USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 799 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 37 SER OG : rot -125:sc= 0.741 USER MOD Set 1.2: A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -117:sc= -0.192 (180deg=-0.953) USER MOD Single : A 11 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.72) USER MOD Single : A 13 TYR OH : rot 161:sc= 0.0963 USER MOD Single : A 14 MET CE :methyl -165:sc= -2.34 (180deg=-3.47) USER MOD Single : A 15 MET CE :methyl -150:sc= -0.636 (180deg=-3.2!) USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= -0.405! (180deg=-3.2!) USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= 1.53 (180deg=0.464) USER MOD Single : A 25 THR OG1 : rot 31:sc= 0.265 USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= -0.143 (180deg=-0.144) USER MOD Single : A 34 ASN : amide:sc= -1.33 K(o=-1.3,f=-3.5!) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.794 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= -2.18! (180deg=-3.32!) USER MOD Single : A 56 ASN : amide:sc= -4.62! C(o=-4.6!,f=-6!) USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= 0.103 (180deg=-1.71!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 160:sc= -1.43 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -160:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 124:sc= -0.148 (180deg=-0.751) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot -91:sc= 0.835 USER MOD Single : A 101 THR OG1 : rot 64:sc= 1.23 USER MOD Single : A 103 HIS : no HD1:sc= -2.72! K(o=-2.7!,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -12.117 8.680 -2.391 1.00 0.00 N ATOM 67 CA VAL A 8 -10.851 8.372 -1.737 1.00 0.00 C ATOM 68 C VAL A 8 -10.917 8.672 -0.243 1.00 0.00 C ATOM 69 O VAL A 8 -11.595 9.607 0.184 1.00 0.00 O ATOM 70 CB VAL A 8 -9.690 9.171 -2.359 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.986 10.662 -2.319 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.385 8.858 -1.641 1.00 0.00 C ATOM 0 HA VAL A 8 -10.669 7.307 -1.883 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.585 8.874 -3.403 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.155 11.210 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.897 10.867 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.119 10.979 -1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.575 9.431 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.476 9.126 -0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.169 7.793 -1.727 1.00 0.00 H new ATOM 82 N LEU A 9 -10.208 7.873 0.546 1.00 0.00 N ATOM 83 CA LEU A 9 -10.185 8.052 1.994 1.00 0.00 C ATOM 84 C LEU A 9 -9.019 8.942 2.414 1.00 0.00 C ATOM 85 O LEU A 9 -9.193 9.892 3.177 1.00 0.00 O ATOM 86 CB LEU A 9 -10.084 6.696 2.694 1.00 0.00 C ATOM 87 CG LEU A 9 -11.084 5.631 2.242 1.00 0.00 C ATOM 88 CD1 LEU A 9 -10.760 4.289 2.879 1.00 0.00 C ATOM 89 CD2 LEU A 9 -12.505 6.056 2.583 1.00 0.00 C ATOM 0 H LEU A 9 -9.641 7.095 0.208 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.115 8.538 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.077 6.307 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.210 6.852 3.765 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.007 5.524 1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.482 3.544 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.757 3.979 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.808 4.380 3.964 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.204 5.287 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -12.595 6.192 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.735 6.994 2.078 1.00 0.00 H new ATOM 101 N LYS A 10 -7.831 8.628 1.909 1.00 0.00 N ATOM 102 CA LYS A 10 -6.636 9.400 2.228 1.00 0.00 C ATOM 103 C LYS A 10 -5.901 9.817 0.957 1.00 0.00 C ATOM 104 O LYS A 10 -6.025 9.168 -0.081 1.00 0.00 O ATOM 105 CB LYS A 10 -5.701 8.586 3.125 1.00 0.00 C ATOM 106 CG LYS A 10 -4.879 9.436 4.078 1.00 0.00 C ATOM 107 CD LYS A 10 -3.816 8.612 4.785 1.00 0.00 C ATOM 108 CE LYS A 10 -3.507 9.168 6.167 1.00 0.00 C ATOM 109 NZ LYS A 10 -4.701 9.139 7.056 1.00 0.00 N ATOM 0 H LYS A 10 -7.670 7.844 1.277 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.948 10.299 2.759 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.293 7.876 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.027 8.003 2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.404 10.247 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.536 9.895 4.817 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.154 7.580 4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.906 8.599 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.703 8.588 6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.148 10.193 6.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.961 10.111 7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.496 8.692 6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.482 8.594 7.914 1.00 0.00 H new ATOM 123 N GLN A 11 -5.138 10.900 1.048 1.00 0.00 N ATOM 124 CA GLN A 11 -4.384 11.401 -0.095 1.00 0.00 C ATOM 125 C GLN A 11 -3.223 12.280 0.362 1.00 0.00 C ATOM 126 O GLN A 11 -3.377 13.117 1.251 1.00 0.00 O ATOM 127 CB GLN A 11 -5.300 12.191 -1.030 1.00 0.00 C ATOM 128 CG GLN A 11 -5.932 13.410 -0.378 1.00 0.00 C ATOM 129 CD GLN A 11 -6.434 14.420 -1.390 1.00 0.00 C ATOM 130 OE1 GLN A 11 -5.956 15.554 -1.443 1.00 0.00 O ATOM 131 NE2 GLN A 11 -7.402 14.013 -2.202 1.00 0.00 N ATOM 0 H GLN A 11 -5.025 11.448 1.901 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.978 10.545 -0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.727 12.511 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.090 11.533 -1.392 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.762 13.091 0.253 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.201 13.888 0.274 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.769 13.064 -2.123 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.779 14.649 -2.905 1.00 0.00 H new ATOM 140 N GLY A 12 -2.061 12.084 -0.254 1.00 0.00 N ATOM 141 CA GLY A 12 -0.892 12.866 0.103 1.00 0.00 C ATOM 142 C GLY A 12 0.328 12.490 -0.714 1.00 0.00 C ATOM 143 O GLY A 12 0.296 11.531 -1.485 1.00 0.00 O ATOM 0 H GLY A 12 -1.909 11.398 -0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.109 13.925 -0.040 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.674 12.725 1.162 1.00 0.00 H new ATOM 147 N TYR A 13 1.407 13.247 -0.546 1.00 0.00 N ATOM 148 CA TYR A 13 2.642 12.991 -1.278 1.00 0.00 C ATOM 149 C TYR A 13 3.512 11.977 -0.540 1.00 0.00 C ATOM 150 O TYR A 13 3.999 12.244 0.558 1.00 0.00 O ATOM 151 CB TYR A 13 3.418 14.293 -1.482 1.00 0.00 C ATOM 152 CG TYR A 13 2.905 15.130 -2.632 1.00 0.00 C ATOM 153 CD1 TYR A 13 2.801 14.599 -3.911 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.523 16.452 -2.438 1.00 0.00 C ATOM 155 CE1 TYR A 13 2.333 15.360 -4.965 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.053 17.220 -3.485 1.00 0.00 C ATOM 157 CZ TYR A 13 1.961 16.670 -4.747 1.00 0.00 C ATOM 158 OH TYR A 13 1.493 17.432 -5.793 1.00 0.00 O ATOM 0 H TYR A 13 1.451 14.043 0.091 1.00 0.00 H new ATOM 0 HA TYR A 13 2.379 12.577 -2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.371 14.882 -0.566 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.468 14.057 -1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.091 13.573 -4.085 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.595 16.886 -1.452 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.259 14.932 -5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.759 18.246 -3.317 1.00 0.00 H new ATOM 0 HH TYR A 13 0.999 18.202 -5.441 1.00 0.00 H new ATOM 168 N MET A 14 3.702 10.813 -1.152 1.00 0.00 N ATOM 169 CA MET A 14 4.514 9.760 -0.555 1.00 0.00 C ATOM 170 C MET A 14 5.641 9.343 -1.496 1.00 0.00 C ATOM 171 O MET A 14 5.564 9.559 -2.705 1.00 0.00 O ATOM 172 CB MET A 14 3.645 8.548 -0.213 1.00 0.00 C ATOM 173 CG MET A 14 2.895 8.690 1.101 1.00 0.00 C ATOM 174 SD MET A 14 2.318 7.108 1.745 1.00 0.00 S ATOM 175 CE MET A 14 1.260 6.562 0.407 1.00 0.00 C ATOM 0 H MET A 14 3.305 10.575 -2.061 1.00 0.00 H new ATOM 0 HA MET A 14 4.955 10.152 0.361 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.926 8.388 -1.017 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.276 7.660 -0.168 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.546 9.162 1.837 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.042 9.353 0.958 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.628 5.745 0.754 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.633 7.391 0.077 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.874 6.218 -0.425 1.00 0.00 H new ATOM 185 N MET A 15 6.686 8.746 -0.932 1.00 0.00 N ATOM 186 CA MET A 15 7.827 8.299 -1.721 1.00 0.00 C ATOM 187 C MET A 15 7.747 6.800 -1.992 1.00 0.00 C ATOM 188 O MET A 15 7.922 5.984 -1.086 1.00 0.00 O ATOM 189 CB MET A 15 9.135 8.629 -0.999 1.00 0.00 C ATOM 190 CG MET A 15 9.424 10.119 -0.916 1.00 0.00 C ATOM 191 SD MET A 15 11.168 10.473 -0.623 1.00 0.00 S ATOM 192 CE MET A 15 11.771 10.615 -2.304 1.00 0.00 C ATOM 0 H MET A 15 6.766 8.561 0.068 1.00 0.00 H new ATOM 0 HA MET A 15 7.805 8.825 -2.676 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.097 8.218 0.010 1.00 0.00 H new ATOM 0 HB3 MET A 15 9.959 8.135 -1.514 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.111 10.598 -1.844 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.829 10.557 -0.115 1.00 0.00 H new ATOM 0 HE1 MET A 15 12.815 10.305 -2.343 1.00 0.00 H new ATOM 0 HE2 MET A 15 11.178 9.976 -2.959 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.687 11.650 -2.634 1.00 0.00 H new ATOM 202 N LYS A 16 7.482 6.443 -3.244 1.00 0.00 N ATOM 203 CA LYS A 16 7.379 5.042 -3.636 1.00 0.00 C ATOM 204 C LYS A 16 8.729 4.508 -4.103 1.00 0.00 C ATOM 205 O LYS A 16 9.496 5.215 -4.756 1.00 0.00 O ATOM 206 CB LYS A 16 6.340 4.877 -4.747 1.00 0.00 C ATOM 207 CG LYS A 16 6.383 3.516 -5.422 1.00 0.00 C ATOM 208 CD LYS A 16 5.676 2.459 -4.591 1.00 0.00 C ATOM 209 CE LYS A 16 5.060 1.380 -5.469 1.00 0.00 C ATOM 210 NZ LYS A 16 4.878 0.101 -4.729 1.00 0.00 N ATOM 0 H LYS A 16 7.334 7.105 -4.006 1.00 0.00 H new ATOM 0 HA LYS A 16 7.063 4.468 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.346 5.035 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.497 5.651 -5.498 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.915 3.581 -6.404 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.420 3.221 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.385 2.005 -3.898 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.898 2.928 -3.989 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.096 1.723 -5.844 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.697 1.210 -6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.080 -0.426 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.744 -0.470 -4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.683 0.304 -3.728 1.00 0.00 H new ATOM 224 N LYS A 17 9.013 3.254 -3.767 1.00 0.00 N ATOM 225 CA LYS A 17 10.269 2.623 -4.154 1.00 0.00 C ATOM 226 C LYS A 17 10.132 1.920 -5.501 1.00 0.00 C ATOM 227 O LYS A 17 9.423 0.921 -5.622 1.00 0.00 O ATOM 228 CB LYS A 17 10.710 1.620 -3.086 1.00 0.00 C ATOM 229 CG LYS A 17 12.208 1.371 -3.067 1.00 0.00 C ATOM 230 CD LYS A 17 12.651 0.729 -1.763 1.00 0.00 C ATOM 231 CE LYS A 17 14.167 0.699 -1.643 1.00 0.00 C ATOM 232 NZ LYS A 17 14.739 2.066 -1.497 1.00 0.00 N ATOM 0 H LYS A 17 8.389 2.654 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 17 11.025 3.403 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.398 1.984 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.195 0.674 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.481 0.726 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.736 2.314 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.229 1.281 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 17 12.260 -0.287 -1.705 1.00 0.00 H new ATOM 0 HE2 LYS A 17 14.451 0.093 -0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 17 14.592 0.220 -2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 15.605 2.021 -0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 14.967 2.449 -2.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 14.046 2.684 -1.030 1.00 0.00 H new ATOM 355 N TRP A 24 14.185 6.591 -4.393 1.00 0.00 N ATOM 356 CA TRP A 24 12.901 7.115 -3.942 1.00 0.00 C ATOM 357 C TRP A 24 12.486 8.327 -4.770 1.00 0.00 C ATOM 358 O TRP A 24 13.308 9.188 -5.084 1.00 0.00 O ATOM 359 CB TRP A 24 12.973 7.495 -2.461 1.00 0.00 C ATOM 360 CG TRP A 24 13.208 6.321 -1.559 1.00 0.00 C ATOM 361 CD1 TRP A 24 14.380 5.979 -0.947 1.00 0.00 C ATOM 362 CD2 TRP A 24 12.246 5.335 -1.168 1.00 0.00 C ATOM 363 NE1 TRP A 24 14.205 4.839 -0.200 1.00 0.00 N ATOM 364 CE2 TRP A 24 12.904 4.425 -0.318 1.00 0.00 C ATOM 365 CE3 TRP A 24 10.893 5.133 -1.452 1.00 0.00 C ATOM 366 CZ2 TRP A 24 12.254 3.332 0.249 1.00 0.00 C ATOM 367 CZ3 TRP A 24 10.249 4.048 -0.889 1.00 0.00 C ATOM 368 CH2 TRP A 24 10.929 3.158 -0.046 1.00 0.00 C ATOM 0 HA TRP A 24 12.152 6.334 -4.074 1.00 0.00 H new ATOM 0 HB2 TRP A 24 13.774 8.221 -2.318 1.00 0.00 H new ATOM 0 HB3 TRP A 24 12.043 7.985 -2.173 1.00 0.00 H new ATOM 0 HD1 TRP A 24 15.308 6.524 -1.037 1.00 0.00 H new ATOM 0 HE1 TRP A 24 14.926 4.376 0.353 1.00 0.00 H new ATOM 0 HE3 TRP A 24 10.360 5.813 -2.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.777 2.646 0.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 9.203 3.883 -1.102 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.397 2.319 0.379 1.00 0.00 H new ATOM 379 N THR A 25 11.205 8.388 -5.121 1.00 0.00 N ATOM 380 CA THR A 25 10.682 9.494 -5.913 1.00 0.00 C ATOM 381 C THR A 25 9.284 9.888 -5.451 1.00 0.00 C ATOM 382 O THR A 25 8.368 9.067 -5.448 1.00 0.00 O ATOM 383 CB THR A 25 10.635 9.138 -7.411 1.00 0.00 C ATOM 384 OG1 THR A 25 9.901 7.923 -7.603 1.00 0.00 O ATOM 385 CG2 THR A 25 12.039 8.983 -7.976 1.00 0.00 C ATOM 0 H THR A 25 10.511 7.684 -4.869 1.00 0.00 H new ATOM 0 HA THR A 25 11.359 10.336 -5.768 1.00 0.00 H new ATOM 0 HB THR A 25 10.136 9.951 -7.939 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.207 7.848 -6.915 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.979 8.732 -9.035 1.00 0.00 H new ATOM 0 HG22 THR A 25 12.585 9.919 -7.855 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.560 8.187 -7.443 1.00 0.00 H new ATOM 393 N GLU A 26 9.128 11.149 -5.063 1.00 0.00 N ATOM 394 CA GLU A 26 7.840 11.651 -4.599 1.00 0.00 C ATOM 395 C GLU A 26 6.733 11.310 -5.592 1.00 0.00 C ATOM 396 O GLU A 26 6.895 11.479 -6.801 1.00 0.00 O ATOM 397 CB GLU A 26 7.903 13.166 -4.390 1.00 0.00 C ATOM 398 CG GLU A 26 6.705 13.727 -3.642 1.00 0.00 C ATOM 399 CD GLU A 26 6.486 15.203 -3.915 1.00 0.00 C ATOM 400 OE1 GLU A 26 6.376 15.577 -5.101 1.00 0.00 O ATOM 401 OE2 GLU A 26 6.425 15.983 -2.942 1.00 0.00 O ATOM 0 H GLU A 26 9.877 11.842 -5.061 1.00 0.00 H new ATOM 0 HA GLU A 26 7.613 11.169 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.812 13.411 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.976 13.656 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.811 13.172 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.846 13.576 -2.572 1.00 0.00 H new ATOM 408 N ARG A 27 5.608 10.827 -5.073 1.00 0.00 N ATOM 409 CA ARG A 27 4.475 10.460 -5.914 1.00 0.00 C ATOM 410 C ARG A 27 3.167 10.551 -5.133 1.00 0.00 C ATOM 411 O ARG A 27 3.114 10.212 -3.951 1.00 0.00 O ATOM 412 CB ARG A 27 4.657 9.043 -6.461 1.00 0.00 C ATOM 413 CG ARG A 27 5.437 8.989 -7.765 1.00 0.00 C ATOM 414 CD ARG A 27 5.008 7.810 -8.623 1.00 0.00 C ATOM 415 NE ARG A 27 5.782 6.607 -8.327 1.00 0.00 N ATOM 416 CZ ARG A 27 7.008 6.390 -8.788 1.00 0.00 C ATOM 417 NH1 ARG A 27 7.597 7.290 -9.563 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.648 5.270 -8.474 1.00 0.00 N ATOM 0 H ARG A 27 5.457 10.681 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 27 4.431 11.161 -6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.171 8.438 -5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 27 3.676 8.593 -6.615 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.287 9.916 -8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.503 8.915 -7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.949 7.609 -8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.125 8.066 -9.676 1.00 0.00 H new ATOM 0 HE ARG A 27 5.357 5.895 -7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.108 8.152 -9.806 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.539 7.121 -9.916 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.198 4.575 -7.878 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.590 5.104 -8.829 1.00 0.00 H new ATOM 432 N TRP A 28 2.116 11.011 -5.802 1.00 0.00 N ATOM 433 CA TRP A 28 0.809 11.147 -5.171 1.00 0.00 C ATOM 434 C TRP A 28 0.175 9.781 -4.930 1.00 0.00 C ATOM 435 O TRP A 28 0.348 8.857 -5.726 1.00 0.00 O ATOM 436 CB TRP A 28 -0.113 12.004 -6.040 1.00 0.00 C ATOM 437 CG TRP A 28 -1.366 12.431 -5.335 1.00 0.00 C ATOM 438 CD1 TRP A 28 -2.640 12.023 -5.609 1.00 0.00 C ATOM 439 CD2 TRP A 28 -1.463 13.350 -4.242 1.00 0.00 C ATOM 440 NE1 TRP A 28 -3.523 12.633 -4.752 1.00 0.00 N ATOM 441 CE2 TRP A 28 -2.826 13.451 -3.903 1.00 0.00 C ATOM 442 CE3 TRP A 28 -0.531 14.095 -3.515 1.00 0.00 C ATOM 443 CZ2 TRP A 28 -3.277 14.269 -2.870 1.00 0.00 C ATOM 444 CZ3 TRP A 28 -0.980 14.907 -2.490 1.00 0.00 C ATOM 445 CH2 TRP A 28 -2.343 14.988 -2.175 1.00 0.00 C ATOM 0 H TRP A 28 2.144 11.296 -6.781 1.00 0.00 H new ATOM 0 HA TRP A 28 0.948 11.637 -4.207 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.430 12.890 -6.369 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.381 11.443 -6.935 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.913 11.324 -6.385 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.534 12.499 -4.748 1.00 0.00 H new ATOM 0 HE3 TRP A 28 0.522 14.038 -3.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.327 14.334 -2.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.268 15.489 -1.923 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -2.663 15.631 -1.368 1.00 0.00 H new ATOM 456 N PHE A 29 -0.559 9.659 -3.829 1.00 0.00 N ATOM 457 CA PHE A 29 -1.217 8.404 -3.484 1.00 0.00 C ATOM 458 C PHE A 29 -2.689 8.635 -3.156 1.00 0.00 C ATOM 459 O PHE A 29 -3.046 9.625 -2.516 1.00 0.00 O ATOM 460 CB PHE A 29 -0.515 7.745 -2.296 1.00 0.00 C ATOM 461 CG PHE A 29 0.602 6.823 -2.695 1.00 0.00 C ATOM 462 CD1 PHE A 29 1.866 7.321 -2.965 1.00 0.00 C ATOM 463 CD2 PHE A 29 0.387 5.459 -2.801 1.00 0.00 C ATOM 464 CE1 PHE A 29 2.896 6.476 -3.332 1.00 0.00 C ATOM 465 CE2 PHE A 29 1.413 4.608 -3.168 1.00 0.00 C ATOM 466 CZ PHE A 29 2.668 5.118 -3.435 1.00 0.00 C ATOM 0 H PHE A 29 -0.713 10.414 -3.160 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.155 7.741 -4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.118 8.522 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.248 7.185 -1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.049 8.383 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.593 5.055 -2.595 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.877 6.877 -3.538 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.233 3.546 -3.246 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.470 4.456 -3.724 1.00 0.00 H new ATOM 476 N VAL A 30 -3.540 7.715 -3.598 1.00 0.00 N ATOM 477 CA VAL A 30 -4.973 7.817 -3.351 1.00 0.00 C ATOM 478 C VAL A 30 -5.504 6.561 -2.669 1.00 0.00 C ATOM 479 O VAL A 30 -5.892 5.598 -3.331 1.00 0.00 O ATOM 480 CB VAL A 30 -5.753 8.045 -4.660 1.00 0.00 C ATOM 481 CG1 VAL A 30 -7.242 8.184 -4.377 1.00 0.00 C ATOM 482 CG2 VAL A 30 -5.224 9.271 -5.388 1.00 0.00 C ATOM 0 H VAL A 30 -3.262 6.890 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 30 -5.121 8.674 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.609 7.178 -5.304 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.777 8.344 -5.313 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.608 7.274 -3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -7.409 9.033 -3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.786 9.417 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.336 10.149 -4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.170 9.127 -5.625 1.00 0.00 H new ATOM 492 N LEU A 31 -5.519 6.578 -1.340 1.00 0.00 N ATOM 493 CA LEU A 31 -6.003 5.441 -0.566 1.00 0.00 C ATOM 494 C LEU A 31 -7.515 5.294 -0.700 1.00 0.00 C ATOM 495 O LEU A 31 -8.279 6.066 -0.119 1.00 0.00 O ATOM 496 CB LEU A 31 -5.624 5.603 0.907 1.00 0.00 C ATOM 497 CG LEU A 31 -6.519 4.880 1.914 1.00 0.00 C ATOM 498 CD1 LEU A 31 -6.573 3.391 1.608 1.00 0.00 C ATOM 499 CD2 LEU A 31 -6.024 5.117 3.334 1.00 0.00 C ATOM 0 H LEU A 31 -5.201 7.367 -0.777 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.533 4.540 -0.959 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.602 5.248 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.626 6.666 1.147 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.528 5.284 1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.215 2.893 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.975 3.240 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.568 2.972 1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.673 4.595 4.037 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.006 4.741 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.039 6.185 3.551 1.00 0.00 H new ATOM 511 N LYS A 32 -7.942 4.298 -1.469 1.00 0.00 N ATOM 512 CA LYS A 32 -9.364 4.047 -1.678 1.00 0.00 C ATOM 513 C LYS A 32 -9.909 3.094 -0.620 1.00 0.00 C ATOM 514 O LYS A 32 -9.160 2.419 0.087 1.00 0.00 O ATOM 515 CB LYS A 32 -9.600 3.466 -3.074 1.00 0.00 C ATOM 516 CG LYS A 32 -9.965 4.511 -4.114 1.00 0.00 C ATOM 517 CD LYS A 32 -8.742 4.983 -4.883 1.00 0.00 C ATOM 518 CE LYS A 32 -9.111 6.014 -5.938 1.00 0.00 C ATOM 519 NZ LYS A 32 -8.026 6.193 -6.942 1.00 0.00 N ATOM 0 H LYS A 32 -7.324 3.651 -1.958 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.892 4.997 -1.592 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.700 2.943 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.398 2.725 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.695 4.095 -4.809 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.439 5.362 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.019 5.413 -4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.259 4.130 -5.360 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.026 5.705 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.320 6.969 -5.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.323 6.891 -7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.164 6.529 -6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.832 5.284 -7.409 1.00 0.00 H new ATOM 533 N PRO A 33 -11.244 3.034 -0.507 1.00 0.00 N ATOM 534 CA PRO A 33 -11.919 2.164 0.461 1.00 0.00 C ATOM 535 C PRO A 33 -11.784 0.687 0.106 1.00 0.00 C ATOM 536 O PRO A 33 -11.840 -0.178 0.978 1.00 0.00 O ATOM 537 CB PRO A 33 -13.382 2.604 0.374 1.00 0.00 C ATOM 538 CG PRO A 33 -13.524 3.179 -0.993 1.00 0.00 C ATOM 539 CD PRO A 33 -12.198 3.810 -1.317 1.00 0.00 C ATOM 0 HA PRO A 33 -11.491 2.256 1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.058 1.762 0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.620 3.342 1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -13.775 2.405 -1.718 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.325 3.917 -1.025 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.970 3.742 -2.381 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.181 4.868 -1.054 1.00 0.00 H new ATOM 547 N ASN A 34 -11.607 0.407 -1.181 1.00 0.00 N ATOM 548 CA ASN A 34 -11.464 -0.966 -1.652 1.00 0.00 C ATOM 549 C ASN A 34 -10.296 -1.090 -2.625 1.00 0.00 C ATOM 550 O ASN A 34 -10.269 -1.987 -3.467 1.00 0.00 O ATOM 551 CB ASN A 34 -12.756 -1.432 -2.326 1.00 0.00 C ATOM 552 CG ASN A 34 -13.875 -1.671 -1.331 1.00 0.00 C ATOM 553 OD1 ASN A 34 -13.738 -1.377 -0.144 1.00 0.00 O ATOM 554 ND2 ASN A 34 -14.990 -2.208 -1.812 1.00 0.00 N ATOM 0 H ASN A 34 -11.559 1.112 -1.916 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.262 -1.600 -0.789 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.073 -0.684 -3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.563 -2.351 -2.879 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.777 -2.393 -1.190 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -15.060 -2.436 -2.804 1.00 0.00 H new ATOM 561 N ILE A 35 -9.332 -0.183 -2.502 1.00 0.00 N ATOM 562 CA ILE A 35 -8.161 -0.191 -3.369 1.00 0.00 C ATOM 563 C ILE A 35 -7.201 0.937 -3.007 1.00 0.00 C ATOM 564 O ILE A 35 -7.486 1.750 -2.127 1.00 0.00 O ATOM 565 CB ILE A 35 -8.557 -0.057 -4.851 1.00 0.00 C ATOM 566 CG1 ILE A 35 -7.461 -0.636 -5.749 1.00 0.00 C ATOM 567 CG2 ILE A 35 -8.819 1.400 -5.200 1.00 0.00 C ATOM 568 CD1 ILE A 35 -7.989 -1.264 -7.020 1.00 0.00 C ATOM 0 H ILE A 35 -9.339 0.566 -1.810 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.664 -1.150 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.474 -0.621 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.760 0.157 -6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.902 -1.385 -5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.098 1.478 -6.251 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.630 1.782 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.917 1.985 -5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.157 -1.653 -7.607 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.668 -2.079 -6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.524 -0.513 -7.602 1.00 0.00 H new ATOM 580 N ILE A 36 -6.063 0.981 -3.692 1.00 0.00 N ATOM 581 CA ILE A 36 -5.062 2.011 -3.444 1.00 0.00 C ATOM 582 C ILE A 36 -4.304 2.359 -4.721 1.00 0.00 C ATOM 583 O ILE A 36 -3.448 1.598 -5.173 1.00 0.00 O ATOM 584 CB ILE A 36 -4.055 1.570 -2.366 1.00 0.00 C ATOM 585 CG1 ILE A 36 -4.788 1.186 -1.079 1.00 0.00 C ATOM 586 CG2 ILE A 36 -3.047 2.678 -2.098 1.00 0.00 C ATOM 587 CD1 ILE A 36 -3.871 0.670 0.008 1.00 0.00 C ATOM 0 H ILE A 36 -5.811 0.315 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.597 2.892 -3.090 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.516 0.695 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.328 2.056 -0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.532 0.423 -1.308 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.342 2.351 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.506 2.908 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.570 3.570 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.459 0.417 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.350 -0.219 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.143 1.439 0.265 1.00 0.00 H new ATOM 599 N SER A 37 -4.623 3.513 -5.297 1.00 0.00 N ATOM 600 CA SER A 37 -3.973 3.962 -6.523 1.00 0.00 C ATOM 601 C SER A 37 -2.878 4.979 -6.216 1.00 0.00 C ATOM 602 O SER A 37 -2.818 5.531 -5.118 1.00 0.00 O ATOM 603 CB SER A 37 -5.002 4.574 -7.475 1.00 0.00 C ATOM 604 OG SER A 37 -4.417 4.878 -8.730 1.00 0.00 O ATOM 0 H SER A 37 -5.328 4.155 -4.934 1.00 0.00 H new ATOM 0 HA SER A 37 -3.516 3.096 -7.002 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.831 3.880 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.416 5.481 -7.034 1.00 0.00 H new ATOM 0 HG SER A 37 -4.572 5.822 -8.943 1.00 0.00 H new ATOM 610 N TYR A 38 -2.014 5.220 -7.196 1.00 0.00 N ATOM 611 CA TYR A 38 -0.918 6.169 -7.031 1.00 0.00 C ATOM 612 C TYR A 38 -0.633 6.902 -8.338 1.00 0.00 C ATOM 613 O TYR A 38 -0.232 6.294 -9.330 1.00 0.00 O ATOM 614 CB TYR A 38 0.342 5.446 -6.553 1.00 0.00 C ATOM 615 CG TYR A 38 0.763 4.304 -7.450 1.00 0.00 C ATOM 616 CD1 TYR A 38 0.021 3.131 -7.510 1.00 0.00 C ATOM 617 CD2 TYR A 38 1.903 4.399 -8.240 1.00 0.00 C ATOM 618 CE1 TYR A 38 0.402 2.085 -8.327 1.00 0.00 C ATOM 619 CE2 TYR A 38 2.291 3.358 -9.061 1.00 0.00 C ATOM 620 CZ TYR A 38 1.537 2.204 -9.101 1.00 0.00 C ATOM 621 OH TYR A 38 1.920 1.164 -9.918 1.00 0.00 O ATOM 0 H TYR A 38 -2.051 4.772 -8.112 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.214 6.902 -6.281 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.159 6.164 -6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.171 5.063 -5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.870 3.036 -6.907 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.495 5.302 -8.211 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.185 1.179 -8.360 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.180 3.447 -9.668 1.00 0.00 H new ATOM 0 HH TYR A 38 2.739 1.409 -10.397 1.00 0.00 H new ATOM 631 N TYR A 39 -0.841 8.214 -8.330 1.00 0.00 N ATOM 632 CA TYR A 39 -0.608 9.033 -9.514 1.00 0.00 C ATOM 633 C TYR A 39 0.664 9.860 -9.362 1.00 0.00 C ATOM 634 O TYR A 39 1.049 10.232 -8.254 1.00 0.00 O ATOM 635 CB TYR A 39 -1.803 9.955 -9.765 1.00 0.00 C ATOM 636 CG TYR A 39 -3.113 9.218 -9.925 1.00 0.00 C ATOM 637 CD1 TYR A 39 -3.807 8.746 -8.817 1.00 0.00 C ATOM 638 CD2 TYR A 39 -3.658 8.992 -11.183 1.00 0.00 C ATOM 639 CE1 TYR A 39 -5.004 8.072 -8.957 1.00 0.00 C ATOM 640 CE2 TYR A 39 -4.855 8.320 -11.333 1.00 0.00 C ATOM 641 CZ TYR A 39 -5.525 7.862 -10.217 1.00 0.00 C ATOM 642 OH TYR A 39 -6.717 7.191 -10.363 1.00 0.00 O ATOM 0 H TYR A 39 -1.171 8.733 -7.516 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.486 8.367 -10.368 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.890 10.657 -8.936 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.615 10.544 -10.663 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.403 8.909 -7.829 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.136 9.348 -12.059 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.529 7.711 -8.085 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.265 8.154 -12.318 1.00 0.00 H new ATOM 0 HH TYR A 39 -6.943 7.129 -11.315 1.00 0.00 H new ATOM 652 N VAL A 40 1.314 10.146 -10.486 1.00 0.00 N ATOM 653 CA VAL A 40 2.543 10.931 -10.481 1.00 0.00 C ATOM 654 C VAL A 40 2.413 12.148 -9.572 1.00 0.00 C ATOM 655 O VAL A 40 3.320 12.459 -8.800 1.00 0.00 O ATOM 656 CB VAL A 40 2.915 11.401 -11.900 1.00 0.00 C ATOM 657 CG1 VAL A 40 4.267 12.098 -11.894 1.00 0.00 C ATOM 658 CG2 VAL A 40 2.916 10.226 -12.866 1.00 0.00 C ATOM 0 H VAL A 40 1.010 9.846 -11.412 1.00 0.00 H new ATOM 0 HA VAL A 40 3.332 10.281 -10.103 1.00 0.00 H new ATOM 0 HB VAL A 40 2.165 12.118 -12.236 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.513 12.423 -12.905 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.227 12.964 -11.234 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.031 11.407 -11.539 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.181 10.576 -13.864 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.644 9.485 -12.536 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.924 9.775 -12.891 1.00 0.00 H new ATOM 668 N SER A 41 1.278 12.834 -9.668 1.00 0.00 N ATOM 669 CA SER A 41 1.030 14.020 -8.857 1.00 0.00 C ATOM 670 C SER A 41 -0.377 13.991 -8.268 1.00 0.00 C ATOM 671 O SER A 41 -1.105 13.011 -8.422 1.00 0.00 O ATOM 672 CB SER A 41 1.219 15.285 -9.695 1.00 0.00 C ATOM 673 OG SER A 41 0.382 15.269 -10.839 1.00 0.00 O ATOM 0 H SER A 41 0.516 12.588 -10.300 1.00 0.00 H new ATOM 0 HA SER A 41 1.748 14.026 -8.037 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.995 16.163 -9.089 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.261 15.368 -10.004 1.00 0.00 H new ATOM 0 HG SER A 41 0.520 16.089 -11.357 1.00 0.00 H new ATOM 679 N GLU A 42 -0.752 15.073 -7.594 1.00 0.00 N ATOM 680 CA GLU A 42 -2.072 15.171 -6.981 1.00 0.00 C ATOM 681 C GLU A 42 -3.099 15.691 -7.982 1.00 0.00 C ATOM 682 O GLU A 42 -4.037 16.398 -7.615 1.00 0.00 O ATOM 683 CB GLU A 42 -2.024 16.091 -5.759 1.00 0.00 C ATOM 684 CG GLU A 42 -1.905 17.565 -6.111 1.00 0.00 C ATOM 685 CD GLU A 42 -1.586 18.428 -4.906 1.00 0.00 C ATOM 686 OE1 GLU A 42 -0.743 18.014 -4.084 1.00 0.00 O ATOM 687 OE2 GLU A 42 -2.181 19.520 -4.786 1.00 0.00 O ATOM 0 H GLU A 42 -0.161 15.894 -7.458 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.372 14.172 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.925 15.940 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.178 15.806 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.126 17.694 -6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.839 17.904 -6.559 1.00 0.00 H new ATOM 694 N ASP A 43 -2.914 15.335 -9.249 1.00 0.00 N ATOM 695 CA ASP A 43 -3.825 15.764 -10.304 1.00 0.00 C ATOM 696 C ASP A 43 -4.746 14.623 -10.724 1.00 0.00 C ATOM 697 O ASP A 43 -5.877 14.851 -11.155 1.00 0.00 O ATOM 698 CB ASP A 43 -3.036 16.270 -11.513 1.00 0.00 C ATOM 699 CG ASP A 43 -2.712 17.748 -11.416 1.00 0.00 C ATOM 700 OD1 ASP A 43 -2.389 18.213 -10.302 1.00 0.00 O ATOM 701 OD2 ASP A 43 -2.782 18.439 -12.453 1.00 0.00 O ATOM 0 H ASP A 43 -2.142 14.751 -9.570 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.438 16.576 -9.913 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.109 15.703 -11.602 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.610 16.086 -12.421 1.00 0.00 H new ATOM 706 N LEU A 44 -4.254 13.395 -10.597 1.00 0.00 N ATOM 707 CA LEU A 44 -5.033 12.218 -10.964 1.00 0.00 C ATOM 708 C LEU A 44 -5.275 12.172 -12.469 1.00 0.00 C ATOM 709 O LEU A 44 -6.380 11.875 -12.924 1.00 0.00 O ATOM 710 CB LEU A 44 -6.370 12.214 -10.221 1.00 0.00 C ATOM 711 CG LEU A 44 -6.307 12.514 -8.723 1.00 0.00 C ATOM 712 CD1 LEU A 44 -7.706 12.689 -8.154 1.00 0.00 C ATOM 713 CD2 LEU A 44 -5.565 11.407 -7.989 1.00 0.00 C ATOM 0 H LEU A 44 -3.320 13.189 -10.243 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.463 11.333 -10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.026 12.947 -10.691 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.835 11.237 -10.356 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.761 13.447 -8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.641 12.902 -7.087 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.203 13.517 -8.659 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.278 11.774 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.530 11.637 -6.924 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.084 10.460 -8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.550 11.330 -8.378 1.00 0.00 H new ATOM 725 N LYS A 45 -4.233 12.466 -13.240 1.00 0.00 N ATOM 726 CA LYS A 45 -4.329 12.456 -14.695 1.00 0.00 C ATOM 727 C LYS A 45 -3.525 11.302 -15.285 1.00 0.00 C ATOM 728 O LYS A 45 -3.977 10.626 -16.209 1.00 0.00 O ATOM 729 CB LYS A 45 -3.832 13.784 -15.269 1.00 0.00 C ATOM 730 CG LYS A 45 -4.561 14.997 -14.717 1.00 0.00 C ATOM 731 CD LYS A 45 -5.776 15.348 -15.559 1.00 0.00 C ATOM 732 CE LYS A 45 -6.698 16.314 -14.831 1.00 0.00 C ATOM 733 NZ LYS A 45 -6.256 17.727 -14.986 1.00 0.00 N ATOM 0 H LYS A 45 -3.311 12.714 -12.881 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.377 12.321 -14.964 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.767 13.885 -15.060 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.944 13.766 -16.353 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.873 14.800 -13.691 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.881 15.848 -14.685 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.452 15.792 -16.500 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.323 14.438 -15.807 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.712 16.207 -15.215 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.729 16.058 -13.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.910 18.353 -14.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.298 17.836 -14.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.250 17.980 -15.995 1.00 0.00 H new ATOM 747 N ASP A 46 -2.332 11.081 -14.744 1.00 0.00 N ATOM 748 CA ASP A 46 -1.466 10.006 -15.215 1.00 0.00 C ATOM 749 C ASP A 46 -1.340 8.908 -14.164 1.00 0.00 C ATOM 750 O ASP A 46 -0.433 8.932 -13.331 1.00 0.00 O ATOM 751 CB ASP A 46 -0.081 10.555 -15.566 1.00 0.00 C ATOM 752 CG ASP A 46 -0.062 11.265 -16.905 1.00 0.00 C ATOM 753 OD1 ASP A 46 -0.342 12.482 -16.936 1.00 0.00 O ATOM 754 OD2 ASP A 46 0.234 10.604 -17.922 1.00 0.00 O ATOM 0 H ASP A 46 -1.942 11.632 -13.979 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.916 9.576 -16.110 1.00 0.00 H new ATOM 0 HB2 ASP A 46 0.241 11.246 -14.787 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.638 9.736 -15.582 1.00 0.00 H new ATOM 759 N LYS A 47 -2.257 7.947 -14.207 1.00 0.00 N ATOM 760 CA LYS A 47 -2.250 6.840 -13.259 1.00 0.00 C ATOM 761 C LYS A 47 -1.030 5.949 -13.472 1.00 0.00 C ATOM 762 O LYS A 47 -0.573 5.763 -14.600 1.00 0.00 O ATOM 763 CB LYS A 47 -3.529 6.012 -13.400 1.00 0.00 C ATOM 764 CG LYS A 47 -3.693 4.956 -12.321 1.00 0.00 C ATOM 765 CD LYS A 47 -5.133 4.481 -12.220 1.00 0.00 C ATOM 766 CE LYS A 47 -5.535 3.658 -13.434 1.00 0.00 C ATOM 767 NZ LYS A 47 -7.011 3.639 -13.628 1.00 0.00 N ATOM 0 H LYS A 47 -3.015 7.913 -14.889 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.203 7.257 -12.253 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.389 6.681 -13.375 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.531 5.526 -14.376 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.044 4.108 -12.539 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.375 5.363 -11.361 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.258 3.884 -11.317 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.795 5.342 -12.127 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.057 4.067 -14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.171 2.637 -13.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.244 3.068 -14.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.466 3.225 -12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.356 4.611 -13.765 1.00 0.00 H new ATOM 781 N LYS A 48 -0.507 5.400 -12.381 1.00 0.00 N ATOM 782 CA LYS A 48 0.659 4.526 -12.447 1.00 0.00 C ATOM 783 C LYS A 48 0.261 3.071 -12.223 1.00 0.00 C ATOM 784 O LYS A 48 0.726 2.174 -12.925 1.00 0.00 O ATOM 785 CB LYS A 48 1.698 4.948 -11.407 1.00 0.00 C ATOM 786 CG LYS A 48 2.315 6.309 -11.680 1.00 0.00 C ATOM 787 CD LYS A 48 3.577 6.191 -12.519 1.00 0.00 C ATOM 788 CE LYS A 48 3.268 6.275 -14.006 1.00 0.00 C ATOM 789 NZ LYS A 48 2.470 7.488 -14.338 1.00 0.00 N ATOM 0 H LYS A 48 -0.872 5.545 -11.440 1.00 0.00 H new ATOM 0 HA LYS A 48 1.094 4.616 -13.442 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.230 4.962 -10.423 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.490 4.200 -11.373 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.592 6.941 -12.196 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.550 6.799 -10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.272 6.985 -12.245 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.072 5.244 -12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.200 6.288 -14.571 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.721 5.384 -14.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.603 7.207 -14.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.216 7.987 -13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.032 8.118 -14.945 1.00 0.00 H new ATOM 803 N GLY A 49 -0.604 2.843 -11.239 1.00 0.00 N ATOM 804 CA GLY A 49 -1.051 1.495 -10.941 1.00 0.00 C ATOM 805 C GLY A 49 -2.110 1.461 -9.857 1.00 0.00 C ATOM 806 O GLY A 49 -2.439 2.492 -9.269 1.00 0.00 O ATOM 0 H GLY A 49 -1.003 3.568 -10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.449 1.039 -11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.197 0.893 -10.629 1.00 0.00 H new ATOM 810 N ASP A 50 -2.647 0.275 -9.593 1.00 0.00 N ATOM 811 CA ASP A 50 -3.676 0.111 -8.573 1.00 0.00 C ATOM 812 C ASP A 50 -3.403 -1.123 -7.719 1.00 0.00 C ATOM 813 O ASP A 50 -3.075 -2.190 -8.240 1.00 0.00 O ATOM 814 CB ASP A 50 -5.056 0.002 -9.223 1.00 0.00 C ATOM 815 CG ASP A 50 -5.020 -0.761 -10.532 1.00 0.00 C ATOM 816 OD1 ASP A 50 -4.774 -0.130 -11.581 1.00 0.00 O ATOM 817 OD2 ASP A 50 -5.237 -1.991 -10.508 1.00 0.00 O ATOM 0 H ASP A 50 -2.387 -0.587 -10.071 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.656 0.989 -7.927 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.740 -0.494 -8.535 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.451 1.002 -9.400 1.00 0.00 H new ATOM 822 N ILE A 51 -3.540 -0.970 -6.406 1.00 0.00 N ATOM 823 CA ILE A 51 -3.308 -2.072 -5.481 1.00 0.00 C ATOM 824 C ILE A 51 -4.625 -2.659 -4.985 1.00 0.00 C ATOM 825 O ILE A 51 -5.222 -2.155 -4.032 1.00 0.00 O ATOM 826 CB ILE A 51 -2.470 -1.623 -4.269 1.00 0.00 C ATOM 827 CG1 ILE A 51 -1.275 -0.786 -4.730 1.00 0.00 C ATOM 828 CG2 ILE A 51 -2.001 -2.832 -3.473 1.00 0.00 C ATOM 829 CD1 ILE A 51 -0.832 0.244 -3.715 1.00 0.00 C ATOM 0 H ILE A 51 -3.810 -0.094 -5.959 1.00 0.00 H new ATOM 0 HA ILE A 51 -2.757 -2.835 -6.031 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.094 -1.006 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.439 -1.450 -4.950 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.533 -0.280 -5.660 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.410 -2.499 -2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.866 -3.392 -3.119 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.390 -3.472 -4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.019 0.800 -4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.653 0.932 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.542 -0.257 -2.791 1.00 0.00 H new ATOM 841 N LEU A 52 -5.072 -3.728 -5.634 1.00 0.00 N ATOM 842 CA LEU A 52 -6.318 -4.387 -5.258 1.00 0.00 C ATOM 843 C LEU A 52 -6.294 -4.800 -3.790 1.00 0.00 C ATOM 844 O LEU A 52 -5.690 -5.811 -3.428 1.00 0.00 O ATOM 845 CB LEU A 52 -6.557 -5.613 -6.141 1.00 0.00 C ATOM 846 CG LEU A 52 -6.465 -5.382 -7.650 1.00 0.00 C ATOM 847 CD1 LEU A 52 -6.415 -6.708 -8.391 1.00 0.00 C ATOM 848 CD2 LEU A 52 -7.639 -4.542 -8.133 1.00 0.00 C ATOM 0 H LEU A 52 -4.590 -4.157 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.133 -3.678 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.833 -6.380 -5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.546 -6.012 -5.914 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.544 -4.838 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.350 -6.523 -9.463 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.542 -7.274 -8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.318 -7.279 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.558 -4.387 -9.209 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.572 -5.059 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.629 -3.577 -7.626 1.00 0.00 H new ATOM 860 N LEU A 53 -6.955 -4.014 -2.948 1.00 0.00 N ATOM 861 CA LEU A 53 -7.012 -4.299 -1.519 1.00 0.00 C ATOM 862 C LEU A 53 -7.905 -5.504 -1.239 1.00 0.00 C ATOM 863 O LEU A 53 -8.892 -5.733 -1.937 1.00 0.00 O ATOM 864 CB LEU A 53 -7.529 -3.078 -0.755 1.00 0.00 C ATOM 865 CG LEU A 53 -6.518 -1.955 -0.521 1.00 0.00 C ATOM 866 CD1 LEU A 53 -7.215 -0.710 0.002 1.00 0.00 C ATOM 867 CD2 LEU A 53 -5.433 -2.407 0.445 1.00 0.00 C ATOM 0 H LEU A 53 -7.459 -3.174 -3.230 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.003 -4.531 -1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.379 -2.667 -1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.902 -3.412 0.213 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.049 -1.710 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.480 0.078 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.954 -0.374 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.712 -0.940 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.722 -1.595 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.885 -2.680 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.913 -3.270 0.030 1.00 0.00 H new ATOM 879 N ASP A 54 -7.552 -6.269 -0.212 1.00 0.00 N ATOM 880 CA ASP A 54 -8.323 -7.449 0.163 1.00 0.00 C ATOM 881 C ASP A 54 -7.787 -8.060 1.454 1.00 0.00 C ATOM 882 O ASP A 54 -6.603 -7.939 1.764 1.00 0.00 O ATOM 883 CB ASP A 54 -8.288 -8.485 -0.961 1.00 0.00 C ATOM 884 CG ASP A 54 -6.888 -8.713 -1.495 1.00 0.00 C ATOM 885 OD1 ASP A 54 -5.999 -9.070 -0.694 1.00 0.00 O ATOM 886 OD2 ASP A 54 -6.681 -8.533 -2.713 1.00 0.00 O ATOM 0 H ASP A 54 -6.737 -6.093 0.376 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.355 -7.141 0.330 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.692 -9.429 -0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.935 -8.156 -1.774 1.00 0.00 H new ATOM 891 N GLU A 55 -8.668 -8.717 2.202 1.00 0.00 N ATOM 892 CA GLU A 55 -8.283 -9.346 3.460 1.00 0.00 C ATOM 893 C GLU A 55 -6.862 -9.897 3.379 1.00 0.00 C ATOM 894 O GLU A 55 -6.086 -9.782 4.327 1.00 0.00 O ATOM 895 CB GLU A 55 -9.258 -10.471 3.813 1.00 0.00 C ATOM 896 CG GLU A 55 -9.309 -11.581 2.777 1.00 0.00 C ATOM 897 CD GLU A 55 -9.645 -11.070 1.390 1.00 0.00 C ATOM 898 OE1 GLU A 55 -10.661 -10.356 1.251 1.00 0.00 O ATOM 899 OE2 GLU A 55 -8.893 -11.383 0.443 1.00 0.00 O ATOM 0 H GLU A 55 -9.652 -8.827 1.959 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.317 -8.587 4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.975 -10.897 4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.257 -10.051 3.932 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.346 -12.091 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.052 -12.320 3.078 1.00 0.00 H new ATOM 906 N ASN A 56 -6.530 -10.497 2.241 1.00 0.00 N ATOM 907 CA ASN A 56 -5.203 -11.067 2.036 1.00 0.00 C ATOM 908 C ASN A 56 -4.127 -9.991 2.137 1.00 0.00 C ATOM 909 O ASN A 56 -3.138 -10.151 2.853 1.00 0.00 O ATOM 910 CB ASN A 56 -5.126 -11.756 0.672 1.00 0.00 C ATOM 911 CG ASN A 56 -5.532 -13.216 0.738 1.00 0.00 C ATOM 912 OD1 ASN A 56 -4.684 -14.105 0.803 1.00 0.00 O ATOM 913 ND2 ASN A 56 -6.836 -13.468 0.720 1.00 0.00 N ATOM 0 H ASN A 56 -7.161 -10.601 1.447 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.027 -11.805 2.818 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.773 -11.233 -0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.109 -11.682 0.287 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.170 -14.431 0.761 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.503 -12.699 0.665 1.00 0.00 H new ATOM 920 N CYS A 57 -4.326 -8.893 1.414 1.00 0.00 N ATOM 921 CA CYS A 57 -3.374 -7.789 1.421 1.00 0.00 C ATOM 922 C CYS A 57 -3.292 -7.150 2.804 1.00 0.00 C ATOM 923 O CYS A 57 -4.299 -7.025 3.502 1.00 0.00 O ATOM 924 CB CYS A 57 -3.774 -6.738 0.384 1.00 0.00 C ATOM 925 SG CYS A 57 -3.664 -7.315 -1.341 1.00 0.00 S ATOM 0 H CYS A 57 -5.139 -8.745 0.816 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.392 -8.187 1.166 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.796 -6.417 0.584 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.135 -5.863 0.504 1.00 0.00 H new ATOM 930 N CYS A 58 -2.088 -6.747 3.193 1.00 0.00 N ATOM 931 CA CYS A 58 -1.873 -6.121 4.492 1.00 0.00 C ATOM 932 C CYS A 58 -0.628 -5.241 4.473 1.00 0.00 C ATOM 933 O CYS A 58 0.174 -5.302 3.541 1.00 0.00 O ATOM 934 CB CYS A 58 -1.742 -7.188 5.580 1.00 0.00 C ATOM 935 SG CYS A 58 -0.227 -8.169 5.472 1.00 0.00 S ATOM 0 H CYS A 58 -1.245 -6.843 2.627 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.736 -5.492 4.712 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.780 -6.703 6.556 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.600 -7.857 5.523 1.00 0.00 H new ATOM 0 HG CYS A 58 -0.206 -9.042 6.435 1.00 0.00 H new ATOM 941 N VAL A 59 -0.473 -4.421 5.508 1.00 0.00 N ATOM 942 CA VAL A 59 0.675 -3.527 5.610 1.00 0.00 C ATOM 943 C VAL A 59 1.529 -3.867 6.826 1.00 0.00 C ATOM 944 O VAL A 59 1.013 -4.284 7.862 1.00 0.00 O ATOM 945 CB VAL A 59 0.233 -2.054 5.702 1.00 0.00 C ATOM 946 CG1 VAL A 59 -0.582 -1.819 6.964 1.00 0.00 C ATOM 947 CG2 VAL A 59 1.442 -1.132 5.658 1.00 0.00 C ATOM 0 H VAL A 59 -1.128 -4.357 6.288 1.00 0.00 H new ATOM 0 HA VAL A 59 1.266 -3.665 4.704 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.399 -1.828 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.885 -0.773 7.012 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.468 -2.453 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.022 -2.062 7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.112 -0.095 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.102 -1.357 6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.980 -1.282 4.722 1.00 0.00 H new ATOM 957 N GLU A 60 2.839 -3.684 6.691 1.00 0.00 N ATOM 958 CA GLU A 60 3.766 -3.972 7.780 1.00 0.00 C ATOM 959 C GLU A 60 4.809 -2.866 7.914 1.00 0.00 C ATOM 960 O GLU A 60 5.136 -2.186 6.941 1.00 0.00 O ATOM 961 CB GLU A 60 4.459 -5.316 7.548 1.00 0.00 C ATOM 962 CG GLU A 60 5.177 -5.408 6.212 1.00 0.00 C ATOM 963 CD GLU A 60 6.620 -4.948 6.293 1.00 0.00 C ATOM 964 OE1 GLU A 60 7.232 -5.098 7.371 1.00 0.00 O ATOM 965 OE2 GLU A 60 7.137 -4.438 5.277 1.00 0.00 O ATOM 0 H GLU A 60 3.282 -3.338 5.840 1.00 0.00 H new ATOM 0 HA GLU A 60 3.193 -4.022 8.706 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.177 -5.488 8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.718 -6.113 7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.147 -6.438 5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.647 -4.803 5.476 1.00 0.00 H new ATOM 972 N SER A 61 5.326 -2.692 9.126 1.00 0.00 N ATOM 973 CA SER A 61 6.328 -1.666 9.389 1.00 0.00 C ATOM 974 C SER A 61 7.730 -2.186 9.086 1.00 0.00 C ATOM 975 O SER A 61 8.091 -3.297 9.477 1.00 0.00 O ATOM 976 CB SER A 61 6.246 -1.204 10.845 1.00 0.00 C ATOM 977 OG SER A 61 6.536 -2.269 11.734 1.00 0.00 O ATOM 0 H SER A 61 5.068 -3.248 9.941 1.00 0.00 H new ATOM 0 HA SER A 61 6.125 -0.818 8.735 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.948 -0.386 11.011 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.249 -0.815 11.051 1.00 0.00 H new ATOM 0 HG SER A 61 6.479 -1.948 12.658 1.00 0.00 H new ATOM 983 N LEU A 62 8.517 -1.375 8.388 1.00 0.00 N ATOM 984 CA LEU A 62 9.881 -1.752 8.032 1.00 0.00 C ATOM 985 C LEU A 62 10.896 -0.962 8.851 1.00 0.00 C ATOM 986 O LEU A 62 10.638 0.160 9.288 1.00 0.00 O ATOM 987 CB LEU A 62 10.122 -1.520 6.539 1.00 0.00 C ATOM 988 CG LEU A 62 9.391 -2.467 5.586 1.00 0.00 C ATOM 989 CD1 LEU A 62 9.333 -1.875 4.186 1.00 0.00 C ATOM 990 CD2 LEU A 62 10.069 -3.829 5.564 1.00 0.00 C ATOM 0 H LEU A 62 8.235 -0.452 8.057 1.00 0.00 H new ATOM 0 HA LEU A 62 10.008 -2.811 8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.830 -0.498 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.192 -1.599 6.348 1.00 0.00 H new ATOM 0 HG LEU A 62 8.370 -2.598 5.945 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.809 -2.562 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.802 -0.923 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.346 -1.714 3.817 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.536 -4.490 4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.100 -3.717 5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.058 -4.257 6.566 1.00 0.00 H new ATOM 1002 N PRO A 63 12.078 -1.557 9.063 1.00 0.00 N ATOM 1003 CA PRO A 63 13.157 -0.926 9.829 1.00 0.00 C ATOM 1004 C PRO A 63 13.775 0.258 9.092 1.00 0.00 C ATOM 1005 O PRO A 63 13.248 0.712 8.076 1.00 0.00 O ATOM 1006 CB PRO A 63 14.183 -2.050 9.990 1.00 0.00 C ATOM 1007 CG PRO A 63 13.932 -2.960 8.837 1.00 0.00 C ATOM 1008 CD PRO A 63 12.454 -2.894 8.572 1.00 0.00 C ATOM 0 HA PRO A 63 12.800 -0.518 10.775 1.00 0.00 H new ATOM 0 HB2 PRO A 63 15.201 -1.662 9.974 1.00 0.00 H new ATOM 0 HB3 PRO A 63 14.055 -2.570 10.940 1.00 0.00 H new ATOM 0 HG2 PRO A 63 14.500 -2.646 7.961 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.242 -3.979 9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 63 12.230 -3.010 7.511 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.916 -3.682 9.099 1.00 0.00 H new ATOM 1016 N ASP A 64 14.894 0.752 9.609 1.00 0.00 N ATOM 1017 CA ASP A 64 15.585 1.882 8.999 1.00 0.00 C ATOM 1018 C ASP A 64 16.638 1.402 8.005 1.00 0.00 C ATOM 1019 O ASP A 64 17.499 0.588 8.340 1.00 0.00 O ATOM 1020 CB ASP A 64 16.239 2.749 10.075 1.00 0.00 C ATOM 1021 CG ASP A 64 15.246 3.224 11.118 1.00 0.00 C ATOM 1022 OD1 ASP A 64 14.518 2.375 11.674 1.00 0.00 O ATOM 1023 OD2 ASP A 64 15.197 4.445 11.378 1.00 0.00 O ATOM 0 H ASP A 64 15.342 0.388 10.450 1.00 0.00 H new ATOM 0 HA ASP A 64 14.849 2.479 8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.031 2.181 10.563 1.00 0.00 H new ATOM 0 HB3 ASP A 64 16.709 3.613 9.605 1.00 0.00 H new ATOM 1028 N LYS A 65 16.564 1.912 6.780 1.00 0.00 N ATOM 1029 CA LYS A 65 17.510 1.537 5.736 1.00 0.00 C ATOM 1030 C LYS A 65 17.827 2.726 4.835 1.00 0.00 C ATOM 1031 O LYS A 65 17.146 3.751 4.883 1.00 0.00 O ATOM 1032 CB LYS A 65 16.948 0.385 4.899 1.00 0.00 C ATOM 1033 CG LYS A 65 15.939 0.829 3.854 1.00 0.00 C ATOM 1034 CD LYS A 65 15.323 -0.359 3.134 1.00 0.00 C ATOM 1035 CE LYS A 65 14.127 -0.912 3.894 1.00 0.00 C ATOM 1036 NZ LYS A 65 12.860 -0.231 3.507 1.00 0.00 N ATOM 0 H LYS A 65 15.858 2.587 6.486 1.00 0.00 H new ATOM 0 HA LYS A 65 18.433 1.212 6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.772 -0.128 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.476 -0.339 5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.153 1.414 4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.427 1.482 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.012 -0.058 2.133 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.072 -1.141 3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.038 -1.981 3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.291 -0.793 4.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.226 -0.183 4.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.071 0.732 3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.397 -0.766 2.744 1.00 0.00 H new ATOM 1050 N ASP A 66 18.861 2.583 4.015 1.00 0.00 N ATOM 1051 CA ASP A 66 19.266 3.645 3.102 1.00 0.00 C ATOM 1052 C ASP A 66 19.058 5.016 3.736 1.00 0.00 C ATOM 1053 O ASP A 66 18.674 5.972 3.063 1.00 0.00 O ATOM 1054 CB ASP A 66 18.479 3.550 1.794 1.00 0.00 C ATOM 1055 CG ASP A 66 19.236 4.135 0.618 1.00 0.00 C ATOM 1056 OD1 ASP A 66 20.484 4.148 0.663 1.00 0.00 O ATOM 1057 OD2 ASP A 66 18.580 4.580 -0.347 1.00 0.00 O ATOM 0 H ASP A 66 19.435 1.741 3.963 1.00 0.00 H new ATOM 0 HA ASP A 66 20.328 3.521 2.888 1.00 0.00 H new ATOM 0 HB2 ASP A 66 18.246 2.505 1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 66 17.529 4.072 1.907 1.00 0.00 H new ATOM 1062 N GLY A 67 19.313 5.105 5.038 1.00 0.00 N ATOM 1063 CA GLY A 67 19.147 6.363 5.743 1.00 0.00 C ATOM 1064 C GLY A 67 17.719 6.869 5.697 1.00 0.00 C ATOM 1065 O GLY A 67 17.478 8.050 5.444 1.00 0.00 O ATOM 0 H GLY A 67 19.632 4.328 5.617 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.451 6.237 6.782 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.809 7.111 5.306 1.00 0.00 H new ATOM 1069 N LYS A 68 16.768 5.974 5.941 1.00 0.00 N ATOM 1070 CA LYS A 68 15.355 6.334 5.926 1.00 0.00 C ATOM 1071 C LYS A 68 14.727 6.127 7.300 1.00 0.00 C ATOM 1072 O LYS A 68 15.256 5.391 8.132 1.00 0.00 O ATOM 1073 CB LYS A 68 14.607 5.504 4.881 1.00 0.00 C ATOM 1074 CG LYS A 68 14.731 6.048 3.468 1.00 0.00 C ATOM 1075 CD LYS A 68 14.020 7.383 3.321 1.00 0.00 C ATOM 1076 CE LYS A 68 13.972 7.831 1.868 1.00 0.00 C ATOM 1077 NZ LYS A 68 15.248 8.473 1.443 1.00 0.00 N ATOM 0 H LYS A 68 16.950 4.993 6.152 1.00 0.00 H new ATOM 0 HA LYS A 68 15.277 7.390 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 68 14.986 4.482 4.902 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.552 5.459 5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.784 6.166 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.311 5.331 2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.006 7.301 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 68 14.532 8.137 3.919 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.768 6.972 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.149 8.533 1.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.175 8.764 0.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.431 9.308 2.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.030 7.795 1.549 1.00 0.00 H new ATOM 1091 N LYS A 69 13.593 6.781 7.532 1.00 0.00 N ATOM 1092 CA LYS A 69 12.890 6.667 8.804 1.00 0.00 C ATOM 1093 C LYS A 69 11.394 6.469 8.583 1.00 0.00 C ATOM 1094 O LYS A 69 10.825 6.987 7.620 1.00 0.00 O ATOM 1095 CB LYS A 69 13.130 7.915 9.656 1.00 0.00 C ATOM 1096 CG LYS A 69 14.596 8.177 9.952 1.00 0.00 C ATOM 1097 CD LYS A 69 15.231 9.056 8.887 1.00 0.00 C ATOM 1098 CE LYS A 69 16.635 9.488 9.284 1.00 0.00 C ATOM 1099 NZ LYS A 69 17.243 10.395 8.273 1.00 0.00 N ATOM 0 H LYS A 69 13.141 7.396 6.855 1.00 0.00 H new ATOM 0 HA LYS A 69 13.280 5.795 9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.711 8.781 9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.591 7.811 10.598 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.691 8.657 10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.132 7.229 10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.270 8.514 7.942 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.611 9.937 8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 69 16.600 9.992 10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 69 17.265 8.607 9.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.199 10.666 8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.300 9.906 7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.656 11.248 8.174 1.00 0.00 H new ATOM 1113 N CYS A 70 10.762 5.720 9.479 1.00 0.00 N ATOM 1114 CA CYS A 70 9.331 5.455 9.382 1.00 0.00 C ATOM 1115 C CYS A 70 8.984 4.825 8.036 1.00 0.00 C ATOM 1116 O CYS A 70 8.116 5.317 7.314 1.00 0.00 O ATOM 1117 CB CYS A 70 8.537 6.749 9.572 1.00 0.00 C ATOM 1118 SG CYS A 70 8.827 7.565 11.160 1.00 0.00 S ATOM 0 H CYS A 70 11.218 5.285 10.281 1.00 0.00 H new ATOM 0 HA CYS A 70 9.063 4.753 10.172 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.791 7.440 8.768 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.474 6.528 9.478 1.00 0.00 H new ATOM 0 HG CYS A 70 8.477 8.814 11.076 1.00 0.00 H new ATOM 1124 N LEU A 71 9.670 3.737 7.705 1.00 0.00 N ATOM 1125 CA LEU A 71 9.436 3.040 6.445 1.00 0.00 C ATOM 1126 C LEU A 71 8.359 1.972 6.605 1.00 0.00 C ATOM 1127 O LEU A 71 8.192 1.400 7.682 1.00 0.00 O ATOM 1128 CB LEU A 71 10.733 2.401 5.945 1.00 0.00 C ATOM 1129 CG LEU A 71 11.623 3.285 5.071 1.00 0.00 C ATOM 1130 CD1 LEU A 71 13.086 2.906 5.243 1.00 0.00 C ATOM 1131 CD2 LEU A 71 11.211 3.177 3.610 1.00 0.00 C ATOM 0 H LEU A 71 10.392 3.318 8.291 1.00 0.00 H new ATOM 0 HA LEU A 71 9.091 3.770 5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.313 2.079 6.810 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.478 1.504 5.380 1.00 0.00 H new ATOM 0 HG LEU A 71 11.497 4.320 5.388 1.00 0.00 H new ATOM 0 HD11 LEU A 71 13.704 3.546 4.613 1.00 0.00 H new ATOM 0 HD12 LEU A 71 13.375 3.035 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 71 13.229 1.865 4.953 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.855 3.813 3.002 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.307 2.142 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.175 3.498 3.499 1.00 0.00 H new ATOM 1143 N PHE A 72 7.631 1.707 5.525 1.00 0.00 N ATOM 1144 CA PHE A 72 6.570 0.706 5.545 1.00 0.00 C ATOM 1145 C PHE A 72 6.371 0.097 4.160 1.00 0.00 C ATOM 1146 O PHE A 72 6.712 0.708 3.145 1.00 0.00 O ATOM 1147 CB PHE A 72 5.261 1.330 6.032 1.00 0.00 C ATOM 1148 CG PHE A 72 4.625 2.249 5.029 1.00 0.00 C ATOM 1149 CD1 PHE A 72 3.777 1.750 4.054 1.00 0.00 C ATOM 1150 CD2 PHE A 72 4.875 3.612 5.062 1.00 0.00 C ATOM 1151 CE1 PHE A 72 3.189 2.593 3.129 1.00 0.00 C ATOM 1152 CE2 PHE A 72 4.290 4.459 4.140 1.00 0.00 C ATOM 1153 CZ PHE A 72 3.447 3.950 3.172 1.00 0.00 C ATOM 0 H PHE A 72 7.756 2.171 4.625 1.00 0.00 H new ATOM 0 HA PHE A 72 6.865 -0.087 6.233 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.559 0.534 6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.452 1.884 6.951 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.573 0.690 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.534 4.016 5.816 1.00 0.00 H new ATOM 0 HE1 PHE A 72 2.529 2.192 2.374 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.492 5.519 4.177 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.990 4.611 2.450 1.00 0.00 H new ATOM 1163 N LEU A 73 5.819 -1.110 4.125 1.00 0.00 N ATOM 1164 CA LEU A 73 5.574 -1.804 2.865 1.00 0.00 C ATOM 1165 C LEU A 73 4.286 -2.619 2.933 1.00 0.00 C ATOM 1166 O LEU A 73 3.868 -3.050 4.008 1.00 0.00 O ATOM 1167 CB LEU A 73 6.753 -2.719 2.527 1.00 0.00 C ATOM 1168 CG LEU A 73 6.508 -3.747 1.422 1.00 0.00 C ATOM 1169 CD1 LEU A 73 7.812 -4.096 0.721 1.00 0.00 C ATOM 1170 CD2 LEU A 73 5.855 -4.998 1.992 1.00 0.00 C ATOM 0 H LEU A 73 5.532 -1.629 4.955 1.00 0.00 H new ATOM 0 HA LEU A 73 5.466 -1.055 2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.599 -2.096 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.046 -3.251 3.432 1.00 0.00 H new ATOM 0 HG LEU A 73 5.830 -3.310 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.619 -4.829 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.240 -3.196 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.513 -4.513 1.444 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.688 -5.718 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.508 -5.438 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.901 -4.735 2.448 1.00 0.00 H new ATOM 1182 N VAL A 74 3.663 -2.828 1.778 1.00 0.00 N ATOM 1183 CA VAL A 74 2.424 -3.594 1.706 1.00 0.00 C ATOM 1184 C VAL A 74 2.642 -4.925 0.995 1.00 0.00 C ATOM 1185 O VAL A 74 3.222 -4.975 -0.090 1.00 0.00 O ATOM 1186 CB VAL A 74 1.320 -2.809 0.974 1.00 0.00 C ATOM 1187 CG1 VAL A 74 0.057 -3.647 0.856 1.00 0.00 C ATOM 1188 CG2 VAL A 74 1.035 -1.498 1.691 1.00 0.00 C ATOM 0 H VAL A 74 3.995 -2.478 0.879 1.00 0.00 H new ATOM 0 HA VAL A 74 2.107 -3.780 2.732 1.00 0.00 H new ATOM 0 HB VAL A 74 1.669 -2.578 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.712 -3.075 0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.275 -4.556 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.299 -3.911 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.252 -0.956 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.707 -1.704 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.941 -0.893 1.717 1.00 0.00 H new ATOM 1198 N LYS A 75 2.173 -6.004 1.614 1.00 0.00 N ATOM 1199 CA LYS A 75 2.314 -7.337 1.041 1.00 0.00 C ATOM 1200 C LYS A 75 0.967 -7.869 0.562 1.00 0.00 C ATOM 1201 O LYS A 75 0.044 -8.055 1.356 1.00 0.00 O ATOM 1202 CB LYS A 75 2.916 -8.296 2.070 1.00 0.00 C ATOM 1203 CG LYS A 75 3.095 -9.712 1.551 1.00 0.00 C ATOM 1204 CD LYS A 75 4.347 -9.840 0.700 1.00 0.00 C ATOM 1205 CE LYS A 75 5.563 -10.187 1.547 1.00 0.00 C ATOM 1206 NZ LYS A 75 5.698 -11.656 1.746 1.00 0.00 N ATOM 0 H LYS A 75 1.692 -5.981 2.513 1.00 0.00 H new ATOM 0 HA LYS A 75 2.983 -7.267 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.884 -7.911 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.275 -8.319 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.153 -10.404 2.391 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.223 -9.998 0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.197 -10.610 -0.056 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.526 -8.904 0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.462 -9.801 1.067 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.483 -9.695 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.538 -11.852 2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.851 -12.020 2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.800 -12.124 0.823 1.00 0.00 H new ATOM 1220 N CYS A 76 0.861 -8.112 -0.740 1.00 0.00 N ATOM 1221 CA CYS A 76 -0.372 -8.624 -1.325 1.00 0.00 C ATOM 1222 C CYS A 76 -0.190 -10.059 -1.810 1.00 0.00 C ATOM 1223 O CYS A 76 0.907 -10.614 -1.744 1.00 0.00 O ATOM 1224 CB CYS A 76 -0.818 -7.734 -2.487 1.00 0.00 C ATOM 1225 SG CYS A 76 -1.922 -6.370 -1.999 1.00 0.00 S ATOM 0 H CYS A 76 1.615 -7.962 -1.410 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.141 -8.615 -0.553 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.065 -7.317 -2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.326 -8.351 -3.228 1.00 0.00 H new ATOM 1230 N PHE A 77 -1.273 -10.655 -2.297 1.00 0.00 N ATOM 1231 CA PHE A 77 -1.234 -12.026 -2.792 1.00 0.00 C ATOM 1232 C PHE A 77 0.132 -12.349 -3.391 1.00 0.00 C ATOM 1233 O PHE A 77 0.899 -13.132 -2.829 1.00 0.00 O ATOM 1234 CB PHE A 77 -2.327 -12.244 -3.841 1.00 0.00 C ATOM 1235 CG PHE A 77 -3.634 -12.700 -3.258 1.00 0.00 C ATOM 1236 CD1 PHE A 77 -3.711 -13.879 -2.535 1.00 0.00 C ATOM 1237 CD2 PHE A 77 -4.786 -11.950 -3.435 1.00 0.00 C ATOM 1238 CE1 PHE A 77 -4.912 -14.302 -1.997 1.00 0.00 C ATOM 1239 CE2 PHE A 77 -5.990 -12.368 -2.899 1.00 0.00 C ATOM 1240 CZ PHE A 77 -6.053 -13.545 -2.180 1.00 0.00 C ATOM 0 H PHE A 77 -2.189 -10.210 -2.360 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.410 -12.695 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -2.486 -11.314 -4.387 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.983 -12.983 -4.564 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.822 -14.475 -2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.743 -11.029 -3.998 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.958 -15.223 -1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.881 -11.774 -3.043 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.993 -13.873 -1.761 1.00 0.00 H new ATOM 1250 N ASP A 78 0.429 -11.742 -4.534 1.00 0.00 N ATOM 1251 CA ASP A 78 1.702 -11.964 -5.210 1.00 0.00 C ATOM 1252 C ASP A 78 2.414 -10.641 -5.475 1.00 0.00 C ATOM 1253 O ASP A 78 3.641 -10.591 -5.565 1.00 0.00 O ATOM 1254 CB ASP A 78 1.482 -12.711 -6.526 1.00 0.00 C ATOM 1255 CG ASP A 78 0.913 -14.101 -6.315 1.00 0.00 C ATOM 1256 OD1 ASP A 78 0.122 -14.280 -5.364 1.00 0.00 O ATOM 1257 OD2 ASP A 78 1.257 -15.008 -7.100 1.00 0.00 O ATOM 0 H ASP A 78 -0.195 -11.092 -5.012 1.00 0.00 H new ATOM 0 HA ASP A 78 2.330 -12.571 -4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.805 -12.136 -7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.429 -12.787 -7.060 1.00 0.00 H new ATOM 1262 N LYS A 79 1.636 -9.571 -5.601 1.00 0.00 N ATOM 1263 CA LYS A 79 2.191 -8.247 -5.856 1.00 0.00 C ATOM 1264 C LYS A 79 2.616 -7.576 -4.554 1.00 0.00 C ATOM 1265 O LYS A 79 2.100 -7.893 -3.481 1.00 0.00 O ATOM 1266 CB LYS A 79 1.165 -7.373 -6.581 1.00 0.00 C ATOM 1267 CG LYS A 79 1.209 -7.511 -8.093 1.00 0.00 C ATOM 1268 CD LYS A 79 -0.160 -7.286 -8.713 1.00 0.00 C ATOM 1269 CE LYS A 79 -1.080 -8.473 -8.478 1.00 0.00 C ATOM 1270 NZ LYS A 79 -0.982 -9.478 -9.573 1.00 0.00 N ATOM 0 H LYS A 79 0.619 -9.595 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 79 3.071 -8.364 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 79 0.166 -7.632 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.336 -6.330 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.918 -6.793 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.571 -8.504 -8.358 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.609 -6.387 -8.290 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.052 -7.115 -9.784 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.828 -8.945 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.109 -8.124 -8.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.625 -10.271 -9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.247 -9.035 -10.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.006 -9.831 -9.634 1.00 0.00 H new ATOM 1284 N THR A 80 3.560 -6.645 -4.654 1.00 0.00 N ATOM 1285 CA THR A 80 4.055 -5.929 -3.485 1.00 0.00 C ATOM 1286 C THR A 80 4.173 -4.435 -3.765 1.00 0.00 C ATOM 1287 O THR A 80 4.276 -4.015 -4.917 1.00 0.00 O ATOM 1288 CB THR A 80 5.427 -6.465 -3.036 1.00 0.00 C ATOM 1289 OG1 THR A 80 6.307 -6.562 -4.162 1.00 0.00 O ATOM 1290 CG2 THR A 80 5.286 -7.829 -2.378 1.00 0.00 C ATOM 0 H THR A 80 3.997 -6.369 -5.533 1.00 0.00 H new ATOM 0 HA THR A 80 3.331 -6.091 -2.686 1.00 0.00 H new ATOM 0 HB THR A 80 5.844 -5.769 -2.308 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.178 -6.902 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.268 -8.187 -2.069 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.639 -7.747 -1.505 1.00 0.00 H new ATOM 0 HG23 THR A 80 4.850 -8.532 -3.088 1.00 0.00 H new ATOM 1298 N PHE A 81 4.157 -3.636 -2.703 1.00 0.00 N ATOM 1299 CA PHE A 81 4.262 -2.187 -2.834 1.00 0.00 C ATOM 1300 C PHE A 81 5.038 -1.590 -1.664 1.00 0.00 C ATOM 1301 O PHE A 81 4.567 -1.595 -0.527 1.00 0.00 O ATOM 1302 CB PHE A 81 2.870 -1.559 -2.912 1.00 0.00 C ATOM 1303 CG PHE A 81 2.191 -1.765 -4.236 1.00 0.00 C ATOM 1304 CD1 PHE A 81 1.741 -3.021 -4.610 1.00 0.00 C ATOM 1305 CD2 PHE A 81 2.005 -0.704 -5.107 1.00 0.00 C ATOM 1306 CE1 PHE A 81 1.116 -3.215 -5.828 1.00 0.00 C ATOM 1307 CE2 PHE A 81 1.381 -0.892 -6.326 1.00 0.00 C ATOM 1308 CZ PHE A 81 0.937 -2.149 -6.687 1.00 0.00 C ATOM 0 H PHE A 81 4.072 -3.967 -1.742 1.00 0.00 H new ATOM 0 HA PHE A 81 4.803 -1.968 -3.755 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.246 -1.980 -2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.951 -0.490 -2.717 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.880 -3.858 -3.942 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.351 0.281 -4.831 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.768 -4.199 -6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.241 -0.056 -6.996 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.451 -2.298 -7.640 1.00 0.00 H new ATOM 1318 N GLU A 82 6.230 -1.076 -1.952 1.00 0.00 N ATOM 1319 CA GLU A 82 7.071 -0.476 -0.924 1.00 0.00 C ATOM 1320 C GLU A 82 6.977 1.047 -0.964 1.00 0.00 C ATOM 1321 O GLU A 82 7.349 1.676 -1.955 1.00 0.00 O ATOM 1322 CB GLU A 82 8.526 -0.913 -1.105 1.00 0.00 C ATOM 1323 CG GLU A 82 9.380 -0.714 0.136 1.00 0.00 C ATOM 1324 CD GLU A 82 10.649 -1.545 0.111 1.00 0.00 C ATOM 1325 OE1 GLU A 82 10.705 -2.519 -0.668 1.00 0.00 O ATOM 1326 OE2 GLU A 82 11.585 -1.219 0.870 1.00 0.00 O ATOM 0 H GLU A 82 6.634 -1.063 -2.888 1.00 0.00 H new ATOM 0 HA GLU A 82 6.714 -0.819 0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.548 -1.966 -1.386 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.965 -0.353 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.642 0.340 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 82 8.797 -0.975 1.019 1.00 0.00 H new ATOM 1333 N ILE A 83 6.478 1.632 0.120 1.00 0.00 N ATOM 1334 CA ILE A 83 6.336 3.080 0.209 1.00 0.00 C ATOM 1335 C ILE A 83 7.074 3.631 1.424 1.00 0.00 C ATOM 1336 O ILE A 83 7.247 2.937 2.425 1.00 0.00 O ATOM 1337 CB ILE A 83 4.855 3.496 0.289 1.00 0.00 C ATOM 1338 CG1 ILE A 83 4.071 2.901 -0.882 1.00 0.00 C ATOM 1339 CG2 ILE A 83 4.731 5.012 0.301 1.00 0.00 C ATOM 1340 CD1 ILE A 83 2.607 2.672 -0.575 1.00 0.00 C ATOM 0 H ILE A 83 6.165 1.126 0.948 1.00 0.00 H new ATOM 0 HA ILE A 83 6.774 3.497 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 83 4.434 3.109 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.154 3.568 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 83 4.526 1.953 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.679 5.291 0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.260 5.413 1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.166 5.420 -0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.114 2.249 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.515 1.981 0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 83 2.137 3.621 -0.317 1.00 0.00 H new ATOM 1352 N SER A 84 7.506 4.884 1.329 1.00 0.00 N ATOM 1353 CA SER A 84 8.227 5.529 2.419 1.00 0.00 C ATOM 1354 C SER A 84 7.485 6.771 2.903 1.00 0.00 C ATOM 1355 O SER A 84 7.013 7.577 2.101 1.00 0.00 O ATOM 1356 CB SER A 84 9.640 5.908 1.970 1.00 0.00 C ATOM 1357 OG SER A 84 10.342 6.577 3.004 1.00 0.00 O ATOM 0 H SER A 84 7.369 5.473 0.508 1.00 0.00 H new ATOM 0 HA SER A 84 8.293 4.822 3.246 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.185 5.010 1.678 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.586 6.549 1.090 1.00 0.00 H new ATOM 0 HG SER A 84 11.090 7.080 2.619 1.00 0.00 H new ATOM 1363 N ALA A 85 7.386 6.918 4.220 1.00 0.00 N ATOM 1364 CA ALA A 85 6.703 8.062 4.811 1.00 0.00 C ATOM 1365 C ALA A 85 7.696 9.148 5.211 1.00 0.00 C ATOM 1366 O ALA A 85 8.897 8.898 5.309 1.00 0.00 O ATOM 1367 CB ALA A 85 5.885 7.623 6.017 1.00 0.00 C ATOM 0 H ALA A 85 7.770 6.259 4.898 1.00 0.00 H new ATOM 0 HA ALA A 85 6.031 8.479 4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.380 8.487 6.448 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.143 6.888 5.705 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.545 7.179 6.762 1.00 0.00 H new ATOM 1373 N SER A 86 7.187 10.354 5.441 1.00 0.00 N ATOM 1374 CA SER A 86 8.030 11.480 5.825 1.00 0.00 C ATOM 1375 C SER A 86 8.262 11.494 7.333 1.00 0.00 C ATOM 1376 O SER A 86 9.402 11.474 7.797 1.00 0.00 O ATOM 1377 CB SER A 86 7.391 12.798 5.384 1.00 0.00 C ATOM 1378 OG SER A 86 8.293 13.879 5.541 1.00 0.00 O ATOM 0 H SER A 86 6.194 10.576 5.368 1.00 0.00 H new ATOM 0 HA SER A 86 8.993 11.368 5.327 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.083 12.726 4.341 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.491 12.983 5.970 1.00 0.00 H new ATOM 0 HG SER A 86 7.862 14.710 5.251 1.00 0.00 H new ATOM 1384 N ASP A 87 7.173 11.529 8.093 1.00 0.00 N ATOM 1385 CA ASP A 87 7.256 11.545 9.548 1.00 0.00 C ATOM 1386 C ASP A 87 6.418 10.422 10.153 1.00 0.00 C ATOM 1387 O ASP A 87 5.762 9.667 9.435 1.00 0.00 O ATOM 1388 CB ASP A 87 6.789 12.896 10.092 1.00 0.00 C ATOM 1389 CG ASP A 87 7.477 13.266 11.391 1.00 0.00 C ATOM 1390 OD1 ASP A 87 8.597 12.768 11.632 1.00 0.00 O ATOM 1391 OD2 ASP A 87 6.896 14.053 12.168 1.00 0.00 O ATOM 0 H ASP A 87 6.222 11.547 7.725 1.00 0.00 H new ATOM 0 HA ASP A 87 8.297 11.389 9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.982 13.670 9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.711 12.868 10.250 1.00 0.00 H new ATOM 1396 N LYS A 88 6.445 10.318 11.477 1.00 0.00 N ATOM 1397 CA LYS A 88 5.688 9.289 12.180 1.00 0.00 C ATOM 1398 C LYS A 88 4.190 9.462 11.950 1.00 0.00 C ATOM 1399 O LYS A 88 3.451 8.483 11.843 1.00 0.00 O ATOM 1400 CB LYS A 88 5.994 9.336 13.679 1.00 0.00 C ATOM 1401 CG LYS A 88 7.437 9.005 14.016 1.00 0.00 C ATOM 1402 CD LYS A 88 7.611 8.714 15.497 1.00 0.00 C ATOM 1403 CE LYS A 88 7.325 7.254 15.815 1.00 0.00 C ATOM 1404 NZ LYS A 88 6.971 7.057 17.248 1.00 0.00 N ATOM 0 H LYS A 88 6.984 10.934 12.086 1.00 0.00 H new ATOM 0 HA LYS A 88 5.988 8.319 11.784 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.760 10.331 14.058 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.339 8.636 14.197 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.758 8.141 13.434 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.079 9.838 13.730 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.628 8.961 15.800 1.00 0.00 H new ATOM 0 HD3 LYS A 88 6.942 9.351 16.075 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.508 6.899 15.187 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.200 6.651 15.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.783 6.049 17.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.761 7.372 17.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.121 7.612 17.475 1.00 0.00 H new ATOM 1418 N LYS A 89 3.749 10.713 11.873 1.00 0.00 N ATOM 1419 CA LYS A 89 2.340 11.015 11.653 1.00 0.00 C ATOM 1420 C LYS A 89 1.824 10.321 10.396 1.00 0.00 C ATOM 1421 O LYS A 89 0.903 9.506 10.458 1.00 0.00 O ATOM 1422 CB LYS A 89 2.134 12.527 11.533 1.00 0.00 C ATOM 1423 CG LYS A 89 0.731 12.981 11.897 1.00 0.00 C ATOM 1424 CD LYS A 89 0.493 12.911 13.396 1.00 0.00 C ATOM 1425 CE LYS A 89 1.028 14.147 14.103 1.00 0.00 C ATOM 1426 NZ LYS A 89 0.078 15.290 14.018 1.00 0.00 N ATOM 0 H LYS A 89 4.348 11.534 11.960 1.00 0.00 H new ATOM 0 HA LYS A 89 1.777 10.644 12.509 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.850 13.035 12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.353 12.835 10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.577 14.003 11.551 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.001 12.357 11.382 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.575 12.812 13.592 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.975 12.021 13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.220 13.912 15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.982 14.434 13.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.479 16.113 14.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.086 15.532 13.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.824 15.026 14.463 1.00 0.00 H new ATOM 1440 N LYS A 90 2.424 10.647 9.257 1.00 0.00 N ATOM 1441 CA LYS A 90 2.028 10.053 7.985 1.00 0.00 C ATOM 1442 C LYS A 90 2.157 8.533 8.031 1.00 0.00 C ATOM 1443 O LYS A 90 1.173 7.811 7.870 1.00 0.00 O ATOM 1444 CB LYS A 90 2.885 10.614 6.848 1.00 0.00 C ATOM 1445 CG LYS A 90 2.288 11.845 6.188 1.00 0.00 C ATOM 1446 CD LYS A 90 2.085 12.971 7.188 1.00 0.00 C ATOM 1447 CE LYS A 90 1.801 14.292 6.490 1.00 0.00 C ATOM 1448 NZ LYS A 90 2.215 15.458 7.319 1.00 0.00 N ATOM 0 H LYS A 90 3.187 11.320 9.188 1.00 0.00 H new ATOM 0 HA LYS A 90 0.984 10.306 7.803 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.872 10.863 7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.026 9.840 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.944 12.183 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.333 11.587 5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.257 12.724 7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.974 13.071 7.810 1.00 0.00 H new ATOM 0 HE2 LYS A 90 2.328 14.319 5.536 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.736 14.364 6.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.005 16.339 6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.694 15.447 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.236 15.403 7.510 1.00 0.00 H new ATOM 1462 N LYS A 91 3.377 8.054 8.253 1.00 0.00 N ATOM 1463 CA LYS A 91 3.635 6.621 8.323 1.00 0.00 C ATOM 1464 C LYS A 91 2.492 5.896 9.026 1.00 0.00 C ATOM 1465 O LYS A 91 1.844 5.028 8.442 1.00 0.00 O ATOM 1466 CB LYS A 91 4.951 6.355 9.057 1.00 0.00 C ATOM 1467 CG LYS A 91 5.318 4.883 9.133 1.00 0.00 C ATOM 1468 CD LYS A 91 4.523 4.163 10.209 1.00 0.00 C ATOM 1469 CE LYS A 91 5.305 2.999 10.796 1.00 0.00 C ATOM 1470 NZ LYS A 91 6.559 3.451 11.460 1.00 0.00 N ATOM 0 H LYS A 91 4.202 8.638 8.387 1.00 0.00 H new ATOM 0 HA LYS A 91 3.711 6.240 7.305 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.753 6.895 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.881 6.756 10.068 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.135 4.411 8.168 1.00 0.00 H new ATOM 0 HG3 LYS A 91 6.384 4.783 9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 91 4.263 4.865 11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.587 3.798 9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.682 2.470 11.518 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.548 2.290 10.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.568 3.121 12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.380 3.058 10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.606 4.490 11.442 1.00 0.00 H new ATOM 1484 N GLN A 92 2.251 6.259 10.282 1.00 0.00 N ATOM 1485 CA GLN A 92 1.186 5.642 11.064 1.00 0.00 C ATOM 1486 C GLN A 92 -0.181 5.959 10.466 1.00 0.00 C ATOM 1487 O GLN A 92 -0.883 5.067 9.991 1.00 0.00 O ATOM 1488 CB GLN A 92 1.245 6.123 12.515 1.00 0.00 C ATOM 1489 CG GLN A 92 0.107 5.599 13.376 1.00 0.00 C ATOM 1490 CD GLN A 92 0.372 5.771 14.859 1.00 0.00 C ATOM 1491 OE1 GLN A 92 0.907 4.876 15.513 1.00 0.00 O ATOM 1492 NE2 GLN A 92 -0.004 6.925 15.398 1.00 0.00 N ATOM 0 H GLN A 92 2.778 6.977 10.779 1.00 0.00 H new ATOM 0 HA GLN A 92 1.331 4.562 11.041 1.00 0.00 H new ATOM 0 HB2 GLN A 92 2.194 5.813 12.953 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.228 7.213 12.529 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.813 6.120 13.112 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.051 4.543 13.159 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.444 7.639 14.818 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.147 7.097 16.392 1.00 0.00 H new ATOM 1501 N GLU A 93 -0.552 7.236 10.493 1.00 0.00 N ATOM 1502 CA GLU A 93 -1.836 7.669 9.954 1.00 0.00 C ATOM 1503 C GLU A 93 -2.184 6.893 8.687 1.00 0.00 C ATOM 1504 O GLU A 93 -3.354 6.631 8.409 1.00 0.00 O ATOM 1505 CB GLU A 93 -1.809 9.170 9.655 1.00 0.00 C ATOM 1506 CG GLU A 93 -1.814 10.038 10.902 1.00 0.00 C ATOM 1507 CD GLU A 93 -3.204 10.225 11.477 1.00 0.00 C ATOM 1508 OE1 GLU A 93 -4.172 10.267 10.689 1.00 0.00 O ATOM 1509 OE2 GLU A 93 -3.324 10.330 12.716 1.00 0.00 O ATOM 0 H GLU A 93 0.018 7.987 10.882 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.602 7.469 10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.921 9.399 9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.673 9.425 9.041 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.170 9.586 11.657 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.390 11.013 10.663 1.00 0.00 H new ATOM 1516 N TRP A 94 -1.160 6.531 7.923 1.00 0.00 N ATOM 1517 CA TRP A 94 -1.357 5.786 6.684 1.00 0.00 C ATOM 1518 C TRP A 94 -1.593 4.307 6.971 1.00 0.00 C ATOM 1519 O TRP A 94 -2.682 3.785 6.732 1.00 0.00 O ATOM 1520 CB TRP A 94 -0.146 5.954 5.766 1.00 0.00 C ATOM 1521 CG TRP A 94 -0.265 7.121 4.833 1.00 0.00 C ATOM 1522 CD1 TRP A 94 0.237 8.376 5.022 1.00 0.00 C ATOM 1523 CD2 TRP A 94 -0.931 7.140 3.565 1.00 0.00 C ATOM 1524 NE1 TRP A 94 -0.077 9.175 3.949 1.00 0.00 N ATOM 1525 CE2 TRP A 94 -0.792 8.440 3.041 1.00 0.00 C ATOM 1526 CE3 TRP A 94 -1.629 6.185 2.821 1.00 0.00 C ATOM 1527 CZ2 TRP A 94 -1.327 8.806 1.809 1.00 0.00 C ATOM 1528 CZ3 TRP A 94 -2.160 6.550 1.599 1.00 0.00 C ATOM 1529 CH2 TRP A 94 -2.006 7.851 1.102 1.00 0.00 C ATOM 0 H TRP A 94 -0.185 6.741 8.139 1.00 0.00 H new ATOM 0 HA TRP A 94 -2.240 6.185 6.185 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.749 6.076 6.376 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.013 5.043 5.182 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.799 8.694 5.888 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.181 10.156 3.846 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -1.751 5.179 3.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.210 9.809 1.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.703 5.820 1.017 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -2.431 8.105 0.142 1.00 0.00 H new ATOM 1540 N ILE A 95 -0.566 3.637 7.483 1.00 0.00 N ATOM 1541 CA ILE A 95 -0.663 2.218 7.802 1.00 0.00 C ATOM 1542 C ILE A 95 -1.970 1.905 8.522 1.00 0.00 C ATOM 1543 O ILE A 95 -2.625 0.904 8.232 1.00 0.00 O ATOM 1544 CB ILE A 95 0.516 1.756 8.678 1.00 0.00 C ATOM 1545 CG1 ILE A 95 1.837 1.920 7.923 1.00 0.00 C ATOM 1546 CG2 ILE A 95 0.322 0.310 9.109 1.00 0.00 C ATOM 1547 CD1 ILE A 95 3.040 1.426 8.695 1.00 0.00 C ATOM 0 H ILE A 95 0.343 4.054 7.686 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.634 1.679 6.855 1.00 0.00 H new ATOM 0 HB ILE A 95 0.550 2.379 9.572 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.775 1.380 6.978 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.979 2.973 7.680 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.164 -0.001 9.727 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.601 0.222 9.682 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.264 -0.328 8.227 1.00 0.00 H new ATOM 0 HD11 ILE A 95 3.941 1.574 8.099 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.127 1.983 9.628 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.921 0.365 8.915 1.00 0.00 H new ATOM 1559 N GLN A 96 -2.344 2.768 9.461 1.00 0.00 N ATOM 1560 CA GLN A 96 -3.574 2.584 10.222 1.00 0.00 C ATOM 1561 C GLN A 96 -4.787 2.560 9.298 1.00 0.00 C ATOM 1562 O GLN A 96 -5.619 1.657 9.373 1.00 0.00 O ATOM 1563 CB GLN A 96 -3.729 3.698 11.258 1.00 0.00 C ATOM 1564 CG GLN A 96 -3.054 3.392 12.586 1.00 0.00 C ATOM 1565 CD GLN A 96 -3.961 2.643 13.543 1.00 0.00 C ATOM 1566 OE1 GLN A 96 -4.291 1.478 13.319 1.00 0.00 O ATOM 1567 NE2 GLN A 96 -4.368 3.309 14.617 1.00 0.00 N ATOM 0 H GLN A 96 -1.813 3.602 9.713 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.513 1.625 10.737 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.313 4.620 10.853 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.790 3.876 11.432 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.156 2.801 12.405 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.734 4.325 13.050 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.070 4.273 14.762 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.979 2.856 15.297 1.00 0.00 H new ATOM 1576 N ALA A 97 -4.881 3.560 8.428 1.00 0.00 N ATOM 1577 CA ALA A 97 -5.992 3.654 7.488 1.00 0.00 C ATOM 1578 C ALA A 97 -6.002 2.466 6.532 1.00 0.00 C ATOM 1579 O ALA A 97 -7.041 1.842 6.314 1.00 0.00 O ATOM 1580 CB ALA A 97 -5.917 4.959 6.711 1.00 0.00 C ATOM 0 H ALA A 97 -4.201 4.317 8.354 1.00 0.00 H new ATOM 0 HA ALA A 97 -6.921 3.637 8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.752 5.016 6.013 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.966 5.799 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.979 5.000 6.158 1.00 0.00 H new ATOM 1586 N ILE A 98 -4.841 2.160 5.963 1.00 0.00 N ATOM 1587 CA ILE A 98 -4.718 1.047 5.030 1.00 0.00 C ATOM 1588 C ILE A 98 -5.158 -0.263 5.676 1.00 0.00 C ATOM 1589 O ILE A 98 -5.946 -1.016 5.102 1.00 0.00 O ATOM 1590 CB ILE A 98 -3.272 0.895 4.523 1.00 0.00 C ATOM 1591 CG1 ILE A 98 -2.801 2.192 3.862 1.00 0.00 C ATOM 1592 CG2 ILE A 98 -3.172 -0.269 3.548 1.00 0.00 C ATOM 1593 CD1 ILE A 98 -1.296 2.313 3.771 1.00 0.00 C ATOM 0 H ILE A 98 -3.972 2.667 6.132 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.370 1.270 4.185 1.00 0.00 H new ATOM 0 HB ILE A 98 -2.624 0.687 5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -3.223 2.253 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.192 3.040 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -2.144 -0.364 3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -3.471 -1.190 4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -3.829 -0.089 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.035 3.257 3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.867 2.284 4.773 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.899 1.485 3.183 1.00 0.00 H new ATOM 1605 N HIS A 99 -4.646 -0.528 6.873 1.00 0.00 N ATOM 1606 CA HIS A 99 -4.989 -1.746 7.599 1.00 0.00 C ATOM 1607 C HIS A 99 -6.495 -1.838 7.826 1.00 0.00 C ATOM 1608 O HIS A 99 -7.110 -2.871 7.565 1.00 0.00 O ATOM 1609 CB HIS A 99 -4.255 -1.789 8.940 1.00 0.00 C ATOM 1610 CG HIS A 99 -3.995 -3.178 9.435 1.00 0.00 C ATOM 1611 ND1 HIS A 99 -2.924 -3.501 10.242 1.00 0.00 N ATOM 1612 CD2 HIS A 99 -4.675 -4.331 9.236 1.00 0.00 C ATOM 1613 CE1 HIS A 99 -2.956 -4.793 10.515 1.00 0.00 C ATOM 1614 NE2 HIS A 99 -4.009 -5.320 9.918 1.00 0.00 N ATOM 0 H HIS A 99 -3.992 0.084 7.361 1.00 0.00 H new ATOM 0 HA HIS A 99 -4.678 -2.599 6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.305 -1.263 8.842 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.842 -1.251 9.684 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -5.574 -4.451 8.650 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.242 -5.328 11.124 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -4.283 -6.302 9.957 1.00 0.00 H new ATOM 1623 N SER A 100 -7.082 -0.750 8.315 1.00 0.00 N ATOM 1624 CA SER A 100 -8.515 -0.709 8.582 1.00 0.00 C ATOM 1625 C SER A 100 -9.313 -0.882 7.293 1.00 0.00 C ATOM 1626 O SER A 100 -10.296 -1.622 7.251 1.00 0.00 O ATOM 1627 CB SER A 100 -8.892 0.611 9.256 1.00 0.00 C ATOM 1628 OG SER A 100 -8.046 1.664 8.826 1.00 0.00 O ATOM 0 H SER A 100 -6.587 0.115 8.534 1.00 0.00 H new ATOM 0 HA SER A 100 -8.758 -1.533 9.253 1.00 0.00 H new ATOM 0 HB2 SER A 100 -9.929 0.857 9.027 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.822 0.503 10.338 1.00 0.00 H new ATOM 0 HG SER A 100 -7.272 1.727 9.424 1.00 0.00 H new ATOM 1634 N THR A 101 -8.882 -0.193 6.241 1.00 0.00 N ATOM 1635 CA THR A 101 -9.555 -0.267 4.950 1.00 0.00 C ATOM 1636 C THR A 101 -9.751 -1.715 4.516 1.00 0.00 C ATOM 1637 O THR A 101 -10.791 -2.071 3.960 1.00 0.00 O ATOM 1638 CB THR A 101 -8.765 0.481 3.860 1.00 0.00 C ATOM 1639 OG1 THR A 101 -8.665 1.870 4.194 1.00 0.00 O ATOM 1640 CG2 THR A 101 -9.436 0.328 2.504 1.00 0.00 C ATOM 0 H THR A 101 -8.069 0.423 6.258 1.00 0.00 H new ATOM 0 HA THR A 101 -10.528 0.209 5.073 1.00 0.00 H new ATOM 0 HB THR A 101 -7.766 0.048 3.804 1.00 0.00 H new ATOM 0 HG1 THR A 101 -8.148 1.971 5.021 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.860 0.865 1.750 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.485 -0.728 2.239 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.445 0.738 2.549 1.00 0.00 H new ATOM 1648 N ILE A 102 -8.747 -2.547 4.773 1.00 0.00 N ATOM 1649 CA ILE A 102 -8.812 -3.957 4.409 1.00 0.00 C ATOM 1650 C ILE A 102 -9.783 -4.713 5.309 1.00 0.00 C ATOM 1651 O ILE A 102 -10.642 -5.453 4.830 1.00 0.00 O ATOM 1652 CB ILE A 102 -7.426 -4.624 4.494 1.00 0.00 C ATOM 1653 CG1 ILE A 102 -6.455 -3.958 3.516 1.00 0.00 C ATOM 1654 CG2 ILE A 102 -7.537 -6.114 4.207 1.00 0.00 C ATOM 1655 CD1 ILE A 102 -5.006 -4.068 3.935 1.00 0.00 C ATOM 0 H ILE A 102 -7.879 -2.269 5.232 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.166 -4.001 3.379 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.039 -4.497 5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -6.576 -4.411 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.717 -2.905 3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.550 -6.571 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -8.199 -6.577 4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.942 -6.263 3.206 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.375 -3.574 3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -4.870 -3.590 4.905 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.727 -5.119 4.006 1.00 0.00 H new ATOM 1667 N HIS A 103 -9.642 -4.520 6.617 1.00 0.00 N ATOM 1668 CA HIS A 103 -10.509 -5.182 7.585 1.00 0.00 C ATOM 1669 C HIS A 103 -11.963 -5.151 7.123 1.00 0.00 C ATOM 1670 O HIS A 103 -12.672 -6.155 7.201 1.00 0.00 O ATOM 1671 CB HIS A 103 -10.383 -4.514 8.955 1.00 0.00 C ATOM 1672 CG HIS A 103 -11.357 -5.033 9.967 1.00 0.00 C ATOM 1673 ND1 HIS A 103 -10.975 -5.513 11.202 1.00 0.00 N ATOM 1674 CD2 HIS A 103 -12.705 -5.145 9.922 1.00 0.00 C ATOM 1675 CE1 HIS A 103 -12.046 -5.899 11.872 1.00 0.00 C ATOM 1676 NE2 HIS A 103 -13.109 -5.686 11.117 1.00 0.00 N ATOM 0 H HIS A 103 -8.936 -3.911 7.030 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.194 -6.222 7.666 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.370 -4.661 9.330 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.528 -3.440 8.841 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.344 -4.861 9.099 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -12.052 -6.318 12.868 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -14.073 -5.890 11.379 1.00 0.00 H new ATOM 1685 N LEU A 104 -12.401 -3.992 6.643 1.00 0.00 N ATOM 1686 CA LEU A 104 -13.771 -3.829 6.169 1.00 0.00 C ATOM 1687 C LEU A 104 -14.121 -4.898 5.139 1.00 0.00 C ATOM 1688 O LEU A 104 -15.247 -5.396 5.102 1.00 0.00 O ATOM 1689 CB LEU A 104 -13.960 -2.438 5.562 1.00 0.00 C ATOM 1690 CG LEU A 104 -13.652 -1.257 6.482 1.00 0.00 C ATOM 1691 CD1 LEU A 104 -13.756 0.055 5.720 1.00 0.00 C ATOM 1692 CD2 LEU A 104 -14.589 -1.256 7.681 1.00 0.00 C ATOM 0 H LEU A 104 -11.827 -3.152 6.572 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.440 -3.940 7.022 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.326 -2.360 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -14.992 -2.349 5.223 1.00 0.00 H new ATOM 0 HG LEU A 104 -12.630 -1.362 6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.533 0.884 6.391 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -13.043 0.054 4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -14.766 0.168 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -14.355 -0.408 8.325 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.620 -1.177 7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.464 -2.183 8.241 1.00 0.00 H new ATOM 1704 N LEU A 105 -13.149 -5.248 4.304 1.00 0.00 N ATOM 1705 CA LEU A 105 -13.353 -6.261 3.273 1.00 0.00 C ATOM 1706 C LEU A 105 -13.471 -7.650 3.891 1.00 0.00 C ATOM 1707 O LEU A 105 -14.145 -8.527 3.349 1.00 0.00 O ATOM 1708 CB LEU A 105 -12.200 -6.233 2.268 1.00 0.00 C ATOM 1709 CG LEU A 105 -12.292 -5.172 1.171 1.00 0.00 C ATOM 1710 CD1 LEU A 105 -10.969 -5.056 0.429 1.00 0.00 C ATOM 1711 CD2 LEU A 105 -13.420 -5.500 0.204 1.00 0.00 C ATOM 0 H LEU A 105 -12.212 -4.846 4.320 1.00 0.00 H new ATOM 0 HA LEU A 105 -14.284 -6.034 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -11.270 -6.081 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -12.134 -7.212 1.794 1.00 0.00 H new ATOM 0 HG LEU A 105 -12.509 -4.212 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -11.053 -4.296 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.183 -4.774 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.722 -6.015 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -13.470 -4.734 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -13.233 -6.470 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -14.366 -5.532 0.745 1.00 0.00 H new ATOM 1723 N LYS A 106 -12.814 -7.844 5.029 1.00 0.00 N ATOM 1724 CA LYS A 106 -12.847 -9.126 5.724 1.00 0.00 C ATOM 1725 C LYS A 106 -14.264 -9.462 6.177 1.00 0.00 C ATOM 1726 O LYS A 106 -14.708 -10.606 6.062 1.00 0.00 O ATOM 1727 CB LYS A 106 -11.907 -9.099 6.932 1.00 0.00 C ATOM 1728 CG LYS A 106 -10.442 -8.961 6.559 1.00 0.00 C ATOM 1729 CD LYS A 106 -9.551 -8.951 7.790 1.00 0.00 C ATOM 1730 CE LYS A 106 -8.099 -8.686 7.425 1.00 0.00 C ATOM 1731 NZ LYS A 106 -7.367 -7.998 8.525 1.00 0.00 N ATOM 0 H LYS A 106 -12.251 -7.129 5.490 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.514 -9.897 5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.188 -8.270 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.042 -10.015 7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.153 -9.785 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.295 -8.040 5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.898 -8.186 8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.629 -9.909 8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -7.605 -9.630 7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.057 -8.075 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.381 -7.835 8.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.823 -7.086 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.385 -8.592 9.379 1.00 0.00 H new