USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 596 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 28 MET CE :methyl -138:sc= -1.02 (180deg=-0.554) USER MOD Set 1.2: A 33 SER OG : rot -60:sc= -1.06 USER MOD Single : A 9 THR OG1 : rot -18:sc= 0.741 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 90:sc= 0.672 USER MOD Single : A 16 ASN : amide:sc= 0.958 K(o=0.96,f=-0.53) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -116:sc= 1.02 (180deg=-0.88!) USER MOD Single : A 44 ASN : amide:sc= -4.41! K(o=-4.4!,f=-0.99) USER MOD Single : A 45 GLN : amide:sc= -3.13 K(o=-3.1,f=-5.2!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 20:sc= -5.46! USER MOD Single : A 51 TYR OH : rot -173:sc= -1.02! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -160:sc= -0.47 USER MOD Single : A 65 THR OG1 : rot -160:sc= -5.35! USER MOD ----------------------------------------------------------------- ATOM 73 N THR A 9 12.461 -5.191 0.835 1.00 0.00 N ATOM 74 CA THR A 9 11.573 -4.057 0.644 1.00 0.00 C ATOM 75 C THR A 9 10.319 -4.485 -0.121 1.00 0.00 C ATOM 76 O THR A 9 10.256 -5.596 -0.646 1.00 0.00 O ATOM 77 CB THR A 9 12.363 -2.950 -0.057 1.00 0.00 C ATOM 78 OG1 THR A 9 13.106 -3.636 -1.061 1.00 0.00 O ATOM 79 CG2 THR A 9 13.435 -2.335 0.846 1.00 0.00 C ATOM 0 HA THR A 9 11.218 -3.668 1.598 1.00 0.00 H new ATOM 0 HB THR A 9 11.678 -2.170 -0.391 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.145 -4.591 -0.844 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.966 -1.555 0.301 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.963 -1.903 1.729 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.140 -3.108 1.152 1.00 0.00 H new ATOM 87 N VAL A 10 9.351 -3.581 -0.160 1.00 0.00 N ATOM 88 CA VAL A 10 8.102 -3.851 -0.852 1.00 0.00 C ATOM 89 C VAL A 10 7.727 -2.640 -1.710 1.00 0.00 C ATOM 90 O VAL A 10 7.983 -1.500 -1.326 1.00 0.00 O ATOM 91 CB VAL A 10 7.016 -4.229 0.157 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.674 -4.456 -0.542 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.426 -5.459 0.969 1.00 0.00 C ATOM 0 H VAL A 10 9.406 -2.661 0.276 1.00 0.00 H new ATOM 0 HA VAL A 10 8.213 -4.703 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 10 6.897 -3.395 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.919 -4.723 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.372 -3.543 -1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.774 -5.264 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.636 -5.706 1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.587 -6.302 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.347 -5.247 1.511 1.00 0.00 H new ATOM 103 N LYS A 11 7.126 -2.930 -2.854 1.00 0.00 N ATOM 104 CA LYS A 11 6.713 -1.879 -3.769 1.00 0.00 C ATOM 105 C LYS A 11 5.258 -1.502 -3.482 1.00 0.00 C ATOM 106 O LYS A 11 4.401 -2.375 -3.354 1.00 0.00 O ATOM 107 CB LYS A 11 6.965 -2.300 -5.218 1.00 0.00 C ATOM 108 CG LYS A 11 8.463 -2.429 -5.499 1.00 0.00 C ATOM 109 CD LYS A 11 8.751 -3.634 -6.398 1.00 0.00 C ATOM 110 CE LYS A 11 10.234 -4.007 -6.356 1.00 0.00 C ATOM 111 NZ LYS A 11 10.575 -4.905 -7.482 1.00 0.00 N ATOM 0 H LYS A 11 6.915 -3.877 -3.169 1.00 0.00 H new ATOM 0 HA LYS A 11 7.312 -0.982 -3.614 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.471 -3.252 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.526 -1.567 -5.895 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.827 -1.519 -5.977 1.00 0.00 H new ATOM 0 HG3 LYS A 11 9.005 -2.534 -4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.149 -4.484 -6.077 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.459 -3.406 -7.423 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.843 -3.105 -6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.465 -4.496 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.585 -5.148 -7.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.007 -5.774 -7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.373 -4.425 -8.382 1.00 0.00 H new ATOM 125 N VAL A 12 5.024 -0.201 -3.390 1.00 0.00 N ATOM 126 CA VAL A 12 3.688 0.302 -3.121 1.00 0.00 C ATOM 127 C VAL A 12 3.245 1.203 -4.276 1.00 0.00 C ATOM 128 O VAL A 12 4.001 2.064 -4.721 1.00 0.00 O ATOM 129 CB VAL A 12 3.659 1.010 -1.765 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.325 1.729 -1.551 1.00 0.00 C ATOM 131 CG2 VAL A 12 3.940 0.027 -0.627 1.00 0.00 C ATOM 0 H VAL A 12 5.738 0.520 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 12 2.975 -0.520 -3.058 1.00 0.00 H new ATOM 0 HB VAL A 12 4.449 1.761 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.330 2.224 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.182 2.471 -2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.512 1.004 -1.584 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.914 0.556 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.183 -0.757 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.924 -0.420 -0.767 1.00 0.00 H new ATOM 141 N TYR A 13 2.020 0.973 -4.727 1.00 0.00 N ATOM 142 CA TYR A 13 1.468 1.754 -5.821 1.00 0.00 C ATOM 143 C TYR A 13 0.553 2.863 -5.296 1.00 0.00 C ATOM 144 O TYR A 13 -0.487 2.585 -4.703 1.00 0.00 O ATOM 145 CB TYR A 13 0.637 0.778 -6.658 1.00 0.00 C ATOM 146 CG TYR A 13 1.470 -0.268 -7.402 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.560 0.123 -8.151 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.130 -1.603 -7.323 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.344 -0.861 -8.852 1.00 0.00 C ATOM 150 CE2 TYR A 13 1.913 -2.588 -8.023 1.00 0.00 C ATOM 151 CZ TYR A 13 2.982 -2.168 -8.753 1.00 0.00 C ATOM 152 OH TYR A 13 3.722 -3.098 -9.414 1.00 0.00 O ATOM 0 H TYR A 13 1.395 0.258 -4.355 1.00 0.00 H new ATOM 0 HA TYR A 13 2.265 2.226 -6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.071 0.267 -6.005 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.051 1.344 -7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.826 1.168 -8.212 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.277 -1.909 -6.736 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.199 -0.568 -9.442 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.658 -3.636 -7.970 1.00 0.00 H new ATOM 0 HH TYR A 13 4.444 -3.415 -8.832 1.00 0.00 H new ATOM 162 N LEU A 14 0.976 4.096 -5.535 1.00 0.00 N ATOM 163 CA LEU A 14 0.208 5.248 -5.093 1.00 0.00 C ATOM 164 C LEU A 14 -0.986 5.448 -6.029 1.00 0.00 C ATOM 165 O LEU A 14 -1.017 4.898 -7.128 1.00 0.00 O ATOM 166 CB LEU A 14 1.109 6.479 -4.974 1.00 0.00 C ATOM 167 CG LEU A 14 1.751 6.710 -3.605 1.00 0.00 C ATOM 168 CD1 LEU A 14 3.016 7.562 -3.729 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.746 7.315 -2.623 1.00 0.00 C ATOM 0 H LEU A 14 1.840 4.322 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.194 5.078 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.903 6.397 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.522 7.361 -5.231 1.00 0.00 H new ATOM 0 HG LEU A 14 2.053 5.743 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.453 7.711 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.736 7.054 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.762 8.529 -4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.228 7.469 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.391 8.271 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.099 6.637 -2.503 1.00 0.00 H new ATOM 181 N PRO A 15 -1.965 6.260 -5.546 1.00 0.00 N ATOM 182 CA PRO A 15 -3.158 6.540 -6.326 1.00 0.00 C ATOM 183 C PRO A 15 -2.854 7.523 -7.458 1.00 0.00 C ATOM 184 O PRO A 15 -3.011 8.732 -7.294 1.00 0.00 O ATOM 185 CB PRO A 15 -4.166 7.080 -5.325 1.00 0.00 C ATOM 186 CG PRO A 15 -3.357 7.518 -4.115 1.00 0.00 C ATOM 187 CD PRO A 15 -1.962 6.929 -4.248 1.00 0.00 C ATOM 0 HA PRO A 15 -3.550 5.655 -6.827 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.724 7.917 -5.745 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.894 6.316 -5.053 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.309 8.606 -4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.830 7.175 -3.195 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.198 7.706 -4.204 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.750 6.227 -3.441 1.00 0.00 H new ATOM 195 N ASN A 16 -2.425 6.968 -8.582 1.00 0.00 N ATOM 196 CA ASN A 16 -2.098 7.781 -9.741 1.00 0.00 C ATOM 197 C ASN A 16 -1.293 6.942 -10.736 1.00 0.00 C ATOM 198 O ASN A 16 -1.692 6.788 -11.889 1.00 0.00 O ATOM 199 CB ASN A 16 -1.247 8.989 -9.344 1.00 0.00 C ATOM 200 CG ASN A 16 -1.925 10.297 -9.758 1.00 0.00 C ATOM 201 OD1 ASN A 16 -1.657 10.861 -10.806 1.00 0.00 O ATOM 202 ND2 ASN A 16 -2.817 10.745 -8.879 1.00 0.00 N ATOM 0 H ASN A 16 -2.296 5.965 -8.715 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.032 8.128 -10.184 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.084 8.985 -8.266 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.267 8.918 -9.815 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.325 11.610 -9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.993 10.223 -8.020 1.00 0.00 H new ATOM 209 N LYS A 17 -0.173 6.423 -10.254 1.00 0.00 N ATOM 210 CA LYS A 17 0.692 5.605 -11.086 1.00 0.00 C ATOM 211 C LYS A 17 2.051 5.447 -10.402 1.00 0.00 C ATOM 212 O LYS A 17 2.732 4.441 -10.591 1.00 0.00 O ATOM 213 CB LYS A 17 0.778 6.183 -12.500 1.00 0.00 C ATOM 214 CG LYS A 17 0.910 7.707 -12.462 1.00 0.00 C ATOM 215 CD LYS A 17 1.655 8.224 -13.694 1.00 0.00 C ATOM 216 CE LYS A 17 2.611 9.359 -13.321 1.00 0.00 C ATOM 217 NZ LYS A 17 3.979 9.062 -13.801 1.00 0.00 N ATOM 0 H LYS A 17 0.155 6.554 -9.297 1.00 0.00 H new ATOM 0 HA LYS A 17 0.275 4.604 -11.200 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.633 5.753 -13.021 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.112 5.905 -13.065 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.080 8.160 -12.415 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.441 8.007 -11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.214 7.409 -14.154 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.938 8.577 -14.435 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.261 10.295 -13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.620 9.494 -12.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.615 9.842 -13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.316 8.180 -13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.968 8.955 -14.835 1.00 0.00 H new ATOM 231 N GLN A 18 2.405 6.457 -9.620 1.00 0.00 N ATOM 232 CA GLN A 18 3.671 6.443 -8.907 1.00 0.00 C ATOM 233 C GLN A 18 3.698 5.293 -7.897 1.00 0.00 C ATOM 234 O GLN A 18 2.656 4.734 -7.559 1.00 0.00 O ATOM 235 CB GLN A 18 3.926 7.784 -8.217 1.00 0.00 C ATOM 236 CG GLN A 18 4.319 8.858 -9.233 1.00 0.00 C ATOM 237 CD GLN A 18 5.836 9.055 -9.264 1.00 0.00 C ATOM 238 OE1 GLN A 18 6.402 9.830 -8.513 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.459 8.311 -10.174 1.00 0.00 N ATOM 0 H GLN A 18 1.837 7.290 -9.465 1.00 0.00 H new ATOM 0 HA GLN A 18 4.472 6.286 -9.630 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.030 8.097 -7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.718 7.671 -7.477 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.965 8.573 -10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.832 9.799 -8.979 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.923 7.682 -10.772 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.472 8.370 -10.274 1.00 0.00 H new ATOM 248 N ARG A 19 4.902 4.974 -7.445 1.00 0.00 N ATOM 249 CA ARG A 19 5.079 3.901 -6.481 1.00 0.00 C ATOM 250 C ARG A 19 6.224 4.233 -5.522 1.00 0.00 C ATOM 251 O ARG A 19 7.100 5.033 -5.848 1.00 0.00 O ATOM 252 CB ARG A 19 5.379 2.575 -7.182 1.00 0.00 C ATOM 253 CG ARG A 19 6.682 2.658 -7.980 1.00 0.00 C ATOM 254 CD ARG A 19 6.400 2.860 -9.470 1.00 0.00 C ATOM 255 NE ARG A 19 7.141 4.040 -9.970 1.00 0.00 N ATOM 256 CZ ARG A 19 7.296 4.336 -11.268 1.00 0.00 C ATOM 257 NH1 ARG A 19 6.763 3.539 -12.205 1.00 0.00 N ATOM 258 NH2 ARG A 19 7.984 5.427 -11.629 1.00 0.00 N ATOM 0 H ARG A 19 5.764 5.440 -7.728 1.00 0.00 H new ATOM 0 HA ARG A 19 4.149 3.801 -5.922 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.452 1.777 -6.443 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.556 2.318 -7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.290 3.482 -7.606 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.260 1.745 -7.836 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.695 1.972 -10.028 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.331 2.997 -9.631 1.00 0.00 H new ATOM 0 HE ARG A 19 7.560 4.667 -9.283 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.240 2.708 -11.930 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.881 3.764 -13.193 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.390 6.033 -10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.102 5.652 -12.617 1.00 0.00 H new ATOM 272 N THR A 20 6.181 3.601 -4.358 1.00 0.00 N ATOM 273 CA THR A 20 7.204 3.819 -3.350 1.00 0.00 C ATOM 274 C THR A 20 7.650 2.486 -2.745 1.00 0.00 C ATOM 275 O THR A 20 6.837 1.581 -2.562 1.00 0.00 O ATOM 276 CB THR A 20 6.647 4.799 -2.316 1.00 0.00 C ATOM 277 OG1 THR A 20 7.770 5.117 -1.498 1.00 0.00 O ATOM 278 CG2 THR A 20 5.660 4.136 -1.352 1.00 0.00 C ATOM 0 H THR A 20 5.453 2.938 -4.091 1.00 0.00 H new ATOM 0 HA THR A 20 8.101 4.258 -3.786 1.00 0.00 H new ATOM 0 HB THR A 20 6.154 5.625 -2.829 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.498 5.750 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.295 4.876 -0.639 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.820 3.729 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.161 3.331 -0.815 1.00 0.00 H new ATOM 286 N VAL A 21 8.940 2.407 -2.453 1.00 0.00 N ATOM 287 CA VAL A 21 9.503 1.200 -1.873 1.00 0.00 C ATOM 288 C VAL A 21 9.594 1.363 -0.355 1.00 0.00 C ATOM 289 O VAL A 21 10.171 2.333 0.135 1.00 0.00 O ATOM 290 CB VAL A 21 10.852 0.887 -2.523 1.00 0.00 C ATOM 291 CG1 VAL A 21 11.167 -0.608 -2.441 1.00 0.00 C ATOM 292 CG2 VAL A 21 10.889 1.377 -3.972 1.00 0.00 C ATOM 0 H VAL A 21 9.611 3.159 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 21 8.857 0.345 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 21 11.623 1.422 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 21 12.131 -0.803 -2.910 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.203 -0.915 -1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.391 -1.172 -2.958 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.859 1.142 -4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.103 0.883 -4.543 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.732 2.455 -3.996 1.00 0.00 H new ATOM 302 N VAL A 22 9.017 0.400 0.348 1.00 0.00 N ATOM 303 CA VAL A 22 9.026 0.425 1.801 1.00 0.00 C ATOM 304 C VAL A 22 9.890 -0.726 2.321 1.00 0.00 C ATOM 305 O VAL A 22 10.116 -1.706 1.614 1.00 0.00 O ATOM 306 CB VAL A 22 7.593 0.384 2.334 1.00 0.00 C ATOM 307 CG1 VAL A 22 7.565 0.597 3.849 1.00 0.00 C ATOM 308 CG2 VAL A 22 6.712 1.412 1.620 1.00 0.00 C ATOM 0 H VAL A 22 8.540 -0.403 -0.062 1.00 0.00 H new ATOM 0 HA VAL A 22 9.467 1.353 2.164 1.00 0.00 H new ATOM 0 HB VAL A 22 7.187 -0.606 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.534 0.563 4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.142 -0.188 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.999 1.568 4.088 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.699 1.362 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.116 2.412 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.693 1.196 0.552 1.00 0.00 H new ATOM 318 N THR A 23 10.350 -0.568 3.553 1.00 0.00 N ATOM 319 CA THR A 23 11.185 -1.581 4.176 1.00 0.00 C ATOM 320 C THR A 23 10.320 -2.600 4.920 1.00 0.00 C ATOM 321 O THR A 23 9.388 -2.228 5.631 1.00 0.00 O ATOM 322 CB THR A 23 12.197 -0.871 5.077 1.00 0.00 C ATOM 323 OG1 THR A 23 12.893 0.005 4.195 1.00 0.00 O ATOM 324 CG2 THR A 23 13.283 -1.816 5.596 1.00 0.00 C ATOM 0 H THR A 23 10.160 0.247 4.137 1.00 0.00 H new ATOM 0 HA THR A 23 11.737 -2.152 3.430 1.00 0.00 H new ATOM 0 HB THR A 23 11.676 -0.418 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.568 0.507 4.698 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.975 -1.262 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.822 -2.617 6.175 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.826 -2.244 4.753 1.00 0.00 H new ATOM 332 N VAL A 24 10.659 -3.867 4.730 1.00 0.00 N ATOM 333 CA VAL A 24 9.925 -4.943 5.374 1.00 0.00 C ATOM 334 C VAL A 24 10.445 -5.126 6.802 1.00 0.00 C ATOM 335 O VAL A 24 11.566 -5.591 7.004 1.00 0.00 O ATOM 336 CB VAL A 24 10.023 -6.219 4.535 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.838 -7.147 4.808 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.128 -5.888 3.045 1.00 0.00 C ATOM 0 H VAL A 24 11.432 -4.172 4.139 1.00 0.00 H new ATOM 0 HA VAL A 24 8.866 -4.695 5.442 1.00 0.00 H new ATOM 0 HB VAL A 24 10.933 -6.743 4.827 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.932 -8.046 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 24 8.827 -7.422 5.863 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.909 -6.635 4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.196 -6.812 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.244 -5.331 2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.018 -5.284 2.868 1.00 0.00 H new ATOM 348 N ARG A 25 9.605 -4.751 7.755 1.00 0.00 N ATOM 349 CA ARG A 25 9.965 -4.867 9.158 1.00 0.00 C ATOM 350 C ARG A 25 9.055 -5.880 9.858 1.00 0.00 C ATOM 351 O ARG A 25 8.054 -6.314 9.291 1.00 0.00 O ATOM 352 CB ARG A 25 9.855 -3.517 9.869 1.00 0.00 C ATOM 353 CG ARG A 25 10.720 -2.461 9.178 1.00 0.00 C ATOM 354 CD ARG A 25 11.353 -1.515 10.200 1.00 0.00 C ATOM 355 NE ARG A 25 12.052 -2.294 11.246 1.00 0.00 N ATOM 356 CZ ARG A 25 13.311 -2.739 11.137 1.00 0.00 C ATOM 357 NH1 ARG A 25 14.017 -2.485 10.027 1.00 0.00 N ATOM 358 NH2 ARG A 25 13.864 -3.439 12.137 1.00 0.00 N ATOM 0 H ARG A 25 8.676 -4.367 7.583 1.00 0.00 H new ATOM 0 HA ARG A 25 10.999 -5.207 9.207 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.815 -3.191 9.879 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.165 -3.623 10.908 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.502 -2.950 8.597 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.112 -1.890 8.477 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.056 -0.846 9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.584 -0.889 10.654 1.00 0.00 H new ATOM 0 HE ARG A 25 11.543 -2.506 12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.596 -1.953 9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.976 -2.824 9.944 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.326 -3.633 12.982 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.823 -3.778 12.053 1.00 0.00 H new ATOM 372 N ASP A 26 9.437 -6.226 11.078 1.00 0.00 N ATOM 373 CA ASP A 26 8.668 -7.178 11.861 1.00 0.00 C ATOM 374 C ASP A 26 8.277 -6.539 13.194 1.00 0.00 C ATOM 375 O ASP A 26 8.933 -6.762 14.210 1.00 0.00 O ATOM 376 CB ASP A 26 9.489 -8.434 12.161 1.00 0.00 C ATOM 377 CG ASP A 26 10.282 -8.988 10.975 1.00 0.00 C ATOM 378 OD1 ASP A 26 9.682 -9.073 9.882 1.00 0.00 O ATOM 379 OD2 ASP A 26 11.469 -9.313 11.189 1.00 0.00 O ATOM 0 H ASP A 26 10.269 -5.864 11.544 1.00 0.00 H new ATOM 0 HA ASP A 26 7.785 -7.453 11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.184 -8.211 12.971 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.816 -9.211 12.524 1.00 0.00 H new ATOM 384 N GLY A 27 7.209 -5.755 13.148 1.00 0.00 N ATOM 385 CA GLY A 27 6.723 -5.082 14.340 1.00 0.00 C ATOM 386 C GLY A 27 5.749 -3.960 13.976 1.00 0.00 C ATOM 387 O GLY A 27 4.588 -3.985 14.383 1.00 0.00 O ATOM 0 H GLY A 27 6.667 -5.571 12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.228 -5.801 14.992 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.564 -4.672 14.899 1.00 0.00 H new ATOM 391 N MET A 28 6.257 -3.002 13.215 1.00 0.00 N ATOM 392 CA MET A 28 5.446 -1.872 12.793 1.00 0.00 C ATOM 393 C MET A 28 4.187 -2.344 12.062 1.00 0.00 C ATOM 394 O MET A 28 4.118 -3.487 11.613 1.00 0.00 O ATOM 395 CB MET A 28 6.267 -0.972 11.867 1.00 0.00 C ATOM 396 CG MET A 28 6.456 -1.623 10.495 1.00 0.00 C ATOM 397 SD MET A 28 7.820 -0.854 9.637 1.00 0.00 S ATOM 398 CE MET A 28 7.065 0.699 9.185 1.00 0.00 C ATOM 0 H MET A 28 7.220 -2.985 12.880 1.00 0.00 H new ATOM 0 HA MET A 28 5.142 -1.315 13.679 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.767 -0.010 11.751 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.240 -0.773 12.316 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.645 -2.690 10.613 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.543 -1.524 9.907 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.344 0.956 8.163 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.981 0.610 9.253 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.408 1.481 9.862 1.00 0.00 H new ATOM 408 N SER A 29 3.224 -1.440 11.965 1.00 0.00 N ATOM 409 CA SER A 29 1.972 -1.749 11.296 1.00 0.00 C ATOM 410 C SER A 29 2.000 -1.219 9.861 1.00 0.00 C ATOM 411 O SER A 29 2.974 -0.594 9.446 1.00 0.00 O ATOM 412 CB SER A 29 0.781 -1.160 12.056 1.00 0.00 C ATOM 413 OG SER A 29 0.851 0.261 12.139 1.00 0.00 O ATOM 0 H SER A 29 3.285 -0.493 12.339 1.00 0.00 H new ATOM 0 HA SER A 29 1.855 -2.832 11.274 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.145 -1.449 11.559 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.748 -1.581 13.061 1.00 0.00 H new ATOM 0 HG SER A 29 0.073 0.599 12.629 1.00 0.00 H new ATOM 419 N VAL A 30 0.920 -1.490 9.143 1.00 0.00 N ATOM 420 CA VAL A 30 0.809 -1.048 7.763 1.00 0.00 C ATOM 421 C VAL A 30 0.640 0.472 7.731 1.00 0.00 C ATOM 422 O VAL A 30 1.122 1.134 6.813 1.00 0.00 O ATOM 423 CB VAL A 30 -0.333 -1.791 7.066 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.576 -1.231 5.664 1.00 0.00 C ATOM 425 CG2 VAL A 30 -0.057 -3.295 7.015 1.00 0.00 C ATOM 0 H VAL A 30 0.114 -2.010 9.491 1.00 0.00 H new ATOM 0 HA VAL A 30 1.719 -1.286 7.211 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.240 -1.636 7.650 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.392 -1.777 5.191 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.838 -0.175 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.329 -1.342 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.884 -3.800 6.515 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.866 -3.477 6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.043 -3.681 8.029 1.00 0.00 H new ATOM 435 N TYR A 31 -0.046 0.981 8.744 1.00 0.00 N ATOM 436 CA TYR A 31 -0.284 2.411 8.843 1.00 0.00 C ATOM 437 C TYR A 31 1.034 3.180 8.960 1.00 0.00 C ATOM 438 O TYR A 31 1.323 4.052 8.142 1.00 0.00 O ATOM 439 CB TYR A 31 -1.096 2.616 10.123 1.00 0.00 C ATOM 440 CG TYR A 31 -1.134 4.065 10.611 1.00 0.00 C ATOM 441 CD1 TYR A 31 -0.120 4.551 11.412 1.00 0.00 C ATOM 442 CD2 TYR A 31 -2.182 4.887 10.251 1.00 0.00 C ATOM 443 CE1 TYR A 31 -0.156 5.915 11.871 1.00 0.00 C ATOM 444 CE2 TYR A 31 -2.218 6.252 10.710 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.203 6.698 11.497 1.00 0.00 C ATOM 446 OH TYR A 31 -1.237 7.987 11.931 1.00 0.00 O ATOM 0 H TYR A 31 -0.445 0.429 9.503 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.802 2.776 7.956 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.117 2.274 9.952 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.678 1.989 10.911 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.700 3.908 11.694 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.976 4.507 9.625 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.631 6.308 12.498 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.032 6.906 10.435 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.041 8.427 11.585 1.00 0.00 H new ATOM 456 N ASP A 32 1.797 2.829 9.985 1.00 0.00 N ATOM 457 CA ASP A 32 3.077 3.475 10.220 1.00 0.00 C ATOM 458 C ASP A 32 3.993 3.234 9.018 1.00 0.00 C ATOM 459 O ASP A 32 4.967 3.959 8.821 1.00 0.00 O ATOM 460 CB ASP A 32 3.765 2.900 11.460 1.00 0.00 C ATOM 461 CG ASP A 32 3.782 3.827 12.677 1.00 0.00 C ATOM 462 OD1 ASP A 32 3.251 4.951 12.543 1.00 0.00 O ATOM 463 OD2 ASP A 32 4.327 3.392 13.715 1.00 0.00 O ATOM 0 H ASP A 32 1.553 2.106 10.662 1.00 0.00 H new ATOM 0 HA ASP A 32 2.895 4.539 10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.266 1.971 11.736 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.793 2.645 11.202 1.00 0.00 H new ATOM 468 N SER A 33 3.649 2.214 8.246 1.00 0.00 N ATOM 469 CA SER A 33 4.428 1.869 7.069 1.00 0.00 C ATOM 470 C SER A 33 3.988 2.727 5.881 1.00 0.00 C ATOM 471 O SER A 33 4.782 3.494 5.338 1.00 0.00 O ATOM 472 CB SER A 33 4.288 0.383 6.732 1.00 0.00 C ATOM 473 OG SER A 33 5.422 -0.369 7.152 1.00 0.00 O ATOM 0 H SER A 33 2.841 1.615 8.413 1.00 0.00 H new ATOM 0 HA SER A 33 5.478 2.067 7.283 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.393 -0.014 7.210 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.154 0.266 5.657 1.00 0.00 H new ATOM 0 HG SER A 33 6.224 -0.030 6.703 1.00 0.00 H new ATOM 479 N LEU A 34 2.726 2.568 5.512 1.00 0.00 N ATOM 480 CA LEU A 34 2.172 3.319 4.398 1.00 0.00 C ATOM 481 C LEU A 34 2.024 4.787 4.802 1.00 0.00 C ATOM 482 O LEU A 34 1.694 5.632 3.971 1.00 0.00 O ATOM 483 CB LEU A 34 0.868 2.679 3.917 1.00 0.00 C ATOM 484 CG LEU A 34 1.003 1.636 2.805 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.668 2.239 1.566 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.743 0.394 3.306 1.00 0.00 C ATOM 0 H LEU A 34 2.071 1.930 5.964 1.00 0.00 H new ATOM 0 HA LEU A 34 2.849 3.290 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.380 2.209 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.205 3.471 3.567 1.00 0.00 H new ATOM 0 HG LEU A 34 0.003 1.318 2.511 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.752 1.477 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.064 3.068 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.662 2.602 1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.826 -0.332 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.740 0.676 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.191 -0.049 4.135 1.00 0.00 H new ATOM 498 N ASP A 35 2.275 5.046 6.077 1.00 0.00 N ATOM 499 CA ASP A 35 2.173 6.397 6.600 1.00 0.00 C ATOM 500 C ASP A 35 2.935 7.354 5.681 1.00 0.00 C ATOM 501 O ASP A 35 2.360 8.307 5.157 1.00 0.00 O ATOM 502 CB ASP A 35 2.788 6.494 7.998 1.00 0.00 C ATOM 503 CG ASP A 35 3.064 7.918 8.486 1.00 0.00 C ATOM 504 OD1 ASP A 35 4.098 8.474 8.058 1.00 0.00 O ATOM 505 OD2 ASP A 35 2.234 8.417 9.276 1.00 0.00 O ATOM 0 H ASP A 35 2.549 4.343 6.763 1.00 0.00 H new ATOM 0 HA ASP A 35 1.116 6.660 6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.119 6.006 8.707 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.724 5.935 8.006 1.00 0.00 H new ATOM 510 N LYS A 36 4.218 7.067 5.513 1.00 0.00 N ATOM 511 CA LYS A 36 5.064 7.890 4.666 1.00 0.00 C ATOM 512 C LYS A 36 4.503 7.895 3.243 1.00 0.00 C ATOM 513 O LYS A 36 4.210 8.955 2.691 1.00 0.00 O ATOM 514 CB LYS A 36 6.520 7.426 4.752 1.00 0.00 C ATOM 515 CG LYS A 36 7.455 8.605 5.030 1.00 0.00 C ATOM 516 CD LYS A 36 8.755 8.474 4.233 1.00 0.00 C ATOM 517 CE LYS A 36 8.827 9.526 3.125 1.00 0.00 C ATOM 518 NZ LYS A 36 10.057 9.348 2.321 1.00 0.00 N ATOM 0 H LYS A 36 4.692 6.276 5.949 1.00 0.00 H new ATOM 0 HA LYS A 36 5.061 8.923 5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.622 6.682 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.807 6.942 3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.957 9.538 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.681 8.652 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.609 8.586 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.820 7.477 3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.950 9.446 2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.812 10.525 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.090 10.070 1.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.890 9.447 2.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.055 8.402 1.889 1.00 0.00 H new ATOM 532 N ALA A 37 4.370 6.699 2.689 1.00 0.00 N ATOM 533 CA ALA A 37 3.849 6.552 1.340 1.00 0.00 C ATOM 534 C ALA A 37 2.718 7.559 1.123 1.00 0.00 C ATOM 535 O ALA A 37 2.531 8.059 0.015 1.00 0.00 O ATOM 536 CB ALA A 37 3.394 5.108 1.123 1.00 0.00 C ATOM 0 H ALA A 37 4.614 5.822 3.150 1.00 0.00 H new ATOM 0 HA ALA A 37 4.624 6.763 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.003 4.998 0.111 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.241 4.435 1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.613 4.860 1.842 1.00 0.00 H new ATOM 542 N LEU A 38 1.993 7.827 2.199 1.00 0.00 N ATOM 543 CA LEU A 38 0.885 8.765 2.139 1.00 0.00 C ATOM 544 C LEU A 38 1.395 10.172 2.459 1.00 0.00 C ATOM 545 O LEU A 38 1.319 11.069 1.621 1.00 0.00 O ATOM 546 CB LEU A 38 -0.257 8.304 3.048 1.00 0.00 C ATOM 547 CG LEU A 38 -0.893 6.959 2.696 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.076 6.653 3.617 1.00 0.00 C ATOM 549 CD2 LEU A 38 -1.290 6.910 1.219 1.00 0.00 C ATOM 0 H LEU A 38 2.151 7.411 3.117 1.00 0.00 H new ATOM 0 HA LEU A 38 0.468 8.798 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.118 8.250 4.070 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.036 9.066 3.034 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.150 6.178 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.510 5.691 3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.732 6.617 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.830 7.433 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.740 5.943 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.009 7.702 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.404 7.050 0.599 1.00 0.00 H new ATOM 561 N LYS A 39 1.906 10.320 3.672 1.00 0.00 N ATOM 562 CA LYS A 39 2.429 11.602 4.112 1.00 0.00 C ATOM 563 C LYS A 39 3.182 12.264 2.957 1.00 0.00 C ATOM 564 O LYS A 39 2.939 13.427 2.638 1.00 0.00 O ATOM 565 CB LYS A 39 3.271 11.431 5.378 1.00 0.00 C ATOM 566 CG LYS A 39 2.384 11.160 6.595 1.00 0.00 C ATOM 567 CD LYS A 39 2.743 12.092 7.754 1.00 0.00 C ATOM 568 CE LYS A 39 1.991 11.699 9.027 1.00 0.00 C ATOM 569 NZ LYS A 39 2.831 10.825 9.877 1.00 0.00 N ATOM 0 H LYS A 39 1.969 9.573 4.364 1.00 0.00 H new ATOM 0 HA LYS A 39 1.614 12.272 4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.972 10.607 5.244 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.864 12.330 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.337 11.297 6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.499 10.123 6.909 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.817 12.055 7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.500 13.120 7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.710 12.594 9.582 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.067 11.183 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.388 9.887 9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.774 10.727 9.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.922 11.245 10.824 1.00 0.00 H new ATOM 583 N VAL A 40 4.083 11.496 2.362 1.00 0.00 N ATOM 584 CA VAL A 40 4.873 11.993 1.249 1.00 0.00 C ATOM 585 C VAL A 40 3.988 12.853 0.345 1.00 0.00 C ATOM 586 O VAL A 40 4.389 13.939 -0.071 1.00 0.00 O ATOM 587 CB VAL A 40 5.529 10.825 0.510 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.478 9.823 0.027 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.386 11.325 -0.655 1.00 0.00 C ATOM 0 H VAL A 40 4.283 10.533 2.630 1.00 0.00 H new ATOM 0 HA VAL A 40 5.683 12.628 1.608 1.00 0.00 H new ATOM 0 HB VAL A 40 6.185 10.310 1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.970 9.003 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.929 9.431 0.883 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.785 10.321 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.841 10.475 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.760 11.875 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.169 11.982 -0.275 1.00 0.00 H new ATOM 599 N ARG A 41 2.801 12.334 0.066 1.00 0.00 N ATOM 600 CA ARG A 41 1.856 13.041 -0.781 1.00 0.00 C ATOM 601 C ARG A 41 0.941 13.926 0.067 1.00 0.00 C ATOM 602 O ARG A 41 0.495 14.979 -0.387 1.00 0.00 O ATOM 603 CB ARG A 41 1.001 12.062 -1.589 1.00 0.00 C ATOM 604 CG ARG A 41 1.876 11.172 -2.474 1.00 0.00 C ATOM 605 CD ARG A 41 1.153 10.812 -3.774 1.00 0.00 C ATOM 606 NE ARG A 41 0.669 12.041 -4.441 1.00 0.00 N ATOM 607 CZ ARG A 41 -0.065 12.048 -5.562 1.00 0.00 C ATOM 608 NH1 ARG A 41 -0.406 10.892 -6.147 1.00 0.00 N ATOM 609 NH2 ARG A 41 -0.460 13.212 -6.097 1.00 0.00 N ATOM 0 H ARG A 41 2.472 11.432 0.412 1.00 0.00 H new ATOM 0 HA ARG A 41 2.429 13.661 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.413 11.442 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.295 12.615 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.809 11.686 -2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.138 10.261 -1.935 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.828 10.270 -4.437 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.314 10.149 -3.562 1.00 0.00 H new ATOM 0 HE ARG A 41 0.909 12.939 -4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.107 10.006 -5.739 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.965 10.898 -7.000 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.202 14.092 -5.651 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.019 13.218 -6.950 1.00 0.00 H new ATOM 623 N GLY A 42 0.689 13.468 1.284 1.00 0.00 N ATOM 624 CA GLY A 42 -0.165 14.205 2.200 1.00 0.00 C ATOM 625 C GLY A 42 -1.499 13.484 2.407 1.00 0.00 C ATOM 626 O GLY A 42 -2.425 14.042 2.992 1.00 0.00 O ATOM 0 H GLY A 42 1.061 12.595 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.341 14.324 3.158 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.346 15.206 1.809 1.00 0.00 H new ATOM 630 N LEU A 43 -1.553 12.255 1.915 1.00 0.00 N ATOM 631 CA LEU A 43 -2.758 11.452 2.038 1.00 0.00 C ATOM 632 C LEU A 43 -3.019 11.156 3.516 1.00 0.00 C ATOM 633 O LEU A 43 -2.163 11.406 4.364 1.00 0.00 O ATOM 634 CB LEU A 43 -2.658 10.198 1.168 1.00 0.00 C ATOM 635 CG LEU A 43 -2.911 10.397 -0.328 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.286 9.266 -1.146 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.406 10.553 -0.614 1.00 0.00 C ATOM 0 H LEU A 43 -0.782 11.796 1.430 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.622 12.002 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.663 9.771 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.370 9.463 1.542 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.425 11.323 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.481 9.433 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.210 9.244 -0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.721 8.314 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.559 10.693 -1.684 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.935 9.658 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.791 11.419 -0.076 1.00 0.00 H new ATOM 649 N ASN A 44 -4.204 10.627 3.781 1.00 0.00 N ATOM 650 CA ASN A 44 -4.589 10.294 5.142 1.00 0.00 C ATOM 651 C ASN A 44 -4.813 8.785 5.249 1.00 0.00 C ATOM 652 O ASN A 44 -4.787 8.077 4.243 1.00 0.00 O ATOM 653 CB ASN A 44 -5.891 10.995 5.534 1.00 0.00 C ATOM 654 CG ASN A 44 -6.029 11.085 7.055 1.00 0.00 C ATOM 655 OD1 ASN A 44 -5.532 11.996 7.696 1.00 0.00 O ATOM 656 ND2 ASN A 44 -6.730 10.092 7.594 1.00 0.00 N ATOM 0 H ASN A 44 -4.911 10.420 3.076 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.790 10.620 5.808 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.913 11.996 5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.740 10.451 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.879 10.062 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.119 9.361 6.999 1.00 0.00 H new ATOM 663 N GLN A 45 -5.029 8.336 6.477 1.00 0.00 N ATOM 664 CA GLN A 45 -5.257 6.923 6.728 1.00 0.00 C ATOM 665 C GLN A 45 -6.727 6.678 7.078 1.00 0.00 C ATOM 666 O GLN A 45 -7.032 5.903 7.983 1.00 0.00 O ATOM 667 CB GLN A 45 -4.337 6.408 7.836 1.00 0.00 C ATOM 668 CG GLN A 45 -2.880 6.377 7.369 1.00 0.00 C ATOM 669 CD GLN A 45 -2.092 7.550 7.955 1.00 0.00 C ATOM 670 OE1 GLN A 45 -2.575 8.666 8.060 1.00 0.00 O ATOM 671 NE2 GLN A 45 -0.855 7.237 8.329 1.00 0.00 N ATOM 0 H GLN A 45 -5.051 8.926 7.309 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.022 6.369 5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.427 7.047 8.715 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.648 5.407 8.136 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.418 5.437 7.670 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.842 6.416 6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.513 6.283 8.213 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.248 7.951 8.732 1.00 0.00 H new ATOM 680 N ASP A 46 -7.598 7.351 6.341 1.00 0.00 N ATOM 681 CA ASP A 46 -9.027 7.216 6.561 1.00 0.00 C ATOM 682 C ASP A 46 -9.749 7.208 5.212 1.00 0.00 C ATOM 683 O ASP A 46 -10.552 6.318 4.939 1.00 0.00 O ATOM 684 CB ASP A 46 -9.572 8.387 7.382 1.00 0.00 C ATOM 685 CG ASP A 46 -10.995 8.200 7.911 1.00 0.00 C ATOM 686 OD1 ASP A 46 -11.548 7.103 7.677 1.00 0.00 O ATOM 687 OD2 ASP A 46 -11.498 9.158 8.537 1.00 0.00 O ATOM 0 H ASP A 46 -7.341 7.992 5.590 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.197 6.286 7.103 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.906 8.559 8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.545 9.286 6.767 1.00 0.00 H new ATOM 692 N CYS A 47 -9.436 8.211 4.404 1.00 0.00 N ATOM 693 CA CYS A 47 -10.044 8.331 3.090 1.00 0.00 C ATOM 694 C CYS A 47 -9.112 7.677 2.068 1.00 0.00 C ATOM 695 O CYS A 47 -9.101 8.060 0.899 1.00 0.00 O ATOM 696 CB CYS A 47 -10.346 9.789 2.737 1.00 0.00 C ATOM 697 SG CYS A 47 -11.774 10.386 3.712 1.00 0.00 S ATOM 0 H CYS A 47 -8.769 8.948 4.634 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.006 7.818 3.083 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.473 10.409 2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -10.560 9.877 1.672 1.00 0.00 H new ATOM 0 HG CYS A 47 -12.020 11.625 3.406 1.00 0.00 H new ATOM 703 N CYS A 48 -8.352 6.702 2.545 1.00 0.00 N ATOM 704 CA CYS A 48 -7.419 5.992 1.688 1.00 0.00 C ATOM 705 C CYS A 48 -7.438 4.513 2.078 1.00 0.00 C ATOM 706 O CYS A 48 -7.554 4.180 3.257 1.00 0.00 O ATOM 707 CB CYS A 48 -6.011 6.586 1.769 1.00 0.00 C ATOM 708 SG CYS A 48 -5.957 8.190 0.890 1.00 0.00 S ATOM 0 H CYS A 48 -8.364 6.387 3.515 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.726 6.096 0.647 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.725 6.724 2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.291 5.896 1.329 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.163 8.663 0.775 1.00 0.00 H new ATOM 714 N VAL A 49 -7.321 3.665 1.067 1.00 0.00 N ATOM 715 CA VAL A 49 -7.323 2.230 1.290 1.00 0.00 C ATOM 716 C VAL A 49 -6.071 1.618 0.659 1.00 0.00 C ATOM 717 O VAL A 49 -5.455 2.222 -0.219 1.00 0.00 O ATOM 718 CB VAL A 49 -8.620 1.619 0.755 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.817 1.958 -0.724 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.647 0.106 0.980 1.00 0.00 C ATOM 0 H VAL A 49 -7.224 3.945 0.091 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.291 2.010 2.357 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.450 2.055 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.746 1.512 -1.079 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.864 3.040 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.981 1.564 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.579 -0.303 0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.805 -0.354 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.576 -0.104 2.047 1.00 0.00 H new ATOM 730 N VAL A 50 -5.730 0.428 1.131 1.00 0.00 N ATOM 731 CA VAL A 50 -4.562 -0.272 0.624 1.00 0.00 C ATOM 732 C VAL A 50 -4.969 -1.677 0.176 1.00 0.00 C ATOM 733 O VAL A 50 -5.463 -2.469 0.977 1.00 0.00 O ATOM 734 CB VAL A 50 -3.456 -0.279 1.682 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.197 -0.969 1.154 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.144 1.142 2.157 1.00 0.00 C ATOM 0 H VAL A 50 -6.242 -0.069 1.859 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.157 0.242 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.815 -0.848 2.539 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.427 -0.960 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.432 -1.999 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.834 -0.440 0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.355 1.109 2.908 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.814 1.744 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.040 1.586 2.591 1.00 0.00 H new ATOM 746 N TYR A 51 -4.746 -1.944 -1.103 1.00 0.00 N ATOM 747 CA TYR A 51 -5.084 -3.239 -1.667 1.00 0.00 C ATOM 748 C TYR A 51 -3.842 -4.124 -1.791 1.00 0.00 C ATOM 749 O TYR A 51 -2.764 -3.642 -2.137 1.00 0.00 O ATOM 750 CB TYR A 51 -5.638 -2.959 -3.065 1.00 0.00 C ATOM 751 CG TYR A 51 -6.662 -1.824 -3.113 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.544 -1.646 -2.066 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.705 -0.978 -4.203 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.508 -0.577 -2.111 1.00 0.00 C ATOM 755 CE2 TYR A 51 -7.669 0.090 -4.248 1.00 0.00 C ATOM 756 CZ TYR A 51 -8.524 0.238 -3.200 1.00 0.00 C ATOM 757 OH TYR A 51 -9.434 1.247 -3.242 1.00 0.00 O ATOM 0 H TYR A 51 -4.335 -1.285 -1.764 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.800 -3.760 -1.031 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.810 -2.716 -3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.100 -3.868 -3.450 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.511 -2.308 -1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.015 -1.117 -5.022 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -9.203 -0.426 -1.298 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.713 0.759 -5.095 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.406 1.676 -4.122 1.00 0.00 H new ATOM 767 N ARG A 52 -4.033 -5.402 -1.501 1.00 0.00 N ATOM 768 CA ARG A 52 -2.942 -6.358 -1.575 1.00 0.00 C ATOM 769 C ARG A 52 -3.025 -7.158 -2.877 1.00 0.00 C ATOM 770 O ARG A 52 -4.090 -7.656 -3.237 1.00 0.00 O ATOM 771 CB ARG A 52 -2.973 -7.324 -0.389 1.00 0.00 C ATOM 772 CG ARG A 52 -3.171 -6.569 0.927 1.00 0.00 C ATOM 773 CD ARG A 52 -2.330 -7.189 2.046 1.00 0.00 C ATOM 774 NE ARG A 52 -2.445 -8.663 2.007 1.00 0.00 N ATOM 775 CZ ARG A 52 -1.878 -9.484 2.902 1.00 0.00 C ATOM 776 NH1 ARG A 52 -1.153 -8.980 3.910 1.00 0.00 N ATOM 777 NH2 ARG A 52 -2.035 -10.810 2.788 1.00 0.00 N ATOM 0 H ARG A 52 -4.928 -5.798 -1.214 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.008 -5.797 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.779 -8.045 -0.524 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.042 -7.890 -0.352 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.894 -5.523 0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.225 -6.587 1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.287 -6.894 1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.665 -6.815 3.014 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.989 -9.081 1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.032 -7.971 3.997 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.722 -9.605 4.591 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.586 -11.194 2.020 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.604 -11.435 3.469 1.00 0.00 H new ATOM 791 N LEU A 53 -1.886 -7.256 -3.548 1.00 0.00 N ATOM 792 CA LEU A 53 -1.816 -7.987 -4.802 1.00 0.00 C ATOM 793 C LEU A 53 -1.723 -9.486 -4.509 1.00 0.00 C ATOM 794 O LEU A 53 -0.674 -9.977 -4.098 1.00 0.00 O ATOM 795 CB LEU A 53 -0.672 -7.457 -5.668 1.00 0.00 C ATOM 796 CG LEU A 53 -1.058 -6.434 -6.737 1.00 0.00 C ATOM 797 CD1 LEU A 53 -1.576 -7.128 -7.999 1.00 0.00 C ATOM 798 CD2 LEU A 53 -2.063 -5.419 -6.188 1.00 0.00 C ATOM 0 H LEU A 53 -1.004 -6.841 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.724 -7.832 -5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.073 -7.005 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.193 -8.304 -6.160 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.162 -5.880 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.843 -6.378 -8.743 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.799 -7.778 -8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.455 -7.723 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.320 -4.703 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.963 -5.939 -5.861 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.622 -4.891 -5.343 1.00 0.00 H new ATOM 810 N ILE A 54 -2.836 -10.170 -4.733 1.00 0.00 N ATOM 811 CA ILE A 54 -2.893 -11.603 -4.498 1.00 0.00 C ATOM 812 C ILE A 54 -3.406 -12.301 -5.759 1.00 0.00 C ATOM 813 O ILE A 54 -4.614 -12.402 -5.969 1.00 0.00 O ATOM 814 CB ILE A 54 -3.718 -11.908 -3.247 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.968 -11.491 -1.980 1.00 0.00 C ATOM 816 CG2 ILE A 54 -4.132 -13.381 -3.209 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.625 -10.272 -1.330 1.00 0.00 C ATOM 0 H ILE A 54 -3.705 -9.759 -5.074 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.897 -11.997 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.633 -11.317 -3.289 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.952 -12.320 -1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.931 -11.262 -2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.717 -13.571 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.732 -13.613 -4.089 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.241 -14.009 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.072 -9.997 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.617 -9.437 -2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.654 -10.512 -1.063 1.00 0.00 H new ATOM 829 N LYS A 55 -2.463 -12.765 -6.566 1.00 0.00 N ATOM 830 CA LYS A 55 -2.805 -13.451 -7.800 1.00 0.00 C ATOM 831 C LYS A 55 -3.546 -12.486 -8.727 1.00 0.00 C ATOM 832 O LYS A 55 -4.479 -12.882 -9.424 1.00 0.00 O ATOM 833 CB LYS A 55 -3.581 -14.735 -7.502 1.00 0.00 C ATOM 834 CG LYS A 55 -2.683 -15.965 -7.646 1.00 0.00 C ATOM 835 CD LYS A 55 -2.137 -16.408 -6.287 1.00 0.00 C ATOM 836 CE LYS A 55 -0.987 -15.506 -5.838 1.00 0.00 C ATOM 837 NZ LYS A 55 0.006 -16.280 -5.059 1.00 0.00 N ATOM 0 H LYS A 55 -1.462 -12.679 -6.389 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.902 -13.766 -8.323 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.986 -14.693 -6.491 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.429 -14.818 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.247 -16.780 -8.099 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.855 -15.739 -8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.935 -16.383 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.792 -17.440 -6.349 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.507 -15.059 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.375 -14.687 -5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.780 -15.652 -4.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.452 -16.686 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.389 -17.046 -5.649 1.00 0.00 H new ATOM 851 N GLY A 56 -3.103 -11.237 -8.704 1.00 0.00 N ATOM 852 CA GLY A 56 -3.713 -10.212 -9.534 1.00 0.00 C ATOM 853 C GLY A 56 -5.134 -9.897 -9.062 1.00 0.00 C ATOM 854 O GLY A 56 -6.058 -9.822 -9.870 1.00 0.00 O ATOM 0 H GLY A 56 -2.329 -10.912 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.107 -9.306 -9.504 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.736 -10.546 -10.571 1.00 0.00 H new ATOM 858 N ARG A 57 -5.263 -9.722 -7.755 1.00 0.00 N ATOM 859 CA ARG A 57 -6.556 -9.418 -7.165 1.00 0.00 C ATOM 860 C ARG A 57 -6.387 -8.468 -5.978 1.00 0.00 C ATOM 861 O ARG A 57 -5.857 -8.856 -4.938 1.00 0.00 O ATOM 862 CB ARG A 57 -7.260 -10.692 -6.694 1.00 0.00 C ATOM 863 CG ARG A 57 -7.960 -11.394 -7.859 1.00 0.00 C ATOM 864 CD ARG A 57 -7.902 -12.914 -7.697 1.00 0.00 C ATOM 865 NE ARG A 57 -9.037 -13.543 -8.409 1.00 0.00 N ATOM 866 CZ ARG A 57 -9.087 -14.838 -8.748 1.00 0.00 C ATOM 867 NH1 ARG A 57 -8.066 -15.650 -8.442 1.00 0.00 N ATOM 868 NH2 ARG A 57 -10.157 -15.321 -9.393 1.00 0.00 N ATOM 0 H ARG A 57 -4.494 -9.785 -7.088 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.167 -8.942 -7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.534 -11.367 -6.241 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.989 -10.445 -5.923 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.999 -11.070 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.488 -11.106 -8.798 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.959 -13.294 -8.091 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.935 -13.177 -6.640 1.00 0.00 H new ATOM 0 HE ARG A 57 -9.831 -12.953 -8.657 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.251 -15.282 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.104 -16.636 -8.700 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.934 -14.703 -9.626 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.195 -16.307 -9.651 1.00 0.00 H new ATOM 882 N LYS A 58 -6.847 -7.240 -6.172 1.00 0.00 N ATOM 883 CA LYS A 58 -6.754 -6.232 -5.131 1.00 0.00 C ATOM 884 C LYS A 58 -7.476 -6.731 -3.877 1.00 0.00 C ATOM 885 O LYS A 58 -8.700 -6.846 -3.866 1.00 0.00 O ATOM 886 CB LYS A 58 -7.269 -4.885 -5.642 1.00 0.00 C ATOM 887 CG LYS A 58 -6.222 -4.194 -6.518 1.00 0.00 C ATOM 888 CD LYS A 58 -6.305 -4.688 -7.964 1.00 0.00 C ATOM 889 CE LYS A 58 -5.355 -3.900 -8.868 1.00 0.00 C ATOM 890 NZ LYS A 58 -5.314 -4.497 -10.222 1.00 0.00 N ATOM 0 H LYS A 58 -7.285 -6.921 -7.036 1.00 0.00 H new ATOM 0 HA LYS A 58 -5.713 -6.065 -4.855 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.185 -5.035 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.522 -4.244 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.373 -3.115 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.225 -4.387 -6.121 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.056 -5.748 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.327 -4.587 -8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.681 -2.862 -8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.354 -3.894 -8.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.665 -3.950 -10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.981 -5.480 -10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.267 -4.480 -10.638 1.00 0.00 H new ATOM 904 N THR A 59 -6.686 -7.014 -2.852 1.00 0.00 N ATOM 905 CA THR A 59 -7.234 -7.498 -1.596 1.00 0.00 C ATOM 906 C THR A 59 -7.132 -6.418 -0.518 1.00 0.00 C ATOM 907 O THR A 59 -6.072 -6.226 0.075 1.00 0.00 O ATOM 908 CB THR A 59 -6.506 -8.793 -1.230 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.231 -9.806 -1.922 1.00 0.00 O ATOM 910 CG2 THR A 59 -6.670 -9.159 0.246 1.00 0.00 C ATOM 0 H THR A 59 -5.671 -6.917 -2.865 1.00 0.00 H new ATOM 0 HA THR A 59 -8.297 -7.721 -1.688 1.00 0.00 H new ATOM 0 HB THR A 59 -5.446 -8.692 -1.463 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.825 -10.680 -1.742 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.134 -10.086 0.453 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.265 -8.359 0.866 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.728 -9.293 0.472 1.00 0.00 H new ATOM 918 N VAL A 60 -8.249 -5.740 -0.297 1.00 0.00 N ATOM 919 CA VAL A 60 -8.298 -4.684 0.700 1.00 0.00 C ATOM 920 C VAL A 60 -7.505 -5.116 1.935 1.00 0.00 C ATOM 921 O VAL A 60 -7.510 -6.290 2.300 1.00 0.00 O ATOM 922 CB VAL A 60 -9.753 -4.331 1.017 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.839 -3.395 2.224 1.00 0.00 C ATOM 924 CG2 VAL A 60 -10.448 -3.720 -0.201 1.00 0.00 C ATOM 0 H VAL A 60 -9.127 -5.901 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.833 -3.776 0.317 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.274 -5.254 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.884 -3.160 2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.400 -3.883 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.295 -2.475 2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.480 -3.479 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.926 -2.811 -0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.434 -4.434 -1.024 1.00 0.00 H new ATOM 934 N THR A 61 -6.842 -4.143 2.543 1.00 0.00 N ATOM 935 CA THR A 61 -6.045 -4.408 3.729 1.00 0.00 C ATOM 936 C THR A 61 -6.443 -3.460 4.861 1.00 0.00 C ATOM 937 O THR A 61 -7.089 -2.440 4.624 1.00 0.00 O ATOM 938 CB THR A 61 -4.569 -4.306 3.340 1.00 0.00 C ATOM 939 OG1 THR A 61 -3.917 -5.234 4.203 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.958 -2.954 3.715 1.00 0.00 C ATOM 0 H THR A 61 -6.840 -3.170 2.237 1.00 0.00 H new ATOM 0 HA THR A 61 -6.226 -5.413 4.111 1.00 0.00 H new ATOM 0 HB THR A 61 -4.464 -4.467 2.267 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.963 -5.018 4.254 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.910 -2.933 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.496 -2.157 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.032 -2.807 4.793 1.00 0.00 H new ATOM 948 N ALA A 62 -6.039 -3.829 6.068 1.00 0.00 N ATOM 949 CA ALA A 62 -6.345 -3.023 7.238 1.00 0.00 C ATOM 950 C ALA A 62 -5.115 -2.198 7.620 1.00 0.00 C ATOM 951 O ALA A 62 -3.992 -2.549 7.261 1.00 0.00 O ATOM 952 CB ALA A 62 -6.813 -3.932 8.376 1.00 0.00 C ATOM 0 H ALA A 62 -5.503 -4.675 6.261 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.155 -2.326 7.022 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.042 -3.328 9.254 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.706 -4.474 8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.024 -4.643 8.621 1.00 0.00 H new ATOM 958 N TRP A 63 -5.368 -1.116 8.342 1.00 0.00 N ATOM 959 CA TRP A 63 -4.295 -0.238 8.776 1.00 0.00 C ATOM 960 C TRP A 63 -3.664 -0.847 10.030 1.00 0.00 C ATOM 961 O TRP A 63 -2.453 -0.752 10.229 1.00 0.00 O ATOM 962 CB TRP A 63 -4.807 1.186 8.996 1.00 0.00 C ATOM 963 CG TRP A 63 -5.276 1.884 7.718 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.517 2.272 7.397 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.453 2.262 6.594 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.555 2.871 6.154 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.260 2.864 5.650 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.072 2.101 6.382 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.779 3.354 4.430 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.607 2.595 5.157 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.407 3.204 4.197 1.00 0.00 C ATOM 0 H TRP A 63 -6.301 -0.828 8.637 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.529 -0.156 8.005 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.633 1.158 9.706 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.014 1.780 9.452 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.380 2.134 8.031 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.381 3.249 5.691 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.422 1.633 7.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.431 3.822 3.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.553 2.496 4.943 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -2.972 3.560 3.275 1.00 0.00 H new ATOM 982 N ASP A 64 -4.512 -1.458 10.844 1.00 0.00 N ATOM 983 CA ASP A 64 -4.053 -2.082 12.073 1.00 0.00 C ATOM 984 C ASP A 64 -3.120 -3.246 11.731 1.00 0.00 C ATOM 985 O ASP A 64 -2.166 -3.515 12.459 1.00 0.00 O ATOM 986 CB ASP A 64 -5.227 -2.638 12.881 1.00 0.00 C ATOM 987 CG ASP A 64 -5.639 -1.794 14.089 1.00 0.00 C ATOM 988 OD1 ASP A 64 -4.729 -1.436 14.867 1.00 0.00 O ATOM 989 OD2 ASP A 64 -6.854 -1.527 14.206 1.00 0.00 O ATOM 0 H ASP A 64 -5.515 -1.534 10.676 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.537 -1.325 12.663 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.087 -2.742 12.219 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.968 -3.639 13.227 1.00 0.00 H new ATOM 994 N THR A 65 -3.429 -3.905 10.624 1.00 0.00 N ATOM 995 CA THR A 65 -2.631 -5.033 10.177 1.00 0.00 C ATOM 996 C THR A 65 -1.140 -4.714 10.302 1.00 0.00 C ATOM 997 O THR A 65 -0.754 -3.548 10.366 1.00 0.00 O ATOM 998 CB THR A 65 -3.061 -5.381 8.751 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.484 -5.326 8.794 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.755 -6.835 8.385 1.00 0.00 C ATOM 0 H THR A 65 -4.222 -3.679 10.023 1.00 0.00 H new ATOM 0 HA THR A 65 -2.797 -5.909 10.804 1.00 0.00 H new ATOM 0 HB THR A 65 -2.558 -4.717 8.048 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.854 -5.830 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.080 -7.029 7.363 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.682 -7.012 8.464 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.284 -7.501 9.067 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.342 -5.772 10.333 1.00 0.00 N ATOM 1009 CA ALA A 66 1.098 -5.619 10.449 1.00 0.00 C ATOM 1010 C ALA A 66 1.713 -5.543 9.050 1.00 0.00 C ATOM 1011 O ALA A 66 1.024 -5.755 8.053 1.00 0.00 O ATOM 1012 CB ALA A 66 1.670 -6.773 11.275 1.00 0.00 C ATOM 0 H ALA A 66 -0.666 -6.738 10.280 1.00 0.00 H new ATOM 0 HA ALA A 66 1.344 -4.693 10.969 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.750 -6.658 11.362 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.223 -6.765 12.269 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.444 -7.719 10.783 1.00 0.00 H new ATOM 1018 N ILE A 67 3.003 -5.240 9.020 1.00 0.00 N ATOM 1019 CA ILE A 67 3.718 -5.134 7.760 1.00 0.00 C ATOM 1020 C ILE A 67 4.702 -6.299 7.638 1.00 0.00 C ATOM 1021 O ILE A 67 5.493 -6.351 6.697 1.00 0.00 O ATOM 1022 CB ILE A 67 4.374 -3.758 7.631 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.849 -3.509 6.198 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.507 -3.593 8.647 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.830 -2.674 5.420 1.00 0.00 C ATOM 0 H ILE A 67 3.571 -5.065 9.849 1.00 0.00 H new ATOM 0 HA ILE A 67 3.026 -5.211 6.921 1.00 0.00 H new ATOM 0 HB ILE A 67 3.624 -3.000 7.858 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.810 -2.995 6.214 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.006 -4.462 5.692 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.956 -2.606 8.534 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.109 -3.697 9.656 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.264 -4.358 8.475 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.192 -2.512 4.405 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.877 -3.202 5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.694 -1.712 5.915 1.00 0.00 H new ATOM 1037 N ALA A 68 4.621 -7.204 8.602 1.00 0.00 N ATOM 1038 CA ALA A 68 5.495 -8.365 8.613 1.00 0.00 C ATOM 1039 C ALA A 68 4.980 -9.396 7.608 1.00 0.00 C ATOM 1040 O ALA A 68 5.762 -10.000 6.875 1.00 0.00 O ATOM 1041 CB ALA A 68 5.579 -8.927 10.034 1.00 0.00 C ATOM 0 H ALA A 68 3.964 -7.157 9.381 1.00 0.00 H new ATOM 0 HA ALA A 68 6.505 -8.088 8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.234 -9.798 10.043 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.979 -8.165 10.703 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.584 -9.219 10.369 1.00 0.00 H new ATOM 1047 N PRO A 69 3.631 -9.572 7.605 1.00 0.00 N ATOM 1048 CA PRO A 69 3.002 -10.520 6.702 1.00 0.00 C ATOM 1049 C PRO A 69 2.969 -9.976 5.272 1.00 0.00 C ATOM 1050 O PRO A 69 1.913 -9.941 4.641 1.00 0.00 O ATOM 1051 CB PRO A 69 1.616 -10.754 7.280 1.00 0.00 C ATOM 1052 CG PRO A 69 1.352 -9.585 8.215 1.00 0.00 C ATOM 1053 CD PRO A 69 2.673 -8.875 8.458 1.00 0.00 C ATOM 0 HA PRO A 69 3.552 -11.458 6.628 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.866 -10.800 6.490 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.572 -11.701 7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.626 -8.901 7.775 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.929 -9.937 9.156 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.608 -7.818 8.199 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.964 -8.929 9.507 1.00 0.00 H new ATOM 1061 N LEU A 70 4.138 -9.565 4.802 1.00 0.00 N ATOM 1062 CA LEU A 70 4.256 -9.025 3.458 1.00 0.00 C ATOM 1063 C LEU A 70 5.500 -9.610 2.786 1.00 0.00 C ATOM 1064 O LEU A 70 5.400 -10.260 1.747 1.00 0.00 O ATOM 1065 CB LEU A 70 4.237 -7.495 3.493 1.00 0.00 C ATOM 1066 CG LEU A 70 2.870 -6.846 3.717 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.885 -7.250 2.618 1.00 0.00 C ATOM 1068 CD2 LEU A 70 2.333 -7.166 5.113 1.00 0.00 C ATOM 0 H LEU A 70 5.011 -9.595 5.328 1.00 0.00 H new ATOM 0 HA LEU A 70 3.399 -9.318 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.909 -7.161 4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.643 -7.125 2.552 1.00 0.00 H new ATOM 0 HG LEU A 70 2.992 -5.764 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.921 -6.775 2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.269 -6.930 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.762 -8.333 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.360 -6.693 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.230 -8.245 5.224 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.026 -6.788 5.865 1.00 0.00 H new ATOM 1080 N ASP A 71 6.643 -9.357 3.406 1.00 0.00 N ATOM 1081 CA ASP A 71 7.904 -9.850 2.881 1.00 0.00 C ATOM 1082 C ASP A 71 8.101 -9.322 1.458 1.00 0.00 C ATOM 1083 O ASP A 71 8.678 -8.254 1.263 1.00 0.00 O ATOM 1084 CB ASP A 71 7.917 -11.379 2.824 1.00 0.00 C ATOM 1085 CG ASP A 71 9.013 -11.984 1.943 1.00 0.00 C ATOM 1086 OD1 ASP A 71 10.192 -11.861 2.339 1.00 0.00 O ATOM 1087 OD2 ASP A 71 8.646 -12.556 0.894 1.00 0.00 O ATOM 0 H ASP A 71 6.722 -8.817 4.268 1.00 0.00 H new ATOM 0 HA ASP A 71 8.701 -9.507 3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.032 -11.764 3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.949 -11.722 2.460 1.00 0.00 H new ATOM 1092 N GLY A 72 7.609 -10.096 0.501 1.00 0.00 N ATOM 1093 CA GLY A 72 7.723 -9.719 -0.898 1.00 0.00 C ATOM 1094 C GLY A 72 6.349 -9.684 -1.570 1.00 0.00 C ATOM 1095 O GLY A 72 5.716 -10.722 -1.752 1.00 0.00 O ATOM 0 H GLY A 72 7.131 -10.982 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.196 -8.740 -0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.368 -10.427 -1.418 1.00 0.00 H new ATOM 1099 N GLU A 73 5.928 -8.477 -1.920 1.00 0.00 N ATOM 1100 CA GLU A 73 4.640 -8.292 -2.567 1.00 0.00 C ATOM 1101 C GLU A 73 4.465 -6.833 -2.994 1.00 0.00 C ATOM 1102 O GLU A 73 5.428 -6.068 -3.011 1.00 0.00 O ATOM 1103 CB GLU A 73 3.498 -8.737 -1.653 1.00 0.00 C ATOM 1104 CG GLU A 73 3.417 -7.853 -0.406 1.00 0.00 C ATOM 1105 CD GLU A 73 2.609 -6.585 -0.685 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.389 -6.728 -0.915 1.00 0.00 O ATOM 1107 OE2 GLU A 73 3.229 -5.500 -0.662 1.00 0.00 O ATOM 0 H GLU A 73 6.456 -7.618 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 73 4.611 -8.917 -3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.554 -8.693 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.647 -9.776 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.956 -8.410 0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.422 -7.584 -0.081 1.00 0.00 H new ATOM 1114 N GLU A 74 3.229 -6.492 -3.328 1.00 0.00 N ATOM 1115 CA GLU A 74 2.916 -5.139 -3.753 1.00 0.00 C ATOM 1116 C GLU A 74 1.513 -4.747 -3.284 1.00 0.00 C ATOM 1117 O GLU A 74 0.594 -5.564 -3.312 1.00 0.00 O ATOM 1118 CB GLU A 74 3.046 -4.997 -5.270 1.00 0.00 C ATOM 1119 CG GLU A 74 4.441 -4.501 -5.657 1.00 0.00 C ATOM 1120 CD GLU A 74 4.906 -5.138 -6.968 1.00 0.00 C ATOM 1121 OE1 GLU A 74 4.510 -6.299 -7.206 1.00 0.00 O ATOM 1122 OE2 GLU A 74 5.647 -4.449 -7.702 1.00 0.00 O ATOM 0 H GLU A 74 2.433 -7.129 -3.313 1.00 0.00 H new ATOM 0 HA GLU A 74 3.635 -4.460 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.853 -5.958 -5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.293 -4.301 -5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.429 -3.416 -5.760 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.148 -4.738 -4.862 1.00 0.00 H new ATOM 1129 N LEU A 75 1.392 -3.496 -2.864 1.00 0.00 N ATOM 1130 CA LEU A 75 0.117 -2.986 -2.390 1.00 0.00 C ATOM 1131 C LEU A 75 -0.261 -1.741 -3.195 1.00 0.00 C ATOM 1132 O LEU A 75 0.607 -1.071 -3.753 1.00 0.00 O ATOM 1133 CB LEU A 75 0.162 -2.750 -0.879 1.00 0.00 C ATOM 1134 CG LEU A 75 0.549 -3.958 -0.023 1.00 0.00 C ATOM 1135 CD1 LEU A 75 1.253 -3.517 1.261 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.669 -4.839 0.264 1.00 0.00 C ATOM 0 H LEU A 75 2.156 -2.821 -2.842 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.671 -3.722 -2.551 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.869 -1.945 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.819 -2.400 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 75 1.259 -4.563 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.517 -4.395 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.158 -2.964 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.587 -2.878 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.367 -5.690 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.420 -4.258 0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.089 -5.197 -0.676 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.557 -1.468 -3.231 1.00 0.00 N ATOM 1149 CA ILE A 76 -2.060 -0.316 -3.959 1.00 0.00 C ATOM 1150 C ILE A 76 -2.771 0.626 -2.985 1.00 0.00 C ATOM 1151 O ILE A 76 -3.780 0.258 -2.385 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.934 -0.763 -5.132 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -2.130 -1.601 -6.128 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.606 0.437 -5.803 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -3.056 -2.382 -7.061 1.00 0.00 C ATOM 0 H ILE A 76 -2.274 -2.025 -2.767 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.237 0.245 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.728 -1.401 -4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.481 -0.951 -6.715 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.484 -2.293 -5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.222 0.092 -6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.233 0.955 -5.078 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.843 1.120 -6.176 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.459 -2.969 -7.759 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.687 -3.049 -6.473 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.684 -1.686 -7.617 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.218 1.823 -2.859 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.787 2.821 -1.969 1.00 0.00 C ATOM 1169 C VAL A 77 -3.748 3.713 -2.757 1.00 0.00 C ATOM 1170 O VAL A 77 -3.315 4.586 -3.508 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.669 3.607 -1.281 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.241 4.742 -0.429 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.786 2.682 -0.440 1.00 0.00 C ATOM 0 H VAL A 77 -1.381 2.125 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.364 2.342 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.046 4.052 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.425 5.285 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.808 5.423 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.898 4.327 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.001 3.266 0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.392 2.196 0.324 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.336 1.925 -1.083 1.00 0.00 H new ATOM 1183 N GLU A 78 -5.034 3.464 -2.559 1.00 0.00 N ATOM 1184 CA GLU A 78 -6.059 4.234 -3.242 1.00 0.00 C ATOM 1185 C GLU A 78 -6.667 5.268 -2.293 1.00 0.00 C ATOM 1186 O GLU A 78 -6.572 5.129 -1.074 1.00 0.00 O ATOM 1187 CB GLU A 78 -7.140 3.317 -3.818 1.00 0.00 C ATOM 1188 CG GLU A 78 -7.012 3.207 -5.339 1.00 0.00 C ATOM 1189 CD GLU A 78 -8.387 3.252 -6.010 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -9.141 2.273 -5.825 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -8.651 4.265 -6.692 1.00 0.00 O ATOM 0 H GLU A 78 -5.390 2.740 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.595 4.762 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.058 2.327 -3.370 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.126 3.704 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.393 4.021 -5.715 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -6.507 2.277 -5.599 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.276 6.283 -2.887 1.00 0.00 N ATOM 1199 CA VAL A 79 -7.899 7.341 -2.109 1.00 0.00 C ATOM 1200 C VAL A 79 -9.413 7.305 -2.328 1.00 0.00 C ATOM 1201 O VAL A 79 -9.887 7.505 -3.445 1.00 0.00 O ATOM 1202 CB VAL A 79 -7.275 8.691 -2.469 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -7.187 8.869 -3.986 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -8.051 9.842 -1.826 1.00 0.00 C ATOM 0 H VAL A 79 -7.352 6.396 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.721 7.189 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.260 8.707 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.740 9.837 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.571 8.076 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.187 8.821 -4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.587 10.790 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.082 9.828 -2.180 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.038 9.729 -0.742 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.129 7.050 -1.243 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.580 6.985 -1.302 1.00 0.00 C ATOM 1216 C LEU A 80 -12.121 8.293 -1.883 1.00 0.00 C ATOM 1217 O LEU A 80 -12.692 8.303 -2.972 1.00 0.00 O ATOM 1218 CB LEU A 80 -12.157 6.637 0.071 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.779 5.263 0.629 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -12.217 5.124 2.088 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.340 4.142 -0.248 1.00 0.00 C ATOM 0 H LEU A 80 -9.732 6.886 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.899 6.183 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.834 7.397 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.244 6.697 0.012 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.693 5.173 0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.936 4.139 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.729 5.891 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.298 5.243 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.057 3.176 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.427 4.217 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.936 4.232 -1.256 1.00 0.00 H new