 0.00 C ATOM 306 OD1 ASP A 42 -1.884 14.529 12.619 1.00 0.00 O ATOM 307 OD2 ASP A 42 -0.892 12.713 13.444 1.00 0.00 O ATOM 0 H ASP A 42 -2.507 10.517 10.561 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.494 13.226 11.019 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.929 11.767 11.186 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.778 13.356 10.461 1.00 0.00 H new ATOM 312 N GLY A 43 -2.446 11.993 8.180 1.00 0.00 N ATOM 313 CA GLY A 43 -2.322 12.226 6.751 1.00 0.00 C ATOM 314 C GLY A 43 -0.957 11.763 6.237 1.00 0.00 C ATOM 315 O GLY A 43 -0.578 12.072 5.108 1.00 0.00 O ATOM 0 H GLY A 43 -2.343 11.019 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.113 11.695 6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.454 13.287 6.539 1.00 0.00 H new ATOM 319 N THR A 44 -0.256 11.031 7.090 1.00 0.00 N ATOM 320 CA THR A 44 1.059 10.523 6.736 1.00 0.00 C ATOM 321 C THR A 44 1.065 8.994 6.765 1.00 0.00 C ATOM 322 O THR A 44 0.592 8.385 7.724 1.00 0.00 O ATOM 323 CB THR A 44 2.080 11.153 7.684 1.00 0.00 C ATOM 324 OG1 THR A 44 2.495 12.338 7.010 1.00 0.00 O ATOM 325 CG2 THR A 44 3.360 10.324 7.801 1.00 0.00 C ATOM 0 H THR A 44 -0.574 10.777 8.026 1.00 0.00 H new ATOM 0 HA THR A 44 1.328 10.798 5.716 1.00 0.00 H new ATOM 0 HB THR A 44 1.633 11.272 8.671 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.157 12.810 7.556 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.051 10.816 8.486 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.117 9.332 8.181 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.825 10.233 6.820 1.00 0.00 H new ATOM 333 N VAL A 45 1.606 8.416 5.703 1.00 0.00 N ATOM 334 CA VAL A 45 1.680 6.969 5.594 1.00 0.00 C ATOM 335 C VAL A 45 3.133 6.522 5.770 1.00 0.00 C ATOM 336 O VAL A 45 4.052 7.336 5.679 1.00 0.00 O ATOM 337 CB VAL A 45 1.071 6.511 4.268 1.00 0.00 C ATOM 338 CG1 VAL A 45 1.068 7.649 3.244 1.00 0.00 C ATOM 339 CG2 VAL A 45 1.804 5.284 3.722 1.00 0.00 C ATOM 0 H VAL A 45 1.998 8.924 4.910 1.00 0.00 H new ATOM 0 HA VAL A 45 1.096 6.497 6.384 1.00 0.00 H new ATOM 0 HB VAL A 45 0.036 6.226 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.630 7.297 2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.481 8.483 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.091 7.978 3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.351 4.979 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.853 5.530 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.731 4.467 4.440 1.00 0.00 H new ATOM 349 N ASP A 46 3.296 5.231 6.018 1.00 0.00 N ATOM 350 CA ASP A 46 4.622 4.667 6.208 1.00 0.00 C ATOM 351 C ASP A 46 4.497 3.171 6.505 1.00 0.00 C ATOM 352 O ASP A 46 3.396 2.623 6.497 1.00 0.00 O ATOM 353 CB ASP A 46 5.337 5.325 7.389 1.00 0.00 C ATOM 354 CG ASP A 46 4.484 6.305 8.197 1.00 0.00 C ATOM 355 OD1 ASP A 46 3.307 5.963 8.444 1.00 0.00 O ATOM 356 OD2 ASP A 46 5.028 7.373 8.550 1.00 0.00 O ATOM 0 H ASP A 46 2.532 4.559 6.092 1.00 0.00 H new ATOM 0 HA ASP A 46 5.196 4.841 5.298 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.697 4.543 8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.214 5.853 7.015 1.00 0.00 H new ATOM 361 N GLY A 47 5.641 2.554 6.760 1.00 0.00 N ATOM 362 CA GLY A 47 5.674 1.132 7.059 1.00 0.00 C ATOM 363 C GLY A 47 6.268 0.877 8.445 1.00 0.00 C ATOM 364 O GLY A 47 6.643 1.816 9.146 1.00 0.00 O ATOM 0 H GLY A 47 6.552 3.012 6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.665 0.723 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.265 0.612 6.305 1.00 0.00 H new ATOM 368 N THR A 48 6.335 -0.398 8.800 1.00 0.00 N ATOM 369 CA THR A 48 6.878 -0.788 10.090 1.00 0.00 C ATOM 370 C THR A 48 7.374 -2.235 10.045 1.00 0.00 C ATOM 371 O THR A 48 6.616 -3.145 9.711 1.00 0.00 O ATOM 372 CB THR A 48 5.799 -0.549 11.148 1.00 0.00 C ATOM 373 OG1 THR A 48 5.460 0.826 10.993 1.00 0.00 O ATOM 374 CG2 THR A 48 6.347 -0.639 12.574 1.00 0.00 C ATOM 0 H THR A 48 6.022 -1.174 8.217 1.00 0.00 H new ATOM 0 HA THR A 48 7.749 -0.187 10.350 1.00 0.00 H new ATOM 0 HB THR A 48 4.998 -1.277 11.020 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.259 1.333 10.739 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.541 -0.462 13.286 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.766 -1.631 12.741 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.125 0.112 12.713 1.00 0.00 H new ATOM 382 N ARG A 49 8.643 -2.403 10.384 1.00 0.00 N ATOM 383 CA ARG A 49 9.250 -3.723 10.386 1.00 0.00 C ATOM 384 C ARG A 49 8.320 -4.733 11.063 1.00 0.00 C ATOM 385 O ARG A 49 8.392 -5.929 10.789 1.00 0.00 O ATOM 386 CB ARG A 49 10.595 -3.710 11.115 1.00 0.00 C ATOM 387 CG ARG A 49 11.369 -5.005 10.860 1.00 0.00 C ATOM 388 CD ARG A 49 12.782 -4.923 11.441 1.00 0.00 C ATOM 389 NE ARG A 49 13.368 -6.279 11.538 1.00 0.00 N ATOM 390 CZ ARG A 49 13.184 -7.105 12.577 1.00 0.00 C ATOM 391 NH1 ARG A 49 12.428 -6.719 13.613 1.00 0.00 N ATOM 392 NH2 ARG A 49 13.756 -8.317 12.579 1.00 0.00 N ATOM 0 H ARG A 49 9.269 -1.646 10.660 1.00 0.00 H new ATOM 0 HA ARG A 49 9.415 -4.014 9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.186 -2.857 10.781 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.431 -3.585 12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.837 -5.845 11.306 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.423 -5.195 9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.408 -4.292 10.810 1.00 0.00 H new ATOM 0 HD3 ARG A 49 12.753 -4.459 12.427 1.00 0.00 H new ATOM 0 HE ARG A 49 13.948 -6.605 10.765 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.993 -5.797 13.611 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.288 -7.347 14.404 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.331 -8.611 11.790 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.616 -8.946 13.370 1.00 0.00 H new ATOM 406 N ASP A 50 7.468 -4.213 11.935 1.00 0.00 N ATOM 407 CA ASP A 50 6.526 -5.054 12.653 1.00 0.00 C ATOM 408 C ASP A 50 5.273 -4.241 12.984 1.00 0.00 C ATOM 409 O ASP A 50 5.366 -3.154 13.553 1.00 0.00 O ATOM 410 CB ASP A 50 7.126 -5.554 13.968 1.00 0.00 C ATOM 411 CG ASP A 50 7.566 -7.019 13.962 1.00 0.00 C ATOM 412 OD1 ASP A 50 6.703 -7.873 14.261 1.00 0.00 O ATOM 413 OD2 ASP A 50 8.756 -7.253 13.659 1.00 0.00 O ATOM 0 H ASP A 50 7.411 -3.220 12.160 1.00 0.00 H new ATOM 0 HA ASP A 50 6.284 -5.907 12.019 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.986 -4.933 14.217 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.392 -5.414 14.761 1.00 0.00 H new ATOM 418 N ARG A 51 4.129 -4.798 12.613 1.00 0.00 N ATOM 419 CA ARG A 51 2.859 -4.139 12.863 1.00 0.00 C ATOM 420 C ARG A 51 2.711 -3.820 14.352 1.00 0.00 C ATOM 421 O ARG A 51 2.616 -4.727 15.178 1.00 0.00 O ATOM 422 CB ARG A 51 1.687 -5.014 12.417 1.00 0.00 C ATOM 423 CG ARG A 51 1.674 -6.342 13.176 1.00 0.00 C ATOM 424 CD ARG A 51 1.602 -7.526 12.209 1.00 0.00 C ATOM 425 NE ARG A 51 0.604 -8.509 12.686 1.00 0.00 N ATOM 426 CZ ARG A 51 0.610 -9.807 12.352 1.00 0.00 C ATOM 427 NH1 ARG A 51 1.562 -10.286 11.539 1.00 0.00 N ATOM 428 NH2 ARG A 51 -0.335 -10.627 12.832 1.00 0.00 N ATOM 0 H ARG A 51 4.056 -5.699 12.141 1.00 0.00 H new ATOM 0 HA ARG A 51 2.846 -3.214 12.287 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.749 -4.485 12.586 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.757 -5.204 11.346 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.571 -6.423 13.789 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.821 -6.369 13.854 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.333 -7.176 11.212 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.580 -7.999 12.127 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.134 -8.178 13.307 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.282 -9.663 11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.566 -11.274 11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.059 -10.263 13.452 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.330 -11.615 12.578 1.00 0.00 H new ATOM 442 N SER A 52 2.696 -2.529 14.650 1.00 0.00 N ATOM 443 CA SER A 52 2.561 -2.080 16.025 1.00 0.00 C ATOM 444 C SER A 52 2.570 -0.551 16.079 1.00 0.00 C ATOM 445 O SER A 52 3.517 0.051 16.582 1.00 0.00 O ATOM 446 CB SER A 52 3.678 -2.648 16.903 1.00 0.00 C ATOM 447 OG SER A 52 3.958 -1.809 18.020 1.00 0.00 O ATOM 0 H SER A 52 2.775 -1.780 13.962 1.00 0.00 H new ATOM 0 HA SER A 52 1.610 -2.446 16.412 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.393 -3.639 17.256 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.582 -2.770 16.306 1.00 0.00 H new ATOM 0 HG SER A 52 4.373 -0.978 17.709 1.00 0.00 H new ATOM 453 N ASP A 53 1.503 0.035 15.554 1.00 0.00 N ATOM 454 CA ASP A 53 1.376 1.482 15.536 1.00 0.00 C ATOM 455 C ASP A 53 -0.053 1.869 15.919 1.00 0.00 C ATOM 456 O ASP A 53 -0.846 1.016 16.315 1.00 0.00 O ATOM 457 CB ASP A 53 1.660 2.042 14.141 1.00 0.00 C ATOM 458 CG ASP A 53 2.253 3.453 14.119 1.00 0.00 C ATOM 459 OD1 ASP A 53 3.045 3.750 15.039 1.00 0.00 O ATOM 460 OD2 ASP A 53 1.900 4.202 13.183 1.00 0.00 O ATOM 0 H ASP A 53 0.719 -0.467 15.138 1.00 0.00 H new ATOM 0 HA ASP A 53 2.097 1.893 16.243 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.346 1.368 13.628 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.731 2.046 13.571 1.00 0.00 H new ATOM 465 N GLN A 54 -0.339 3.156 15.788 1.00 0.00 N ATOM 466 CA GLN A 54 -1.660 3.666 16.116 1.00 0.00 C ATOM 467 C GLN A 54 -2.733 2.901 15.339 1.00 0.00 C ATOM 468 O GLN A 54 -3.757 2.517 15.902 1.00 0.00 O ATOM 469 CB GLN A 54 -1.750 5.169 15.841 1.00 0.00 C ATOM 470 CG GLN A 54 -1.035 5.970 16.931 1.00 0.00 C ATOM 471 CD GLN A 54 0.426 5.534 17.062 1.00 0.00 C ATOM 472 OE1 GLN A 54 0.934 5.297 18.145 1.00 0.00 O ATOM 473 NE2 GLN A 54 1.069 5.443 15.902 1.00 0.00 N ATOM 0 H GLN A 54 0.321 3.861 15.459 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.833 3.513 17.181 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.306 5.392 14.871 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -2.796 5.471 15.790 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.081 7.033 16.696 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.546 5.832 17.884 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.583 5.656 15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.049 5.160 15.883 1.00 0.00 H new ATOM 482 N HIS A 55 -2.461 2.702 14.058 1.00 0.00 N ATOM 483 CA HIS A 55 -3.390 1.989 13.198 1.00 0.00 C ATOM 484 C HIS A 55 -2.756 1.775 11.822 1.00 0.00 C ATOM 485 O HIS A 55 -2.762 2.677 10.985 1.00 0.00 O ATOM 486 CB HIS A 55 -4.732 2.720 13.124 1.00 0.00 C ATOM 487 CG HIS A 55 -5.842 2.046 13.896 1.00 0.00 C ATOM 488 ND1 HIS A 55 -6.387 0.832 13.519 1.00 0.00 N ATOM 489 CD2 HIS A 55 -6.500 2.429 15.028 1.00 0.00 C ATOM 490 CE1 HIS A 55 -7.331 0.509 14.390 1.00 0.00 C ATOM 491 NE2 HIS A 55 -7.400 1.500 15.325 1.00 0.00 N ATOM 0 H HIS A 55 -1.611 3.022 13.595 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.599 1.006 13.620 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.603 3.734 13.503 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.030 2.806 12.079 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.109 0.279 12.708 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.319 3.335 15.588 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.940 -0.383 14.365 1.00 0.00 H new ATOM 499 N ILE A 56 -2.224 0.577 11.631 1.00 0.00 N ATOM 500 CA ILE A 56 -1.586 0.234 10.371 1.00 0.00 C ATOM 501 C ILE A 56 -2.545 -0.615 9.534 1.00 0.00 C ATOM 502 O ILE A 56 -2.148 -1.193 8.524 1.00 0.00 O ATOM 503 CB ILE A 56 -0.232 -0.434 10.621 1.00 0.00 C ATOM 504 CG1 ILE A 56 -0.368 -1.958 10.644 1.00 0.00 C ATOM 505 CG2 ILE A 56 0.417 0.103 11.898 1.00 0.00 C ATOM 506 CD1 ILE A 56 -1.414 -2.400 11.669 1.00 0.00 C ATOM 0 H ILE A 56 -2.221 -0.168 12.327 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.370 1.134 9.795 1.00 0.00 H new ATOM 0 HB ILE A 56 0.431 -0.183 9.793 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.650 -2.316 9.654 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.595 -2.409 10.884 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.378 -0.388 12.052 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.570 1.178 11.804 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.234 -0.098 12.749 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.491 -3.487 11.665 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.117 -2.061 12.661 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.381 -1.967 11.412 1.00 0.00 H new ATOM 518 N GLN A 57 -3.790 -0.664 9.986 1.00 0.00 N ATOM 519 CA GLN A 57 -4.809 -1.432 9.292 1.00 0.00 C ATOM 520 C GLN A 57 -4.898 -0.995 7.828 1.00 0.00 C ATOM 521 O GLN A 57 -4.985 0.197 7.537 1.00 0.00 O ATOM 522 CB GLN A 57 -6.165 -1.299 9.987 1.00 0.00 C ATOM 523 CG GLN A 57 -6.392 -2.448 10.971 1.00 0.00 C ATOM 524 CD GLN A 57 -6.019 -2.031 12.396 1.00 0.00 C ATOM 525 OE1 GLN A 57 -5.186 -1.169 12.620 1.00 0.00 O ATOM 526 NE2 GLN A 57 -6.682 -2.690 13.343 1.00 0.00 N ATOM 0 H GLN A 57 -4.116 -0.184 10.825 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.525 -2.484 9.321 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.215 -0.347 10.516 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.960 -1.291 9.242 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.437 -2.757 10.940 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.796 -3.310 10.673 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.367 -3.401 13.086 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.505 -2.485 14.326 1.00 0.00 H new ATOM 535 N LEU A 58 -4.873 -1.983 6.946 1.00 0.00 N ATOM 536 CA LEU A 58 -4.950 -1.715 5.520 1.00 0.00 C ATOM 537 C LEU A 58 -6.073 -2.555 4.907 1.00 0.00 C ATOM 538 O LEU A 58 -6.735 -3.319 5.608 1.00 0.00 O ATOM 539 CB LEU A 58 -3.587 -1.935 4.859 1.00 0.00 C ATOM 540 CG LEU A 58 -2.660 -0.719 4.815 1.00 0.00 C ATOM 541 CD1 LEU A 58 -1.523 -0.933 3.814 1.00 0.00 C ATOM 542 CD2 LEU A 58 -3.447 0.561 4.523 1.00 0.00 C ATOM 0 H LEU A 58 -4.801 -2.970 7.191 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.200 -0.669 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.075 -2.739 5.387 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.752 -2.279 3.838 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.206 -0.600 5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.879 -0.054 3.802 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.940 -1.806 4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.939 -1.091 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.764 1.410 4.497 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.947 0.469 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.191 0.717 5.304 1.00 0.00 H new ATOM 554 N GLN A 59 -6.253 -2.385 3.606 1.00 0.00 N ATOM 555 CA GLN A 59 -7.284 -3.117 2.891 1.00 0.00 C ATOM 556 C GLN A 59 -7.270 -2.743 1.408 1.00 0.00 C ATOM 557 O GLN A 59 -6.941 -1.612 1.052 1.00 0.00 O ATOM 558 CB GLN A 59 -8.662 -2.865 3.506 1.00 0.00 C ATOM 559 CG GLN A 59 -9.639 -3.985 3.141 1.00 0.00 C ATOM 560 CD GLN A 59 -9.150 -5.334 3.672 1.00 0.00 C ATOM 561 OE1 GLN A 59 -8.248 -5.953 3.131 1.00 0.00 O ATOM 562 NE2 GLN A 59 -9.793 -5.753 4.758 1.00 0.00 N ATOM 0 H GLN A 59 -5.702 -1.751 3.028 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.072 -4.183 2.979 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.573 -2.794 4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.051 -1.909 3.155 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.623 -3.763 3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.752 -4.036 2.058 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.539 -5.185 5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.540 -6.642 5.189 1.00 0.00 H new ATOM 571 N LEU A 60 -7.630 -3.714 0.582 1.00 0.00 N ATOM 572 CA LEU A 60 -7.663 -3.501 -0.855 1.00 0.00 C ATOM 573 C LEU A 60 -9.102 -3.640 -1.355 1.00 0.00 C ATOM 574 O LEU A 60 -9.936 -4.256 -0.693 1.00 0.00 O ATOM 575 CB LEU A 60 -6.676 -4.435 -1.558 1.00 0.00 C ATOM 576 CG LEU A 60 -5.819 -5.315 -0.645 1.00 0.00 C ATOM 577 CD1 LEU A 60 -5.227 -6.495 -1.419 1.00 0.00 C ATOM 578 CD2 LEU A 60 -4.738 -4.489 0.055 1.00 0.00 C ATOM 0 H LEU A 60 -7.902 -4.651 0.880 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.337 -2.489 -1.097 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.236 -5.083 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.011 -3.831 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.462 -5.729 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.623 -7.104 -0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.034 -7.101 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.603 -6.121 -2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.143 -5.138 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.092 -4.027 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.207 -3.712 0.659 1.00 0.00 H new ATOM 590 N SER A 61 -9.350 -3.056 -2.518 1.00 0.00 N ATOM 591 CA SER A 61 -10.674 -3.107 -3.114 1.00 0.00 C ATOM 592 C SER A 61 -10.560 -3.245 -4.633 1.00 0.00 C ATOM 593 O SER A 61 -11.121 -2.442 -5.377 1.00 0.00 O ATOM 594 CB SER A 61 -11.488 -1.862 -2.754 1.00 0.00 C ATOM 595 OG SER A 61 -12.548 -1.632 -3.678 1.00 0.00 O ATOM 0 H SER A 61 -8.656 -2.545 -3.064 1.00 0.00 H new ATOM 0 HA SER A 61 -11.195 -3.977 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.899 -1.975 -1.751 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.831 -0.993 -2.733 1.00 0.00 H new ATOM 0 HG SER A 61 -12.177 -1.498 -4.575 1.00 0.00 H new ATOM 601 N ALA A 62 -9.829 -4.269 -5.049 1.00 0.00 N ATOM 602 CA ALA A 62 -9.634 -4.522 -6.466 1.00 0.00 C ATOM 603 C ALA A 62 -10.929 -4.212 -7.219 1.00 0.00 C ATOM 604 O ALA A 62 -12.004 -4.663 -6.824 1.00 0.00 O ATOM 605 CB ALA A 62 -9.174 -5.968 -6.668 1.00 0.00 C ATOM 0 H ALA A 62 -9.365 -4.933 -4.429 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.856 -3.873 -6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.028 -6.158 -7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.235 -6.129 -6.138 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.931 -6.648 -6.279 1.00 0.00 H new ATOM 611 N GLU A 63 -10.785 -3.445 -8.289 1.00 0.00 N ATOM 612 CA GLU A 63 -11.931 -3.069 -9.100 1.00 0.00 C ATOM 613 C GLU A 63 -11.664 -3.384 -10.574 1.00 0.00 C ATOM 614 O GLU A 63 -12.505 -3.119 -11.431 1.00 0.00 O ATOM 615 CB GLU A 63 -12.277 -1.591 -8.909 1.00 0.00 C ATOM 616 CG GLU A 63 -11.243 -0.693 -9.591 1.00 0.00 C ATOM 617 CD GLU A 63 -11.914 0.269 -10.573 1.00 0.00 C ATOM 618 OE1 GLU A 63 -12.890 -0.170 -11.220 1.00 0.00 O ATOM 619 OE2 GLU A 63 -11.437 1.421 -10.655 1.00 0.00 O ATOM 0 H GLU A 63 -9.892 -3.073 -8.614 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.791 -3.654 -8.773 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.266 -1.389 -9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.320 -1.359 -7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.696 -0.126 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.514 -1.308 -10.119 1.00 0.00 H new ATOM 626 N SER A 64 -10.490 -3.945 -10.822 1.00 0.00 N ATOM 627 CA SER A 64 -10.102 -4.299 -12.177 1.00 0.00 C ATOM 628 C SER A 64 -8.578 -4.393 -12.277 1.00 0.00 C ATOM 629 O SER A 64 -7.874 -3.420 -12.013 1.00 0.00 O ATOM 630 CB SER A 64 -10.638 -3.282 -13.187 1.00 0.00 C ATOM 631 OG SER A 64 -11.906 -3.668 -13.711 1.00 0.00 O ATOM 0 H SER A 64 -9.795 -4.163 -10.108 1.00 0.00 H new ATOM 0 HA SER A 64 -10.536 -5.270 -12.414 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.725 -2.307 -12.708 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.926 -3.173 -14.005 1.00 0.00 H new ATOM 0 HG SER A 64 -12.614 -3.386 -13.095 1.00 0.00 H new ATOM 637 N VAL A 65 -8.114 -5.573 -12.660 1.00 0.00 N ATOM 638 CA VAL A 65 -6.686 -5.807 -12.798 1.00 0.00 C ATOM 639 C VAL A 65 -6.016 -4.540 -13.333 1.00 0.00 C ATOM 640 O VAL A 65 -6.637 -3.763 -14.056 1.00 0.00 O ATOM 641 CB VAL A 65 -6.440 -7.032 -13.681 1.00 0.00 C ATOM 642 CG1 VAL A 65 -6.335 -8.304 -12.837 1.00 0.00 C ATOM 643 CG2 VAL A 65 -7.529 -7.168 -14.746 1.00 0.00 C ATOM 0 H VAL A 65 -8.701 -6.378 -12.879 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.239 -6.027 -11.828 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.488 -6.890 -14.193 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.160 -9.160 -13.489 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.507 -8.207 -12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.263 -8.452 -12.285 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.330 -8.047 -15.360 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.500 -7.276 -14.262 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.535 -6.279 -15.376 1.00 0.00 H new ATOM 653 N GLY A 66 -4.757 -4.371 -12.956 1.00 0.00 N ATOM 654 CA GLY A 66 -3.995 -3.212 -13.388 1.00 0.00 C ATOM 655 C GLY A 66 -4.559 -1.927 -12.778 1.00 0.00 C ATOM 656 O GLY A 66 -4.173 -0.827 -13.172 1.00 0.00 O ATOM 0 H GLY A 66 -4.245 -5.018 -12.356 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.951 -3.329 -13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.017 -3.143 -14.476 1.00 0.00 H new ATOM 660 N GLU A 67 -5.462 -2.108 -11.826 1.00 0.00 N ATOM 661 CA GLU A 67 -6.082 -0.977 -11.157 1.00 0.00 C ATOM 662 C GLU A 67 -6.995 -1.463 -10.029 1.00 0.00 C ATOM 663 O GLU A 67 -8.097 -1.949 -10.283 1.00 0.00 O ATOM 664 CB GLU A 67 -6.854 -0.108 -12.151 1.00 0.00 C ATOM 665 CG GLU A 67 -6.501 1.370 -11.977 1.00 0.00 C ATOM 666 CD GLU A 67 -7.173 2.226 -13.053 1.00 0.00 C ATOM 667 OE1 GLU A 67 -7.268 1.728 -14.195 1.00 0.00 O ATOM 668 OE2 GLU A 67 -7.576 3.358 -12.708 1.00 0.00 O ATOM 0 H GLU A 67 -5.779 -3.021 -11.502 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.295 -0.361 -10.722 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.625 -0.423 -13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.925 -0.249 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.815 1.709 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.420 1.498 -12.029 1.00 0.00 H new ATOM 675 N VAL A 68 -6.504 -1.315 -8.808 1.00 0.00 N ATOM 676 CA VAL A 68 -7.262 -1.732 -7.641 1.00 0.00 C ATOM 677 C VAL A 68 -7.339 -0.572 -6.646 1.00 0.00 C ATOM 678 O VAL A 68 -6.668 0.444 -6.819 1.00 0.00 O ATOM 679 CB VAL A 68 -6.643 -2.996 -7.039 1.00 0.00 C ATOM 680 CG1 VAL A 68 -6.688 -4.156 -8.035 1.00 0.00 C ATOM 681 CG2 VAL A 68 -5.212 -2.733 -6.566 1.00 0.00 C ATOM 0 H VAL A 68 -5.590 -0.912 -8.601 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.284 -1.988 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.236 -3.279 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.242 -5.042 -7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.724 -4.367 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.130 -3.887 -8.932 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.795 -3.647 -6.142 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.602 -2.414 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.218 -1.951 -5.807 1.00 0.00 H new ATOM 691 N TYR A 69 -8.164 -0.763 -5.626 1.00 0.00 N ATOM 692 CA TYR A 69 -8.337 0.255 -4.604 1.00 0.00 C ATOM 693 C TYR A 69 -7.705 -0.183 -3.281 1.00 0.00 C ATOM 694 O TYR A 69 -7.287 -1.331 -3.139 1.00 0.00 O ATOM 695 CB TYR A 69 -9.847 0.404 -4.409 1.00 0.00 C ATOM 696 CG TYR A 69 -10.491 1.453 -5.318 1.00 0.00 C ATOM 697 CD1 TYR A 69 -10.340 2.796 -5.038 1.00 0.00 C ATOM 698 CD2 TYR A 69 -11.224 1.055 -6.419 1.00 0.00 C ATOM 699 CE1 TYR A 69 -10.947 3.782 -5.894 1.00 0.00 C ATOM 700 CE2 TYR A 69 -11.830 2.042 -7.274 1.00 0.00 C ATOM 701 CZ TYR A 69 -11.662 3.357 -6.970 1.00 0.00 C ATOM 702 OH TYR A 69 -12.234 4.289 -7.778 1.00 0.00 O ATOM 0 H TYR A 69 -8.719 -1.607 -5.486 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.860 1.187 -4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.323 -0.560 -4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.045 0.668 -3.370 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.767 3.107 -4.177 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.342 0.004 -6.638 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.837 4.836 -5.686 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -12.406 1.745 -8.138 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.712 3.841 -8.507 1.00 0.00 H new ATOM 712 N ILE A 70 -7.654 0.755 -2.347 1.00 0.00 N ATOM 713 CA ILE A 70 -7.080 0.481 -1.041 1.00 0.00 C ATOM 714 C ILE A 70 -7.693 1.430 -0.009 1.00 0.00 C ATOM 715 O ILE A 70 -7.693 2.645 -0.201 1.00 0.00 O ATOM 716 CB ILE A 70 -5.553 0.543 -1.103 1.00 0.00 C ATOM 717 CG1 ILE A 70 -5.003 -0.472 -2.107 1.00 0.00 C ATOM 718 CG2 ILE A 70 -4.940 0.366 0.287 1.00 0.00 C ATOM 719 CD1 ILE A 70 -3.481 -0.583 -1.996 1.00 0.00 C ATOM 0 H ILE A 70 -8.001 1.706 -2.469 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.322 -0.534 -0.724 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.265 1.533 -1.457 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.456 -1.447 -1.929 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.277 -0.173 -3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.853 0.414 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.295 1.159 0.945 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.234 -0.602 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.115 -1.311 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.030 0.388 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.212 -0.906 -0.990 1.00 0.00 H new ATOM 731 N LYS A 71 -8.201 0.839 1.062 1.00 0.00 N ATOM 732 CA LYS A 71 -8.816 1.617 2.125 1.00 0.00 C ATOM 733 C LYS A 71 -8.226 1.190 3.470 1.00 0.00 C ATOM 734 O LYS A 71 -8.429 0.059 3.910 1.00 0.00 O ATOM 735 CB LYS A 71 -10.341 1.504 2.058 1.00 0.00 C ATOM 736 CG LYS A 71 -11.009 2.741 2.662 1.00 0.00 C ATOM 737 CD LYS A 71 -11.717 2.395 3.974 1.00 0.00 C ATOM 738 CE LYS A 71 -10.707 2.188 5.104 1.00 0.00 C ATOM 739 NZ LYS A 71 -9.800 3.352 5.208 1.00 0.00 N ATOM 0 H LYS A 71 -8.200 -0.169 1.217 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.592 2.677 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.655 1.386 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -10.667 0.612 2.593 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.260 3.513 2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.728 3.153 1.954 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.408 3.195 4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.312 1.491 3.843 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.233 2.044 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.128 1.283 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.479 3.455 6.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.977 3.207 4.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.305 4.213 4.917 1.00 0.00 H new ATOM 753 N SER A 72 -7.509 2.118 4.087 1.00 0.00 N ATOM 754 CA SER A 72 -6.889 1.852 5.373 1.00 0.00 C ATOM 755 C SER A 72 -7.965 1.630 6.438 1.00 0.00 C ATOM 756 O SER A 72 -8.297 2.545 7.190 1.00 0.00 O ATOM 757 CB SER A 72 -5.963 2.998 5.786 1.00 0.00 C ATOM 758 OG SER A 72 -4.904 2.552 6.629 1.00 0.00 O ATOM 0 H SER A 72 -7.344 3.055 3.720 1.00 0.00 H new ATOM 0 HA SER A 72 -6.286 0.948 5.281 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.544 3.465 4.894 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.542 3.763 6.305 1.00 0.00 H new ATOM 0 HG SER A 72 -5.072 1.626 6.903 1.00 0.00 H new ATOM 764 N THR A 73 -8.480 0.410 6.467 1.00 0.00 N ATOM 765 CA THR A 73 -9.512 0.056 7.427 1.00 0.00 C ATOM 766 C THR A 73 -9.278 0.781 8.753 1.00 0.00 C ATOM 767 O THR A 73 -8.518 0.309 9.597 1.00 0.00 O ATOM 768 CB THR A 73 -9.530 -1.468 7.562 1.00 0.00 C ATOM 769 OG1 THR A 73 -8.387 -1.895 6.825 1.00 0.00 O ATOM 770 CG2 THR A 73 -10.709 -2.108 6.825 1.00 0.00 C ATOM 0 H THR A 73 -8.202 -0.346 5.841 1.00 0.00 H new ATOM 0 HA THR A 73 -10.496 0.378 7.086 1.00 0.00 H new ATOM 0 HB THR A 73 -9.572 -1.738 8.617 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.397 -2.871 6.742 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.674 -3.190 6.953 1.00 0.00 H new ATOM 0 HG22 THR A 73 -11.644 -1.724 7.232 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.649 -1.866 5.764 1.00 0.00 H new ATOM 778 N GLU A 74 -9.946 1.916 8.896 1.00 0.00 N ATOM 779 CA GLU A 74 -9.820 2.712 10.106 1.00 0.00 C ATOM 780 C GLU A 74 -10.609 4.015 9.968 1.00 0.00 C ATOM 781 O GLU A 74 -11.764 4.093 10.383 1.00 0.00 O ATOM 782 CB GLU A 74 -8.351 2.991 10.428 1.00 0.00 C ATOM 783 CG GLU A 74 -7.906 2.219 11.672 1.00 0.00 C ATOM 784 CD GLU A 74 -8.307 2.960 12.949 1.00 0.00 C ATOM 785 OE1 GLU A 74 -7.797 4.086 13.136 1.00 0.00 O ATOM 786 OE2 GLU A 74 -9.114 2.383 13.711 1.00 0.00 O ATOM 0 H GLU A 74 -10.576 2.304 8.194 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.238 2.144 10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.729 2.709 9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.207 4.060 10.588 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.354 1.225 11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -6.825 2.081 11.651 1.00 0.00 H new ATOM 793 N THR A 75 -9.953 5.008 9.384 1.00 0.00 N ATOM 794 CA THR A 75 -10.578 6.304 9.187 1.00 0.00 C ATOM 795 C THR A 75 -10.771 6.582 7.695 1.00 0.00 C ATOM 796 O THR A 75 -10.244 7.561 7.169 1.00 0.00 O ATOM 797 CB THR A 75 -9.721 7.355 9.895 1.00 0.00 C ATOM 798 OG1 THR A 75 -10.136 8.589 9.316 1.00 0.00 O ATOM 799 CG2 THR A 75 -8.240 7.250 9.523 1.00 0.00 C ATOM 0 H THR A 75 -8.995 4.940 9.041 1.00 0.00 H new ATOM 0 HA THR A 75 -11.577 6.331 9.622 1.00 0.00 H new ATOM 0 HB THR A 75 -9.834 7.248 10.974 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.770 8.665 8.410 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.676 8.018 10.053 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.863 6.266 9.803 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.124 7.391 8.448 1.00 0.00 H new ATOM 807 N GLY A 76 -11.528 5.703 7.055 1.00 0.00 N ATOM 808 CA GLY A 76 -11.797 5.841 5.634 1.00 0.00 C ATOM 809 C GLY A 76 -10.593 6.438 4.903 1.00 0.00 C ATOM 810 O GLY A 76 -10.756 7.201 3.952 1.00 0.00 O ATOM 0 H GLY A 76 -11.964 4.892 7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.038 4.866 5.210 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.669 6.478 5.486 1.00 0.00 H new ATOM 814 N GLN A 77 -9.412 6.069 5.376 1.00 0.00 N ATOM 815 CA GLN A 77 -8.181 6.560 4.780 1.00 0.00 C ATOM 816 C GLN A 77 -7.756 5.656 3.620 1.00 0.00 C ATOM 817 O GLN A 77 -7.264 4.550 3.838 1.00 0.00 O ATOM 818 CB GLN A 77 -7.070 6.667 5.826 1.00 0.00 C ATOM 819 CG GLN A 77 -6.767 8.130 6.156 1.00 0.00 C ATOM 820 CD GLN A 77 -5.344 8.287 6.697 1.00 0.00 C ATOM 821 OE1 GLN A 77 -4.422 7.592 6.303 1.00 0.00 O ATOM 822 NE2 GLN A 77 -5.218 9.237 7.619 1.00 0.00 N ATOM 0 H GLN A 77 -9.281 5.436 6.165 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.364 7.561 4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.367 6.140 6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.168 6.180 5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -6.889 8.741 5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.482 8.496 6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -6.031 9.783 7.904 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.308 9.420 8.042 1.00 0.00 H new ATOM 831 N TYR A 78 -7.963 6.161 2.413 1.00 0.00 N ATOM 832 CA TYR A 78 -7.607 5.414 1.219 1.00 0.00 C ATOM 833 C TYR A 78 -6.133 5.617 0.862 1.00 0.00 C ATOM 834 O TYR A 78 -5.570 6.680 1.120 1.00 0.00 O ATOM 835 CB TYR A 78 -8.475 5.981 0.093 1.00 0.00 C ATOM 836 CG TYR A 78 -9.928 5.505 0.128 1.00 0.00 C ATOM 837 CD1 TYR A 78 -10.858 6.180 0.892 1.00 0.00 C ATOM 838 CD2 TYR A 78 -10.310 4.400 -0.606 1.00 0.00 C ATOM 839 CE1 TYR A 78 -12.226 5.732 0.925 1.00 0.00 C ATOM 840 CE2 TYR A 78 -11.679 3.952 -0.573 1.00 0.00 C ATOM 841 CZ TYR A 78 -12.569 4.640 0.190 1.00 0.00 C ATOM 842 OH TYR A 78 -13.861 4.217 0.221 1.00 0.00 O ATOM 0 H TYR A 78 -8.373 7.078 2.236 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.766 4.347 1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.459 7.069 0.148 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.036 5.704 -0.865 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.560 7.045 1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.583 3.872 -1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.963 6.251 1.520 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -11.991 3.089 -1.142 1.00 0.00 H new ATOM 0 HH TYR A 78 -13.961 3.428 -0.352 1.00 0.00 H new ATOM 852 N LEU A 79 -5.551 4.582 0.276 1.00 0.00 N ATOM 853 CA LEU A 79 -4.153 4.634 -0.118 1.00 0.00 C ATOM 854 C LEU A 79 -4.041 5.279 -1.501 1.00 0.00 C ATOM 855 O LEU A 79 -4.883 5.047 -2.368 1.00 0.00 O ATOM 856 CB LEU A 79 -3.521 3.243 -0.035 1.00 0.00 C ATOM 857 CG LEU A 79 -2.116 3.180 0.566 1.00 0.00 C ATOM 858 CD1 LEU A 79 -1.288 4.399 0.155 1.00 0.00 C ATOM 859 CD2 LEU A 79 -2.176 3.013 2.085 1.00 0.00 C ATOM 0 H LEU A 79 -6.022 3.702 0.064 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.586 5.258 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.176 2.603 0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.484 2.822 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.613 2.300 0.166 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.294 4.329 0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.202 4.431 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.778 5.307 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.164 2.971 2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.706 3.859 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.702 2.090 2.329 1.00 0.00 H new ATOM 871 N ALA A 80 -2.995 6.075 -1.664 1.00 0.00 N ATOM 872 CA ALA A 80 -2.763 6.755 -2.927 1.00 0.00 C ATOM 873 C ALA A 80 -1.315 7.250 -2.976 1.00 0.00 C ATOM 874 O ALA A 80 -0.563 7.073 -2.019 1.00 0.00 O ATOM 875 CB ALA A 80 -3.773 7.893 -3.088 1.00 0.00 C ATOM 0 H ALA A 80 -2.299 6.264 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.907 6.071 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.599 8.403 -4.035 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.784 7.486 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.657 8.602 -2.268 1.00 0.00 H new ATOM 881 N MET A 81 -0.970 7.859 -4.101 1.00 0.00 N ATOM 882 CA MET A 81 0.374 8.380 -4.287 1.00 0.00 C ATOM 883 C MET A 81 0.355 9.660 -5.124 1.00 0.00 C ATOM 884 O MET A 81 0.118 9.614 -6.330 1.00 0.00 O ATOM 885 CB MET A 81 1.238 7.327 -4.984 1.00 0.00 C ATOM 886 CG MET A 81 2.633 7.261 -4.358 1.00 0.00 C ATOM 887 SD MET A 81 3.473 5.780 -4.895 1.00 0.00 S ATOM 888 CE MET A 81 5.169 6.320 -4.761 1.00 0.00 C ATOM 0 H MET A 81 -1.597 8.003 -4.892 1.00 0.00 H new ATOM 0 HA MET A 81 0.791 8.615 -3.308 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.757 6.351 -4.913 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.322 7.564 -6.045 1.00 0.00 H new ATOM 0 HG2 MET A 81 3.211 8.140 -4.643 1.00 0.00 H new ATOM 0 HG3 MET A 81 2.554 7.270 -3.271 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.813 5.638 -5.316 1.00 0.00 H new ATOM 0 HE2 MET A 81 5.264 7.325 -5.172 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.467 6.327 -3.712 1.00 0.00 H new ATOM 898 N ASP A 82 0.607 10.773 -4.451 1.00 0.00 N ATOM 899 CA ASP A 82 0.621 12.064 -5.118 1.00 0.00 C ATOM 900 C ASP A 82 1.775 12.102 -6.122 1.00 0.00 C ATOM 901 O ASP A 82 2.585 11.177 -6.177 1.00 0.00 O ATOM 902 CB ASP A 82 0.830 13.200 -4.115 1.00 0.00 C ATOM 903 CG ASP A 82 -0.263 13.334 -3.052 1.00 0.00 C ATOM 904 OD1 ASP A 82 -1.430 13.517 -3.459 1.00 0.00 O ATOM 905 OD2 ASP A 82 0.094 13.248 -1.857 1.00 0.00 O ATOM 0 H ASP A 82 0.803 10.808 -3.451 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.339 12.196 -5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.787 13.051 -3.614 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.900 14.140 -4.663 1.00 0.00 H new ATOM 910 N THR A 83 1.814 13.181 -6.890 1.00 0.00 N ATOM 911 CA THR A 83 2.855 13.351 -7.889 1.00 0.00 C ATOM 912 C THR A 83 4.234 13.357 -7.226 1.00 0.00 C ATOM 913 O THR A 83 5.251 13.188 -7.898 1.00 0.00 O ATOM 914 CB THR A 83 2.553 14.629 -8.674 1.00 0.00 C ATOM 915 OG1 THR A 83 1.425 14.286 -9.474 1.00 0.00 O ATOM 916 CG2 THR A 83 3.645 14.963 -9.693 1.00 0.00 C ATOM 0 H THR A 83 1.141 13.946 -6.840 1.00 0.00 H new ATOM 0 HA THR A 83 2.870 12.517 -8.591 1.00 0.00 H new ATOM 0 HB THR A 83 2.437 15.462 -7.981 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.160 15.059 -10.015 1.00 0.00 H new ATOM 0 HG21 THR A 83 3.381 15.879 -10.222 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.594 15.104 -9.176 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.739 14.145 -10.407 1.00 0.00 H new ATOM 924 N ASP A 84 4.225 13.554 -5.916 1.00 0.00 N ATOM 925 CA ASP A 84 5.462 13.585 -5.155 1.00 0.00 C ATOM 926 C ASP A 84 5.877 12.154 -4.807 1.00 0.00 C ATOM 927 O ASP A 84 6.829 11.945 -4.056 1.00 0.00 O ATOM 928 CB ASP A 84 5.284 14.356 -3.845 1.00 0.00 C ATOM 929 CG ASP A 84 6.307 15.469 -3.607 1.00 0.00 C ATOM 930 OD1 ASP A 84 7.285 15.517 -4.384 1.00 0.00 O ATOM 931 OD2 ASP A 84 6.088 16.246 -2.653 1.00 0.00 O ATOM 0 H ASP A 84 3.380 13.694 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 84 6.220 14.078 -5.764 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.285 14.792 -3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.337 13.651 -3.016 1.00 0.00 H new ATOM 936 N GLY A 85 5.144 11.205 -5.371 1.00 0.00 N ATOM 937 CA GLY A 85 5.424 9.800 -5.130 1.00 0.00 C ATOM 938 C GLY A 85 5.406 9.486 -3.632 1.00 0.00 C ATOM 939 O GLY A 85 5.924 8.456 -3.204 1.00 0.00 O ATOM 0 H GLY A 85 4.356 11.382 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.685 9.185 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.397 9.543 -5.547 1.00 0.00 H new ATOM 943 N LEU A 86 4.805 10.394 -2.877 1.00 0.00 N ATOM 944 CA LEU A 86 4.713 10.226 -1.437 1.00 0.00 C ATOM 945 C LEU A 86 3.349 9.632 -1.083 1.00 0.00 C ATOM 946 O LEU A 86 2.333 10.323 -1.142 1.00 0.00 O ATOM 947 CB LEU A 86 5.013 11.547 -0.724 1.00 0.00 C ATOM 948 CG LEU A 86 5.648 11.431 0.663 1.00 0.00 C ATOM 949 CD1 LEU A 86 5.890 12.814 1.272 1.00 0.00 C ATOM 950 CD2 LEU A 86 4.807 10.540 1.579 1.00 0.00 C ATOM 0 H LEU A 86 4.377 11.248 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 86 5.468 9.522 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.676 12.136 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.082 12.106 -0.630 1.00 0.00 H new ATOM 0 HG LEU A 86 6.621 10.952 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.342 12.703 2.258 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.560 13.383 0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.941 13.342 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.281 10.475 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.810 10.967 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.730 9.543 1.146 1.00 0.00 H new ATOM 962 N LEU A 87 3.370 8.358 -0.721 1.00 0.00 N ATOM 963 CA LEU A 87 2.147 7.663 -0.358 1.00 0.00 C ATOM 964 C LEU A 87 1.249 8.606 0.446 1.00 0.00 C ATOM 965 O LEU A 87 1.721 9.307 1.339 1.00 0.00 O ATOM 966 CB LEU A 87 2.469 6.354 0.367 1.00 0.00 C ATOM 967 CG LEU A 87 2.412 5.084 -0.484 1.00 0.00 C ATOM 968 CD1 LEU A 87 3.072 5.307 -1.846 1.00 0.00 C ATOM 969 CD2 LEU A 87 3.024 3.897 0.262 1.00 0.00 C ATOM 0 H LEU A 87 4.215 7.789 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 87 1.592 7.377 -1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.468 6.436 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.773 6.242 1.199 1.00 0.00 H new ATOM 0 HG LEU A 87 1.365 4.843 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.018 4.389 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.553 6.106 -2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.116 5.585 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.971 3.007 -0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.066 4.113 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.472 3.724 1.186 1.00 0.00 H new ATOM 981 N TYR A 88 -0.030 8.593 0.099 1.00 0.00 N ATOM 982 CA TYR A 88 -0.998 9.438 0.777 1.00 0.00 C ATOM 983 C TYR A 88 -2.428 9.002 0.453 1.00 0.00 C ATOM 984 O TYR A 88 -2.652 8.243 -0.489 1.00 0.00 O ATOM 985 CB TYR A 88 -0.774 10.852 0.238 1.00 0.00 C ATOM 986 CG TYR A 88 -1.725 11.244 -0.895 1.00 0.00 C ATOM 987 CD1 TYR A 88 -1.509 10.771 -2.173 1.00 0.00 C ATOM 988 CD2 TYR A 88 -2.799 12.072 -0.638 1.00 0.00 C ATOM 989 CE1 TYR A 88 -2.404 11.140 -3.238 1.00 0.00 C ATOM 990 CE2 TYR A 88 -3.695 12.441 -1.703 1.00 0.00 C ATOM 991 CZ TYR A 88 -3.453 11.957 -2.951 1.00 0.00 C ATOM 992 OH TYR A 88 -4.299 12.306 -3.957 1.00 0.00 O ATOM 0 H TYR A 88 -0.418 8.010 -0.643 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.870 9.378 1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.887 11.564 1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.253 10.936 -0.118 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.668 10.124 -2.374 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.967 12.443 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.246 10.776 -4.243 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.540 13.087 -1.515 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.831 12.888 -4.591 1.00 0.00 H new ATOM 1002 N GLY A 89 -3.360 9.502 1.251 1.00 0.00 N ATOM 1003 CA GLY A 89 -4.763 9.173 1.061 1.00 0.00 C ATOM 1004 C GLY A 89 -5.590 10.434 0.800 1.00 0.00 C ATOM 1005 O GLY A 89 -5.157 11.541 1.113 1.00 0.00 O ATOM 0 H GLY A 89 -3.171 10.132 2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.869 8.484 0.223 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.143 8.661 1.945 1.00 0.00 H new ATOM 1009 N SER A 90 -6.767 10.222 0.229 1.00 0.00 N ATOM 1010 CA SER A 90 -7.659 11.327 -0.078 1.00 0.00 C ATOM 1011 C SER A 90 -9.089 10.813 -0.254 1.00 0.00 C ATOM 1012 O SER A 90 -9.304 9.614 -0.431 1.00 0.00 O ATOM 1013 CB SER A 90 -7.204 12.069 -1.337 1.00 0.00 C ATOM 1014 OG SER A 90 -7.372 13.479 -1.215 1.00 0.00 O ATOM 0 H SER A 90 -7.123 9.302 -0.029 1.00 0.00 H new ATOM 0 HA SER A 90 -7.632 12.029 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.155 11.844 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.772 11.709 -2.195 1.00 0.00 H new ATOM 0 HG SER A 90 -7.069 13.917 -2.038 1.00 0.00 H new ATOM 1020 N GLN A 91 -10.030 11.744 -0.198 1.00 0.00 N ATOM 1021 CA GLN A 91 -11.433 11.399 -0.349 1.00 0.00 C ATOM 1022 C GLN A 91 -11.831 11.427 -1.826 1.00 0.00 C ATOM 1023 O GLN A 91 -12.929 11.864 -2.168 1.00 0.00 O ATOM 1024 CB GLN A 91 -12.319 12.334 0.476 1.00 0.00 C ATOM 1025 CG GLN A 91 -13.775 11.864 0.463 1.00 0.00 C ATOM 1026 CD GLN A 91 -14.731 13.044 0.280 1.00 0.00 C ATOM 1027 OE1 GLN A 91 -15.409 13.177 -0.726 1.00 0.00 O ATOM 1028 NE2 GLN A 91 -14.748 13.891 1.305 1.00 0.00 N ATOM 0 H GLN A 91 -9.848 12.737 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.581 10.387 0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.955 12.373 1.503 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.256 13.346 0.077 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.921 11.145 -0.343 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -14.003 11.348 1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -14.155 13.721 2.117 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -15.354 14.711 1.279 1.00 0.00 H new ATOM 1037 N THR A 92 -10.917 10.956 -2.661 1.00 0.00 N ATOM 1038 CA THR A 92 -11.159 10.923 -4.094 1.00 0.00 C ATOM 1039 C THR A 92 -10.688 9.592 -4.683 1.00 0.00 C ATOM 1040 O THR A 92 -9.539 9.467 -5.105 1.00 0.00 O ATOM 1041 CB THR A 92 -10.474 12.140 -4.718 1.00 0.00 C ATOM 1042 OG1 THR A 92 -9.092 11.794 -4.727 1.00 0.00 O ATOM 1043 CG2 THR A 92 -10.543 13.376 -3.819 1.00 0.00 C ATOM 0 H THR A 92 -10.008 10.594 -2.373 1.00 0.00 H new ATOM 0 HA THR A 92 -12.224 10.983 -4.317 1.00 0.00 H new ATOM 0 HB THR A 92 -10.937 12.364 -5.679 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.955 11.009 -5.297 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.042 14.211 -4.309 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.586 13.635 -3.636 1.00 0.00 H new ATOM 0 HG23 THR A 92 -10.050 13.164 -2.870 1.00 0.00 H new ATOM 1051 N PRO A 93 -11.623 8.604 -4.693 1.00 0.00 N ATOM 1052 CA PRO A 93 -11.316 7.287 -5.224 1.00 0.00 C ATOM 1053 C PRO A 93 -11.271 7.309 -6.753 1.00 0.00 C ATOM 1054 O PRO A 93 -12.312 7.303 -7.408 1.00 0.00 O ATOM 1055 CB PRO A 93 -12.402 6.378 -4.674 1.00 0.00 C ATOM 1056 CG PRO A 93 -13.534 7.295 -4.241 1.00 0.00 C ATOM 1057 CD PRO A 93 -12.994 8.716 -4.202 1.00 0.00 C ATOM 0 HA PRO A 93 -10.330 6.932 -4.925 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.740 5.671 -5.432 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.031 5.791 -3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.370 7.223 -4.936 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.909 7.002 -3.260 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.586 9.382 -4.829 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.021 9.122 -3.191 1.00 0.00 H new ATOM 1065 N ASN A 94 -10.055 7.333 -7.277 1.00 0.00 N ATOM 1066 CA ASN A 94 -9.861 7.355 -8.717 1.00 0.00 C ATOM 1067 C ASN A 94 -8.454 6.852 -9.046 1.00 0.00 C ATOM 1068 O ASN A 94 -7.797 6.240 -8.205 1.00 0.00 O ATOM 1069 CB ASN A 94 -9.996 8.776 -9.269 1.00 0.00 C ATOM 1070 CG ASN A 94 -11.146 9.521 -8.590 1.00 0.00 C ATOM 1071 OD1 ASN A 94 -12.203 9.737 -9.160 1.00 0.00 O ATOM 1072 ND2 ASN A 94 -10.883 9.901 -7.343 1.00 0.00 N ATOM 0 H ASN A 94 -9.194 7.338 -6.730 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.621 6.718 -9.169 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.064 9.320 -9.115 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.168 8.737 -10.345 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.587 10.405 -6.804 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.977 9.688 -6.925 1.00 0.00 H new ATOM 1079 N GLU A 95 -8.033 7.128 -10.271 1.00 0.00 N ATOM 1080 CA GLU A 95 -6.715 6.711 -10.722 1.00 0.00 C ATOM 1081 C GLU A 95 -5.682 6.933 -9.616 1.00 0.00 C ATOM 1082 O GLU A 95 -4.800 6.100 -9.409 1.00 0.00 O ATOM 1083 CB GLU A 95 -6.315 7.447 -12.002 1.00 0.00 C ATOM 1084 CG GLU A 95 -6.996 6.828 -13.225 1.00 0.00 C ATOM 1085 CD GLU A 95 -7.681 7.902 -14.072 1.00 0.00 C ATOM 1086 OE1 GLU A 95 -8.489 8.656 -13.488 1.00 0.00 O ATOM 1087 OE2 GLU A 95 -7.383 7.944 -15.285 1.00 0.00 O ATOM 0 H GLU A 95 -8.581 7.635 -10.966 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.750 5.646 -10.951 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.589 8.499 -11.922 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.233 7.408 -12.125 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.258 6.300 -13.828 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.731 6.090 -12.902 1.00 0.00 H new ATOM 1094 N GLU A 96 -5.824 8.060 -8.934 1.00 0.00 N ATOM 1095 CA GLU A 96 -4.913 8.402 -7.855 1.00 0.00 C ATOM 1096 C GLU A 96 -4.954 7.329 -6.766 1.00 0.00 C ATOM 1097 O GLU A 96 -3.982 6.601 -6.569 1.00 0.00 O ATOM 1098 CB GLU A 96 -5.239 9.781 -7.279 1.00 0.00 C ATOM 1099 CG GLU A 96 -4.125 10.265 -6.349 1.00 0.00 C ATOM 1100 CD GLU A 96 -3.921 11.776 -6.476 1.00 0.00 C ATOM 1101 OE1 GLU A 96 -4.787 12.413 -7.114 1.00 0.00 O ATOM 1102 OE2 GLU A 96 -2.904 12.259 -5.934 1.00 0.00 O ATOM 0 H GLU A 96 -6.557 8.748 -9.108 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.901 8.443 -8.259 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.375 10.495 -8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.181 9.737 -6.732 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.373 10.014 -5.318 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.196 9.748 -6.589 1.00 0.00 H new ATOM 1109 N CYS A 97 -6.090 7.263 -6.087 1.00 0.00 N ATOM 1110 CA CYS A 97 -6.271 6.291 -5.022 1.00 0.00 C ATOM 1111 C CYS A 97 -5.962 4.902 -5.583 1.00 0.00 C ATOM 1112 O CYS A 97 -5.313 4.092 -4.923 1.00 0.00 O ATOM 1113 CB CYS A 97 -7.676 6.364 -4.422 1.00 0.00 C ATOM 1114 SG CYS A 97 -8.005 4.873 -3.413 1.00 0.00 S ATOM 0 H CYS A 97 -6.895 7.867 -6.254 1.00 0.00 H new ATOM 0 HA CYS A 97 -5.586 6.513 -4.204 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.771 7.258 -3.806 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.416 6.445 -5.218 1.00 0.00 H new ATOM 0 HG CYS A 97 -6.930 4.545 -2.760 1.00 0.00 H new ATOM 1120 N LEU A 98 -6.441 4.668 -6.796 1.00 0.00 N ATOM 1121 CA LEU A 98 -6.224 3.391 -7.454 1.00 0.00 C ATOM 1122 C LEU A 98 -4.745 3.012 -7.348 1.00 0.00 C ATOM 1123 O LEU A 98 -3.911 3.846 -6.998 1.00 0.00 O ATOM 1124 CB LEU A 98 -6.747 3.432 -8.891 1.00 0.00 C ATOM 1125 CG LEU A 98 -8.126 2.812 -9.121 1.00 0.00 C ATOM 1126 CD1 LEU A 98 -8.069 1.288 -9.001 1.00 0.00 C ATOM 1127 CD2 LEU A 98 -9.166 3.423 -8.180 1.00 0.00 C ATOM 0 H LEU A 98 -6.979 5.342 -7.341 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.791 2.605 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.780 4.472 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.029 2.921 -9.532 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.439 3.043 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.063 0.872 -9.169 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.379 0.890 -9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.725 1.014 -8.004 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.138 2.965 -8.364 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.871 3.244 -7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.232 4.496 -8.358 1.00 0.00 H new ATOM 1139 N PHE A 99 -4.466 1.754 -7.656 1.00 0.00 N ATOM 1140 CA PHE A 99 -3.103 1.255 -7.600 1.00 0.00 C ATOM 1141 C PHE A 99 -2.885 0.137 -8.622 1.00 0.00 C ATOM 1142 O PHE A 99 -3.254 -1.011 -8.379 1.00 0.00 O ATOM 1143 CB PHE A 99 -2.890 0.693 -6.193 1.00 0.00 C ATOM 1144 CG PHE A 99 -1.818 1.427 -5.385 1.00 0.00 C ATOM 1145 CD1 PHE A 99 -0.730 1.948 -6.014 1.00 0.00 C ATOM 1146 CD2 PHE A 99 -1.952 1.557 -4.038 1.00 0.00 C ATOM 1147 CE1 PHE A 99 0.264 2.630 -5.264 1.00 0.00 C ATOM 1148 CE2 PHE A 99 -0.958 2.239 -3.288 1.00 0.00 C ATOM 1149 CZ PHE A 99 0.130 2.760 -3.917 1.00 0.00 C ATOM 0 H PHE A 99 -5.161 1.066 -7.945 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.403 2.059 -7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.834 0.736 -5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.615 -0.359 -6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.622 1.843 -7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.815 1.141 -3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.127 3.046 -5.763 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.066 2.344 -2.219 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.887 3.277 -3.346 1.00 0.00 H new ATOM 1159 N LEU A 100 -2.288 0.512 -9.744 1.00 0.00 N ATOM 1160 CA LEU A 100 -2.018 -0.444 -10.803 1.00 0.00 C ATOM 1161 C LEU A 100 -1.558 -1.766 -10.186 1.00 0.00 C ATOM 1162 O LEU A 100 -0.392 -1.914 -9.823 1.00 0.00 O ATOM 1163 CB LEU A 100 -1.028 0.140 -11.813 1.00 0.00 C ATOM 1164 CG LEU A 100 -1.561 0.347 -13.232 1.00 0.00 C ATOM 1165 CD1 LEU A 100 -0.792 1.458 -13.950 1.00 0.00 C ATOM 1166 CD2 LEU A 100 -1.544 -0.964 -14.021 1.00 0.00 C ATOM 0 H LEU A 100 -1.984 1.465 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.927 -0.654 -11.367 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.677 1.100 -11.434 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.161 -0.519 -11.864 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.600 0.668 -13.163 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.191 1.585 -14.956 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.900 2.391 -13.397 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.263 1.191 -14.009 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.928 -0.789 -15.026 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.522 -1.338 -14.083 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.170 -1.700 -13.517 1.00 0.00 H new ATOM 1178 N GLU A 101 -2.498 -2.694 -10.085 1.00 0.00 N ATOM 1179 CA GLU A 101 -2.204 -3.999 -9.517 1.00 0.00 C ATOM 1180 C GLU A 101 -1.877 -5.000 -10.628 1.00 0.00 C ATOM 1181 O GLU A 101 -2.201 -4.768 -11.792 1.00 0.00 O ATOM 1182 CB GLU A 101 -3.366 -4.497 -8.656 1.00 0.00 C ATOM 1183 CG GLU A 101 -2.856 -5.317 -7.469 1.00 0.00 C ATOM 1184 CD GLU A 101 -3.638 -6.625 -7.330 1.00 0.00 C ATOM 1185 OE1 GLU A 101 -4.736 -6.570 -6.735 1.00 0.00 O ATOM 1186 OE2 GLU A 101 -3.120 -7.651 -7.822 1.00 0.00 O ATOM 0 H GLU A 101 -3.464 -2.568 -10.387 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.331 -3.904 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.945 -3.648 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.037 -5.106 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.796 -5.535 -7.601 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.949 -4.734 -6.553 1.00 0.00 H new ATOM 1193 N ARG A 102 -1.238 -6.090 -10.229 1.00 0.00 N ATOM 1194 CA ARG A 102 -0.864 -7.126 -11.176 1.00 0.00 C ATOM 1195 C ARG A 102 -0.152 -8.273 -10.455 1.00 0.00 C ATOM 1196 O ARG A 102 1.068 -8.249 -10.297 1.00 0.00 O ATOM 1197 CB ARG A 102 0.055 -6.571 -12.266 1.00 0.00 C ATOM 1198 CG ARG A 102 1.124 -5.654 -11.668 1.00 0.00 C ATOM 1199 CD ARG A 102 0.724 -4.183 -11.804 1.00 0.00 C ATOM 1200 NE ARG A 102 1.786 -3.434 -12.512 1.00 0.00 N ATOM 1201 CZ ARG A 102 3.076 -3.437 -12.150 1.00 0.00 C ATOM 1202 NH1 ARG A 102 3.472 -4.151 -11.087 1.00 0.00 N ATOM 1203 NH2 ARG A 102 3.971 -2.727 -12.851 1.00 0.00 N ATOM 0 H ARG A 102 -0.970 -6.278 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.778 -7.495 -11.640 1.00 0.00 H new ATOM 0 HB2 ARG A 102 0.533 -7.394 -12.798 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -0.535 -6.019 -12.998 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.271 -5.899 -10.616 1.00 0.00 H new ATOM 0 HG3 ARG A 102 2.076 -5.824 -12.171 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -0.216 -4.102 -12.350 1.00 0.00 H new ATOM 0 HD3 ARG A 102 0.558 -3.750 -10.818 1.00 0.00 H new ATOM 0 HE ARG A 102 1.519 -2.881 -13.326 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.791 -4.692 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.454 -4.153 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.670 -2.184 -13.660 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.953 -2.730 -12.575 1.00 0.00 H new ATOM 1217 N LEU A 103 -0.944 -9.248 -10.036 1.00 0.00 N ATOM 1218 CA LEU A 103 -0.405 -10.401 -9.335 1.00 0.00 C ATOM 1219 C LEU A 103 1.090 -10.521 -9.633 1.00 0.00 C ATOM 1220 O LEU A 103 1.478 -10.982 -10.706 1.00 0.00 O ATOM 1221 CB LEU A 103 -1.204 -11.660 -9.681 1.00 0.00 C ATOM 1222 CG LEU A 103 -1.865 -12.379 -8.503 1.00 0.00 C ATOM 1223 CD1 LEU A 103 -2.806 -13.482 -8.993 1.00 0.00 C ATOM 1224 CD2 LEU A 103 -0.814 -12.914 -7.527 1.00 0.00 C ATOM 0 H LEU A 103 -1.955 -9.264 -10.168 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.506 -10.273 -8.257 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.980 -11.389 -10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.538 -12.362 -10.183 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.472 -11.656 -7.958 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.263 -13.978 -8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.585 -13.045 -9.617 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.241 -14.210 -9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.310 -13.420 -6.699 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -0.162 -13.618 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.220 -12.085 -7.142 1.00 0.00 H new ATOM 1236 N GLU A 104 1.890 -10.097 -8.666 1.00 0.00 N ATOM 1237 CA GLU A 104 3.335 -10.151 -8.811 1.00 0.00 C ATOM 1238 C GLU A 104 3.811 -11.605 -8.852 1.00 0.00 C ATOM 1239 O GLU A 104 4.707 -11.947 -9.621 1.00 0.00 O ATOM 1240 CB GLU A 104 4.028 -9.378 -7.687 1.00 0.00 C ATOM 1241 CG GLU A 104 5.541 -9.601 -7.722 1.00 0.00 C ATOM 1242 CD GLU A 104 5.927 -10.867 -6.954 1.00 0.00 C ATOM 1243 OE1 GLU A 104 4.992 -11.583 -6.535 1.00 0.00 O ATOM 1244 OE2 GLU A 104 7.148 -11.091 -6.805 1.00 0.00 O ATOM 0 H GLU A 104 1.565 -9.714 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 104 3.604 -9.675 -9.754 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.811 -8.314 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.632 -9.697 -6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.876 -9.682 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.049 -8.739 -7.289 1.00 0.00 H new ATOM 1251 N GLU A 105 3.189 -12.421 -8.013 1.00 0.00 N ATOM 1252 CA GLU A 105 3.538 -13.830 -7.944 1.00 0.00 C ATOM 1253 C GLU A 105 2.278 -14.693 -8.034 1.00 0.00 C ATOM 1254 O GLU A 105 1.784 -14.965 -9.127 1.00 0.00 O ATOM 1255 CB GLU A 105 4.324 -14.138 -6.668 1.00 0.00 C ATOM 1256 CG GLU A 105 5.830 -14.011 -6.908 1.00 0.00 C ATOM 1257 CD GLU A 105 6.508 -15.382 -6.866 1.00 0.00 C ATOM 1258 OE1 GLU A 105 6.548 -16.028 -7.935 1.00 0.00 O ATOM 1259 OE2 GLU A 105 6.972 -15.752 -5.765 1.00 0.00 O ATOM 0 H GLU A 105 2.446 -12.133 -7.376 1.00 0.00 H new ATOM 0 HA GLU A 105 4.179 -14.068 -8.793 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.020 -13.455 -5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.090 -15.147 -6.327 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.010 -13.542 -7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.269 -13.361 -6.152 1.00 0.00 H new ATOM 1266 N ASN A 106 1.794 -15.101 -6.869 1.00 0.00 N ATOM 1267 CA ASN A 106 0.602 -15.928 -6.803 1.00 0.00 C ATOM 1268 C ASN A 106 0.068 -15.931 -5.369 1.00 0.00 C ATOM 1269 O ASN A 106 -0.212 -16.990 -4.809 1.00 0.00 O ATOM 1270 CB ASN A 106 0.912 -17.374 -7.195 1.00 0.00 C ATOM 1271 CG ASN A 106 -0.276 -18.013 -7.917 1.00 0.00 C ATOM 1272 OD1 ASN A 106 -1.411 -17.951 -7.475 1.00 0.00 O ATOM 1273 ND2 ASN A 106 0.048 -18.629 -9.051 1.00 0.00 N ATOM 0 H ASN A 106 2.206 -14.874 -5.964 1.00 0.00 H new ATOM 0 HA ASN A 106 -0.133 -15.517 -7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.790 -17.399 -7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 106 1.154 -17.952 -6.303 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -0.674 -19.087 -9.607 1.00 0.00 H new ATOM 0 HD22 ASN A 106 1.019 -18.644 -9.364 1.00 0.00 H new ATOM 1280 N HIS A 107 -0.057 -14.734 -4.815 1.00 0.00 N ATOM 1281 CA HIS A 107 -0.552 -14.586 -3.457 1.00 0.00 C ATOM 1282 C HIS A 107 -0.684 -13.099 -3.119 1.00 0.00 C ATOM 1283 O HIS A 107 -1.734 -12.655 -2.657 1.00 0.00 O ATOM 1284 CB HIS A 107 0.337 -15.343 -2.469 1.00 0.00 C ATOM 1285 CG HIS A 107 -0.083 -16.774 -2.237 1.00 0.00 C ATOM 1286 ND1 HIS A 107 0.802 -17.759 -1.833 1.00 0.00 N ATOM 1287 CD2 HIS A 107 -1.301 -17.377 -2.356 1.00 0.00 C ATOM 1288 CE1 HIS A 107 0.136 -18.899 -1.718 1.00 0.00 C ATOM 1289 NE2 HIS A 107 -1.167 -18.660 -2.043 1.00 0.00 N ATOM 0 H HIS A 107 0.176 -13.858 -5.282 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.544 -15.031 -3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.363 -15.331 -2.837 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.334 -14.815 -1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -2.219 -16.892 -2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 107 0.552 -19.850 -1.419 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -1.915 -19.353 -2.045 1.00 0.00 H new ATOM 1297 N TYR A 108 0.397 -12.372 -3.361 1.00 0.00 N ATOM 1298 CA TYR A 108 0.416 -10.945 -3.088 1.00 0.00 C ATOM 1299 C TYR A 108 -0.502 -10.190 -4.052 1.00 0.00 C ATOM 1300 O TYR A 108 -1.390 -10.783 -4.662 1.00 0.00 O ATOM 1301 CB TYR A 108 1.859 -10.491 -3.315 1.00 0.00 C ATOM 1302 CG TYR A 108 2.910 -11.474 -2.795 1.00 0.00 C ATOM 1303 CD1 TYR A 108 2.764 -12.043 -1.546 1.00 0.00 C ATOM 1304 CD2 TYR A 108 4.003 -11.792 -3.575 1.00 0.00 C ATOM 1305 CE1 TYR A 108 3.753 -12.968 -1.056 1.00 0.00 C ATOM 1306 CE2 TYR A 108 4.992 -12.718 -3.085 1.00 0.00 C ATOM 1307 CZ TYR A 108 4.818 -13.260 -1.850 1.00 0.00 C ATOM 1308 OH TYR A 108 5.752 -14.133 -1.388 1.00 0.00 O ATOM 0 H TYR A 108 1.266 -12.745 -3.743 1.00 0.00 H new ATOM 0 HA TYR A 108 0.069 -10.744 -2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 108 2.017 -10.337 -4.382 1.00 0.00 H new ATOM 0 HB3 TYR A 108 2.006 -9.527 -2.829 1.00 0.00 H new ATOM 0 HD1 TYR A 108 1.908 -11.795 -0.936 1.00 0.00 H new ATOM 0 HD2 TYR A 108 4.117 -11.347 -4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 108 3.651 -13.420 -0.080 1.00 0.00 H new ATOM 0 HE2 TYR A 108 5.852 -12.976 -3.685 1.00 0.00 H new ATOM 0 HH TYR A 108 6.237 -13.727 -0.639 1.00 0.00 H new ATOM 1318 N ASN A 109 -0.255 -8.893 -4.159 1.00 0.00 N ATOM 1319 CA ASN A 109 -1.048 -8.050 -5.038 1.00 0.00 C ATOM 1320 C ASN A 109 -0.354 -6.697 -5.203 1.00 0.00 C ATOM 1321 O ASN A 109 -1.010 -5.657 -5.217 1.00 0.00 O ATOM 1322 CB ASN A 109 -2.440 -7.800 -4.453 1.00 0.00 C ATOM 1323 CG ASN A 109 -3.313 -9.051 -4.560 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -3.676 -9.673 -3.575 1.00 0.00 O ATOM 1325 ND2 ASN A 109 -3.630 -9.385 -5.808 1.00 0.00 N ATOM 0 H ASN A 109 0.483 -8.405 -3.652 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.146 -8.560 -5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -2.351 -7.503 -3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.917 -6.974 -4.980 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.210 -10.205 -5.985 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.293 -8.821 -6.588 1.00 0.00 H new ATOM 1332 N THR A 110 0.964 -6.755 -5.324 1.00 0.00 N ATOM 1333 CA THR A 110 1.755 -5.547 -5.488 1.00 0.00 C ATOM 1334 C THR A 110 1.075 -4.595 -6.475 1.00 0.00 C ATOM 1335 O THR A 110 0.329 -5.031 -7.350 1.00 0.00 O ATOM 1336 CB THR A 110 3.165 -5.959 -5.914 1.00 0.00 C ATOM 1337 OG1 THR A 110 2.996 -6.457 -7.239 1.00 0.00 O ATOM 1338 CG2 THR A 110 3.687 -7.163 -5.127 1.00 0.00 C ATOM 0 H THR A 110 1.504 -7.620 -5.312 1.00 0.00 H new ATOM 0 HA THR A 110 1.832 -4.994 -4.552 1.00 0.00 H new ATOM 0 HB THR A 110 3.844 -5.117 -5.781 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.744 -6.159 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 110 4.691 -7.414 -5.469 1.00 0.00 H new ATOM 0 HG22 THR A 110 3.716 -6.919 -4.065 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.026 -8.015 -5.286 1.00 0.00 H new ATOM 1346 N TYR A 111 1.358 -3.312 -6.300 1.00 0.00 N ATOM 1347 CA TYR A 111 0.784 -2.295 -7.164 1.00 0.00 C ATOM 1348 C TYR A 111 1.845 -1.281 -7.597 1.00 0.00 C ATOM 1349 O TYR A 111 3.013 -1.407 -7.235 1.00 0.00 O ATOM 1350 CB TYR A 111 -0.277 -1.579 -6.326 1.00 0.00 C ATOM 1351 CG TYR A 111 -0.988 -2.484 -5.317 1.00 0.00 C ATOM 1352 CD1 TYR A 111 -0.283 -3.031 -4.265 1.00 0.00 C ATOM 1353 CD2 TYR A 111 -2.334 -2.753 -5.461 1.00 0.00 C ATOM 1354 CE1 TYR A 111 -0.952 -3.883 -3.315 1.00 0.00 C ATOM 1355 CE2 TYR A 111 -3.003 -3.605 -4.512 1.00 0.00 C ATOM 1356 CZ TYR A 111 -2.279 -4.128 -3.486 1.00 0.00 C ATOM 1357 OH TYR A 111 -2.911 -4.932 -2.590 1.00 0.00 O ATOM 0 H TYR A 111 1.977 -2.954 -5.573 1.00 0.00 H new ATOM 0 HA TYR A 111 0.370 -2.747 -8.065 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.193 -0.754 -5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -1.020 -1.143 -6.994 1.00 0.00 H new ATOM 0 HD1 TYR A 111 0.770 -2.821 -4.153 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.885 -2.325 -6.285 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -0.412 -4.317 -2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -4.056 -3.824 -4.613 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.350 -5.039 -1.794 1.00 0.00 H new ATOM 1367 N ILE A 112 1.399 -0.298 -8.366 1.00 0.00 N ATOM 1368 CA ILE A 112 2.295 0.737 -8.852 1.00 0.00 C ATOM 1369 C ILE A 112 1.508 2.034 -9.052 1.00 0.00 C ATOM 1370 O ILE A 112 0.506 2.052 -9.764 1.00 0.00 O ATOM 1371 CB ILE A 112 3.030 0.264 -10.107 1.00 0.00 C ATOM 1372 CG1 ILE A 112 4.427 -0.257 -9.761 1.00 0.00 C ATOM 1373 CG2 ILE A 112 3.075 1.368 -11.165 1.00 0.00 C ATOM 1374 CD1 ILE A 112 5.037 -1.016 -10.942 1.00 0.00 C ATOM 0 H ILE A 112 0.429 -0.197 -8.664 1.00 0.00 H new ATOM 0 HA ILE A 112 3.071 0.945 -8.116 1.00 0.00 H new ATOM 0 HB ILE A 112 2.473 -0.569 -10.535 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.073 0.577 -9.488 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.370 -0.913 -8.893 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.603 1.005 -12.047 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.059 1.649 -11.441 1.00 0.00 H new ATOM 0 HG23 ILE A 112 3.595 2.237 -10.762 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.029 -1.376 -10.670 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.401 -1.864 -11.197 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.115 -0.350 -11.801 1.00 0.00 H new ATOM 1386 N SER A 113 1.993 3.088 -8.411 1.00 0.00 N ATOM 1387 CA SER A 113 1.347 4.386 -8.510 1.00 0.00 C ATOM 1388 C SER A 113 0.679 4.535 -9.878 1.00 0.00 C ATOM 1389 O SER A 113 1.347 4.817 -10.872 1.00 0.00 O ATOM 1390 CB SER A 113 2.350 5.518 -8.283 1.00 0.00 C ATOM 1391 OG SER A 113 1.703 6.763 -8.031 1.00 0.00 O ATOM 0 H SER A 113 2.825 3.069 -7.822 1.00 0.00 H new ATOM 0 HA SER A 113 0.586 4.450 -7.733 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.995 5.268 -7.440 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.992 5.614 -9.158 1.00 0.00 H new ATOM 0 HG SER A 113 0.744 6.676 -8.212 1.00 0.00 H new ATOM 1397 N LYS A 114 -0.631 4.338 -9.886 1.00 0.00 N ATOM 1398 CA LYS A 114 -1.397 4.447 -11.116 1.00 0.00 C ATOM 1399 C LYS A 114 -1.419 5.908 -11.570 1.00 0.00 C ATOM 1400 O LYS A 114 -1.515 6.190 -12.763 1.00 0.00 O ATOM 1401 CB LYS A 114 -2.789 3.838 -10.936 1.00 0.00 C ATOM 1402 CG LYS A 114 -3.171 2.977 -12.142 1.00 0.00 C ATOM 1403 CD LYS A 114 -4.390 3.553 -12.864 1.00 0.00 C ATOM 1404 CE LYS A 114 -4.654 2.809 -14.174 1.00 0.00 C ATOM 1405 NZ LYS A 114 -3.535 3.011 -15.120 1.00 0.00 N ATOM 0 H LYS A 114 -1.182 4.103 -9.060 1.00 0.00 H new ATOM 0 HA LYS A 114 -0.923 3.872 -11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.810 3.232 -10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.523 4.633 -10.805 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.329 2.918 -12.832 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.386 1.960 -11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.266 3.483 -12.219 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.229 4.611 -13.069 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.782 1.745 -13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.583 3.164 -14.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.880 3.512 -15.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.791 3.575 -14.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.146 2.088 -15.400 1.00 0.00 H new ATOM 1419 N LYS A 115 -1.330 6.799 -10.593 1.00 0.00 N ATOM 1420 CA LYS A 115 -1.339 8.224 -10.877 1.00 0.00 C ATOM 1421 C LYS A 115 -0.088 8.587 -11.681 1.00 0.00 C ATOM 1422 O LYS A 115 0.015 9.693 -12.210 1.00 0.00 O ATOM 1423 CB LYS A 115 -1.494 9.028 -9.585 1.00 0.00 C ATOM 1424 CG LYS A 115 -2.398 10.243 -9.799 1.00 0.00 C ATOM 1425 CD LYS A 115 -1.586 11.540 -9.790 1.00 0.00 C ATOM 1426 CE LYS A 115 -1.241 11.961 -8.360 1.00 0.00 C ATOM 1427 NZ LYS A 115 -1.622 13.372 -8.130 1.00 0.00 N ATOM 0 H LYS A 115 -1.251 6.562 -9.604 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.201 8.484 -11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.913 8.392 -8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.514 9.356 -9.237 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.924 10.146 -10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.156 10.279 -9.016 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -0.669 11.403 -10.364 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.153 12.332 -10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.760 11.317 -7.650 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.173 11.833 -8.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.136 13.450 -7.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.766 13.961 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.233 13.698 -8.906 1.00 0.00 H new ATOM 1441 N HIS A 116 0.831 7.636 -11.746 1.00 0.00 N ATOM 1442 CA HIS A 116 2.071 7.841 -12.476 1.00 0.00 C ATOM 1443 C HIS A 116 2.904 6.559 -12.443 1.00 0.00 C ATOM 1444 O HIS A 116 4.002 6.541 -11.889 1.00 0.00 O ATOM 1445 CB HIS A 116 2.828 9.054 -11.931 1.00 0.00 C ATOM 1446 CG HIS A 116 2.387 9.483 -10.552 1.00 0.00 C ATOM 1447 ND1 HIS A 116 2.437 8.643 -9.453 1.00 0.00 N ATOM 1448 CD2 HIS A 116 1.890 10.672 -10.104 1.00 0.00 C ATOM 1449 CE1 HIS A 116 1.987 9.306 -8.398 1.00 0.00 C ATOM 1450 NE2 HIS A 116 1.648 10.564 -8.804 1.00 0.00 N ATOM 0 H HIS A 116 0.742 6.721 -11.305 1.00 0.00 H new ATOM 0 HA HIS A 116 1.850 8.062 -13.520 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.893 8.824 -11.906 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.699 9.889 -12.619 1.00 0.00 H new ATOM 0 HD1 HIS A 116 2.765 7.677 -9.455 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.722 11.553 -10.706 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.903 8.919 -7.393 1.00 0.00 H new ATOM 1458 N ALA A 117 2.350 5.516 -13.045 1.00 0.00 N ATOM 1459 CA ALA A 117 3.029 4.232 -13.092 1.00 0.00 C ATOM 1460 C ALA A 117 4.112 4.272 -14.171 1.00 0.00 C ATOM 1461 O ALA A 117 4.903 3.338 -14.297 1.00 0.00 O ATOM 1462 CB ALA A 117 2.005 3.121 -13.334 1.00 0.00 C ATOM 0 H ALA A 117 1.439 5.534 -13.504 1.00 0.00 H new ATOM 0 HA ALA A 117 3.519 4.022 -12.141 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.514 2.158 -13.369 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.275 3.116 -12.524 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.495 3.296 -14.281 1.00 0.00 H new ATOM 1468 N GLU A 118 4.114 5.362 -14.923 1.00 0.00 N ATOM 1469 CA GLU A 118 5.087 5.536 -15.988 1.00 0.00 C ATOM 1470 C GLU A 118 6.507 5.504 -15.420 1.00 0.00 C ATOM 1471 O GLU A 118 7.475 5.365 -16.166 1.00 0.00 O ATOM 1472 CB GLU A 118 4.833 6.834 -16.757 1.00 0.00 C ATOM 1473 CG GLU A 118 5.372 8.042 -15.987 1.00 0.00 C ATOM 1474 CD GLU A 118 4.862 9.351 -16.593 1.00 0.00 C ATOM 1475 OE1 GLU A 118 3.658 9.391 -16.925 1.00 0.00 O ATOM 1476 OE2 GLU A 118 5.689 10.281 -16.712 1.00 0.00 O ATOM 0 H GLU A 118 3.457 6.135 -14.816 1.00 0.00 H new ATOM 0 HA GLU A 118 4.979 4.710 -16.690 1.00 0.00 H new ATOM 0 HB2 GLU A 118 5.309 6.780 -17.736 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.764 6.956 -16.929 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.067 7.978 -14.943 1.00 0.00 H new ATOM 0 HG3 GLU A 118 6.462 8.031 -16.002 1.00 0.00 H new ATOM 1483 N LYS A 119 6.587 5.636 -14.104 1.00 0.00 N ATOM 1484 CA LYS A 119 7.872 5.625 -13.427 1.00 0.00 C ATOM 1485 C LYS A 119 7.994 4.346 -12.595 1.00 0.00 C ATOM 1486 O LYS A 119 8.962 4.172 -11.856 1.00 0.00 O ATOM 1487 CB LYS A 119 8.062 6.907 -12.614 1.00 0.00 C ATOM 1488 CG LYS A 119 9.372 7.603 -12.987 1.00 0.00 C ATOM 1489 CD LYS A 119 9.419 9.024 -12.419 1.00 0.00 C ATOM 1490 CE LYS A 119 10.389 9.900 -13.214 1.00 0.00 C ATOM 1491 NZ LYS A 119 11.261 10.670 -12.299 1.00 0.00 N ATOM 0 H LYS A 119 5.782 5.751 -13.488 1.00 0.00 H new ATOM 0 HA LYS A 119 8.684 5.613 -14.154 1.00 0.00 H new ATOM 0 HB2 LYS A 119 7.224 7.582 -12.791 1.00 0.00 H new ATOM 0 HB3 LYS A 119 8.062 6.671 -11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.215 7.027 -12.606 1.00 0.00 H new ATOM 0 HG3 LYS A 119 9.474 7.637 -14.072 1.00 0.00 H new ATOM 0 HD2 LYS A 119 8.422 9.463 -12.445 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.726 8.992 -11.374 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.999 9.277 -13.868 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.830 10.583 -13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 11.913 11.259 -12.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 10.676 11.279 -11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 11.808 10.013 -11.706 1.00 0.00 H new ATOM 1505 N ASN A 120 6.999 3.484 -12.744 1.00 0.00 N ATOM 1506 CA ASN A 120 6.982 2.227 -12.016 1.00 0.00 C ATOM 1507 C ASN A 120 7.088 2.510 -10.516 1.00 0.00 C ATOM 1508 O ASN A 120 7.704 1.743 -9.777 1.00 0.00 O ATOM 1509 CB ASN A 120 8.166 1.344 -12.415 1.00 0.00 C ATOM 1510 CG ASN A 120 8.123 1.010 -13.907 1.00 0.00 C ATOM 1511 OD1 ASN A 120 9.086 1.183 -14.636 1.00 0.00 O ATOM 1512 ND2 ASN A 120 6.956 0.524 -14.319 1.00 0.00 N ATOM 0 H ASN A 120 6.198 3.632 -13.359 1.00 0.00 H new ATOM 0 HA ASN A 120 6.051 1.712 -12.254 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.100 1.854 -12.180 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.150 0.423 -11.832 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.826 0.271 -15.299 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.191 0.404 -13.656 1.00 0.00 H new ATOM 1519 N TRP A 121 6.477 3.613 -10.110 1.00 0.00 N ATOM 1520 CA TRP A 121 6.494 4.007 -8.711 1.00 0.00 C ATOM 1521 C TRP A 121 5.703 2.965 -7.917 1.00 0.00 C ATOM 1522 O TRP A 121 4.558 3.207 -7.537 1.00 0.00 O ATOM 1523 CB TRP A 121 5.956 5.428 -8.535 1.00 0.00 C ATOM 1524 CG TRP A 121 6.940 6.523 -8.951 1.00 0.00 C ATOM 1525 CD1 TRP A 121 8.245 6.397 -9.228 1.00 0.00 C ATOM 1526 CD2 TRP A 121 6.644 7.925 -9.125 1.00 0.00 C ATOM 1527 NE1 TRP A 121 8.809 7.609 -9.568 1.00 0.00 N ATOM 1528 CE2 TRP A 121 7.805 8.568 -9.504 1.00 0.00 C ATOM 1529 CE3 TRP A 121 5.435 8.625 -8.969 1.00 0.00 C ATOM 1530 CZ2 TRP A 121 7.871 9.943 -9.757 1.00 0.00 C ATOM 1531 CZ3 TRP A 121 5.519 9.999 -9.227 1.00 0.00 C ATOM 1532 CH2 TRP A 121 6.679 10.662 -9.608 1.00 0.00 C ATOM 0 H TRP A 121 5.967 4.247 -10.725 1.00 0.00 H new ATOM 0 HA TRP A 121 7.515 4.034 -8.330 1.00 0.00 H new ATOM 0 HB2 TRP A 121 5.042 5.534 -9.119 1.00 0.00 H new ATOM 0 HB3 TRP A 121 5.685 5.576 -7.490 1.00 0.00 H new ATOM 0 HD1 TRP A 121 8.787 5.464 -9.190 1.00 0.00 H new ATOM 0 HE1 TRP A 121 9.784 7.772 -9.820 1.00 0.00 H new ATOM 0 HE3 TRP A 121 4.515 8.142 -8.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 8.792 10.424 -10.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.618 10.585 -9.122 1.00 0.00 H new ATOM 0 HH2 TRP A 121 6.661 11.727 -9.788 1.00 0.00 H new ATOM 1543 N PHE A 122 6.346 1.829 -7.689 1.00 0.00 N ATOM 1544 CA PHE A 122 5.717 0.750 -6.947 1.00 0.00 C ATOM 1545 C PHE A 122 5.255 1.228 -5.569 1.00 0.00 C ATOM 1546 O PHE A 122 5.653 2.300 -5.114 1.00 0.00 O ATOM 1547 CB PHE A 122 6.772 -0.343 -6.767 1.00 0.00 C ATOM 1548 CG PHE A 122 6.624 -1.517 -7.737 1.00 0.00 C ATOM 1549 CD1 PHE A 122 7.180 -1.450 -8.976 1.00 0.00 C ATOM 1550 CD2 PHE A 122 5.935 -2.628 -7.360 1.00 0.00 C ATOM 1551 CE1 PHE A 122 7.043 -2.539 -9.876 1.00 0.00 C ATOM 1552 CE2 PHE A 122 5.798 -3.717 -8.260 1.00 0.00 C ATOM 1553 CZ PHE A 122 6.354 -3.650 -9.500 1.00 0.00 C ATOM 0 H PHE A 122 7.296 1.633 -8.005 1.00 0.00 H new ATOM 0 HA PHE A 122 4.843 0.387 -7.488 1.00 0.00 H new ATOM 0 HB2 PHE A 122 7.761 0.097 -6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 122 6.719 -0.720 -5.746 1.00 0.00 H new ATOM 0 HD1 PHE A 122 7.726 -0.568 -9.275 1.00 0.00 H new ATOM 0 HD2 PHE A 122 5.492 -2.681 -6.376 1.00 0.00 H new ATOM 0 HE1 PHE A 122 7.486 -2.486 -10.860 1.00 0.00 H new ATOM 0 HE2 PHE A 122 5.252 -4.599 -7.960 1.00 0.00 H new ATOM 0 HZ PHE A 122 6.248 -4.478 -10.185 1.00 0.00 H new ATOM 1563 N VAL A 123 4.421 0.411 -4.943 1.00 0.00 N ATOM 1564 CA VAL A 123 3.901 0.738 -3.626 1.00 0.00 C ATOM 1565 C VAL A 123 4.556 -0.171 -2.584 1.00 0.00 C ATOM 1566 O VAL A 123 3.984 -1.188 -2.195 1.00 0.00 O ATOM 1567 CB VAL A 123 2.374 0.641 -3.628 1.00 0.00 C ATOM 1568 CG1 VAL A 123 1.911 -0.720 -4.153 1.00 0.00 C ATOM 1569 CG2 VAL A 123 1.805 0.913 -2.234 1.00 0.00 C ATOM 0 H VAL A 123 4.092 -0.477 -5.323 1.00 0.00 H new ATOM 0 HA VAL A 123 4.148 1.766 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 123 1.991 1.408 -4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.822 -0.762 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.271 -0.858 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.310 -1.510 -3.517 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.718 0.838 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.200 0.180 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 123 2.091 1.915 -1.914 1.00 0.00 H new ATOM 1579 N GLY A 124 5.747 0.228 -2.162 1.00 0.00 N ATOM 1580 CA GLY A 124 6.486 -0.537 -1.173 1.00 0.00 C ATOM 1581 C GLY A 124 7.435 0.363 -0.380 1.00 0.00 C ATOM 1582 O GLY A 124 8.233 1.096 -0.962 1.00 0.00 O ATOM 0 H GLY A 124 6.219 1.072 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.790 -1.026 -0.492 1.00 0.00 H new ATOM 0 HA3 GLY A 124 7.055 -1.324 -1.668 1.00 0.00 H new ATOM 1586 N LEU A 125 7.318 0.279 0.937 1.00 0.00 N ATOM 1587 CA LEU A 125 8.156 1.077 1.816 1.00 0.00 C ATOM 1588 C LEU A 125 9.551 0.453 1.889 1.00 0.00 C ATOM 1589 O LEU A 125 9.691 -0.728 2.203 1.00 0.00 O ATOM 1590 CB LEU A 125 7.488 1.250 3.182 1.00 0.00 C ATOM 1591 CG LEU A 125 5.987 0.957 3.236 1.00 0.00 C ATOM 1592 CD1 LEU A 125 5.725 -0.471 3.719 1.00 0.00 C ATOM 1593 CD2 LEU A 125 5.257 1.994 4.091 1.00 0.00 C ATOM 0 H LEU A 125 6.655 -0.330 1.417 1.00 0.00 H new ATOM 0 HA LEU A 125 8.277 2.084 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.991 0.598 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.650 2.275 3.517 1.00 0.00 H new ATOM 0 HG LEU A 125 5.587 1.034 2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 125 4.651 -0.654 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 125 6.195 -1.178 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.142 -0.600 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.192 1.763 4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.654 1.973 5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.404 2.986 3.664 1.00 0.00 H new ATOM 1605 N LYS A 126 10.548 1.274 1.592 1.00 0.00 N ATOM 1606 CA LYS A 126 11.927 0.817 1.620 1.00 0.00 C ATOM 1607 C LYS A 126 12.033 -0.417 2.518 1.00 0.00 C ATOM 1608 O LYS A 126 11.648 -0.374 3.685 1.00 0.00 O ATOM 1609 CB LYS A 126 12.861 1.958 2.029 1.00 0.00 C ATOM 1610 CG LYS A 126 14.327 1.534 1.915 1.00 0.00 C ATOM 1611 CD LYS A 126 15.184 2.239 2.968 1.00 0.00 C ATOM 1612 CE LYS A 126 16.666 2.188 2.591 1.00 0.00 C ATOM 1613 NZ LYS A 126 17.439 3.162 3.394 1.00 0.00 N ATOM 0 H LYS A 126 10.428 2.253 1.331 1.00 0.00 H new ATOM 0 HA LYS A 126 12.249 0.514 0.623 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.679 2.826 1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.645 2.260 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 126 14.408 0.454 2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 126 14.701 1.770 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 126 14.865 3.277 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 126 15.035 1.767 3.939 1.00 0.00 H new ATOM 0 HE2 LYS A 126 17.055 1.183 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 126 16.785 2.407 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 18.443 3.114 3.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 17.079 4.121 3.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 17.340 2.936 4.404 1.00 0.00 H new ATOM 1627 N LYS A 127 12.558 -1.487 1.939 1.00 0.00 N ATOM 1628 CA LYS A 127 12.719 -2.731 2.673 1.00 0.00 C ATOM 1629 C LYS A 127 13.748 -2.530 3.788 1.00 0.00 C ATOM 1630 O LYS A 127 14.768 -3.216 3.827 1.00 0.00 O ATOM 1631 CB LYS A 127 13.063 -3.875 1.718 1.00 0.00 C ATOM 1632 CG LYS A 127 14.333 -3.564 0.923 1.00 0.00 C ATOM 1633 CD LYS A 127 15.562 -4.191 1.585 1.00 0.00 C ATOM 1634 CE LYS A 127 16.472 -4.844 0.542 1.00 0.00 C ATOM 1635 NZ LYS A 127 17.582 -5.566 1.203 1.00 0.00 N ATOM 0 H LYS A 127 12.877 -1.518 0.971 1.00 0.00 H new ATOM 0 HA LYS A 127 11.782 -3.016 3.151 1.00 0.00 H new ATOM 0 HB2 LYS A 127 13.201 -4.797 2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 127 12.233 -4.043 1.032 1.00 0.00 H new ATOM 0 HG2 LYS A 127 14.231 -3.942 -0.094 1.00 0.00 H new ATOM 0 HG3 LYS A 127 14.466 -2.485 0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 127 16.116 -3.426 2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 127 15.246 -4.936 2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.894 -5.536 -0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.873 -4.083 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 18.190 -6.003 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 18.142 -4.898 1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 17.195 -6.305 1.823 1.00 0.00 H new ATOM 1649 N ASN A 128 13.443 -1.587 4.667 1.00 0.00 N ATOM 1650 CA ASN A 128 14.329 -1.287 5.780 1.00 0.00 C ATOM 1651 C ASN A 128 13.504 -0.756 6.954 1.00 0.00 C ATOM 1652 O ASN A 128 13.687 -1.187 8.091 1.00 0.00 O ATOM 1653 CB ASN A 128 15.351 -0.216 5.397 1.00 0.00 C ATOM 1654 CG ASN A 128 16.718 -0.516 6.015 1.00 0.00 C ATOM 1655 OD1 ASN A 128 16.835 -0.935 7.155 1.00 0.00 O ATOM 1656 ND2 ASN A 128 17.743 -0.280 5.201 1.00 0.00 N ATOM 0 H ASN A 128 12.595 -1.021 4.632 1.00 0.00 H new ATOM 0 HA ASN A 128 14.852 -2.204 6.051 1.00 0.00 H new ATOM 0 HB2 ASN A 128 15.442 -0.166 4.312 1.00 0.00 H new ATOM 0 HB3 ASN A 128 15.003 0.761 5.733 1.00 0.00 H new ATOM 0 HD21 ASN A 128 18.697 -0.450 5.520 1.00 0.00 H new ATOM 0 HD22 ASN A 128 17.575 0.071 4.258 1.00 0.00 H new ATOM 1663 N GLY A 129 12.613 0.172 6.637 1.00 0.00 N ATOM 1664 CA GLY A 129 11.759 0.766 7.652 1.00 0.00 C ATOM 1665 C GLY A 129 11.597 2.270 7.419 1.00 0.00 C ATOM 1666 O GLY A 129 12.015 3.078 8.248 1.00 0.00 O ATOM 0 H GLY A 129 12.464 0.527 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 129 10.781 0.284 7.637 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.186 0.591 8.640 1.00 0.00 H new ATOM 1670 N SER A 130 10.990 2.600 6.289 1.00 0.00 N ATOM 1671 CA SER A 130 10.769 3.993 5.937 1.00 0.00 C ATOM 1672 C SER A 130 10.308 4.098 4.482 1.00 0.00 C ATOM 1673 O SER A 130 10.945 3.548 3.585 1.00 0.00 O ATOM 1674 CB SER A 130 12.034 4.824 6.155 1.00 0.00 C ATOM 1675 OG SER A 130 12.109 5.346 7.479 1.00 0.00 O ATOM 0 H SER A 130 10.644 1.927 5.605 1.00 0.00 H new ATOM 0 HA SER A 130 9.990 4.391 6.588 1.00 0.00 H new ATOM 0 HB2 SER A 130 12.911 4.207 5.958 1.00 0.00 H new ATOM 0 HB3 SER A 130 12.055 5.646 5.440 1.00 0.00 H new ATOM 0 HG SER A 130 12.408 4.642 8.092 1.00 0.00 H new ATOM 1681 N CYS A 131 9.206 4.809 4.294 1.00 0.00 N ATOM 1682 CA CYS A 131 8.653 4.993 2.963 1.00 0.00 C ATOM 1683 C CYS A 131 9.763 5.517 2.050 1.00 0.00 C ATOM 1684 O CYS A 131 10.904 5.677 2.482 1.00 0.00 O ATOM 1685 CB CYS A 131 7.440 5.925 2.978 1.00 0.00 C ATOM 1686 SG CYS A 131 6.204 5.365 1.750 1.00 0.00 S ATOM 0 H CYS A 131 8.681 5.264 5.041 1.00 0.00 H new ATOM 0 HA CYS A 131 8.291 4.038 2.582 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.995 5.940 3.973 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.752 6.945 2.753 1.00 0.00 H new ATOM 0 HG CYS A 131 5.012 5.685 2.157 1.00 0.00 H new ATOM 1692 N LYS A 132 9.391 5.769 0.803 1.00 0.00 N ATOM 1693 CA LYS A 132 10.341 6.272 -0.174 1.00 0.00 C ATOM 1694 C LYS A 132 9.601 7.126 -1.205 1.00 0.00 C ATOM 1695 O LYS A 132 8.437 6.871 -1.508 1.00 0.00 O ATOM 1696 CB LYS A 132 11.138 5.119 -0.789 1.00 0.00 C ATOM 1697 CG LYS A 132 12.641 5.396 -0.725 1.00 0.00 C ATOM 1698 CD LYS A 132 13.112 5.533 0.725 1.00 0.00 C ATOM 1699 CE LYS A 132 14.619 5.299 0.836 1.00 0.00 C ATOM 1700 NZ LYS A 132 15.266 6.416 1.561 1.00 0.00 N ATOM 0 H LYS A 132 8.445 5.634 0.447 1.00 0.00 H new ATOM 0 HA LYS A 132 11.076 6.917 0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 132 10.912 4.193 -0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 132 10.835 4.975 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.185 4.587 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.870 6.310 -1.273 1.00 0.00 H new ATOM 0 HD2 LYS A 132 12.866 6.527 1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 132 12.582 4.817 1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 132 14.810 4.361 1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 132 15.052 5.205 -0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 16.289 6.241 1.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.100 7.305 1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.865 6.488 2.518 1.00 0.00 H new ATOM 1714 N ARG A 133 10.308 8.124 -1.716 1.00 0.00 N ATOM 1715 CA ARG A 133 9.733 9.018 -2.707 1.00 0.00 C ATOM 1716 C ARG A 133 9.515 8.277 -4.028 1.00 0.00 C ATOM 1717 O ARG A 133 10.152 7.256 -4.284 1.00 0.00 O ATOM 1718 CB ARG A 133 10.640 10.225 -2.952 1.00 0.00 C ATOM 1719 CG ARG A 133 9.829 11.434 -3.423 1.00 0.00 C ATOM 1720 CD ARG A 133 10.740 12.632 -3.698 1.00 0.00 C ATOM 1721 NE ARG A 133 9.960 13.731 -4.310 1.00 0.00 N ATOM 1722 CZ ARG A 133 10.501 14.857 -4.795 1.00 0.00 C ATOM 1723 NH1 ARG A 133 11.828 15.039 -4.742 1.00 0.00 N ATOM 1724 NH2 ARG A 133 9.716 15.800 -5.332 1.00 0.00 N ATOM 0 H ARG A 133 11.274 8.333 -1.462 1.00 0.00 H new ATOM 0 HA ARG A 133 8.776 9.369 -2.321 1.00 0.00 H new ATOM 0 HB2 ARG A 133 11.174 10.475 -2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.392 9.973 -3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 133 9.278 11.177 -4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 133 9.092 11.700 -2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 133 11.197 12.973 -2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 133 11.552 12.337 -4.363 1.00 0.00 H new ATOM 0 HE ARG A 133 8.947 13.625 -4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 133 12.425 14.321 -4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.240 15.896 -5.111 1.00 0.00 H new ATOM 0 HH21 ARG A 133 8.706 15.661 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 133 10.128 16.657 -5.701 1.00 0.00 H new ATOM 1738 N GLY A 134 8.613 8.819 -4.832 1.00 0.00 N ATOM 1739 CA GLY A 134 8.303 8.222 -6.120 1.00 0.00 C ATOM 1740 C GLY A 134 9.559 7.641 -6.772 1.00 0.00 C ATOM 1741 O GLY A 134 9.606 6.454 -7.090 1.00 0.00 O ATOM 0 H GLY A 134 8.086 9.666 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.559 7.436 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.862 8.973 -6.776 1.00 0.00 H new ATOM 1745 N PRO A 135 10.573 8.528 -6.956 1.00 0.00 N ATOM 1746 CA PRO A 135 11.827 8.116 -7.564 1.00 0.00 C ATOM 1747 C PRO A 135 12.671 7.302 -6.582 1.00 0.00 C ATOM 1748 O PRO A 135 13.797 7.681 -6.263 1.00 0.00 O ATOM 1749 CB PRO A 135 12.499 9.409 -7.995 1.00 0.00 C ATOM 1750 CG PRO A 135 11.822 10.515 -7.202 1.00 0.00 C ATOM 1751 CD PRO A 135 10.554 9.942 -6.592 1.00 0.00 C ATOM 0 HA PRO A 135 11.683 7.454 -8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 135 13.569 9.380 -7.790 1.00 0.00 H new ATOM 0 HB3 PRO A 135 12.384 9.570 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 135 12.486 10.887 -6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 135 11.586 11.360 -7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 135 10.541 10.072 -5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 135 9.667 10.440 -6.983 1.00 0.00 H new ATOM 1759 N ARG A 136 12.095 6.198 -6.129 1.00 0.00 N ATOM 1760 CA ARG A 136 12.780 5.327 -5.190 1.00 0.00 C ATOM 1761 C ARG A 136 11.837 4.226 -4.701 1.00 0.00 C ATOM 1762 O ARG A 136 11.853 3.866 -3.525 1.00 0.00 O ATOM 1763 CB ARG A 136 13.300 6.115 -3.986 1.00 0.00 C ATOM 1764 CG ARG A 136 14.769 6.499 -4.174 1.00 0.00 C ATOM 1765 CD ARG A 136 15.605 6.075 -2.965 1.00 0.00 C ATOM 1766 NE ARG A 136 16.613 7.114 -2.657 1.00 0.00 N ATOM 1767 CZ ARG A 136 17.751 6.882 -1.989 1.00 0.00 C ATOM 1768 NH1 ARG A 136 18.033 5.646 -1.555 1.00 0.00 N ATOM 1769 NH2 ARG A 136 18.607 7.886 -1.755 1.00 0.00 N ATOM 0 H ARG A 136 11.161 5.887 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 136 13.627 4.880 -5.711 1.00 0.00 H new ATOM 0 HB2 ARG A 136 12.700 7.015 -3.849 1.00 0.00 H new ATOM 0 HB3 ARG A 136 13.190 5.518 -3.081 1.00 0.00 H new ATOM 0 HG2 ARG A 136 15.160 6.026 -5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 136 14.852 7.576 -4.318 1.00 0.00 H new ATOM 0 HD2 ARG A 136 14.958 5.917 -2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 136 16.100 5.126 -3.170 1.00 0.00 H new ATOM 0 HE ARG A 136 16.430 8.066 -2.973 1.00 0.00 H new ATOM 0 HH11 ARG A 136 17.381 4.882 -1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 136 18.899 5.469 -1.046 1.00 0.00 H new ATOM 0 HH21 ARG A 136 18.392 8.827 -2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 136 19.473 7.709 -1.246 1.00 0.00 H new ATOM 1783 N THR A 137 11.037 3.721 -5.629 1.00 0.00 N ATOM 1784 CA THR A 137 10.089 2.668 -5.308 1.00 0.00 C ATOM 1785 C THR A 137 9.758 1.849 -6.557 1.00 0.00 C ATOM 1786 O THR A 137 8.931 2.257 -7.371 1.00 0.00 O ATOM 1787 CB THR A 137 8.862 3.317 -4.665 1.00 0.00 C ATOM 1788 OG1 THR A 137 7.988 2.223 -4.401 1.00 0.00 O ATOM 1789 CG2 THR A 137 8.079 4.191 -5.647 1.00 0.00 C ATOM 0 H THR A 137 11.026 4.022 -6.604 1.00 0.00 H new ATOM 0 HA THR A 137 10.511 1.959 -4.596 1.00 0.00 H new ATOM 0 HB THR A 137 9.176 3.920 -3.813 1.00 0.00 H new ATOM 0 HG1 THR A 137 7.059 2.534 -4.421 1.00 0.00 H new ATOM 0 HG21 THR A 137 7.219 4.627 -5.140 1.00 0.00 H new ATOM 0 HG22 THR A 137 8.723 4.988 -6.019 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.736 3.581 -6.483 1.00 0.00 H new ATOM 1797 N HIS A 138 10.421 0.707 -6.670 1.00 0.00 N ATOM 1798 CA HIS A 138 10.208 -0.173 -7.806 1.00 0.00 C ATOM 1799 C HIS A 138 10.208 -1.628 -7.334 1.00 0.00 C ATOM 1800 O HIS A 138 9.790 -1.922 -6.216 1.00 0.00 O ATOM 1801 CB HIS A 138 11.241 0.095 -8.902 1.00 0.00 C ATOM 1802 CG HIS A 138 11.421 1.557 -9.233 1.00 0.00 C ATOM 1803 ND1 HIS A 138 11.815 2.495 -8.295 1.00 0.00 N ATOM 1804 CD2 HIS A 138 11.256 2.232 -10.407 1.00 0.00 C ATOM 1805 CE1 HIS A 138 11.881 3.678 -8.888 1.00 0.00 C ATOM 1806 NE2 HIS A 138 11.534 3.513 -10.197 1.00 0.00 N ATOM 0 H HIS A 138 11.106 0.371 -5.993 1.00 0.00 H new ATOM 0 HA HIS A 138 9.233 0.029 -8.250 1.00 0.00 H new ATOM 0 HB2 HIS A 138 12.201 -0.317 -8.591 1.00 0.00 H new ATOM 0 HB3 HIS A 138 10.943 -0.437 -9.805 1.00 0.00 H new ATOM 0 HD2 HIS A 138 10.951 1.798 -11.348 1.00 0.00 H new ATOM 0 HE1 HIS A 138 12.160 4.609 -8.418 1.00 0.00 H new ATOM 0 HE2 HIS A 138 11.495 4.252 -10.899 1.00 0.00 H new ATOM 1814 N TYR A 139 10.683 -2.501 -8.211 1.00 0.00 N ATOM 1815 CA TYR A 139 10.742 -3.919 -7.899 1.00 0.00 C ATOM 1816 C TYR A 139 11.765 -4.194 -6.795 1.00 0.00 C ATOM 1817 O TYR A 139 12.141 -3.289 -6.051 1.00 0.00 O ATOM 1818 CB TYR A 139 11.196 -4.615 -9.183 1.00 0.00 C ATOM 1819 CG TYR A 139 10.151 -5.558 -9.783 1.00 0.00 C ATOM 1820 CD1 TYR A 139 9.418 -6.389 -8.960 1.00 0.00 C ATOM 1821 CD2 TYR A 139 9.941 -5.577 -11.147 1.00 0.00 C ATOM 1822 CE1 TYR A 139 8.435 -7.276 -9.524 1.00 0.00 C ATOM 1823 CE2 TYR A 139 8.957 -6.465 -11.711 1.00 0.00 C ATOM 1824 CZ TYR A 139 8.253 -7.270 -10.872 1.00 0.00 C ATOM 1825 OH TYR A 139 7.324 -8.108 -11.405 1.00 0.00 O ATOM 0 H TYR A 139 11.030 -2.253 -9.137 1.00 0.00 H new ATOM 0 HA TYR A 139 9.773 -4.276 -7.550 1.00 0.00 H new ATOM 0 HB2 TYR A 139 11.454 -3.857 -9.923 1.00 0.00 H new ATOM 0 HB3 TYR A 139 12.104 -5.181 -8.976 1.00 0.00 H new ATOM 0 HD1 TYR A 139 9.582 -6.374 -7.893 1.00 0.00 H new ATOM 0 HD2 TYR A 139 10.514 -4.926 -11.791 1.00 0.00 H new ATOM 0 HE1 TYR A 139 7.855 -7.932 -8.891 1.00 0.00 H new ATOM 0 HE2 TYR A 139 8.783 -6.491 -12.777 1.00 0.00 H new ATOM 0 HH TYR A 139 7.302 -7.995 -12.378 1.00 0.00 H new ATOM 1891 N ILE A 144 6.925 -3.993 -1.673 1.00 0.00 N ATOM 1892 CA ILE A 144 5.846 -4.080 -2.642 1.00 0.00 C ATOM 1893 C ILE A 144 5.127 -5.421 -2.478 1.00 0.00 C ATOM 1894 O ILE A 144 3.921 -5.515 -2.701 1.00 0.00 O ATOM 1895 CB ILE A 144 6.373 -3.834 -4.056 1.00 0.00 C ATOM 1896 CG1 ILE A 144 7.275 -4.983 -4.513 1.00 0.00 C ATOM 1897 CG2 ILE A 144 7.078 -2.479 -4.150 1.00 0.00 C ATOM 1898 CD1 ILE A 144 7.439 -4.980 -6.034 1.00 0.00 C ATOM 0 HA ILE A 144 5.109 -3.298 -2.462 1.00 0.00 H new ATOM 0 HB ILE A 144 5.523 -3.802 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 144 8.252 -4.894 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 144 6.850 -5.934 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 144 7.443 -2.329 -5.166 1.00 0.00 H new ATOM 0 HG22 ILE A 144 6.376 -1.685 -3.896 1.00 0.00 H new ATOM 0 HG23 ILE A 144 7.918 -2.457 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 144 8.084 -5.806 -6.332 1.00 0.00 H new ATOM 0 HD12 ILE A 144 6.463 -5.094 -6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 144 7.887 -4.038 -6.350 1.00 0.00 H new ATOM 1910 N LEU A 145 5.898 -6.426 -2.089 1.00 0.00 N ATOM 1911 CA LEU A 145 5.351 -7.757 -1.893 1.00 0.00 C ATOM 1912 C LEU A 145 4.425 -7.749 -0.675 1.00 0.00 C ATOM 1913 O LEU A 145 4.811 -8.196 0.405 1.00 0.00 O ATOM 1914 CB LEU A 145 6.475 -8.792 -1.805 1.00 0.00 C ATOM 1915 CG LEU A 145 6.228 -10.114 -2.533 1.00 0.00 C ATOM 1916 CD1 LEU A 145 5.921 -9.876 -4.013 1.00 0.00 C ATOM 1917 CD2 LEU A 145 7.403 -11.075 -2.339 1.00 0.00 C ATOM 0 H LEU A 145 6.898 -6.345 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 145 4.747 -8.050 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 145 7.386 -8.345 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 145 6.661 -9.009 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 145 5.350 -10.587 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 145 5.749 -10.832 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 145 5.030 -9.255 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 145 6.765 -9.371 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 145 7.202 -12.007 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 145 8.312 -10.623 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 145 7.533 -11.281 -1.277 1.00 0.00 H new ATOM 1929 N PHE A 146 3.222 -7.237 -0.889 1.00 0.00 N ATOM 1930 CA PHE A 146 2.239 -7.164 0.179 1.00 0.00 C ATOM 1931 C PHE A 146 1.308 -8.378 0.149 1.00 0.00 C ATOM 1932 O PHE A 146 0.748 -8.709 -0.895 1.00 0.00 O ATOM 1933 CB PHE A 146 1.415 -5.897 -0.057 1.00 0.00 C ATOM 1934 CG PHE A 146 2.142 -4.603 0.315 1.00 0.00 C ATOM 1935 CD1 PHE A 146 2.964 -4.573 1.398 1.00 0.00 C ATOM 1936 CD2 PHE A 146 1.966 -3.484 -0.437 1.00 0.00 C ATOM 1937 CE1 PHE A 146 3.639 -3.372 1.743 1.00 0.00 C ATOM 1938 CE2 PHE A 146 2.640 -2.283 -0.091 1.00 0.00 C ATOM 1939 CZ PHE A 146 3.463 -2.253 0.992 1.00 0.00 C ATOM 0 H PHE A 146 2.906 -6.869 -1.786 1.00 0.00 H new ATOM 0 HA PHE A 146 2.740 -7.148 1.147 1.00 0.00 H new ATOM 0 HB2 PHE A 146 1.130 -5.852 -1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.493 -5.963 0.521 1.00 0.00 H new ATOM 0 HD1 PHE A 146 3.103 -5.462 1.995 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.314 -3.509 -1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.292 -3.348 2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 146 2.499 -1.394 -0.687 1.00 0.00 H new ATOM 0 HZ PHE A 146 3.976 -1.340 1.255 1.00 0.00 H new ATOM 1949 N LEU A 147 1.170 -9.007 1.307 1.00 0.00 N ATOM 1950 CA LEU A 147 0.316 -10.176 1.427 1.00 0.00 C ATOM 1951 C LEU A 147 -0.777 -9.900 2.461 1.00 0.00 C ATOM 1952 O LEU A 147 -0.486 -9.476 3.579 1.00 0.00 O ATOM 1953 CB LEU A 147 1.152 -11.421 1.733 1.00 0.00 C ATOM 1954 CG LEU A 147 0.388 -12.746 1.780 1.00 0.00 C ATOM 1955 CD1 LEU A 147 0.767 -13.639 0.597 1.00 0.00 C ATOM 1956 CD2 LEU A 147 0.597 -13.451 3.121 1.00 0.00 C ATOM 0 H LEU A 147 1.636 -8.729 2.171 1.00 0.00 H new ATOM 0 HA LEU A 147 -0.185 -10.381 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 147 1.936 -11.503 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 147 1.647 -11.275 2.693 1.00 0.00 H new ATOM 0 HG LEU A 147 -0.677 -12.531 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 147 0.210 -14.574 0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.526 -13.129 -0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 147 1.836 -13.851 0.629 1.00 0.00 H new ATOM 0 HD21 LEU A 147 0.044 -14.390 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 147 1.658 -13.654 3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 147 0.238 -12.812 3.928 1.00 0.00 H new ATOM 1968 N PRO A 148 -2.044 -10.158 2.041 1.00 0.00 N ATOM 1969 CA PRO A 148 -3.182 -9.942 2.919 1.00 0.00 C ATOM 1970 C PRO A 148 -3.273 -11.041 3.980 1.00 0.00 C ATOM 1971 O PRO A 148 -3.256 -12.227 3.654 1.00 0.00 O ATOM 1972 CB PRO A 148 -4.389 -9.907 1.996 1.00 0.00 C ATOM 1973 CG PRO A 148 -3.943 -10.564 0.700 1.00 0.00 C ATOM 1974 CD PRO A 148 -2.426 -10.661 0.725 1.00 0.00 C ATOM 0 HA PRO A 148 -3.104 -9.015 3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.232 -10.441 2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -4.717 -8.882 1.821 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.387 -11.554 0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.274 -9.979 -0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.093 -11.689 0.582 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.978 -10.067 -0.071 1.00 0.00 H new ATOM 1982 N LEU A 149 -3.367 -10.607 5.228 1.00 0.00 N ATOM 1983 CA LEU A 149 -3.461 -11.539 6.339 1.00 0.00 C ATOM 1984 C LEU A 149 -4.635 -11.141 7.236 1.00 0.00 C ATOM 1985 O LEU A 149 -4.463 -10.941 8.437 1.00 0.00 O ATOM 1986 CB LEU A 149 -2.124 -11.626 7.079 1.00 0.00 C ATOM 1987 CG LEU A 149 -1.905 -10.599 8.192 1.00 0.00 C ATOM 1988 CD1 LEU A 149 -2.124 -11.228 9.569 1.00 0.00 C ATOM 1989 CD2 LEU A 149 -0.526 -9.947 8.072 1.00 0.00 C ATOM 0 H LEU A 149 -3.380 -9.623 5.495 1.00 0.00 H new ATOM 0 HA LEU A 149 -3.665 -12.546 5.975 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -2.034 -12.623 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -1.320 -11.519 6.350 1.00 0.00 H new ATOM 0 HG LEU A 149 -2.646 -9.808 8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.962 -10.477 10.342 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -3.144 -11.606 9.638 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -1.422 -12.050 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -0.396 -9.221 8.875 1.00 0.00 H new ATOM 0 HD22 LEU A 149 0.246 -10.713 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.445 -9.442 7.110 1.00 0.00 H new ATOM 2001 N PRO A 150 -5.833 -11.035 6.601 1.00 0.00 N ATOM 2002 CA PRO A 150 -7.035 -10.664 7.328 1.00 0.00 C ATOM 2003 C PRO A 150 -7.547 -11.832 8.172 1.00 0.00 C ATOM 2004 O PRO A 150 -6.849 -12.831 8.345 1.00 0.00 O ATOM 2005 CB PRO A 150 -8.022 -10.227 6.258 1.00 0.00 C ATOM 2006 CG PRO A 150 -7.505 -10.806 4.951 1.00 0.00 C ATOM 2007 CD PRO A 150 -6.074 -11.264 5.179 1.00 0.00 C ATOM 0 HA PRO A 150 -6.863 -9.861 8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -9.024 -10.594 6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -8.085 -9.140 6.206 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -8.127 -11.642 4.631 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -7.545 -10.058 4.159 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -5.949 -12.316 4.921 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -5.375 -10.699 4.563 1.00 0.00 H new ATOM 2015 N VAL A 151 -8.761 -11.669 8.677 1.00 0.00 N ATOM 2016 CA VAL A 151 -9.375 -12.698 9.499 1.00 0.00 C ATOM 2017 C VAL A 151 -10.821 -12.304 9.805 1.00 0.00 C ATOM 2018 O VAL A 151 -11.300 -12.504 10.921 1.00 0.00 O ATOM 2019 CB VAL A 151 -8.538 -12.928 10.759 1.00 0.00 C ATOM 2020 CG1 VAL A 151 -7.567 -14.094 10.567 1.00 0.00 C ATOM 2021 CG2 VAL A 151 -7.793 -11.654 11.163 1.00 0.00 C ATOM 0 H VAL A 151 -9.336 -10.839 8.533 1.00 0.00 H new ATOM 0 HA VAL A 151 -9.403 -13.648 8.965 1.00 0.00 H new ATOM 0 HB VAL A 151 -9.218 -13.189 11.570 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -6.984 -14.236 11.477 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -8.128 -15.003 10.350 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -6.895 -13.875 9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -7.206 -11.845 12.061 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -7.129 -11.349 10.354 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -8.512 -10.859 11.362 1.00 0.00 H new