USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 566 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 31 ASN : amide:sc= -4.09! C(o=-4.1!,f=-5.3!) USER MOD Set 1.2: A 48 ASN : amide:sc= -0.0203 K(o=-4.1,f=-6.7) USER MOD Single : A 3 SER OG : rot 180:sc= -0.156 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -3.11! K(o=-3.1!,f=-1.9) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.267 K(o=-0.27,f=-1.5!) USER MOD Single : A 14 MET CE :methyl -107:sc= -15! (180deg=-17.3!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.167 USER MOD Single : A 17 HIS : no HD1:sc= -6.28! C(o=-6.3!,f=-4.7!) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 0.107 (180deg=0.021) USER MOD Single : A 28 HIS : no HE2:sc= -6.44! C(o=-6.4!,f=-10!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 0:sc= -7.27! USER MOD Single : A 36 CYS SG : rot 46:sc= -6.19! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -3.96! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -151:sc= -1.3 (180deg=-2.76!) USER MOD Single : A 61 MET CE :methyl 173:sc= -19.5! (180deg=-20.2!) USER MOD Single : A 66 GLN : amide:sc= -4.79! C(o=-4.8!,f=-5.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.128 7.915 4.488 1.00 0.00 N ATOM 2 CA PRO A 1 -2.952 6.861 3.442 1.00 0.00 C ATOM 3 C PRO A 1 -3.526 5.536 3.948 1.00 0.00 C ATOM 4 O PRO A 1 -4.296 4.884 3.273 1.00 0.00 O ATOM 5 CB PRO A 1 -1.458 6.707 3.165 1.00 0.00 C ATOM 6 CG PRO A 1 -0.724 7.665 4.094 1.00 0.00 C ATOM 7 CD PRO A 1 -1.781 8.413 4.904 1.00 0.00 C ATOM 0 H2 PRO A 1 -3.627 7.534 5.292 1.00 0.00 H new ATOM 0 H3 PRO A 1 -3.691 8.683 4.124 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.475 7.143 2.528 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -1.138 5.680 3.342 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.235 6.936 2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.050 7.119 4.754 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -0.114 8.363 3.521 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -1.628 8.250 5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -1.703 9.486 4.732 1.00 0.00 H new ATOM 17 N ILE A 2 -3.162 5.138 5.137 1.00 0.00 N ATOM 18 CA ILE A 2 -3.692 3.859 5.688 1.00 0.00 C ATOM 19 C ILE A 2 -5.168 4.035 6.046 1.00 0.00 C ATOM 20 O ILE A 2 -6.037 3.410 5.470 1.00 0.00 O ATOM 21 CB ILE A 2 -2.908 3.478 6.945 1.00 0.00 C ATOM 22 CG1 ILE A 2 -1.424 3.793 6.740 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.074 1.982 7.219 1.00 0.00 C ATOM 24 CD1 ILE A 2 -0.964 3.235 5.392 1.00 0.00 C ATOM 0 H ILE A 2 -2.521 5.643 5.750 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.586 3.071 4.942 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.288 4.049 7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -1.262 4.870 6.774 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.834 3.357 7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.515 1.712 8.115 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -4.130 1.754 7.368 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.696 1.412 6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 2 0.093 3.460 5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -1.111 2.155 5.376 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.546 3.692 4.591 1.00 0.00 H new ATOM 36 N SER A 3 -5.458 4.882 6.995 1.00 0.00 N ATOM 37 CA SER A 3 -6.877 5.100 7.392 1.00 0.00 C ATOM 38 C SER A 3 -7.713 5.400 6.147 1.00 0.00 C ATOM 39 O SER A 3 -8.810 4.904 5.993 1.00 0.00 O ATOM 40 CB SER A 3 -6.960 6.278 8.360 1.00 0.00 C ATOM 41 OG SER A 3 -6.674 7.482 7.662 1.00 0.00 O ATOM 0 H SER A 3 -4.773 5.433 7.513 1.00 0.00 H new ATOM 0 HA SER A 3 -7.261 4.204 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.954 6.329 8.804 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.252 6.142 9.178 1.00 0.00 H new ATOM 0 HG SER A 3 -6.728 8.240 8.281 1.00 0.00 H new ATOM 47 N GLN A 4 -7.202 6.203 5.252 1.00 0.00 N ATOM 48 CA GLN A 4 -7.973 6.521 4.018 1.00 0.00 C ATOM 49 C GLN A 4 -8.295 5.218 3.288 1.00 0.00 C ATOM 50 O GLN A 4 -9.439 4.925 2.992 1.00 0.00 O ATOM 51 CB GLN A 4 -7.140 7.427 3.108 1.00 0.00 C ATOM 52 CG GLN A 4 -7.148 8.854 3.660 1.00 0.00 C ATOM 53 CD GLN A 4 -7.100 9.851 2.500 1.00 0.00 C ATOM 54 OE1 GLN A 4 -7.952 10.710 2.388 1.00 0.00 O ATOM 55 NE2 GLN A 4 -6.133 9.773 1.628 1.00 0.00 N ATOM 0 H GLN A 4 -6.288 6.650 5.323 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.897 7.036 4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -6.117 7.056 3.046 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.545 7.415 2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.044 9.019 4.258 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -6.293 9.005 4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.418 9.052 1.723 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.092 10.433 0.852 1.00 0.00 H new ATOM 64 N VAL A 5 -7.300 4.424 3.003 1.00 0.00 N ATOM 65 CA VAL A 5 -7.573 3.141 2.309 1.00 0.00 C ATOM 66 C VAL A 5 -8.632 2.396 3.102 1.00 0.00 C ATOM 67 O VAL A 5 -9.743 2.247 2.661 1.00 0.00 O ATOM 68 CB VAL A 5 -6.300 2.293 2.240 1.00 0.00 C ATOM 69 CG1 VAL A 5 -6.569 0.992 1.483 1.00 0.00 C ATOM 70 CG2 VAL A 5 -5.187 3.070 1.538 1.00 0.00 C ATOM 0 H VAL A 5 -6.320 4.608 3.219 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.915 3.335 1.292 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.988 2.056 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.655 0.399 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.346 0.426 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -6.898 1.222 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.287 2.457 1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.503 3.323 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.977 3.985 2.092 1.00 0.00 H new ATOM 80 N HIS A 6 -8.297 1.949 4.282 1.00 0.00 N ATOM 81 CA HIS A 6 -9.287 1.226 5.122 1.00 0.00 C ATOM 82 C HIS A 6 -10.680 1.822 4.906 1.00 0.00 C ATOM 83 O HIS A 6 -11.666 1.116 4.839 1.00 0.00 O ATOM 84 CB HIS A 6 -8.891 1.383 6.587 1.00 0.00 C ATOM 85 CG HIS A 6 -7.679 0.541 6.874 1.00 0.00 C ATOM 86 ND1 HIS A 6 -7.761 -0.827 7.079 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.349 0.860 6.990 1.00 0.00 C ATOM 88 CE1 HIS A 6 -6.514 -1.278 7.304 1.00 0.00 C ATOM 89 NE2 HIS A 6 -5.614 -0.291 7.262 1.00 0.00 N ATOM 0 H HIS A 6 -7.373 2.056 4.701 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.304 0.171 4.848 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.680 2.429 6.807 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.717 1.082 7.232 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.936 1.852 6.886 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.270 -2.312 7.495 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -4.606 -0.365 7.400 1.00 0.00 H new ATOM 97 N GLU A 7 -10.760 3.118 4.777 1.00 0.00 N ATOM 98 CA GLU A 7 -12.083 3.766 4.559 1.00 0.00 C ATOM 99 C GLU A 7 -12.676 3.312 3.224 1.00 0.00 C ATOM 100 O GLU A 7 -13.771 2.797 3.171 1.00 0.00 O ATOM 101 CB GLU A 7 -11.908 5.286 4.549 1.00 0.00 C ATOM 102 CG GLU A 7 -12.370 5.862 5.888 1.00 0.00 C ATOM 103 CD GLU A 7 -12.118 7.370 5.910 1.00 0.00 C ATOM 104 OE1 GLU A 7 -11.181 7.806 5.260 1.00 0.00 O ATOM 105 OE2 GLU A 7 -12.868 8.066 6.576 1.00 0.00 O ATOM 0 H GLU A 7 -9.965 3.756 4.813 1.00 0.00 H new ATOM 0 HA GLU A 7 -12.759 3.479 5.364 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.863 5.541 4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.485 5.724 3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.430 5.658 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.835 5.381 6.707 1.00 0.00 H new ATOM 112 N ILE A 8 -11.966 3.504 2.145 1.00 0.00 N ATOM 113 CA ILE A 8 -12.513 3.085 0.809 1.00 0.00 C ATOM 114 C ILE A 8 -12.493 1.553 0.698 1.00 0.00 C ATOM 115 O ILE A 8 -13.491 0.929 0.398 1.00 0.00 O ATOM 116 CB ILE A 8 -11.705 3.745 -0.349 1.00 0.00 C ATOM 117 CG1 ILE A 8 -11.405 2.731 -1.476 1.00 0.00 C ATOM 118 CG2 ILE A 8 -10.391 4.342 0.164 1.00 0.00 C ATOM 119 CD1 ILE A 8 -10.141 1.902 -1.169 1.00 0.00 C ATOM 0 H ILE A 8 -11.039 3.928 2.123 1.00 0.00 H new ATOM 0 HA ILE A 8 -13.545 3.425 0.724 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.324 4.546 -0.754 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.257 2.063 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.273 3.262 -2.419 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.849 4.795 -0.666 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.605 5.102 0.916 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -9.782 3.554 0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.960 1.199 -1.982 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.284 2.568 -1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.284 1.351 -0.239 1.00 0.00 H new ATOM 131 N GLY A 9 -11.363 0.950 0.919 1.00 0.00 N ATOM 132 CA GLY A 9 -11.258 -0.521 0.812 1.00 0.00 C ATOM 133 C GLY A 9 -12.444 -1.176 1.523 1.00 0.00 C ATOM 134 O GLY A 9 -13.084 -2.053 0.991 1.00 0.00 O ATOM 0 H GLY A 9 -10.496 1.424 1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.241 -0.819 -0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.322 -0.862 1.256 1.00 0.00 H new ATOM 138 N ILE A 10 -12.744 -0.772 2.728 1.00 0.00 N ATOM 139 CA ILE A 10 -13.890 -1.410 3.441 1.00 0.00 C ATOM 140 C ILE A 10 -15.224 -0.928 2.848 1.00 0.00 C ATOM 141 O ILE A 10 -16.132 -1.706 2.633 1.00 0.00 O ATOM 142 CB ILE A 10 -13.810 -1.074 4.941 1.00 0.00 C ATOM 143 CG1 ILE A 10 -13.287 -2.301 5.671 1.00 0.00 C ATOM 144 CG2 ILE A 10 -15.189 -0.698 5.508 1.00 0.00 C ATOM 145 CD1 ILE A 10 -14.213 -3.480 5.371 1.00 0.00 C ATOM 0 H ILE A 10 -12.255 -0.040 3.243 1.00 0.00 H new ATOM 0 HA ILE A 10 -13.836 -2.491 3.316 1.00 0.00 H new ATOM 0 HB ILE A 10 -13.148 -0.219 5.079 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.270 -2.527 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -13.248 -2.114 6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -15.095 -0.467 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -15.574 0.174 4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -15.876 -1.534 5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -13.850 -4.368 5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -15.221 -3.247 5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.228 -3.666 4.297 1.00 0.00 H new ATOM 157 N LYS A 11 -15.359 0.344 2.610 1.00 0.00 N ATOM 158 CA LYS A 11 -16.643 0.863 2.061 1.00 0.00 C ATOM 159 C LYS A 11 -16.888 0.300 0.662 1.00 0.00 C ATOM 160 O LYS A 11 -17.959 0.437 0.107 1.00 0.00 O ATOM 161 CB LYS A 11 -16.573 2.386 1.979 1.00 0.00 C ATOM 162 CG LYS A 11 -17.564 3.001 2.971 1.00 0.00 C ATOM 163 CD LYS A 11 -17.940 4.411 2.510 1.00 0.00 C ATOM 164 CE LYS A 11 -16.767 5.361 2.760 1.00 0.00 C ATOM 165 NZ LYS A 11 -17.182 6.757 2.442 1.00 0.00 N ATOM 0 H LYS A 11 -14.638 1.047 2.771 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.458 0.557 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.562 2.726 2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -16.804 2.717 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.457 2.380 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.122 3.038 3.967 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.195 4.402 1.450 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.823 4.757 3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.446 5.294 3.799 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.915 5.074 2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -16.385 7.403 2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.468 6.815 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.982 7.028 3.048 1.00 0.00 H new ATOM 179 N ARG A 12 -15.905 -0.324 0.084 1.00 0.00 N ATOM 180 CA ARG A 12 -16.089 -0.885 -1.285 1.00 0.00 C ATOM 181 C ARG A 12 -15.860 -2.395 -1.262 1.00 0.00 C ATOM 182 O ARG A 12 -15.805 -3.039 -2.291 1.00 0.00 O ATOM 183 CB ARG A 12 -15.085 -0.232 -2.238 1.00 0.00 C ATOM 184 CG ARG A 12 -15.321 1.279 -2.268 1.00 0.00 C ATOM 185 CD ARG A 12 -15.818 1.689 -3.655 1.00 0.00 C ATOM 186 NE ARG A 12 -17.227 2.170 -3.563 1.00 0.00 N ATOM 187 CZ ARG A 12 -18.063 1.605 -2.734 1.00 0.00 C ATOM 188 NH1 ARG A 12 -18.497 0.396 -2.969 1.00 0.00 N ATOM 189 NH2 ARG A 12 -18.464 2.247 -1.671 1.00 0.00 N ATOM 0 H ARG A 12 -14.984 -0.471 0.496 1.00 0.00 H new ATOM 0 HA ARG A 12 -17.105 -0.682 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.067 -0.446 -1.913 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.194 -0.648 -3.240 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -16.053 1.559 -1.510 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.398 1.807 -2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.181 2.474 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -15.757 0.842 -4.339 1.00 0.00 H new ATOM 0 HE ARG A 12 -17.539 2.944 -4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -18.183 -0.106 -3.799 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -19.150 -0.046 -2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -18.124 3.191 -1.487 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -19.117 1.805 -1.024 1.00 0.00 H new ATOM 203 N ASN A 13 -15.716 -2.962 -0.096 1.00 0.00 N ATOM 204 CA ASN A 13 -15.480 -4.429 0.003 1.00 0.00 C ATOM 205 C ASN A 13 -14.012 -4.725 -0.307 1.00 0.00 C ATOM 206 O ASN A 13 -13.553 -5.842 -0.173 1.00 0.00 O ATOM 207 CB ASN A 13 -16.374 -5.167 -0.996 1.00 0.00 C ATOM 208 CG ASN A 13 -17.118 -6.294 -0.278 1.00 0.00 C ATOM 209 OD1 ASN A 13 -16.654 -6.801 0.725 1.00 0.00 O ATOM 210 ND2 ASN A 13 -18.261 -6.711 -0.750 1.00 0.00 N ATOM 0 H ASN A 13 -15.752 -2.469 0.796 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.718 -4.767 1.012 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -17.086 -4.474 -1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -15.771 -5.574 -1.808 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.765 -7.462 -0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -18.651 -6.286 -1.591 1.00 0.00 H new ATOM 217 N MET A 14 -13.267 -3.733 -0.718 1.00 0.00 N ATOM 218 CA MET A 14 -11.836 -3.959 -1.029 1.00 0.00 C ATOM 219 C MET A 14 -11.027 -3.991 0.267 1.00 0.00 C ATOM 220 O MET A 14 -10.548 -2.981 0.738 1.00 0.00 O ATOM 221 CB MET A 14 -11.342 -2.829 -1.928 1.00 0.00 C ATOM 222 CG MET A 14 -11.593 -3.214 -3.387 1.00 0.00 C ATOM 223 SD MET A 14 -11.611 -1.722 -4.404 1.00 0.00 S ATOM 224 CE MET A 14 -9.919 -1.210 -4.039 1.00 0.00 C ATOM 0 H MET A 14 -13.594 -2.776 -0.850 1.00 0.00 H new ATOM 0 HA MET A 14 -11.713 -4.913 -1.542 1.00 0.00 H new ATOM 0 HB2 MET A 14 -11.861 -1.901 -1.688 1.00 0.00 H new ATOM 0 HB3 MET A 14 -10.279 -2.652 -1.762 1.00 0.00 H new ATOM 0 HG2 MET A 14 -10.816 -3.895 -3.734 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.543 -3.741 -3.478 1.00 0.00 H new ATOM 0 HE1 MET A 14 -9.936 -0.347 -3.374 1.00 0.00 H new ATOM 0 HE2 MET A 14 -9.387 -2.030 -3.556 1.00 0.00 H new ATOM 0 HE3 MET A 14 -9.411 -0.944 -4.966 1.00 0.00 H new ATOM 234 N THR A 15 -10.878 -5.150 0.847 1.00 0.00 N ATOM 235 CA THR A 15 -10.107 -5.259 2.116 1.00 0.00 C ATOM 236 C THR A 15 -8.852 -4.393 2.036 1.00 0.00 C ATOM 237 O THR A 15 -8.412 -4.014 0.970 1.00 0.00 O ATOM 238 CB THR A 15 -9.711 -6.721 2.361 1.00 0.00 C ATOM 239 OG1 THR A 15 -10.267 -7.540 1.341 1.00 0.00 O ATOM 240 CG2 THR A 15 -10.257 -7.155 3.721 1.00 0.00 C ATOM 0 H THR A 15 -11.258 -6.029 0.495 1.00 0.00 H new ATOM 0 HA THR A 15 -10.730 -4.913 2.941 1.00 0.00 H new ATOM 0 HB THR A 15 -8.626 -6.821 2.348 1.00 0.00 H new ATOM 0 HG1 THR A 15 -10.013 -8.474 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.983 -8.193 3.909 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.835 -6.522 4.501 1.00 0.00 H new ATOM 0 HG23 THR A 15 -11.343 -7.060 3.724 1.00 0.00 H new ATOM 248 N VAL A 16 -8.276 -4.078 3.159 1.00 0.00 N ATOM 249 CA VAL A 16 -7.048 -3.238 3.168 1.00 0.00 C ATOM 250 C VAL A 16 -6.020 -3.890 4.087 1.00 0.00 C ATOM 251 O VAL A 16 -6.024 -3.669 5.282 1.00 0.00 O ATOM 252 CB VAL A 16 -7.386 -1.845 3.700 1.00 0.00 C ATOM 253 CG1 VAL A 16 -6.095 -1.051 3.921 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.270 -1.113 2.688 1.00 0.00 C ATOM 0 H VAL A 16 -8.606 -4.369 4.080 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.649 -3.151 2.157 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.918 -1.939 4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.339 -0.059 4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.467 -1.572 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.559 -0.957 2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.511 -0.120 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.739 -1.021 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.191 -1.676 2.535 1.00 0.00 H new ATOM 264 N HIS A 17 -5.147 -4.700 3.556 1.00 0.00 N ATOM 265 CA HIS A 17 -4.141 -5.354 4.459 1.00 0.00 C ATOM 266 C HIS A 17 -2.744 -4.790 4.199 1.00 0.00 C ATOM 267 O HIS A 17 -2.052 -5.191 3.287 1.00 0.00 O ATOM 268 CB HIS A 17 -4.137 -6.870 4.249 1.00 0.00 C ATOM 269 CG HIS A 17 -5.411 -7.451 4.810 1.00 0.00 C ATOM 270 ND1 HIS A 17 -5.916 -7.062 6.041 1.00 0.00 N ATOM 271 CD2 HIS A 17 -6.291 -8.390 4.324 1.00 0.00 C ATOM 272 CE1 HIS A 17 -7.049 -7.756 6.252 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.324 -8.579 5.238 1.00 0.00 N ATOM 0 H HIS A 17 -5.080 -4.937 2.566 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.421 -5.143 5.491 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.054 -7.102 3.187 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.272 -7.315 4.741 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -6.195 -8.902 3.378 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.662 -7.659 7.136 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -8.120 -9.211 5.151 1.00 0.00 H new ATOM 281 N PHE A 18 -2.334 -3.850 5.006 1.00 0.00 N ATOM 282 CA PHE A 18 -0.994 -3.227 4.832 1.00 0.00 C ATOM 283 C PHE A 18 0.093 -4.061 5.522 1.00 0.00 C ATOM 284 O PHE A 18 0.077 -4.250 6.723 1.00 0.00 O ATOM 285 CB PHE A 18 -1.024 -1.831 5.452 1.00 0.00 C ATOM 286 CG PHE A 18 -1.681 -0.885 4.486 1.00 0.00 C ATOM 287 CD1 PHE A 18 -0.972 -0.440 3.372 1.00 0.00 C ATOM 288 CD2 PHE A 18 -3.001 -0.460 4.694 1.00 0.00 C ATOM 289 CE1 PHE A 18 -1.574 0.428 2.463 1.00 0.00 C ATOM 290 CE2 PHE A 18 -3.603 0.412 3.784 1.00 0.00 C ATOM 291 CZ PHE A 18 -2.891 0.856 2.668 1.00 0.00 C ATOM 0 H PHE A 18 -2.878 -3.484 5.787 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.763 -3.174 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.572 -1.848 6.394 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.011 -1.497 5.678 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.045 -0.768 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.551 -0.806 5.556 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.024 0.771 1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.619 0.743 3.944 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.356 1.529 1.963 1.00 0.00 H new ATOM 301 N LYS A 19 1.049 -4.542 4.770 1.00 0.00 N ATOM 302 CA LYS A 19 2.152 -5.340 5.371 1.00 0.00 C ATOM 303 C LYS A 19 3.410 -5.142 4.522 1.00 0.00 C ATOM 304 O LYS A 19 3.443 -5.503 3.365 1.00 0.00 O ATOM 305 CB LYS A 19 1.768 -6.821 5.389 1.00 0.00 C ATOM 306 CG LYS A 19 1.620 -7.292 6.837 1.00 0.00 C ATOM 307 CD LYS A 19 2.971 -7.191 7.549 1.00 0.00 C ATOM 308 CE LYS A 19 3.774 -8.472 7.308 1.00 0.00 C ATOM 309 NZ LYS A 19 5.111 -8.123 6.751 1.00 0.00 N ATOM 0 H LYS A 19 1.111 -4.414 3.760 1.00 0.00 H new ATOM 0 HA LYS A 19 2.336 -5.013 6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.833 -6.972 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.529 -7.411 4.879 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.878 -6.683 7.354 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.261 -8.321 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.525 -6.328 7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.820 -7.040 8.618 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.890 -9.022 8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.240 -9.124 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.511 -8.950 6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.012 -7.338 6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.745 -7.837 7.524 1.00 0.00 H new ATOM 323 N VAL A 20 4.443 -4.569 5.079 1.00 0.00 N ATOM 324 CA VAL A 20 5.686 -4.349 4.281 1.00 0.00 C ATOM 325 C VAL A 20 6.465 -5.656 4.190 1.00 0.00 C ATOM 326 O VAL A 20 6.747 -6.299 5.182 1.00 0.00 O ATOM 327 CB VAL A 20 6.536 -3.267 4.950 1.00 0.00 C ATOM 328 CG1 VAL A 20 7.865 -3.127 4.205 1.00 0.00 C ATOM 329 CG2 VAL A 20 5.781 -1.934 4.897 1.00 0.00 C ATOM 0 H VAL A 20 4.481 -4.245 6.045 1.00 0.00 H new ATOM 0 HA VAL A 20 5.427 -4.021 3.274 1.00 0.00 H new ATOM 0 HB VAL A 20 6.730 -3.542 5.987 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.470 -2.356 4.682 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.399 -4.077 4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.674 -2.848 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.380 -1.157 5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.593 -1.663 3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.832 -2.032 5.423 1.00 0.00 H new ATOM 339 N LEU A 21 6.788 -6.066 2.994 1.00 0.00 N ATOM 340 CA LEU A 21 7.518 -7.346 2.820 1.00 0.00 C ATOM 341 C LEU A 21 8.782 -7.136 1.986 1.00 0.00 C ATOM 342 O LEU A 21 9.419 -8.085 1.574 1.00 0.00 O ATOM 343 CB LEU A 21 6.609 -8.336 2.100 1.00 0.00 C ATOM 344 CG LEU A 21 5.819 -7.606 1.023 1.00 0.00 C ATOM 345 CD1 LEU A 21 5.577 -8.538 -0.165 1.00 0.00 C ATOM 346 CD2 LEU A 21 4.491 -7.188 1.628 1.00 0.00 C ATOM 0 H LEU A 21 6.576 -5.566 2.130 1.00 0.00 H new ATOM 0 HA LEU A 21 7.803 -7.728 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.203 -9.133 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.929 -8.805 2.811 1.00 0.00 H new ATOM 0 HG LEU A 21 6.370 -6.734 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.011 -8.010 -0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.534 -8.859 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.013 -9.410 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.900 -6.661 0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.949 -8.073 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.670 -6.530 2.478 1.00 0.00 H new ATOM 358 N ARG A 22 9.152 -5.915 1.714 1.00 0.00 N ATOM 359 CA ARG A 22 10.376 -5.706 0.883 1.00 0.00 C ATOM 360 C ARG A 22 11.142 -4.458 1.330 1.00 0.00 C ATOM 361 O ARG A 22 10.593 -3.549 1.921 1.00 0.00 O ATOM 362 CB ARG A 22 9.967 -5.552 -0.581 1.00 0.00 C ATOM 363 CG ARG A 22 10.829 -6.466 -1.452 1.00 0.00 C ATOM 364 CD ARG A 22 9.928 -7.313 -2.355 1.00 0.00 C ATOM 365 NE ARG A 22 10.584 -8.625 -2.631 1.00 0.00 N ATOM 366 CZ ARG A 22 11.880 -8.694 -2.779 1.00 0.00 C ATOM 367 NH1 ARG A 22 12.431 -8.322 -3.902 1.00 0.00 N ATOM 368 NH2 ARG A 22 12.625 -9.134 -1.802 1.00 0.00 N ATOM 0 H ARG A 22 8.674 -5.068 2.022 1.00 0.00 H new ATOM 0 HA ARG A 22 11.029 -6.570 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.914 -5.804 -0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.086 -4.515 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.512 -5.870 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.442 -7.112 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.962 -7.472 -1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.737 -6.787 -3.290 1.00 0.00 H new ATOM 0 HE ARG A 22 10.018 -9.471 -2.704 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.850 -7.977 -4.666 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.443 -8.376 -4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 22 12.195 -9.424 -0.924 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.637 -9.188 -1.917 1.00 0.00 H new ATOM 382 N GLU A 23 12.419 -4.417 1.040 1.00 0.00 N ATOM 383 CA GLU A 23 13.253 -3.242 1.427 1.00 0.00 C ATOM 384 C GLU A 23 14.486 -3.181 0.518 1.00 0.00 C ATOM 385 O GLU A 23 15.067 -4.194 0.180 1.00 0.00 O ATOM 386 CB GLU A 23 13.706 -3.386 2.881 1.00 0.00 C ATOM 387 CG GLU A 23 12.624 -4.104 3.691 1.00 0.00 C ATOM 388 CD GLU A 23 13.135 -4.364 5.109 1.00 0.00 C ATOM 389 OE1 GLU A 23 13.272 -3.408 5.853 1.00 0.00 O ATOM 390 OE2 GLU A 23 13.381 -5.516 5.427 1.00 0.00 O ATOM 0 H GLU A 23 12.922 -5.155 0.547 1.00 0.00 H new ATOM 0 HA GLU A 23 12.666 -2.330 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.640 -3.946 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.902 -2.403 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.718 -3.498 3.725 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.360 -5.046 3.210 1.00 0.00 H new ATOM 397 N GLU A 24 14.892 -2.005 0.121 1.00 0.00 N ATOM 398 CA GLU A 24 16.088 -1.886 -0.766 1.00 0.00 C ATOM 399 C GLU A 24 17.219 -2.768 -0.231 1.00 0.00 C ATOM 400 O GLU A 24 17.234 -3.144 0.923 1.00 0.00 O ATOM 401 CB GLU A 24 16.553 -0.427 -0.798 1.00 0.00 C ATOM 402 CG GLU A 24 17.871 -0.318 -1.571 1.00 0.00 C ATOM 403 CD GLU A 24 17.649 -0.738 -3.026 1.00 0.00 C ATOM 404 OE1 GLU A 24 16.547 -0.550 -3.516 1.00 0.00 O ATOM 405 OE2 GLU A 24 18.585 -1.239 -3.626 1.00 0.00 O ATOM 0 H GLU A 24 14.448 -1.121 0.372 1.00 0.00 H new ATOM 0 HA GLU A 24 15.824 -2.210 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.792 0.196 -1.269 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.685 -0.056 0.218 1.00 0.00 H new ATOM 0 HG2 GLU A 24 18.245 0.705 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.628 -0.952 -1.110 1.00 0.00 H new ATOM 412 N GLY A 25 18.168 -3.098 -1.066 1.00 0.00 N ATOM 413 CA GLY A 25 19.302 -3.952 -0.612 1.00 0.00 C ATOM 414 C GLY A 25 20.111 -3.204 0.457 1.00 0.00 C ATOM 415 O GLY A 25 19.555 -2.749 1.437 1.00 0.00 O ATOM 0 H GLY A 25 18.206 -2.812 -2.044 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.924 -4.891 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 25 19.942 -4.204 -1.457 1.00 0.00 H new ATOM 419 N PRO A 26 21.403 -3.100 0.244 1.00 0.00 N ATOM 420 CA PRO A 26 22.299 -2.411 1.192 1.00 0.00 C ATOM 421 C PRO A 26 21.922 -0.931 1.309 1.00 0.00 C ATOM 422 O PRO A 26 21.243 -0.525 2.231 1.00 0.00 O ATOM 423 CB PRO A 26 23.704 -2.567 0.594 1.00 0.00 C ATOM 424 CG PRO A 26 23.560 -3.315 -0.756 1.00 0.00 C ATOM 425 CD PRO A 26 22.073 -3.656 -0.945 1.00 0.00 C ATOM 0 HA PRO A 26 22.234 -2.829 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 26 24.166 -1.591 0.443 1.00 0.00 H new ATOM 0 HB3 PRO A 26 24.349 -3.124 1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 26 23.917 -2.694 -1.577 1.00 0.00 H new ATOM 0 HG3 PRO A 26 24.164 -4.223 -0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 26 21.680 -3.216 -1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 26 21.921 -4.733 -1.017 1.00 0.00 H new ATOM 433 N ALA A 27 22.360 -0.122 0.385 1.00 0.00 N ATOM 434 CA ALA A 27 22.029 1.331 0.448 1.00 0.00 C ATOM 435 C ALA A 27 21.810 1.874 -0.964 1.00 0.00 C ATOM 436 O ALA A 27 22.736 2.294 -1.630 1.00 0.00 O ATOM 437 CB ALA A 27 23.180 2.088 1.110 1.00 0.00 C ATOM 0 H ALA A 27 22.933 -0.403 -0.411 1.00 0.00 H new ATOM 0 HA ALA A 27 21.118 1.466 1.031 1.00 0.00 H new ATOM 0 HB1 ALA A 27 22.938 3.150 1.156 1.00 0.00 H new ATOM 0 HB2 ALA A 27 23.333 1.707 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 27 24.090 1.948 0.527 1.00 0.00 H new ATOM 443 N HIS A 28 20.590 1.873 -1.425 1.00 0.00 N ATOM 444 CA HIS A 28 20.305 2.392 -2.791 1.00 0.00 C ATOM 445 C HIS A 28 18.833 2.794 -2.871 1.00 0.00 C ATOM 446 O HIS A 28 17.976 1.990 -3.181 1.00 0.00 O ATOM 447 CB HIS A 28 20.596 1.300 -3.823 1.00 0.00 C ATOM 448 CG HIS A 28 21.897 0.625 -3.480 1.00 0.00 C ATOM 449 ND1 HIS A 28 23.122 1.151 -3.856 1.00 0.00 N ATOM 450 CD2 HIS A 28 22.177 -0.530 -2.795 1.00 0.00 C ATOM 451 CE1 HIS A 28 24.077 0.320 -3.398 1.00 0.00 C ATOM 452 NE2 HIS A 28 23.555 -0.720 -2.743 1.00 0.00 N ATOM 0 H HIS A 28 19.776 1.534 -0.912 1.00 0.00 H new ATOM 0 HA HIS A 28 20.935 3.257 -2.998 1.00 0.00 H new ATOM 0 HB2 HIS A 28 19.787 0.570 -3.835 1.00 0.00 H new ATOM 0 HB3 HIS A 28 20.650 1.733 -4.822 1.00 0.00 H new ATOM 0 HD1 HIS A 28 23.273 2.011 -4.384 1.00 0.00 H new ATOM 0 HD2 HIS A 28 21.441 -1.191 -2.362 1.00 0.00 H new ATOM 0 HE1 HIS A 28 25.136 0.475 -3.543 1.00 0.00 H new ATOM 460 N MET A 29 18.525 4.028 -2.580 1.00 0.00 N ATOM 461 CA MET A 29 17.102 4.461 -2.628 1.00 0.00 C ATOM 462 C MET A 29 16.269 3.472 -1.813 1.00 0.00 C ATOM 463 O MET A 29 15.629 2.597 -2.356 1.00 0.00 O ATOM 464 CB MET A 29 16.615 4.464 -4.078 1.00 0.00 C ATOM 465 CG MET A 29 16.629 5.894 -4.619 1.00 0.00 C ATOM 466 SD MET A 29 15.259 6.109 -5.781 1.00 0.00 S ATOM 467 CE MET A 29 16.013 7.416 -6.780 1.00 0.00 C ATOM 0 H MET A 29 19.193 4.751 -2.313 1.00 0.00 H new ATOM 0 HA MET A 29 17.002 5.466 -2.217 1.00 0.00 H new ATOM 0 HB2 MET A 29 17.255 3.827 -4.689 1.00 0.00 H new ATOM 0 HB3 MET A 29 15.607 4.052 -4.135 1.00 0.00 H new ATOM 0 HG2 MET A 29 16.540 6.606 -3.799 1.00 0.00 H new ATOM 0 HG3 MET A 29 17.578 6.097 -5.116 1.00 0.00 H new ATOM 0 HE1 MET A 29 15.327 7.708 -7.575 1.00 0.00 H new ATOM 0 HE2 MET A 29 16.227 8.279 -6.149 1.00 0.00 H new ATOM 0 HE3 MET A 29 16.941 7.049 -7.219 1.00 0.00 H new ATOM 477 N LYS A 30 16.290 3.597 -0.514 1.00 0.00 N ATOM 478 CA LYS A 30 15.518 2.656 0.345 1.00 0.00 C ATOM 479 C LYS A 30 14.043 2.645 -0.065 1.00 0.00 C ATOM 480 O LYS A 30 13.226 3.344 0.499 1.00 0.00 O ATOM 481 CB LYS A 30 15.633 3.094 1.806 1.00 0.00 C ATOM 482 CG LYS A 30 17.061 3.557 2.097 1.00 0.00 C ATOM 483 CD LYS A 30 17.547 2.927 3.406 1.00 0.00 C ATOM 484 CE LYS A 30 17.094 3.787 4.587 1.00 0.00 C ATOM 485 NZ LYS A 30 16.000 3.088 5.320 1.00 0.00 N ATOM 0 H LYS A 30 16.811 4.314 -0.009 1.00 0.00 H new ATOM 0 HA LYS A 30 15.926 1.653 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.930 3.902 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.367 2.267 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.721 3.272 1.277 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.094 4.644 2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.150 1.917 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 30 18.634 2.843 3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.933 3.975 5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.746 4.757 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.692 3.672 6.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.197 2.931 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.347 2.173 5.671 1.00 0.00 H new ATOM 499 N ASN A 31 13.686 1.838 -1.026 1.00 0.00 N ATOM 500 CA ASN A 31 12.262 1.770 -1.442 1.00 0.00 C ATOM 501 C ASN A 31 11.663 0.483 -0.888 1.00 0.00 C ATOM 502 O ASN A 31 11.966 -0.601 -1.345 1.00 0.00 O ATOM 503 CB ASN A 31 12.152 1.761 -2.968 1.00 0.00 C ATOM 504 CG ASN A 31 12.594 3.114 -3.524 1.00 0.00 C ATOM 505 OD1 ASN A 31 13.733 3.506 -3.368 1.00 0.00 O ATOM 506 ND2 ASN A 31 11.734 3.850 -4.173 1.00 0.00 N ATOM 0 H ASN A 31 14.320 1.225 -1.539 1.00 0.00 H new ATOM 0 HA ASN A 31 11.728 2.640 -1.060 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.773 0.966 -3.382 1.00 0.00 H new ATOM 0 HB3 ASN A 31 11.125 1.552 -3.267 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.018 4.754 -4.549 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.777 3.521 -4.304 1.00 0.00 H new ATOM 513 N PHE A 32 10.818 0.591 0.091 1.00 0.00 N ATOM 514 CA PHE A 32 10.206 -0.630 0.671 1.00 0.00 C ATOM 515 C PHE A 32 8.945 -0.961 -0.122 1.00 0.00 C ATOM 516 O PHE A 32 8.097 -0.111 -0.334 1.00 0.00 O ATOM 517 CB PHE A 32 9.828 -0.369 2.134 1.00 0.00 C ATOM 518 CG PHE A 32 11.054 -0.463 3.017 1.00 0.00 C ATOM 519 CD1 PHE A 32 12.288 0.034 2.574 1.00 0.00 C ATOM 520 CD2 PHE A 32 10.952 -1.046 4.287 1.00 0.00 C ATOM 521 CE1 PHE A 32 13.415 -0.055 3.401 1.00 0.00 C ATOM 522 CE2 PHE A 32 12.080 -1.133 5.112 1.00 0.00 C ATOM 523 CZ PHE A 32 13.311 -0.636 4.670 1.00 0.00 C ATOM 0 H PHE A 32 10.524 1.471 0.515 1.00 0.00 H new ATOM 0 HA PHE A 32 10.912 -1.459 0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.377 0.619 2.230 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.081 -1.093 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.369 0.485 1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.002 -1.429 4.630 1.00 0.00 H new ATOM 0 HE1 PHE A 32 14.366 0.325 3.059 1.00 0.00 H new ATOM 0 HE2 PHE A 32 12.000 -1.584 6.090 1.00 0.00 H new ATOM 0 HZ PHE A 32 14.180 -0.701 5.308 1.00 0.00 H new ATOM 533 N ILE A 33 8.800 -2.181 -0.561 1.00 0.00 N ATOM 534 CA ILE A 33 7.578 -2.530 -1.325 1.00 0.00 C ATOM 535 C ILE A 33 6.530 -2.989 -0.326 1.00 0.00 C ATOM 536 O ILE A 33 6.511 -4.129 0.096 1.00 0.00 O ATOM 537 CB ILE A 33 7.849 -3.652 -2.332 1.00 0.00 C ATOM 538 CG1 ILE A 33 8.757 -3.146 -3.461 1.00 0.00 C ATOM 539 CG2 ILE A 33 6.524 -4.120 -2.936 1.00 0.00 C ATOM 540 CD1 ILE A 33 10.028 -2.522 -2.880 1.00 0.00 C ATOM 0 H ILE A 33 9.468 -2.940 -0.424 1.00 0.00 H new ATOM 0 HA ILE A 33 7.239 -1.659 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 33 8.341 -4.476 -1.816 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.019 -3.971 -4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.224 -2.410 -4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.713 -4.919 -3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.874 -4.490 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.040 -3.285 -3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.663 -2.167 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.760 -1.684 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.567 -3.269 -2.298 1.00 0.00 H new ATOM 552 N THR A 34 5.670 -2.105 0.074 1.00 0.00 N ATOM 553 CA THR A 34 4.641 -2.481 1.063 1.00 0.00 C ATOM 554 C THR A 34 3.451 -3.087 0.331 1.00 0.00 C ATOM 555 O THR A 34 2.923 -2.527 -0.612 1.00 0.00 O ATOM 556 CB THR A 34 4.204 -1.233 1.830 1.00 0.00 C ATOM 557 OG1 THR A 34 5.277 -0.784 2.646 1.00 0.00 O ATOM 558 CG2 THR A 34 2.993 -1.560 2.705 1.00 0.00 C ATOM 0 H THR A 34 5.637 -1.136 -0.243 1.00 0.00 H new ATOM 0 HA THR A 34 5.042 -3.211 1.766 1.00 0.00 H new ATOM 0 HB THR A 34 3.931 -0.450 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.047 -1.379 2.530 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.686 -0.667 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.171 -1.902 2.076 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.258 -2.344 3.414 1.00 0.00 H new ATOM 566 N ALA A 35 3.050 -4.253 0.753 1.00 0.00 N ATOM 567 CA ALA A 35 1.913 -4.945 0.095 1.00 0.00 C ATOM 568 C ALA A 35 0.605 -4.549 0.768 1.00 0.00 C ATOM 569 O ALA A 35 0.406 -4.791 1.938 1.00 0.00 O ATOM 570 CB ALA A 35 2.103 -6.448 0.244 1.00 0.00 C ATOM 0 H ALA A 35 3.467 -4.759 1.534 1.00 0.00 H new ATOM 0 HA ALA A 35 1.879 -4.665 -0.958 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.274 -6.969 -0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.040 -6.745 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.132 -6.708 1.302 1.00 0.00 H new ATOM 576 N CYS A 36 -0.308 -3.972 0.043 1.00 0.00 N ATOM 577 CA CYS A 36 -1.601 -3.606 0.670 1.00 0.00 C ATOM 578 C CYS A 36 -2.699 -4.392 -0.045 1.00 0.00 C ATOM 579 O CYS A 36 -2.887 -4.260 -1.234 1.00 0.00 O ATOM 580 CB CYS A 36 -1.855 -2.093 0.570 1.00 0.00 C ATOM 581 SG CYS A 36 -0.689 -1.298 -0.568 1.00 0.00 S ATOM 0 H CYS A 36 -0.216 -3.740 -0.946 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.588 -3.854 1.731 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -2.875 -1.916 0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.766 -1.642 1.558 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.594 -2.004 -1.655 1.00 0.00 H new ATOM 587 N ILE A 37 -3.400 -5.244 0.656 1.00 0.00 N ATOM 588 CA ILE A 37 -4.443 -6.066 -0.020 1.00 0.00 C ATOM 589 C ILE A 37 -5.691 -5.236 -0.280 1.00 0.00 C ATOM 590 O ILE A 37 -6.191 -4.557 0.606 1.00 0.00 O ATOM 591 CB ILE A 37 -4.792 -7.301 0.844 1.00 0.00 C ATOM 592 CG1 ILE A 37 -5.067 -8.500 -0.069 1.00 0.00 C ATOM 593 CG2 ILE A 37 -6.039 -7.067 1.725 1.00 0.00 C ATOM 594 CD1 ILE A 37 -6.483 -8.405 -0.638 1.00 0.00 C ATOM 0 H ILE A 37 -3.296 -5.405 1.658 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.049 -6.406 -0.978 1.00 0.00 H new ATOM 0 HB ILE A 37 -3.940 -7.488 1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.340 -8.525 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.952 -9.428 0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.243 -7.962 2.312 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.858 -6.227 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.897 -6.847 1.090 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.673 -9.260 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.204 -8.402 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -6.583 -7.484 -1.213 1.00 0.00 H new ATOM 606 N VAL A 38 -6.188 -5.329 -1.492 1.00 0.00 N ATOM 607 CA VAL A 38 -7.422 -4.608 -1.899 1.00 0.00 C ATOM 608 C VAL A 38 -8.424 -5.642 -2.460 1.00 0.00 C ATOM 609 O VAL A 38 -8.245 -6.176 -3.541 1.00 0.00 O ATOM 610 CB VAL A 38 -7.056 -3.544 -2.957 1.00 0.00 C ATOM 611 CG1 VAL A 38 -7.820 -3.765 -4.270 1.00 0.00 C ATOM 612 CG2 VAL A 38 -7.394 -2.158 -2.404 1.00 0.00 C ATOM 0 H VAL A 38 -5.771 -5.894 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.881 -4.099 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.990 -3.625 -3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.536 -2.997 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.575 -4.748 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.892 -3.707 -4.081 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.139 -1.399 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.460 -2.105 -2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.824 -1.981 -1.492 1.00 0.00 H new ATOM 622 N GLY A 39 -9.466 -5.909 -1.713 1.00 0.00 N ATOM 623 CA GLY A 39 -10.528 -6.891 -2.126 1.00 0.00 C ATOM 624 C GLY A 39 -10.056 -7.845 -3.230 1.00 0.00 C ATOM 625 O GLY A 39 -9.311 -8.774 -2.989 1.00 0.00 O ATOM 0 H GLY A 39 -9.633 -5.475 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.837 -7.472 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.406 -6.346 -2.473 1.00 0.00 H new ATOM 629 N SER A 40 -10.534 -7.618 -4.430 1.00 0.00 N ATOM 630 CA SER A 40 -10.193 -8.486 -5.603 1.00 0.00 C ATOM 631 C SER A 40 -8.863 -9.219 -5.414 1.00 0.00 C ATOM 632 O SER A 40 -8.798 -10.429 -5.505 1.00 0.00 O ATOM 633 CB SER A 40 -10.104 -7.614 -6.856 1.00 0.00 C ATOM 634 OG SER A 40 -11.405 -7.169 -7.214 1.00 0.00 O ATOM 0 H SER A 40 -11.163 -6.846 -4.651 1.00 0.00 H new ATOM 0 HA SER A 40 -10.977 -9.237 -5.700 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.453 -6.759 -6.672 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.663 -8.180 -7.676 1.00 0.00 H new ATOM 0 HG SER A 40 -11.350 -6.608 -8.016 1.00 0.00 H new ATOM 640 N ILE A 41 -7.799 -8.507 -5.171 1.00 0.00 N ATOM 641 CA ILE A 41 -6.482 -9.183 -5.002 1.00 0.00 C ATOM 642 C ILE A 41 -5.564 -8.287 -4.182 1.00 0.00 C ATOM 643 O ILE A 41 -6.013 -7.384 -3.508 1.00 0.00 O ATOM 644 CB ILE A 41 -5.831 -9.442 -6.371 1.00 0.00 C ATOM 645 CG1 ILE A 41 -6.649 -8.802 -7.503 1.00 0.00 C ATOM 646 CG2 ILE A 41 -5.737 -10.949 -6.612 1.00 0.00 C ATOM 647 CD1 ILE A 41 -6.506 -7.279 -7.449 1.00 0.00 C ATOM 0 H ILE A 41 -7.783 -7.491 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.637 -10.135 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.836 -8.996 -6.366 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.305 -9.175 -8.468 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.698 -9.081 -7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.276 -11.134 -7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.131 -11.406 -5.829 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.737 -11.383 -6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.088 -6.830 -8.254 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.871 -6.913 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.457 -7.008 -7.565 1.00 0.00 H new ATOM 659 N VAL A 42 -4.280 -8.517 -4.234 1.00 0.00 N ATOM 660 CA VAL A 42 -3.356 -7.654 -3.452 1.00 0.00 C ATOM 661 C VAL A 42 -2.934 -6.462 -4.301 1.00 0.00 C ATOM 662 O VAL A 42 -3.080 -6.449 -5.508 1.00 0.00 O ATOM 663 CB VAL A 42 -2.095 -8.419 -3.027 1.00 0.00 C ATOM 664 CG1 VAL A 42 -1.853 -8.206 -1.533 1.00 0.00 C ATOM 665 CG2 VAL A 42 -2.257 -9.917 -3.307 1.00 0.00 C ATOM 0 H VAL A 42 -3.837 -9.257 -4.778 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.885 -7.325 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.246 -8.044 -3.599 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.958 -8.748 -1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.718 -7.143 -1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.710 -8.575 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.354 -10.444 -3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.110 -10.302 -2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.423 -10.072 -4.373 1.00 0.00 H new ATOM 675 N THR A 43 -2.401 -5.472 -3.665 1.00 0.00 N ATOM 676 CA THR A 43 -1.937 -4.260 -4.382 1.00 0.00 C ATOM 677 C THR A 43 -0.776 -3.676 -3.584 1.00 0.00 C ATOM 678 O THR A 43 -0.970 -2.895 -2.683 1.00 0.00 O ATOM 679 CB THR A 43 -3.083 -3.241 -4.465 1.00 0.00 C ATOM 680 OG1 THR A 43 -4.129 -3.772 -5.266 1.00 0.00 O ATOM 681 CG2 THR A 43 -2.581 -1.931 -5.082 1.00 0.00 C ATOM 0 H THR A 43 -2.262 -5.448 -2.655 1.00 0.00 H new ATOM 0 HA THR A 43 -1.620 -4.504 -5.396 1.00 0.00 H new ATOM 0 HB THR A 43 -3.455 -3.040 -3.460 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.862 -3.124 -5.319 1.00 0.00 H new ATOM 0 HG21 THR A 43 -3.402 -1.216 -5.136 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.782 -1.520 -4.464 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.201 -2.123 -6.085 1.00 0.00 H new ATOM 689 N GLU A 44 0.429 -4.075 -3.876 1.00 0.00 N ATOM 690 CA GLU A 44 1.581 -3.546 -3.094 1.00 0.00 C ATOM 691 C GLU A 44 2.063 -2.234 -3.703 1.00 0.00 C ATOM 692 O GLU A 44 1.427 -1.665 -4.567 1.00 0.00 O ATOM 693 CB GLU A 44 2.727 -4.555 -3.103 1.00 0.00 C ATOM 694 CG GLU A 44 3.316 -4.647 -4.513 1.00 0.00 C ATOM 695 CD GLU A 44 3.861 -6.058 -4.746 1.00 0.00 C ATOM 696 OE1 GLU A 44 4.181 -6.716 -3.771 1.00 0.00 O ATOM 697 OE2 GLU A 44 3.948 -6.455 -5.897 1.00 0.00 O ATOM 0 H GLU A 44 0.666 -4.738 -4.614 1.00 0.00 H new ATOM 0 HA GLU A 44 1.257 -3.374 -2.067 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.498 -4.252 -2.395 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.367 -5.533 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.552 -4.414 -5.254 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.113 -3.913 -4.635 1.00 0.00 H new ATOM 704 N GLY A 45 3.187 -1.751 -3.255 1.00 0.00 N ATOM 705 CA GLY A 45 3.721 -0.469 -3.802 1.00 0.00 C ATOM 706 C GLY A 45 5.114 -0.247 -3.230 1.00 0.00 C ATOM 707 O GLY A 45 5.438 -0.771 -2.198 1.00 0.00 O ATOM 0 H GLY A 45 3.761 -2.187 -2.533 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.760 -0.508 -4.891 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.065 0.360 -3.536 1.00 0.00 H new ATOM 711 N GLU A 46 5.947 0.507 -3.885 1.00 0.00 N ATOM 712 CA GLU A 46 7.321 0.713 -3.341 1.00 0.00 C ATOM 713 C GLU A 46 7.499 2.154 -2.858 1.00 0.00 C ATOM 714 O GLU A 46 7.775 3.049 -3.631 1.00 0.00 O ATOM 715 CB GLU A 46 8.362 0.403 -4.421 1.00 0.00 C ATOM 716 CG GLU A 46 7.729 0.512 -5.811 1.00 0.00 C ATOM 717 CD GLU A 46 8.802 0.296 -6.880 1.00 0.00 C ATOM 718 OE1 GLU A 46 9.822 0.961 -6.811 1.00 0.00 O ATOM 719 OE2 GLU A 46 8.587 -0.532 -7.750 1.00 0.00 O ATOM 0 H GLU A 46 5.743 0.986 -4.762 1.00 0.00 H new ATOM 0 HA GLU A 46 7.461 0.039 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.199 1.096 -4.339 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.763 -0.600 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.937 -0.229 -5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.268 1.492 -5.936 1.00 0.00 H new ATOM 726 N GLY A 47 7.357 2.380 -1.578 1.00 0.00 N ATOM 727 CA GLY A 47 7.532 3.763 -1.043 1.00 0.00 C ATOM 728 C GLY A 47 8.915 3.901 -0.394 1.00 0.00 C ATOM 729 O GLY A 47 9.319 3.076 0.397 1.00 0.00 O ATOM 0 H GLY A 47 7.128 1.670 -0.882 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.424 4.490 -1.848 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.754 3.980 -0.311 1.00 0.00 H new ATOM 733 N ASN A 48 9.638 4.945 -0.719 1.00 0.00 N ATOM 734 CA ASN A 48 10.996 5.147 -0.119 1.00 0.00 C ATOM 735 C ASN A 48 10.925 4.993 1.406 1.00 0.00 C ATOM 736 O ASN A 48 10.721 5.945 2.131 1.00 0.00 O ATOM 737 CB ASN A 48 11.504 6.548 -0.466 1.00 0.00 C ATOM 738 CG ASN A 48 12.875 6.442 -1.137 1.00 0.00 C ATOM 739 OD1 ASN A 48 12.995 5.901 -2.218 1.00 0.00 O ATOM 740 ND2 ASN A 48 13.921 6.939 -0.536 1.00 0.00 N ATOM 0 H ASN A 48 9.346 5.669 -1.376 1.00 0.00 H new ATOM 0 HA ASN A 48 11.678 4.399 -0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.799 7.047 -1.131 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.575 7.155 0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.840 6.873 -0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 48 13.820 7.393 0.372 1.00 0.00 H new ATOM 747 N GLY A 49 11.090 3.786 1.873 1.00 0.00 N ATOM 748 CA GLY A 49 11.041 3.481 3.338 1.00 0.00 C ATOM 749 C GLY A 49 11.524 4.666 4.178 1.00 0.00 C ATOM 750 O GLY A 49 12.273 5.503 3.716 1.00 0.00 O ATOM 0 H GLY A 49 11.262 2.971 1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.021 3.225 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.659 2.609 3.549 1.00 0.00 H new ATOM 754 N LYS A 50 11.077 4.716 5.414 1.00 0.00 N ATOM 755 CA LYS A 50 11.448 5.819 6.360 1.00 0.00 C ATOM 756 C LYS A 50 10.248 6.754 6.494 1.00 0.00 C ATOM 757 O LYS A 50 10.319 7.926 6.177 1.00 0.00 O ATOM 758 CB LYS A 50 12.664 6.606 5.856 1.00 0.00 C ATOM 759 CG LYS A 50 13.274 7.402 7.010 1.00 0.00 C ATOM 760 CD LYS A 50 14.642 6.816 7.365 1.00 0.00 C ATOM 761 CE LYS A 50 15.086 7.341 8.732 1.00 0.00 C ATOM 762 NZ LYS A 50 15.242 6.199 9.677 1.00 0.00 N ATOM 0 H LYS A 50 10.452 4.017 5.816 1.00 0.00 H new ATOM 0 HA LYS A 50 11.714 5.387 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.405 5.923 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.366 7.280 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.377 8.450 6.729 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.615 7.368 7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 50 14.589 5.727 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 50 15.374 7.088 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.029 7.880 8.638 1.00 0.00 H new ATOM 0 HE3 LYS A 50 14.352 8.048 9.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.544 6.556 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.333 5.703 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.958 5.540 9.310 1.00 0.00 H new ATOM 776 N LYS A 51 9.140 6.233 6.951 1.00 0.00 N ATOM 777 CA LYS A 51 7.915 7.069 7.098 1.00 0.00 C ATOM 778 C LYS A 51 7.260 7.234 5.726 1.00 0.00 C ATOM 779 O LYS A 51 6.491 8.147 5.497 1.00 0.00 O ATOM 780 CB LYS A 51 8.291 8.443 7.659 1.00 0.00 C ATOM 781 CG LYS A 51 7.148 8.968 8.531 1.00 0.00 C ATOM 782 CD LYS A 51 7.631 9.113 9.976 1.00 0.00 C ATOM 783 CE LYS A 51 7.453 10.562 10.430 1.00 0.00 C ATOM 784 NZ LYS A 51 6.363 10.635 11.444 1.00 0.00 N ATOM 0 H LYS A 51 9.032 5.258 7.230 1.00 0.00 H new ATOM 0 HA LYS A 51 7.219 6.585 7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.207 8.370 8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.490 9.139 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.802 9.930 8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.300 8.285 8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.068 8.445 10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.679 8.823 10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.384 10.938 10.854 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.213 11.195 9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.242 11.621 11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.475 10.292 11.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.610 10.043 12.263 1.00 0.00 H new ATOM 798 N VAL A 52 7.572 6.362 4.805 1.00 0.00 N ATOM 799 CA VAL A 52 6.982 6.474 3.440 1.00 0.00 C ATOM 800 C VAL A 52 6.483 5.100 2.960 1.00 0.00 C ATOM 801 O VAL A 52 5.726 5.008 2.021 1.00 0.00 O ATOM 802 CB VAL A 52 8.062 7.019 2.487 1.00 0.00 C ATOM 803 CG1 VAL A 52 8.335 6.053 1.323 1.00 0.00 C ATOM 804 CG2 VAL A 52 7.608 8.368 1.926 1.00 0.00 C ATOM 0 H VAL A 52 8.210 5.577 4.939 1.00 0.00 H new ATOM 0 HA VAL A 52 6.129 7.152 3.457 1.00 0.00 H new ATOM 0 HB VAL A 52 8.985 7.132 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.103 6.474 0.673 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.677 5.096 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.419 5.903 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.371 8.757 1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.673 8.239 1.381 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.457 9.071 2.746 1.00 0.00 H new ATOM 814 N SER A 53 6.923 4.038 3.570 1.00 0.00 N ATOM 815 CA SER A 53 6.480 2.691 3.111 1.00 0.00 C ATOM 816 C SER A 53 4.957 2.561 3.241 1.00 0.00 C ATOM 817 O SER A 53 4.228 2.921 2.345 1.00 0.00 O ATOM 818 CB SER A 53 7.168 1.609 3.942 1.00 0.00 C ATOM 819 OG SER A 53 8.577 1.736 3.801 1.00 0.00 O ATOM 0 H SER A 53 7.566 4.041 4.362 1.00 0.00 H new ATOM 0 HA SER A 53 6.754 2.567 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.885 1.704 4.990 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.845 0.621 3.613 1.00 0.00 H new ATOM 0 HG SER A 53 9.023 1.045 4.334 1.00 0.00 H new ATOM 825 N LYS A 54 4.480 2.036 4.344 1.00 0.00 N ATOM 826 CA LYS A 54 3.004 1.856 4.542 1.00 0.00 C ATOM 827 C LYS A 54 2.205 2.959 3.835 1.00 0.00 C ATOM 828 O LYS A 54 1.412 2.688 2.956 1.00 0.00 O ATOM 829 CB LYS A 54 2.683 1.876 6.041 1.00 0.00 C ATOM 830 CG LYS A 54 3.467 2.996 6.730 1.00 0.00 C ATOM 831 CD LYS A 54 3.754 2.599 8.179 1.00 0.00 C ATOM 832 CE LYS A 54 2.556 2.967 9.057 1.00 0.00 C ATOM 833 NZ LYS A 54 2.933 4.084 9.968 1.00 0.00 N ATOM 0 H LYS A 54 5.056 1.721 5.125 1.00 0.00 H new ATOM 0 HA LYS A 54 2.718 0.897 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.614 2.025 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.937 0.915 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.402 3.180 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.897 3.924 6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.949 1.528 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.650 3.108 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.711 3.261 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.238 2.101 9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.119 4.335 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.727 3.787 10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.217 4.911 9.405 1.00 0.00 H new ATOM 847 N LYS A 55 2.397 4.192 4.209 1.00 0.00 N ATOM 848 CA LYS A 55 1.633 5.296 3.554 1.00 0.00 C ATOM 849 C LYS A 55 1.723 5.157 2.030 1.00 0.00 C ATOM 850 O LYS A 55 0.728 5.189 1.326 1.00 0.00 O ATOM 851 CB LYS A 55 2.228 6.640 3.978 1.00 0.00 C ATOM 852 CG LYS A 55 2.406 6.663 5.497 1.00 0.00 C ATOM 853 CD LYS A 55 1.904 7.997 6.053 1.00 0.00 C ATOM 854 CE LYS A 55 1.344 7.784 7.460 1.00 0.00 C ATOM 855 NZ LYS A 55 1.913 8.808 8.382 1.00 0.00 N ATOM 0 H LYS A 55 3.047 4.486 4.938 1.00 0.00 H new ATOM 0 HA LYS A 55 0.587 5.243 3.858 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.188 6.796 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.574 7.454 3.665 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.856 5.839 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.456 6.523 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.718 8.722 6.080 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.133 8.408 5.401 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.257 7.857 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.591 6.783 7.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.532 8.663 9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.949 8.718 8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.655 9.758 8.047 1.00 0.00 H new ATOM 869 N ARG A 56 2.912 5.013 1.520 1.00 0.00 N ATOM 870 CA ARG A 56 3.089 4.880 0.047 1.00 0.00 C ATOM 871 C ARG A 56 2.243 3.718 -0.473 1.00 0.00 C ATOM 872 O ARG A 56 1.412 3.895 -1.333 1.00 0.00 O ATOM 873 CB ARG A 56 4.560 4.622 -0.273 1.00 0.00 C ATOM 874 CG ARG A 56 4.729 4.438 -1.783 1.00 0.00 C ATOM 875 CD ARG A 56 5.324 5.711 -2.389 1.00 0.00 C ATOM 876 NE ARG A 56 5.589 5.492 -3.839 1.00 0.00 N ATOM 877 CZ ARG A 56 5.808 6.512 -4.623 1.00 0.00 C ATOM 878 NH1 ARG A 56 6.220 7.644 -4.123 1.00 0.00 N ATOM 879 NH2 ARG A 56 5.613 6.398 -5.909 1.00 0.00 N ATOM 0 H ARG A 56 3.775 4.981 2.063 1.00 0.00 H new ATOM 0 HA ARG A 56 2.769 5.803 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.170 5.456 0.073 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.907 3.733 0.254 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.380 3.587 -1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.766 4.219 -2.243 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.636 6.546 -2.256 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.248 5.974 -1.875 1.00 0.00 H new ATOM 0 HE ARG A 56 5.599 4.545 -4.219 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.371 7.733 -3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.391 8.441 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.290 5.513 -6.299 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.784 7.194 -6.523 1.00 0.00 H new ATOM 893 N ALA A 57 2.448 2.533 0.038 1.00 0.00 N ATOM 894 CA ALA A 57 1.646 1.370 -0.436 1.00 0.00 C ATOM 895 C ALA A 57 0.175 1.794 -0.530 1.00 0.00 C ATOM 896 O ALA A 57 -0.512 1.545 -1.514 1.00 0.00 O ATOM 897 CB ALA A 57 1.778 0.214 0.565 1.00 0.00 C ATOM 0 H ALA A 57 3.135 2.321 0.762 1.00 0.00 H new ATOM 0 HA ALA A 57 2.006 1.044 -1.412 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.191 -0.637 0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.825 -0.077 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.412 0.534 1.540 1.00 0.00 H new ATOM 903 N ALA A 58 -0.311 2.438 0.497 1.00 0.00 N ATOM 904 CA ALA A 58 -1.727 2.890 0.500 1.00 0.00 C ATOM 905 C ALA A 58 -1.982 3.725 -0.748 1.00 0.00 C ATOM 906 O ALA A 58 -2.743 3.340 -1.611 1.00 0.00 O ATOM 907 CB ALA A 58 -1.995 3.731 1.750 1.00 0.00 C ATOM 0 H ALA A 58 0.218 2.670 1.338 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.391 2.026 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.034 4.061 1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.805 3.131 2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.338 4.600 1.751 1.00 0.00 H new ATOM 913 N GLU A 59 -1.343 4.855 -0.872 1.00 0.00 N ATOM 914 CA GLU A 59 -1.565 5.674 -2.095 1.00 0.00 C ATOM 915 C GLU A 59 -1.422 4.764 -3.310 1.00 0.00 C ATOM 916 O GLU A 59 -1.951 5.033 -4.366 1.00 0.00 O ATOM 917 CB GLU A 59 -0.528 6.793 -2.184 1.00 0.00 C ATOM 918 CG GLU A 59 -0.944 7.953 -1.277 1.00 0.00 C ATOM 919 CD GLU A 59 0.058 9.100 -1.423 1.00 0.00 C ATOM 920 OE1 GLU A 59 0.917 9.006 -2.284 1.00 0.00 O ATOM 921 OE2 GLU A 59 -0.050 10.054 -0.669 1.00 0.00 O ATOM 0 H GLU A 59 -0.688 5.241 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.558 6.121 -2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.452 6.419 -1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.438 7.138 -3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.945 8.294 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.984 7.621 -0.240 1.00 0.00 H new ATOM 928 N LYS A 60 -0.706 3.684 -3.163 1.00 0.00 N ATOM 929 CA LYS A 60 -0.520 2.749 -4.300 1.00 0.00 C ATOM 930 C LYS A 60 -1.868 2.147 -4.681 1.00 0.00 C ATOM 931 O LYS A 60 -2.276 2.208 -5.823 1.00 0.00 O ATOM 932 CB LYS A 60 0.446 1.635 -3.896 1.00 0.00 C ATOM 933 CG LYS A 60 1.419 1.360 -5.044 1.00 0.00 C ATOM 934 CD LYS A 60 2.578 2.358 -4.985 1.00 0.00 C ATOM 935 CE LYS A 60 2.193 3.640 -5.729 1.00 0.00 C ATOM 936 NZ LYS A 60 1.553 3.291 -7.028 1.00 0.00 N ATOM 0 H LYS A 60 -0.240 3.410 -2.298 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.107 3.288 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.996 1.924 -3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.109 0.729 -3.651 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.800 0.341 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.902 1.444 -6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.821 2.587 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.471 1.920 -5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.508 4.233 -5.122 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.078 4.252 -5.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.732 4.048 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.952 2.398 -7.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.528 3.182 -6.892 1.00 0.00 H new ATOM 950 N MET A 61 -2.570 1.563 -3.746 1.00 0.00 N ATOM 951 CA MET A 61 -3.889 0.970 -4.114 1.00 0.00 C ATOM 952 C MET A 61 -4.945 2.070 -4.244 1.00 0.00 C ATOM 953 O MET A 61 -5.628 2.153 -5.239 1.00 0.00 O ATOM 954 CB MET A 61 -4.348 -0.064 -3.087 1.00 0.00 C ATOM 955 CG MET A 61 -4.037 0.392 -1.662 1.00 0.00 C ATOM 956 SD MET A 61 -4.855 -0.739 -0.511 1.00 0.00 S ATOM 957 CE MET A 61 -4.484 -2.264 -1.414 1.00 0.00 C ATOM 0 H MET A 61 -2.297 1.472 -2.768 1.00 0.00 H new ATOM 0 HA MET A 61 -3.767 0.465 -5.072 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.420 -0.232 -3.191 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.855 -1.017 -3.282 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.961 0.395 -1.491 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.387 1.412 -1.505 1.00 0.00 H new ATOM 0 HE1 MET A 61 -4.791 -3.124 -0.818 1.00 0.00 H new ATOM 0 HE2 MET A 61 -5.024 -2.267 -2.361 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.413 -2.321 -1.607 1.00 0.00 H new ATOM 967 N LEU A 62 -5.092 2.925 -3.269 1.00 0.00 N ATOM 968 CA LEU A 62 -6.112 4.003 -3.398 1.00 0.00 C ATOM 969 C LEU A 62 -5.958 4.625 -4.782 1.00 0.00 C ATOM 970 O LEU A 62 -6.911 4.781 -5.524 1.00 0.00 O ATOM 971 CB LEU A 62 -5.890 5.066 -2.315 1.00 0.00 C ATOM 972 CG LEU A 62 -6.069 4.472 -0.901 1.00 0.00 C ATOM 973 CD1 LEU A 62 -6.985 5.389 -0.087 1.00 0.00 C ATOM 974 CD2 LEU A 62 -6.697 3.068 -0.951 1.00 0.00 C ATOM 0 H LEU A 62 -4.558 2.925 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.116 3.596 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.888 5.484 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.593 5.887 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.084 4.393 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.117 4.977 0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.537 6.380 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.955 5.464 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.807 2.682 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.676 3.124 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.053 2.402 -1.525 1.00 0.00 H new ATOM 986 N VAL A 63 -4.749 4.941 -5.151 1.00 0.00 N ATOM 987 CA VAL A 63 -4.510 5.509 -6.499 1.00 0.00 C ATOM 988 C VAL A 63 -4.860 4.436 -7.532 1.00 0.00 C ATOM 989 O VAL A 63 -5.436 4.714 -8.566 1.00 0.00 O ATOM 990 CB VAL A 63 -3.039 5.901 -6.628 1.00 0.00 C ATOM 991 CG1 VAL A 63 -2.742 6.310 -8.064 1.00 0.00 C ATOM 992 CG2 VAL A 63 -2.741 7.076 -5.693 1.00 0.00 C ATOM 0 H VAL A 63 -3.916 4.829 -4.573 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.123 6.396 -6.659 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.414 5.050 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.692 6.589 -8.153 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.953 5.474 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -3.368 7.160 -8.337 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.692 7.357 -5.784 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.368 7.925 -5.964 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.950 6.784 -4.664 1.00 0.00 H new ATOM 1002 N GLU A 64 -4.532 3.200 -7.245 1.00 0.00 N ATOM 1003 CA GLU A 64 -4.863 2.099 -8.193 1.00 0.00 C ATOM 1004 C GLU A 64 -6.349 2.194 -8.551 1.00 0.00 C ATOM 1005 O GLU A 64 -6.709 2.512 -9.666 1.00 0.00 O ATOM 1006 CB GLU A 64 -4.574 0.739 -7.545 1.00 0.00 C ATOM 1007 CG GLU A 64 -3.070 0.459 -7.588 1.00 0.00 C ATOM 1008 CD GLU A 64 -2.809 -0.795 -8.424 1.00 0.00 C ATOM 1009 OE1 GLU A 64 -3.311 -0.858 -9.534 1.00 0.00 O ATOM 1010 OE2 GLU A 64 -2.111 -1.671 -7.939 1.00 0.00 O ATOM 0 H GLU A 64 -4.050 2.909 -6.395 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.253 2.192 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.926 0.734 -6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.116 -0.048 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.543 1.311 -8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.686 0.322 -6.577 1.00 0.00 H new ATOM 1017 N LEU A 65 -7.218 1.922 -7.609 1.00 0.00 N ATOM 1018 CA LEU A 65 -8.678 2.003 -7.900 1.00 0.00 C ATOM 1019 C LEU A 65 -8.989 3.327 -8.601 1.00 0.00 C ATOM 1020 O LEU A 65 -9.732 3.367 -9.562 1.00 0.00 O ATOM 1021 CB LEU A 65 -9.503 1.918 -6.609 1.00 0.00 C ATOM 1022 CG LEU A 65 -8.676 2.388 -5.415 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -9.539 3.260 -4.502 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -8.188 1.168 -4.641 1.00 0.00 C ATOM 0 H LEU A 65 -6.979 1.649 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.943 1.163 -8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.399 2.531 -6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.834 0.892 -6.449 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.824 2.971 -5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.946 3.594 -3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.896 4.127 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.391 2.682 -4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.596 1.493 -3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.045 0.592 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.574 0.546 -5.292 1.00 0.00 H new ATOM 1036 N GLN A 66 -8.437 4.419 -8.129 1.00 0.00 N ATOM 1037 CA GLN A 66 -8.726 5.729 -8.784 1.00 0.00 C ATOM 1038 C GLN A 66 -8.619 5.575 -10.303 1.00 0.00 C ATOM 1039 O GLN A 66 -9.589 5.716 -11.020 1.00 0.00 O ATOM 1040 CB GLN A 66 -7.720 6.793 -8.316 1.00 0.00 C ATOM 1041 CG GLN A 66 -7.966 7.204 -6.848 1.00 0.00 C ATOM 1042 CD GLN A 66 -9.357 6.849 -6.385 1.00 0.00 C ATOM 1043 OE1 GLN A 66 -10.345 7.262 -6.960 1.00 0.00 O ATOM 1044 NE2 GLN A 66 -9.462 6.094 -5.345 1.00 0.00 N ATOM 0 H GLN A 66 -7.807 4.459 -7.328 1.00 0.00 H new ATOM 0 HA GLN A 66 -9.733 6.043 -8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.706 6.407 -8.421 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.794 7.671 -8.957 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -7.234 6.712 -6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.812 8.278 -6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.623 5.756 -4.874 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.384 5.835 -4.994 1.00 0.00 H new ATOM 1053 N LYS A 67 -7.447 5.290 -10.799 1.00 0.00 N ATOM 1054 CA LYS A 67 -7.278 5.134 -12.270 1.00 0.00 C ATOM 1055 C LYS A 67 -8.404 4.260 -12.827 1.00 0.00 C ATOM 1056 O LYS A 67 -9.084 4.629 -13.764 1.00 0.00 O ATOM 1057 CB LYS A 67 -5.926 4.482 -12.564 1.00 0.00 C ATOM 1058 CG LYS A 67 -4.954 5.541 -13.086 1.00 0.00 C ATOM 1059 CD LYS A 67 -4.275 6.239 -11.905 1.00 0.00 C ATOM 1060 CE LYS A 67 -3.350 7.342 -12.425 1.00 0.00 C ATOM 1061 NZ LYS A 67 -2.255 7.577 -11.441 1.00 0.00 N ATOM 0 H LYS A 67 -6.599 5.158 -10.248 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.316 6.115 -12.744 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.528 4.021 -11.660 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.045 3.688 -13.301 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.205 5.077 -13.727 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.488 6.271 -13.695 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.026 6.664 -11.239 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.704 5.517 -11.321 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.931 7.055 -13.390 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.915 8.261 -12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.626 8.326 -11.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.664 7.868 -10.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.710 6.700 -11.312 1.00 0.00 H new ATOM 1075 N LEU A 68 -8.604 3.105 -12.261 1.00 0.00 N ATOM 1076 CA LEU A 68 -9.680 2.209 -12.754 1.00 0.00 C ATOM 1077 C LEU A 68 -11.015 2.618 -12.127 1.00 0.00 C ATOM 1078 O LEU A 68 -11.222 3.807 -11.942 1.00 0.00 O ATOM 1079 CB LEU A 68 -9.349 0.771 -12.363 1.00 0.00 C ATOM 1080 CG LEU A 68 -7.844 0.540 -12.498 1.00 0.00 C ATOM 1081 CD1 LEU A 68 -7.543 -0.956 -12.382 1.00 0.00 C ATOM 1082 CD2 LEU A 68 -7.372 1.049 -13.863 1.00 0.00 C ATOM 1083 OXT LEU A 68 -11.809 1.735 -11.844 1.00 0.00 O ATOM 0 H LEU A 68 -8.065 2.742 -11.474 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.755 2.286 -13.839 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.667 0.579 -11.338 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.893 0.075 -13.001 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.322 1.078 -11.706 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.470 -1.120 -12.478 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.880 -1.321 -11.412 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.065 -1.495 -13.173 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.299 0.885 -13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.895 0.510 -14.653 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.586 2.115 -13.948 1.00 0.00 H new TER 1095 LEU A 68