USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 831 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 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 ASN : amide:sc= -0.679 K(o=-0.68,f=-4.1!) USER MOD Set 2.1: A 34 HIS : no HE2:sc= 0.538 K(o=0.6,f=-2.2!) USER MOD Set 2.2: A 39 THR OG1 : rot 180:sc= 0.0616 USER MOD Single : A 2 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.86) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 23 SER OG : rot 0:sc= 1.12 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.46 X(o=0.46,f=0) USER MOD Single : A 40 CYS SG : rot 180:sc= -0.177 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 1.18 K(o=1.2,f=-0.68) USER MOD Single : A 55 GLN : amide:sc= -0.915 K(o=-0.92,f=0) USER MOD Single : A 57 TYR OH : rot 174:sc= 1.22 USER MOD Single : A 61 LYS NZ :NH3+ -111:sc= 0.22 (180deg=-0.582) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 165:sc= 0 (180deg=-0.376) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 88:sc= 0.039 USER MOD Single : A 92 THR OG1 : rot 136:sc= 1.29 USER MOD Single : A 99 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.2) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 2.111 -20.093 1.448 1.00 0.00 N ATOM 9 CA HIS A 2 1.910 -18.675 1.755 1.00 0.00 C ATOM 10 C HIS A 2 2.232 -18.359 3.233 1.00 0.00 C ATOM 11 O HIS A 2 2.775 -19.199 3.957 1.00 0.00 O ATOM 12 CB HIS A 2 0.521 -18.199 1.262 1.00 0.00 C ATOM 13 CG HIS A 2 0.369 -18.100 -0.234 1.00 0.00 C ATOM 14 ND1 HIS A 2 0.438 -19.112 -1.165 1.00 0.00 N ATOM 15 CD2 HIS A 2 0.096 -16.944 -0.905 1.00 0.00 C ATOM 16 CE1 HIS A 2 0.262 -18.557 -2.378 1.00 0.00 C ATOM 17 NE2 HIS A 2 0.068 -17.230 -2.270 1.00 0.00 N ATOM 0 HA HIS A 2 2.630 -18.079 1.195 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.236 -18.884 1.643 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.314 -17.221 1.697 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.070 -15.975 -0.457 1.00 0.00 H new ATOM 0 HE1 HIS A 2 0.275 -19.102 -3.310 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.071 -16.567 -3.032 1.00 0.00 H new ATOM 25 N VAL A 3 2.021 -17.115 3.653 1.00 0.00 N ATOM 26 CA VAL A 3 2.288 -16.580 4.983 1.00 0.00 C ATOM 27 C VAL A 3 1.164 -15.609 5.321 1.00 0.00 C ATOM 28 O VAL A 3 0.971 -14.643 4.581 1.00 0.00 O ATOM 29 CB VAL A 3 3.659 -15.867 5.032 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.662 -16.769 5.753 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.224 -15.446 3.671 1.00 0.00 C ATOM 0 H VAL A 3 1.633 -16.407 3.030 1.00 0.00 H new ATOM 0 HA VAL A 3 2.326 -17.390 5.712 1.00 0.00 H new ATOM 0 HB VAL A 3 3.494 -14.934 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.633 -16.275 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.312 -16.964 6.767 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.757 -17.712 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.187 -14.955 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.355 -16.327 3.043 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.533 -14.756 3.188 1.00 0.00 H new ATOM 41 N GLN A 4 0.370 -15.891 6.358 1.00 0.00 N ATOM 42 CA GLN A 4 -0.719 -15.012 6.749 1.00 0.00 C ATOM 43 C GLN A 4 -0.130 -13.703 7.273 1.00 0.00 C ATOM 44 O GLN A 4 0.882 -13.710 7.986 1.00 0.00 O ATOM 45 CB GLN A 4 -1.628 -15.687 7.791 1.00 0.00 C ATOM 46 CG GLN A 4 -3.044 -15.108 7.682 1.00 0.00 C ATOM 47 CD GLN A 4 -3.973 -15.471 8.830 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.584 -15.525 9.995 1.00 0.00 O ATOM 49 NE2 GLN A 4 -5.234 -15.739 8.531 1.00 0.00 N ATOM 0 H GLN A 4 0.467 -16.724 6.938 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.346 -14.797 5.884 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.650 -16.764 7.627 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.233 -15.525 8.794 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.973 -14.022 7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.491 -15.452 6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.549 -15.692 7.562 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.890 -15.992 9.269 1.00 0.00 H new ATOM 58 N LEU A 5 -0.760 -12.583 6.932 1.00 0.00 N ATOM 59 CA LEU A 5 -0.445 -11.252 7.407 1.00 0.00 C ATOM 60 C LEU A 5 -1.752 -10.549 7.673 1.00 0.00 C ATOM 61 O LEU A 5 -2.522 -10.281 6.747 1.00 0.00 O ATOM 62 CB LEU A 5 0.375 -10.441 6.384 1.00 0.00 C ATOM 63 CG LEU A 5 1.783 -10.973 6.076 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.444 -10.079 5.027 1.00 0.00 C ATOM 65 CD2 LEU A 5 2.704 -10.980 7.296 1.00 0.00 C ATOM 0 H LEU A 5 -1.546 -12.587 6.281 1.00 0.00 H new ATOM 0 HA LEU A 5 0.165 -11.333 8.307 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.187 -10.396 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.467 -9.418 6.750 1.00 0.00 H new ATOM 0 HG LEU A 5 1.652 -11.998 5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.443 -10.454 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.846 -10.083 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.515 -9.061 5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.682 -11.367 7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.812 -9.964 7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.275 -11.614 8.072 1.00 0.00 H new ATOM 77 N SER A 6 -1.968 -10.213 8.936 1.00 0.00 N ATOM 78 CA SER A 6 -2.944 -9.204 9.248 1.00 0.00 C ATOM 79 C SER A 6 -2.327 -7.825 8.998 1.00 0.00 C ATOM 80 O SER A 6 -1.102 -7.678 8.893 1.00 0.00 O ATOM 81 CB SER A 6 -3.378 -9.356 10.691 1.00 0.00 C ATOM 82 OG SER A 6 -3.853 -10.654 10.999 1.00 0.00 O ATOM 0 H SER A 6 -1.488 -10.619 9.739 1.00 0.00 H new ATOM 0 HA SER A 6 -3.824 -9.313 8.614 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.537 -9.120 11.343 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.161 -8.629 10.906 1.00 0.00 H new ATOM 0 HG SER A 6 -4.116 -10.691 11.942 1.00 0.00 H new ATOM 88 N LEU A 7 -3.187 -6.815 8.903 1.00 0.00 N ATOM 89 CA LEU A 7 -2.860 -5.407 8.763 1.00 0.00 C ATOM 90 C LEU A 7 -3.897 -4.610 9.552 1.00 0.00 C ATOM 91 O LEU A 7 -5.043 -5.051 9.622 1.00 0.00 O ATOM 92 CB LEU A 7 -2.985 -4.992 7.288 1.00 0.00 C ATOM 93 CG LEU A 7 -2.031 -5.700 6.314 1.00 0.00 C ATOM 94 CD1 LEU A 7 -2.493 -5.376 4.893 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.579 -5.250 6.526 1.00 0.00 C ATOM 0 H LEU A 7 -4.195 -6.973 8.924 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.846 -5.224 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.009 -5.176 6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.816 -3.917 7.216 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.056 -6.776 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.834 -5.865 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.513 -5.734 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.462 -4.298 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.070 -5.770 5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.504 -4.175 6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.270 -5.485 7.545 1.00 0.00 H new ATOM 107 N PRO A 8 -3.565 -3.424 10.078 1.00 0.00 N ATOM 108 CA PRO A 8 -4.566 -2.448 10.484 1.00 0.00 C ATOM 109 C PRO A 8 -5.267 -1.862 9.244 1.00 0.00 C ATOM 110 O PRO A 8 -4.718 -1.890 8.140 1.00 0.00 O ATOM 111 CB PRO A 8 -3.774 -1.392 11.250 1.00 0.00 C ATOM 112 CG PRO A 8 -2.404 -1.403 10.579 1.00 0.00 C ATOM 113 CD PRO A 8 -2.227 -2.867 10.188 1.00 0.00 C ATOM 0 HA PRO A 8 -5.360 -2.873 11.099 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.245 -0.411 11.181 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.702 -1.637 12.310 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.375 -0.746 9.709 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.619 -1.068 11.257 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.690 -2.955 9.243 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.643 -3.402 10.937 1.00 0.00 H new ATOM 121 N VAL A 9 -6.449 -1.283 9.431 1.00 0.00 N ATOM 122 CA VAL A 9 -7.184 -0.482 8.459 1.00 0.00 C ATOM 123 C VAL A 9 -7.162 0.940 9.009 1.00 0.00 C ATOM 124 O VAL A 9 -7.395 1.131 10.206 1.00 0.00 O ATOM 125 CB VAL A 9 -8.633 -0.989 8.267 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.269 -0.370 7.017 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.706 -2.518 8.102 1.00 0.00 C ATOM 0 H VAL A 9 -6.948 -1.365 10.317 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.727 -0.543 7.471 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.169 -0.693 9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.287 -0.742 6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.289 0.715 7.118 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.684 -0.642 6.138 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.745 -2.821 7.971 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.128 -2.818 7.228 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.297 -3.000 8.990 1.00 0.00 H new ATOM 137 N LEU A 10 -6.856 1.915 8.155 1.00 0.00 N ATOM 138 CA LEU A 10 -6.619 3.304 8.531 1.00 0.00 C ATOM 139 C LEU A 10 -7.525 4.199 7.684 1.00 0.00 C ATOM 140 O LEU A 10 -7.692 3.951 6.484 1.00 0.00 O ATOM 141 CB LEU A 10 -5.141 3.649 8.302 1.00 0.00 C ATOM 142 CG LEU A 10 -4.139 2.958 9.248 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.718 3.035 8.681 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.169 3.599 10.638 1.00 0.00 C ATOM 0 H LEU A 10 -6.764 1.753 7.152 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.847 3.460 9.585 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.881 3.390 7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.019 4.728 8.399 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.433 1.912 9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.027 2.541 9.364 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.686 2.539 7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.429 4.079 8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.454 3.094 11.287 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.905 4.654 10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.170 3.506 11.060 1.00 0.00 H new ATOM 156 N GLN A 11 -8.124 5.225 8.294 1.00 0.00 N ATOM 157 CA GLN A 11 -9.047 6.134 7.622 1.00 0.00 C ATOM 158 C GLN A 11 -8.293 6.892 6.539 1.00 0.00 C ATOM 159 O GLN A 11 -7.178 7.366 6.752 1.00 0.00 O ATOM 160 CB GLN A 11 -9.656 7.134 8.622 1.00 0.00 C ATOM 161 CG GLN A 11 -11.007 6.717 9.185 1.00 0.00 C ATOM 162 CD GLN A 11 -12.160 7.417 8.492 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.243 8.645 8.383 1.00 0.00 O ATOM 164 NE2 GLN A 11 -13.054 6.619 7.964 1.00 0.00 N ATOM 0 H GLN A 11 -7.978 5.448 9.279 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.857 5.553 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.959 7.273 9.448 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.764 8.101 8.130 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.124 5.638 9.081 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -11.038 6.939 10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.961 5.609 8.069 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.843 7.008 7.448 1.00 0.00 H new ATOM 173 N VAL A 12 -8.949 7.169 5.414 1.00 0.00 N ATOM 174 CA VAL A 12 -8.373 7.992 4.362 1.00 0.00 C ATOM 175 C VAL A 12 -8.255 9.468 4.824 1.00 0.00 C ATOM 176 O VAL A 12 -7.788 10.319 4.073 1.00 0.00 O ATOM 177 CB VAL A 12 -9.171 7.761 3.056 1.00 0.00 C ATOM 178 CG1 VAL A 12 -10.449 8.602 2.985 1.00 0.00 C ATOM 179 CG2 VAL A 12 -8.278 7.950 1.821 1.00 0.00 C ATOM 0 H VAL A 12 -9.889 6.830 5.210 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.345 7.701 4.144 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.503 6.723 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.967 8.398 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.099 8.347 3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.192 9.660 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.865 7.782 0.918 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.881 8.965 1.811 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.454 7.238 1.856 1.00 0.00 H new ATOM 189 N ARG A 13 -8.657 9.791 6.061 1.00 0.00 N ATOM 190 CA ARG A 13 -8.426 11.084 6.696 1.00 0.00 C ATOM 191 C ARG A 13 -7.398 11.036 7.822 1.00 0.00 C ATOM 192 O ARG A 13 -6.957 12.071 8.321 1.00 0.00 O ATOM 193 CB ARG A 13 -9.761 11.650 7.188 1.00 0.00 C ATOM 194 CG ARG A 13 -10.783 11.624 6.041 1.00 0.00 C ATOM 195 CD ARG A 13 -11.747 12.806 6.114 1.00 0.00 C ATOM 196 NE ARG A 13 -12.374 13.102 4.818 1.00 0.00 N ATOM 197 CZ ARG A 13 -11.778 13.692 3.774 1.00 0.00 C ATOM 198 NH1 ARG A 13 -10.521 14.111 3.845 1.00 0.00 N ATOM 199 NH2 ARG A 13 -12.449 13.861 2.641 1.00 0.00 N ATOM 0 H ARG A 13 -9.165 9.139 6.659 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.996 11.745 5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.129 11.063 8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.626 12.671 7.546 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.258 11.641 5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.347 10.692 6.078 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.523 12.593 6.849 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.210 13.688 6.464 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.351 12.834 4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.990 13.986 4.707 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.086 14.558 3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.415 13.542 2.568 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.998 14.310 1.844 1.00 0.00 H new ATOM 213 N ASP A 14 -6.980 9.843 8.229 1.00 0.00 N ATOM 214 CA ASP A 14 -5.941 9.655 9.245 1.00 0.00 C ATOM 215 C ASP A 14 -4.580 9.483 8.603 1.00 0.00 C ATOM 216 O ASP A 14 -3.606 10.058 9.084 1.00 0.00 O ATOM 217 CB ASP A 14 -6.256 8.456 10.140 1.00 0.00 C ATOM 218 CG ASP A 14 -7.261 8.813 11.253 1.00 0.00 C ATOM 219 OD1 ASP A 14 -7.601 10.009 11.431 1.00 0.00 O ATOM 220 OD2 ASP A 14 -7.789 7.894 11.913 1.00 0.00 O ATOM 0 H ASP A 14 -7.354 8.968 7.862 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.922 10.551 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.661 7.647 9.532 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.334 8.087 10.589 1.00 0.00 H new ATOM 225 N VAL A 15 -4.556 8.738 7.503 1.00 0.00 N ATOM 226 CA VAL A 15 -3.436 8.442 6.631 1.00 0.00 C ATOM 227 C VAL A 15 -2.739 9.649 6.027 1.00 0.00 C ATOM 228 O VAL A 15 -3.083 9.986 4.897 1.00 0.00 O ATOM 229 CB VAL A 15 -3.699 7.324 5.624 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.393 6.975 4.922 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.280 6.039 6.204 1.00 0.00 C ATOM 0 H VAL A 15 -5.407 8.284 7.172 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.698 8.037 7.323 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.456 7.721 4.948 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.570 6.177 4.200 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.012 7.855 4.404 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.662 6.643 5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.427 5.313 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.592 5.630 6.943 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.237 6.254 6.679 1.00 0.00 H new ATOM 241 N LEU A 16 -2.058 10.499 6.780 1.00 0.00 N ATOM 242 CA LEU A 16 -1.118 11.417 6.138 1.00 0.00 C ATOM 243 C LEU A 16 -0.332 10.757 5.003 1.00 0.00 C ATOM 244 O LEU A 16 -0.318 11.304 3.904 1.00 0.00 O ATOM 245 CB LEU A 16 -0.117 11.968 7.152 1.00 0.00 C ATOM 246 CG LEU A 16 -0.724 13.010 8.091 1.00 0.00 C ATOM 247 CD1 LEU A 16 0.369 13.439 9.069 1.00 0.00 C ATOM 248 CD2 LEU A 16 -1.218 14.252 7.335 1.00 0.00 C ATOM 0 H LEU A 16 -2.129 10.576 7.795 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.724 12.222 5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.282 11.144 7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.723 12.414 6.619 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.582 12.568 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.030 14.185 9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.713 12.572 9.633 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.205 13.866 8.516 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.641 14.965 8.043 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.382 14.715 6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.982 13.959 6.614 1.00 0.00 H new ATOM 260 N VAL A 17 0.323 9.614 5.244 1.00 0.00 N ATOM 261 CA VAL A 17 1.276 9.072 4.272 1.00 0.00 C ATOM 262 C VAL A 17 0.522 8.286 3.196 1.00 0.00 C ATOM 263 O VAL A 17 0.315 7.071 3.240 1.00 0.00 O ATOM 264 CB VAL A 17 2.452 8.331 4.931 1.00 0.00 C ATOM 265 CG1 VAL A 17 3.639 8.287 3.952 1.00 0.00 C ATOM 266 CG2 VAL A 17 2.947 9.055 6.188 1.00 0.00 C ATOM 0 H VAL A 17 0.212 9.055 6.090 1.00 0.00 H new ATOM 0 HA VAL A 17 1.774 9.895 3.760 1.00 0.00 H new ATOM 0 HB VAL A 17 2.097 7.335 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.474 7.762 4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.342 7.764 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.943 9.304 3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.778 8.500 6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.280 10.058 5.923 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.135 9.122 6.913 1.00 0.00 H new ATOM 276 N ARG A 18 0.007 9.033 2.231 1.00 0.00 N ATOM 277 CA ARG A 18 -0.891 8.616 1.172 1.00 0.00 C ATOM 278 C ARG A 18 -0.163 7.931 0.020 1.00 0.00 C ATOM 279 O ARG A 18 -0.827 7.511 -0.931 1.00 0.00 O ATOM 280 CB ARG A 18 -1.564 9.908 0.703 1.00 0.00 C ATOM 281 CG ARG A 18 -2.505 10.490 1.759 1.00 0.00 C ATOM 282 CD ARG A 18 -3.947 10.427 1.283 1.00 0.00 C ATOM 283 NE ARG A 18 -4.415 9.044 1.310 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.913 8.453 2.386 1.00 0.00 C ATOM 285 NH1 ARG A 18 -5.390 9.202 3.365 1.00 0.00 N ATOM 286 NH2 ARG A 18 -4.918 7.124 2.469 1.00 0.00 N ATOM 0 H ARG A 18 0.226 10.027 2.166 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.604 7.875 1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.799 10.644 0.456 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.124 9.712 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.400 9.937 2.692 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.230 11.524 1.969 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.578 11.047 1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.024 10.827 0.272 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.355 8.501 0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.371 10.219 3.285 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.777 8.763 4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.539 6.564 1.705 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.301 6.666 3.296 1.00 0.00 H new ATOM 300 N GLY A 19 1.158 7.815 0.082 1.00 0.00 N ATOM 301 CA GLY A 19 2.039 7.403 -0.985 1.00 0.00 C ATOM 302 C GLY A 19 3.242 6.783 -0.295 1.00 0.00 C ATOM 303 O GLY A 19 3.922 7.477 0.452 1.00 0.00 O ATOM 0 H GLY A 19 1.669 8.022 0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.550 6.685 -1.644 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.334 8.252 -1.602 1.00 0.00 H new ATOM 307 N PHE A 20 3.499 5.482 -0.479 1.00 0.00 N ATOM 308 CA PHE A 20 4.741 4.911 0.049 1.00 0.00 C ATOM 309 C PHE A 20 5.967 5.556 -0.607 1.00 0.00 C ATOM 310 O PHE A 20 7.024 5.607 0.016 1.00 0.00 O ATOM 311 CB PHE A 20 4.821 3.397 -0.174 1.00 0.00 C ATOM 312 CG PHE A 20 4.117 2.504 0.823 1.00 0.00 C ATOM 313 CD1 PHE A 20 4.732 2.159 2.045 1.00 0.00 C ATOM 314 CD2 PHE A 20 2.881 1.931 0.477 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.104 1.255 2.916 1.00 0.00 C ATOM 316 CE2 PHE A 20 2.271 1.010 1.339 1.00 0.00 C ATOM 317 CZ PHE A 20 2.878 0.678 2.562 1.00 0.00 C ATOM 0 H PHE A 20 2.890 4.828 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 20 4.736 5.115 1.120 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.416 3.181 -1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.874 3.115 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.686 2.590 2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.402 2.200 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.566 1.004 3.859 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.332 0.554 1.063 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.399 -0.023 3.230 1.00 0.00 H new ATOM 327 N GLY A 21 5.837 6.003 -1.851 1.00 0.00 N ATOM 328 CA GLY A 21 6.863 6.648 -2.640 1.00 0.00 C ATOM 329 C GLY A 21 6.168 7.409 -3.752 1.00 0.00 C ATOM 330 O GLY A 21 4.934 7.436 -3.806 1.00 0.00 O ATOM 0 H GLY A 21 4.957 5.916 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.453 7.325 -2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.551 5.910 -3.052 1.00 0.00 H new ATOM 334 N ASP A 22 6.959 7.993 -4.646 1.00 0.00 N ATOM 335 CA ASP A 22 6.497 8.965 -5.633 1.00 0.00 C ATOM 336 C ASP A 22 6.778 8.470 -7.056 1.00 0.00 C ATOM 337 O ASP A 22 7.089 9.223 -7.977 1.00 0.00 O ATOM 338 CB ASP A 22 7.148 10.307 -5.294 1.00 0.00 C ATOM 339 CG ASP A 22 6.643 11.507 -6.091 1.00 0.00 C ATOM 340 OD1 ASP A 22 5.546 11.475 -6.684 1.00 0.00 O ATOM 341 OD2 ASP A 22 7.375 12.526 -6.064 1.00 0.00 O ATOM 0 H ASP A 22 7.959 7.801 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 22 5.415 9.095 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.994 10.507 -4.234 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.223 10.218 -5.449 1.00 0.00 H new ATOM 346 N SER A 23 6.739 7.151 -7.238 1.00 0.00 N ATOM 347 CA SER A 23 6.557 6.423 -8.489 1.00 0.00 C ATOM 348 C SER A 23 5.930 5.073 -8.112 1.00 0.00 C ATOM 349 O SER A 23 6.000 4.683 -6.942 1.00 0.00 O ATOM 350 CB SER A 23 7.901 6.262 -9.206 1.00 0.00 C ATOM 351 OG SER A 23 8.390 7.534 -9.605 1.00 0.00 O ATOM 0 H SER A 23 6.843 6.514 -6.448 1.00 0.00 H new ATOM 0 HA SER A 23 5.907 6.954 -9.184 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.620 5.777 -8.546 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.784 5.618 -10.077 1.00 0.00 H new ATOM 0 HG SER A 23 7.758 8.229 -9.326 1.00 0.00 H new ATOM 357 N VAL A 24 5.330 4.327 -9.046 1.00 0.00 N ATOM 358 CA VAL A 24 4.761 3.029 -8.744 1.00 0.00 C ATOM 359 C VAL A 24 5.841 2.109 -8.223 1.00 0.00 C ATOM 360 O VAL A 24 5.636 1.428 -7.221 1.00 0.00 O ATOM 361 CB VAL A 24 4.049 2.462 -9.969 1.00 0.00 C ATOM 362 CG1 VAL A 24 2.970 3.414 -10.438 1.00 0.00 C ATOM 363 CG2 VAL A 24 4.920 2.099 -11.163 1.00 0.00 C ATOM 0 H VAL A 24 5.231 4.611 -10.021 1.00 0.00 H new ATOM 0 HA VAL A 24 4.009 3.128 -7.962 1.00 0.00 H new ATOM 0 HB VAL A 24 3.645 1.517 -9.607 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.471 2.996 -11.312 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.242 3.560 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.419 4.372 -10.700 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.294 1.708 -11.965 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.446 2.987 -11.513 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.645 1.341 -10.867 1.00 0.00 H new ATOM 373 N GLU A 25 6.999 2.139 -8.883 1.00 0.00 N ATOM 374 CA GLU A 25 8.044 1.194 -8.595 1.00 0.00 C ATOM 375 C GLU A 25 8.626 1.474 -7.201 1.00 0.00 C ATOM 376 O GLU A 25 8.925 0.534 -6.465 1.00 0.00 O ATOM 377 CB GLU A 25 9.116 1.247 -9.695 1.00 0.00 C ATOM 378 CG GLU A 25 8.722 0.510 -10.989 1.00 0.00 C ATOM 379 CD GLU A 25 9.831 0.517 -12.053 1.00 0.00 C ATOM 380 OE1 GLU A 25 10.273 1.611 -12.474 1.00 0.00 O ATOM 381 OE2 GLU A 25 10.237 -0.564 -12.546 1.00 0.00 O ATOM 0 H GLU A 25 7.224 2.811 -9.617 1.00 0.00 H new ATOM 0 HA GLU A 25 7.639 0.182 -8.585 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.327 2.290 -9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.039 0.815 -9.309 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.466 -0.522 -10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.826 0.972 -11.404 1.00 0.00 H new ATOM 388 N GLU A 26 8.716 2.757 -6.827 1.00 0.00 N ATOM 389 CA GLU A 26 9.113 3.233 -5.504 1.00 0.00 C ATOM 390 C GLU A 26 8.166 2.672 -4.459 1.00 0.00 C ATOM 391 O GLU A 26 8.578 2.016 -3.503 1.00 0.00 O ATOM 392 CB GLU A 26 9.060 4.768 -5.440 1.00 0.00 C ATOM 393 CG GLU A 26 10.164 5.403 -6.284 1.00 0.00 C ATOM 394 CD GLU A 26 11.493 5.357 -5.528 1.00 0.00 C ATOM 395 OE1 GLU A 26 12.191 4.323 -5.568 1.00 0.00 O ATOM 396 OE2 GLU A 26 11.828 6.349 -4.839 1.00 0.00 O ATOM 0 H GLU A 26 8.504 3.521 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 26 10.133 2.901 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.088 5.114 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.160 5.094 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.257 4.874 -7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.905 6.436 -6.519 1.00 0.00 H new ATOM 403 N ALA A 27 6.879 2.951 -4.658 1.00 0.00 N ATOM 404 CA ALA A 27 5.857 2.663 -3.686 1.00 0.00 C ATOM 405 C ALA A 27 5.779 1.153 -3.464 1.00 0.00 C ATOM 406 O ALA A 27 5.632 0.713 -2.326 1.00 0.00 O ATOM 407 CB ALA A 27 4.538 3.274 -4.174 1.00 0.00 C ATOM 0 H ALA A 27 6.526 3.387 -5.510 1.00 0.00 H new ATOM 0 HA ALA A 27 6.087 3.108 -2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.751 3.066 -3.450 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.655 4.352 -4.283 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.270 2.839 -5.137 1.00 0.00 H new ATOM 413 N LEU A 28 5.918 0.351 -4.527 1.00 0.00 N ATOM 414 CA LEU A 28 5.920 -1.104 -4.437 1.00 0.00 C ATOM 415 C LEU A 28 7.172 -1.653 -3.726 1.00 0.00 C ATOM 416 O LEU A 28 7.073 -2.661 -3.018 1.00 0.00 O ATOM 417 CB LEU A 28 5.783 -1.705 -5.846 1.00 0.00 C ATOM 418 CG LEU A 28 4.690 -2.780 -5.936 1.00 0.00 C ATOM 419 CD1 LEU A 28 4.567 -3.312 -7.363 1.00 0.00 C ATOM 420 CD2 LEU A 28 4.942 -3.957 -4.999 1.00 0.00 C ATOM 0 H LEU A 28 6.033 0.702 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 28 5.067 -1.401 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.560 -0.908 -6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.737 -2.139 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 28 3.764 -2.292 -5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.787 -4.072 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.310 -2.494 -8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.516 -3.750 -7.671 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.138 -4.685 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.893 -4.426 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.976 -3.601 -3.969 1.00 0.00 H new ATOM 432 N SER A 29 8.337 -1.020 -3.898 1.00 0.00 N ATOM 433 CA SER A 29 9.557 -1.394 -3.184 1.00 0.00 C ATOM 434 C SER A 29 9.363 -1.173 -1.691 1.00 0.00 C ATOM 435 O SER A 29 9.488 -2.115 -0.901 1.00 0.00 O ATOM 436 CB SER A 29 10.758 -0.564 -3.651 1.00 0.00 C ATOM 437 OG SER A 29 11.363 -1.113 -4.805 1.00 0.00 O ATOM 0 H SER A 29 8.458 -0.234 -4.537 1.00 0.00 H new ATOM 0 HA SER A 29 9.756 -2.445 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.435 0.456 -3.861 1.00 0.00 H new ATOM 0 HB3 SER A 29 11.493 -0.506 -2.848 1.00 0.00 H new ATOM 0 HG SER A 29 12.123 -0.555 -5.073 1.00 0.00 H new ATOM 443 N GLU A 30 9.053 0.064 -1.319 1.00 0.00 N ATOM 444 CA GLU A 30 8.873 0.513 0.049 1.00 0.00 C ATOM 445 C GLU A 30 7.826 -0.336 0.740 1.00 0.00 C ATOM 446 O GLU A 30 8.025 -0.773 1.865 1.00 0.00 O ATOM 447 CB GLU A 30 8.306 1.924 -0.007 1.00 0.00 C ATOM 448 CG GLU A 30 9.275 3.014 -0.422 1.00 0.00 C ATOM 449 CD GLU A 30 9.995 3.594 0.798 1.00 0.00 C ATOM 450 OE1 GLU A 30 9.353 4.165 1.710 1.00 0.00 O ATOM 451 OE2 GLU A 30 11.226 3.390 0.906 1.00 0.00 O ATOM 0 H GLU A 30 8.915 0.813 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 30 9.824 0.455 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.465 1.929 -0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.909 2.174 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.005 2.610 -1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.737 3.806 -0.943 1.00 0.00 H new ATOM 458 N ALA A 31 6.714 -0.597 0.060 1.00 0.00 N ATOM 459 CA ALA A 31 5.698 -1.519 0.502 1.00 0.00 C ATOM 460 C ALA A 31 6.346 -2.835 0.925 1.00 0.00 C ATOM 461 O ALA A 31 6.296 -3.182 2.104 1.00 0.00 O ATOM 462 CB ALA A 31 4.690 -1.640 -0.625 1.00 0.00 C ATOM 0 H ALA A 31 6.498 -0.157 -0.835 1.00 0.00 H new ATOM 0 HA ALA A 31 5.165 -1.173 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.899 -2.331 -0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.258 -0.661 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.188 -2.015 -1.519 1.00 0.00 H new ATOM 468 N ARG A 32 7.028 -3.547 0.026 1.00 0.00 N ATOM 469 CA ARG A 32 7.679 -4.824 0.351 1.00 0.00 C ATOM 470 C ARG A 32 8.746 -4.705 1.448 1.00 0.00 C ATOM 471 O ARG A 32 9.160 -5.722 2.009 1.00 0.00 O ATOM 472 CB ARG A 32 8.241 -5.446 -0.940 1.00 0.00 C ATOM 473 CG ARG A 32 7.105 -5.870 -1.887 1.00 0.00 C ATOM 474 CD ARG A 32 7.567 -6.294 -3.283 1.00 0.00 C ATOM 475 NE ARG A 32 8.374 -7.520 -3.243 1.00 0.00 N ATOM 476 CZ ARG A 32 9.156 -7.957 -4.232 1.00 0.00 C ATOM 477 NH1 ARG A 32 9.001 -7.523 -5.477 1.00 0.00 N ATOM 478 NH2 ARG A 32 10.108 -8.841 -3.973 1.00 0.00 N ATOM 0 H ARG A 32 7.146 -3.259 -0.945 1.00 0.00 H new ATOM 0 HA ARG A 32 6.924 -5.487 0.773 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.889 -4.727 -1.442 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.856 -6.312 -0.693 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.559 -6.697 -1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.404 -5.042 -1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.697 -6.452 -3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.150 -5.490 -3.732 1.00 0.00 H new ATOM 0 HE ARG A 32 8.334 -8.082 -2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.273 -6.842 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 32 9.610 -7.870 -6.218 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.240 -9.184 -3.022 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.709 -9.179 -4.725 1.00 0.00 H new ATOM 492 N GLU A 33 9.173 -3.503 1.814 1.00 0.00 N ATOM 493 CA GLU A 33 10.002 -3.233 2.975 1.00 0.00 C ATOM 494 C GLU A 33 9.185 -3.076 4.255 1.00 0.00 C ATOM 495 O GLU A 33 9.532 -3.605 5.316 1.00 0.00 O ATOM 496 CB GLU A 33 10.800 -1.954 2.669 1.00 0.00 C ATOM 497 CG GLU A 33 12.204 -2.319 2.229 1.00 0.00 C ATOM 498 CD GLU A 33 12.742 -1.438 1.102 1.00 0.00 C ATOM 499 OE1 GLU A 33 12.925 -0.219 1.285 1.00 0.00 O ATOM 500 OE2 GLU A 33 12.974 -1.993 0.004 1.00 0.00 O ATOM 0 H GLU A 33 8.941 -2.660 1.289 1.00 0.00 H new ATOM 0 HA GLU A 33 10.666 -4.079 3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.301 -1.381 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.840 -1.318 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.874 -2.248 3.086 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.214 -3.359 1.902 1.00 0.00 H new ATOM 507 N HIS A 34 8.079 -2.358 4.168 1.00 0.00 N ATOM 508 CA HIS A 34 7.260 -1.970 5.295 1.00 0.00 C ATOM 509 C HIS A 34 6.437 -3.172 5.715 1.00 0.00 C ATOM 510 O HIS A 34 6.159 -3.331 6.892 1.00 0.00 O ATOM 511 CB HIS A 34 6.386 -0.771 4.910 1.00 0.00 C ATOM 512 CG HIS A 34 7.155 0.529 4.893 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.229 0.842 4.090 1.00 0.00 N ATOM 514 CD2 HIS A 34 6.920 1.611 5.692 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.644 2.078 4.402 1.00 0.00 C ATOM 516 NE2 HIS A 34 7.901 2.567 5.411 1.00 0.00 N ATOM 0 H HIS A 34 7.717 -2.019 3.277 1.00 0.00 H new ATOM 0 HA HIS A 34 7.873 -1.657 6.140 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.952 -0.944 3.925 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.558 -0.689 5.614 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.639 0.237 3.379 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.121 1.711 6.411 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.453 2.602 3.916 1.00 0.00 H new ATOM 524 N LEU A 35 6.124 -4.086 4.800 1.00 0.00 N ATOM 525 CA LEU A 35 5.565 -5.381 5.142 1.00 0.00 C ATOM 526 C LEU A 35 6.511 -6.183 6.029 1.00 0.00 C ATOM 527 O LEU A 35 6.073 -6.791 7.007 1.00 0.00 O ATOM 528 CB LEU A 35 5.288 -6.183 3.862 1.00 0.00 C ATOM 529 CG LEU A 35 3.908 -5.852 3.292 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.848 -4.673 2.348 1.00 0.00 C ATOM 531 CD2 LEU A 35 3.355 -7.089 2.581 1.00 0.00 C ATOM 0 H LEU A 35 6.253 -3.944 3.798 1.00 0.00 H new ATOM 0 HA LEU A 35 4.639 -5.206 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.054 -5.963 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.350 -7.250 4.077 1.00 0.00 H new ATOM 0 HG LEU A 35 3.306 -5.558 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.822 -4.532 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.185 -3.775 2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.493 -4.861 1.490 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.371 -6.863 2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.028 -7.375 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.272 -7.911 3.292 1.00 0.00 H new ATOM 543 N LYS A 36 7.794 -6.224 5.663 1.00 0.00 N ATOM 544 CA LYS A 36 8.798 -7.030 6.329 1.00 0.00 C ATOM 545 C LYS A 36 9.032 -6.550 7.758 1.00 0.00 C ATOM 546 O LYS A 36 9.202 -7.379 8.656 1.00 0.00 O ATOM 547 CB LYS A 36 10.046 -6.993 5.447 1.00 0.00 C ATOM 548 CG LYS A 36 10.969 -8.187 5.691 1.00 0.00 C ATOM 549 CD LYS A 36 12.027 -7.961 6.772 1.00 0.00 C ATOM 550 CE LYS A 36 13.034 -6.880 6.377 1.00 0.00 C ATOM 551 NZ LYS A 36 14.112 -7.381 5.503 1.00 0.00 N ATOM 0 H LYS A 36 8.163 -5.685 4.880 1.00 0.00 H new ATOM 0 HA LYS A 36 8.477 -8.065 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.746 -6.977 4.399 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.594 -6.070 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.362 -9.048 5.969 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.471 -8.439 4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.537 -7.676 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.555 -8.895 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.509 -6.072 5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.474 -6.456 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.761 -6.602 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.636 -8.133 5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.700 -7.761 4.627 1.00 0.00 H new ATOM 565 N ASN A 37 9.050 -5.231 7.962 1.00 0.00 N ATOM 566 CA ASN A 37 9.122 -4.625 9.290 1.00 0.00 C ATOM 567 C ASN A 37 7.787 -4.764 10.005 1.00 0.00 C ATOM 568 O ASN A 37 7.731 -5.048 11.201 1.00 0.00 O ATOM 569 CB ASN A 37 9.481 -3.142 9.184 1.00 0.00 C ATOM 570 CG ASN A 37 10.924 -2.994 8.756 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.855 -3.191 9.537 1.00 0.00 O ATOM 572 ND2 ASN A 37 11.136 -2.744 7.480 1.00 0.00 N ATOM 0 H ASN A 37 9.015 -4.550 7.204 1.00 0.00 H new ATOM 0 HA ASN A 37 9.895 -5.143 9.857 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.826 -2.650 8.464 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.325 -2.651 10.144 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.089 -2.710 7.118 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.347 -2.584 6.854 1.00 0.00 H new ATOM 579 N GLY A 38 6.702 -4.548 9.271 1.00 0.00 N ATOM 580 CA GLY A 38 5.324 -4.603 9.757 1.00 0.00 C ATOM 581 C GLY A 38 4.714 -3.216 9.971 1.00 0.00 C ATOM 582 O GLY A 38 3.835 -3.037 10.816 1.00 0.00 O ATOM 0 H GLY A 38 6.758 -4.320 8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.714 -5.157 9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.297 -5.156 10.696 1.00 0.00 H new ATOM 586 N THR A 39 5.181 -2.224 9.226 1.00 0.00 N ATOM 587 CA THR A 39 4.804 -0.822 9.234 1.00 0.00 C ATOM 588 C THR A 39 3.905 -0.531 8.023 1.00 0.00 C ATOM 589 O THR A 39 4.020 0.509 7.381 1.00 0.00 O ATOM 590 CB THR A 39 6.115 -0.002 9.264 1.00 0.00 C ATOM 591 OG1 THR A 39 7.055 -0.530 8.336 1.00 0.00 O ATOM 592 CG2 THR A 39 6.763 -0.088 10.649 1.00 0.00 C ATOM 0 H THR A 39 5.907 -2.402 8.532 1.00 0.00 H new ATOM 0 HA THR A 39 4.215 -0.544 10.108 1.00 0.00 H new ATOM 0 HB THR A 39 5.861 1.028 9.014 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.878 0.001 8.366 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.685 0.494 10.656 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.077 0.310 11.397 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.989 -1.129 10.881 1.00 0.00 H new ATOM 600 N CYS A 40 2.985 -1.444 7.684 1.00 0.00 N ATOM 601 CA CYS A 40 2.004 -1.275 6.620 1.00 0.00 C ATOM 602 C CYS A 40 0.587 -1.374 7.215 1.00 0.00 C ATOM 603 O CYS A 40 0.374 -2.063 8.217 1.00 0.00 O ATOM 604 CB CYS A 40 2.303 -2.343 5.557 1.00 0.00 C ATOM 605 SG CYS A 40 1.133 -2.305 4.173 1.00 0.00 S ATOM 0 H CYS A 40 2.906 -2.343 8.159 1.00 0.00 H new ATOM 0 HA CYS A 40 2.062 -0.296 6.145 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.314 -2.197 5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.277 -3.329 6.022 1.00 0.00 H new ATOM 0 HG CYS A 40 1.446 -3.230 3.315 1.00 0.00 H new ATOM 611 N GLY A 41 -0.389 -0.729 6.574 1.00 0.00 N ATOM 612 CA GLY A 41 -1.821 -0.810 6.850 1.00 0.00 C ATOM 613 C GLY A 41 -2.623 -0.764 5.544 1.00 0.00 C ATOM 614 O GLY A 41 -2.028 -0.679 4.464 1.00 0.00 O ATOM 0 H GLY A 41 -0.186 -0.097 5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.042 -1.732 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.120 0.015 7.497 1.00 0.00 H new ATOM 618 N LEU A 42 -3.953 -0.861 5.631 1.00 0.00 N ATOM 619 CA LEU A 42 -4.895 -1.019 4.516 1.00 0.00 C ATOM 620 C LEU A 42 -5.828 0.192 4.439 1.00 0.00 C ATOM 621 O LEU A 42 -6.204 0.759 5.464 1.00 0.00 O ATOM 622 CB LEU A 42 -5.713 -2.314 4.739 1.00 0.00 C ATOM 623 CG LEU A 42 -6.682 -2.715 3.599 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.942 -3.368 2.417 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.752 -3.683 4.123 1.00 0.00 C ATOM 0 H LEU A 42 -4.429 -0.830 6.532 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.348 -1.087 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.016 -3.136 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.291 -2.201 5.656 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.153 -1.799 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.659 -3.633 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.212 -2.667 2.012 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.430 -4.267 2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.425 -3.956 3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.271 -4.580 4.513 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.320 -3.201 4.919 1.00 0.00 H new ATOM 637 N VAL A 43 -6.253 0.529 3.223 1.00 0.00 N ATOM 638 CA VAL A 43 -7.264 1.510 2.870 1.00 0.00 C ATOM 639 C VAL A 43 -8.204 0.795 1.900 1.00 0.00 C ATOM 640 O VAL A 43 -7.779 0.355 0.833 1.00 0.00 O ATOM 641 CB VAL A 43 -6.574 2.755 2.267 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.533 3.731 1.571 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.811 3.534 3.348 1.00 0.00 C ATOM 0 H VAL A 43 -5.863 0.082 2.393 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.838 1.878 3.721 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.897 2.357 1.511 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.969 4.576 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.042 3.220 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.270 4.091 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.334 4.406 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.507 3.859 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.050 2.891 3.791 1.00 0.00 H new ATOM 653 N GLU A 44 -9.468 0.610 2.276 1.00 0.00 N ATOM 654 CA GLU A 44 -10.461 0.008 1.392 1.00 0.00 C ATOM 655 C GLU A 44 -10.711 0.951 0.210 1.00 0.00 C ATOM 656 O GLU A 44 -10.580 2.173 0.340 1.00 0.00 O ATOM 657 CB GLU A 44 -11.782 -0.237 2.128 1.00 0.00 C ATOM 658 CG GLU A 44 -11.644 -1.008 3.447 1.00 0.00 C ATOM 659 CD GLU A 44 -12.988 -1.032 4.169 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.407 0.053 4.642 1.00 0.00 O ATOM 661 OE2 GLU A 44 -13.614 -2.115 4.231 1.00 0.00 O ATOM 0 H GLU A 44 -9.829 0.871 3.194 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.079 -0.952 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -12.253 0.725 2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.453 -0.787 1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.307 -2.026 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.889 -0.538 4.078 1.00 0.00 H new ATOM 668 N LEU A 45 -11.089 0.388 -0.936 1.00 0.00 N ATOM 669 CA LEU A 45 -11.396 1.168 -2.137 1.00 0.00 C ATOM 670 C LEU A 45 -12.867 1.588 -2.162 1.00 0.00 C ATOM 671 O LEU A 45 -13.724 0.913 -1.592 1.00 0.00 O ATOM 672 CB LEU A 45 -10.938 0.400 -3.387 1.00 0.00 C ATOM 673 CG LEU A 45 -9.409 0.537 -3.578 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.890 -0.461 -4.619 1.00 0.00 C ATOM 675 CD2 LEU A 45 -9.027 1.974 -3.966 1.00 0.00 C ATOM 0 H LEU A 45 -11.191 -0.619 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.836 2.103 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.206 -0.652 -3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.456 0.783 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.935 0.306 -2.624 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.812 -0.341 -4.732 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.110 -1.477 -4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.378 -0.276 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.947 2.041 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.520 2.242 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.343 2.659 -3.179 1.00 0.00 H new ATOM 687 N GLU A 46 -13.147 2.723 -2.810 1.00 0.00 N ATOM 688 CA GLU A 46 -14.438 3.410 -2.798 1.00 0.00 C ATOM 689 C GLU A 46 -14.643 4.193 -4.110 1.00 0.00 C ATOM 690 O GLU A 46 -13.778 4.146 -4.984 1.00 0.00 O ATOM 691 CB GLU A 46 -14.478 4.386 -1.610 1.00 0.00 C ATOM 692 CG GLU A 46 -14.820 3.749 -0.256 1.00 0.00 C ATOM 693 CD GLU A 46 -15.719 4.683 0.559 1.00 0.00 C ATOM 694 OE1 GLU A 46 -16.870 4.928 0.135 1.00 0.00 O ATOM 695 OE2 GLU A 46 -15.275 5.232 1.594 1.00 0.00 O ATOM 0 H GLU A 46 -12.452 3.206 -3.379 1.00 0.00 H new ATOM 0 HA GLU A 46 -15.233 2.671 -2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.507 4.876 -1.529 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.211 5.164 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.322 2.794 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.904 3.541 0.297 1.00 0.00 H new ATOM 702 N LYS A 47 -15.719 4.976 -4.268 1.00 0.00 N ATOM 703 CA LYS A 47 -15.765 6.007 -5.312 1.00 0.00 C ATOM 704 C LYS A 47 -14.750 7.109 -5.005 1.00 0.00 C ATOM 705 O LYS A 47 -13.946 7.468 -5.866 1.00 0.00 O ATOM 706 CB LYS A 47 -17.185 6.589 -5.424 1.00 0.00 C ATOM 707 CG LYS A 47 -17.390 7.545 -6.614 1.00 0.00 C ATOM 708 CD LYS A 47 -17.900 6.849 -7.883 1.00 0.00 C ATOM 709 CE LYS A 47 -18.496 7.861 -8.866 1.00 0.00 C ATOM 710 NZ LYS A 47 -19.003 7.208 -10.092 1.00 0.00 N ATOM 0 H LYS A 47 -16.560 4.916 -3.693 1.00 0.00 H new ATOM 0 HA LYS A 47 -15.505 5.555 -6.269 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.896 5.767 -5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.420 7.121 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -18.098 8.322 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.446 8.041 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.081 6.312 -8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -18.654 6.108 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.308 8.403 -8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.738 8.597 -9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -19.398 7.928 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -18.223 6.712 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -19.745 6.524 -9.840 1.00 0.00 H new ATOM 724 N GLY A 48 -14.796 7.643 -3.784 1.00 0.00 N ATOM 725 CA GLY A 48 -14.162 8.899 -3.417 1.00 0.00 C ATOM 726 C GLY A 48 -12.860 8.734 -2.647 1.00 0.00 C ATOM 727 O GLY A 48 -12.360 9.724 -2.122 1.00 0.00 O ATOM 0 H GLY A 48 -15.288 7.200 -3.008 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.966 9.473 -4.322 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -14.857 9.482 -2.814 1.00 0.00 H new ATOM 731 N VAL A 49 -12.287 7.531 -2.559 1.00 0.00 N ATOM 732 CA VAL A 49 -10.955 7.329 -1.985 1.00 0.00 C ATOM 733 C VAL A 49 -9.888 7.751 -2.989 1.00 0.00 C ATOM 734 O VAL A 49 -9.084 8.616 -2.666 1.00 0.00 O ATOM 735 CB VAL A 49 -10.825 5.881 -1.478 1.00 0.00 C ATOM 736 CG1 VAL A 49 -9.397 5.327 -1.360 1.00 0.00 C ATOM 737 CG2 VAL A 49 -11.488 5.773 -0.092 1.00 0.00 C ATOM 0 H VAL A 49 -12.732 6.672 -2.883 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.803 7.965 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.315 5.279 -2.243 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.434 4.301 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.917 5.346 -2.339 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.825 5.940 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.400 4.750 0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.992 6.451 0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -12.542 6.041 -0.171 1.00 0.00 H new ATOM 747 N LEU A 50 -9.891 7.195 -4.202 1.00 0.00 N ATOM 748 CA LEU A 50 -8.947 7.535 -5.264 1.00 0.00 C ATOM 749 C LEU A 50 -8.664 9.047 -5.377 1.00 0.00 C ATOM 750 O LEU A 50 -7.493 9.407 -5.257 1.00 0.00 O ATOM 751 CB LEU A 50 -9.425 6.937 -6.599 1.00 0.00 C ATOM 752 CG LEU A 50 -9.065 5.470 -6.942 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.744 5.332 -8.435 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.937 4.863 -6.092 1.00 0.00 C ATOM 0 H LEU A 50 -10.565 6.481 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.988 7.090 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.511 7.023 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.035 7.566 -7.399 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.954 4.891 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.493 4.295 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.612 5.630 -9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.898 5.972 -8.686 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.758 3.835 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.026 5.447 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.226 4.876 -5.041 1.00 0.00 H new ATOM 766 N PRO A 51 -9.657 9.956 -5.498 1.00 0.00 N ATOM 767 CA PRO A 51 -9.427 11.399 -5.586 1.00 0.00 C ATOM 768 C PRO A 51 -9.162 12.022 -4.199 1.00 0.00 C ATOM 769 O PRO A 51 -9.670 13.098 -3.866 1.00 0.00 O ATOM 770 CB PRO A 51 -10.693 11.923 -6.269 1.00 0.00 C ATOM 771 CG PRO A 51 -11.792 11.035 -5.688 1.00 0.00 C ATOM 772 CD PRO A 51 -11.084 9.700 -5.446 1.00 0.00 C ATOM 0 HA PRO A 51 -8.533 11.663 -6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -10.865 12.976 -6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -10.633 11.833 -7.354 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.195 11.449 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.627 10.926 -6.380 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.365 9.285 -4.478 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -11.372 8.969 -6.202 1.00 0.00 H new ATOM 780 N GLN A 52 -8.338 11.356 -3.394 1.00 0.00 N ATOM 781 CA GLN A 52 -7.727 11.797 -2.148 1.00 0.00 C ATOM 782 C GLN A 52 -6.300 11.236 -2.043 1.00 0.00 C ATOM 783 O GLN A 52 -5.454 11.876 -1.420 1.00 0.00 O ATOM 784 CB GLN A 52 -8.537 11.343 -0.915 1.00 0.00 C ATOM 785 CG GLN A 52 -9.962 11.905 -0.887 1.00 0.00 C ATOM 786 CD GLN A 52 -10.690 11.581 0.420 1.00 0.00 C ATOM 787 OE1 GLN A 52 -10.361 12.087 1.479 1.00 0.00 O ATOM 788 NE2 GLN A 52 -11.724 10.757 0.388 1.00 0.00 N ATOM 0 H GLN A 52 -8.056 10.403 -3.622 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.709 12.887 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.583 10.254 -0.900 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.014 11.653 -0.011 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.926 12.986 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.527 11.498 -1.725 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -12.007 10.328 -0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.238 10.550 1.244 1.00 0.00 H new ATOM 797 N LEU A 53 -5.988 10.083 -2.649 1.00 0.00 N ATOM 798 CA LEU A 53 -4.660 9.463 -2.551 1.00 0.00 C ATOM 799 C LEU A 53 -3.690 10.165 -3.514 1.00 0.00 C ATOM 800 O LEU A 53 -4.142 10.857 -4.426 1.00 0.00 O ATOM 801 CB LEU A 53 -4.774 7.954 -2.856 1.00 0.00 C ATOM 802 CG LEU A 53 -5.247 7.046 -1.701 1.00 0.00 C ATOM 803 CD1 LEU A 53 -4.068 6.612 -0.819 1.00 0.00 C ATOM 804 CD2 LEU A 53 -6.385 7.589 -0.851 1.00 0.00 C ATOM 0 H LEU A 53 -6.648 9.555 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.267 9.575 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.462 7.827 -3.692 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.799 7.600 -3.189 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.674 6.179 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.432 5.973 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.346 6.061 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.588 7.493 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.633 6.868 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.079 8.529 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.259 7.760 -1.479 1.00 0.00 H new ATOM 816 N GLU A 54 -2.379 10.007 -3.292 1.00 0.00 N ATOM 817 CA GLU A 54 -1.286 10.673 -4.024 1.00 0.00 C ATOM 818 C GLU A 54 -1.336 10.262 -5.488 1.00 0.00 C ATOM 819 O GLU A 54 -1.989 10.935 -6.283 1.00 0.00 O ATOM 820 CB GLU A 54 0.068 10.389 -3.334 1.00 0.00 C ATOM 821 CG GLU A 54 0.159 11.052 -1.947 1.00 0.00 C ATOM 822 CD GLU A 54 0.671 12.498 -1.851 1.00 0.00 C ATOM 823 OE1 GLU A 54 1.756 12.807 -2.379 1.00 0.00 O ATOM 824 OE2 GLU A 54 0.032 13.292 -1.115 1.00 0.00 O ATOM 0 H GLU A 54 -2.032 9.383 -2.564 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.408 11.756 -4.001 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.203 9.312 -3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.879 10.753 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.835 11.023 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.805 10.431 -1.326 1.00 0.00 H new ATOM 831 N GLN A 55 -0.711 9.146 -5.856 1.00 0.00 N ATOM 832 CA GLN A 55 -0.720 8.690 -7.233 1.00 0.00 C ATOM 833 C GLN A 55 -0.349 7.215 -7.335 1.00 0.00 C ATOM 834 O GLN A 55 -1.195 6.477 -7.834 1.00 0.00 O ATOM 835 CB GLN A 55 0.216 9.554 -8.079 1.00 0.00 C ATOM 836 CG GLN A 55 -0.498 10.518 -9.041 1.00 0.00 C ATOM 837 CD GLN A 55 -0.183 10.180 -10.494 1.00 0.00 C ATOM 838 OE1 GLN A 55 0.703 10.745 -11.134 1.00 0.00 O ATOM 839 NE2 GLN A 55 -0.900 9.222 -11.054 1.00 0.00 N ATOM 0 H GLN A 55 -0.193 8.544 -5.215 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.734 8.794 -7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.855 10.133 -7.413 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.868 8.900 -8.658 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.575 10.467 -8.878 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.191 11.542 -8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.634 8.756 -10.520 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.720 8.949 -12.020 1.00 0.00 H new ATOM 848 N PRO A 56 0.859 6.751 -6.950 1.00 0.00 N ATOM 849 CA PRO A 56 1.193 5.344 -7.066 1.00 0.00 C ATOM 850 C PRO A 56 0.506 4.579 -5.938 1.00 0.00 C ATOM 851 O PRO A 56 1.044 4.395 -4.846 1.00 0.00 O ATOM 852 CB PRO A 56 2.713 5.274 -7.067 1.00 0.00 C ATOM 853 CG PRO A 56 3.147 6.480 -6.247 1.00 0.00 C ATOM 854 CD PRO A 56 2.041 7.503 -6.533 1.00 0.00 C ATOM 0 HA PRO A 56 0.837 4.871 -7.981 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.068 4.344 -6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.112 5.318 -8.080 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.214 6.244 -5.185 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.126 6.847 -6.555 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.826 8.097 -5.645 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.351 8.198 -7.314 1.00 0.00 H new ATOM 862 N TYR A 57 -0.729 4.176 -6.212 1.00 0.00 N ATOM 863 CA TYR A 57 -1.569 3.460 -5.264 1.00 0.00 C ATOM 864 C TYR A 57 -1.121 1.996 -5.254 1.00 0.00 C ATOM 865 O TYR A 57 -1.328 1.263 -6.225 1.00 0.00 O ATOM 866 CB TYR A 57 -3.063 3.576 -5.624 1.00 0.00 C ATOM 867 CG TYR A 57 -3.597 4.951 -5.999 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.130 6.133 -5.391 1.00 0.00 C ATOM 869 CD2 TYR A 57 -4.588 5.037 -6.991 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.597 7.387 -5.837 1.00 0.00 C ATOM 871 CE2 TYR A 57 -5.079 6.284 -7.409 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.565 7.471 -6.856 1.00 0.00 C ATOM 873 OH TYR A 57 -4.990 8.683 -7.307 1.00 0.00 O ATOM 0 H TYR A 57 -1.180 4.340 -7.112 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.457 3.899 -4.273 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -3.260 2.901 -6.457 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.642 3.212 -4.775 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.415 6.079 -4.584 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.977 4.133 -7.437 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.208 8.291 -5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.855 6.332 -8.159 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.588 8.556 -8.073 1.00 0.00 H new ATOM 883 N VAL A 58 -0.476 1.578 -4.167 1.00 0.00 N ATOM 884 CA VAL A 58 -0.055 0.206 -3.938 1.00 0.00 C ATOM 885 C VAL A 58 -1.300 -0.619 -3.618 1.00 0.00 C ATOM 886 O VAL A 58 -1.812 -0.570 -2.502 1.00 0.00 O ATOM 887 CB VAL A 58 0.999 0.146 -2.817 1.00 0.00 C ATOM 888 CG1 VAL A 58 1.495 -1.289 -2.629 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.206 1.029 -3.145 1.00 0.00 C ATOM 0 H VAL A 58 -0.227 2.205 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 58 0.423 -0.209 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 58 0.522 0.505 -1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.240 -1.315 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.656 -1.932 -2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.943 -1.644 -3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.933 0.966 -2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.665 0.688 -4.073 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.880 2.063 -3.261 1.00 0.00 H new ATOM 899 N PHE A 59 -1.831 -1.350 -4.591 1.00 0.00 N ATOM 900 CA PHE A 59 -3.006 -2.186 -4.414 1.00 0.00 C ATOM 901 C PHE A 59 -2.663 -3.569 -3.923 1.00 0.00 C ATOM 902 O PHE A 59 -1.526 -4.035 -4.002 1.00 0.00 O ATOM 903 CB PHE A 59 -3.731 -2.326 -5.751 1.00 0.00 C ATOM 904 CG PHE A 59 -4.334 -1.095 -6.359 1.00 0.00 C ATOM 905 CD1 PHE A 59 -5.104 -0.223 -5.575 1.00 0.00 C ATOM 906 CD2 PHE A 59 -4.192 -0.872 -7.738 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.700 0.901 -6.164 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.829 0.227 -8.330 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.577 1.117 -7.541 1.00 0.00 C ATOM 0 H PHE A 59 -1.450 -1.377 -5.537 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.633 -1.702 -3.665 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.026 -2.743 -6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.527 -3.059 -5.624 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.237 -0.417 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.596 -1.543 -8.339 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.254 1.600 -5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.745 0.390 -9.394 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.058 1.969 -7.998 1.00 0.00 H new ATOM 919 N ILE A 60 -3.729 -4.249 -3.511 1.00 0.00 N ATOM 920 CA ILE A 60 -3.749 -5.667 -3.277 1.00 0.00 C ATOM 921 C ILE A 60 -4.823 -6.260 -4.165 1.00 0.00 C ATOM 922 O ILE A 60 -6.001 -5.920 -4.039 1.00 0.00 O ATOM 923 CB ILE A 60 -3.918 -5.974 -1.786 1.00 0.00 C ATOM 924 CG1 ILE A 60 -5.255 -5.552 -1.169 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.705 -5.409 -1.075 1.00 0.00 C ATOM 926 CD1 ILE A 60 -5.378 -5.893 0.308 1.00 0.00 C ATOM 0 H ILE A 60 -4.627 -3.801 -3.328 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.799 -6.132 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.966 -7.055 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.382 -4.477 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.066 -6.036 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.785 -5.606 -0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.803 -5.880 -1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.654 -4.333 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.350 -5.565 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.284 -6.971 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.589 -5.388 0.865 1.00 0.00 H new ATOM 938 N LYS A 61 -4.423 -7.123 -5.089 1.00 0.00 N ATOM 939 CA LYS A 61 -5.363 -7.863 -5.915 1.00 0.00 C ATOM 940 C LYS A 61 -5.183 -9.353 -5.708 1.00 0.00 C ATOM 941 O LYS A 61 -4.163 -9.755 -5.171 1.00 0.00 O ATOM 942 CB LYS A 61 -5.308 -7.408 -7.371 1.00 0.00 C ATOM 943 CG LYS A 61 -3.954 -7.385 -8.071 1.00 0.00 C ATOM 944 CD LYS A 61 -3.960 -8.240 -9.358 1.00 0.00 C ATOM 945 CE LYS A 61 -2.585 -8.825 -9.641 1.00 0.00 C ATOM 946 NZ LYS A 61 -2.339 -9.208 -11.048 1.00 0.00 N ATOM 0 H LYS A 61 -3.443 -7.328 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.382 -7.639 -5.598 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.969 -8.056 -7.947 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.725 -6.402 -7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.690 -6.357 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.187 -7.756 -7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.687 -9.046 -9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.278 -7.628 -10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.830 -8.098 -9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.446 -9.705 -9.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.279 -10.244 -11.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.119 -8.864 -11.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.445 -8.786 -11.371 1.00 0.00 H new ATOM 960 N ARG A 62 -6.177 -10.177 -6.057 1.00 0.00 N ATOM 961 CA ARG A 62 -6.218 -11.629 -5.793 1.00 0.00 C ATOM 962 C ARG A 62 -5.220 -12.472 -6.599 1.00 0.00 C ATOM 963 O ARG A 62 -5.578 -13.547 -7.073 1.00 0.00 O ATOM 964 CB ARG A 62 -7.633 -12.208 -5.959 1.00 0.00 C ATOM 965 CG ARG A 62 -8.743 -11.268 -5.508 1.00 0.00 C ATOM 966 CD ARG A 62 -10.081 -11.958 -5.188 1.00 0.00 C ATOM 967 NE ARG A 62 -10.379 -13.083 -6.095 1.00 0.00 N ATOM 968 CZ ARG A 62 -10.811 -14.296 -5.738 1.00 0.00 C ATOM 969 NH1 ARG A 62 -11.463 -14.466 -4.590 1.00 0.00 N ATOM 970 NH2 ARG A 62 -10.593 -15.336 -6.527 1.00 0.00 N ATOM 0 H ARG A 62 -7.007 -9.845 -6.549 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.907 -11.703 -4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.790 -12.462 -7.007 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.704 -13.136 -5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.407 -10.730 -4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.910 -10.525 -6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.060 -12.322 -4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.886 -11.225 -5.250 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.242 -12.919 -7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.635 -13.668 -3.978 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.791 -15.394 -4.322 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.095 -15.212 -7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.923 -16.262 -6.254 1.00 0.00 H new ATOM 984 N SER A 63 -3.998 -12.000 -6.817 1.00 0.00 N ATOM 985 CA SER A 63 -2.962 -12.618 -7.640 1.00 0.00 C ATOM 986 C SER A 63 -3.297 -12.444 -9.126 1.00 0.00 C ATOM 987 O SER A 63 -2.450 -11.995 -9.893 1.00 0.00 O ATOM 988 CB SER A 63 -2.746 -14.084 -7.230 1.00 0.00 C ATOM 989 OG SER A 63 -1.385 -14.459 -7.168 1.00 0.00 O ATOM 0 H SER A 63 -3.684 -11.124 -6.400 1.00 0.00 H new ATOM 0 HA SER A 63 -2.010 -12.114 -7.472 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.205 -14.252 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.261 -14.731 -7.940 1.00 0.00 H new ATOM 0 HG SER A 63 -1.317 -15.399 -6.901 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.343 -16.242 0.688 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.284 -15.061 -0.150 1.00 0.00 C ATOM 1118 C LYS A 73 -6.824 -14.649 -0.402 1.00 0.00 C ATOM 1119 O LYS A 73 -6.326 -13.705 0.217 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.077 -13.964 0.572 1.00 0.00 C ATOM 1121 CG LYS A 73 -9.323 -12.755 -0.338 1.00 0.00 C ATOM 1122 CD LYS A 73 -10.622 -12.872 -1.145 1.00 0.00 C ATOM 1123 CE LYS A 73 -11.861 -12.650 -0.262 1.00 0.00 C ATOM 1124 NZ LYS A 73 -13.104 -12.985 -0.985 1.00 0.00 N ATOM 0 HA LYS A 73 -8.719 -15.248 -1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.032 -14.367 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.533 -13.646 1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.358 -11.850 0.269 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.483 -12.646 -1.024 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.615 -12.141 -1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.676 -13.858 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.784 -13.263 0.636 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.896 -11.610 0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.922 -12.825 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.188 -12.383 -1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.079 -13.984 -1.274 1.00 0.00 H new ATOM 1138 N VAL A 74 -6.089 -15.383 -1.232 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.736 -14.979 -1.609 1.00 0.00 C ATOM 1140 C VAL A 74 -4.849 -13.653 -2.346 1.00 0.00 C ATOM 1141 O VAL A 74 -5.816 -13.425 -3.079 1.00 0.00 O ATOM 1142 CB VAL A 74 -4.024 -16.056 -2.453 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -2.640 -15.605 -2.961 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.861 -17.309 -1.592 1.00 0.00 C ATOM 0 H VAL A 74 -6.404 -16.256 -1.655 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.117 -14.861 -0.720 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.636 -16.249 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.189 -16.405 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.752 -14.717 -3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.998 -15.373 -2.111 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.359 -18.085 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.265 -17.070 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.842 -17.667 -1.280 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.845 -12.808 -2.153 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.639 -11.573 -2.872 1.00 0.00 C ATOM 1156 C VAL A 75 -2.153 -11.434 -3.189 1.00 0.00 C ATOM 1157 O VAL A 75 -1.344 -12.279 -2.782 1.00 0.00 O ATOM 1158 CB VAL A 75 -4.190 -10.374 -2.066 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.714 -10.287 -2.109 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.772 -10.396 -0.593 1.00 0.00 C ATOM 0 H VAL A 75 -3.121 -12.980 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.190 -11.586 -3.813 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.752 -9.504 -2.556 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.046 -9.427 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.043 -10.175 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.142 -11.197 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.191 -9.528 -0.083 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.143 -11.307 -0.123 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.685 -10.368 -0.523 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.787 -10.352 -3.875 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.425 -9.858 -3.831 1.00 0.00 C ATOM 1172 C GLU A 76 -0.483 -8.344 -3.950 1.00 0.00 C ATOM 1173 O GLU A 76 -1.483 -7.794 -4.419 1.00 0.00 O ATOM 1174 CB GLU A 76 0.462 -10.316 -4.995 1.00 0.00 C ATOM 1175 CG GLU A 76 0.527 -11.770 -5.452 1.00 0.00 C ATOM 1176 CD GLU A 76 1.674 -12.011 -6.453 1.00 0.00 C ATOM 1177 OE1 GLU A 76 2.645 -11.218 -6.493 1.00 0.00 O ATOM 1178 OE2 GLU A 76 1.675 -13.070 -7.118 1.00 0.00 O ATOM 0 H GLU A 76 -2.417 -9.807 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 76 0.002 -10.239 -2.903 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.164 -9.729 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.481 -10.022 -4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.661 -12.417 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.421 -12.048 -5.913 1.00 0.00 H new ATOM 1185 N LEU A 77 0.654 -7.718 -3.658 1.00 0.00 N ATOM 1186 CA LEU A 77 0.959 -6.340 -3.991 1.00 0.00 C ATOM 1187 C LEU A 77 0.980 -6.142 -5.508 1.00 0.00 C ATOM 1188 O LEU A 77 1.565 -6.951 -6.247 1.00 0.00 O ATOM 1189 CB LEU A 77 2.333 -5.991 -3.410 1.00 0.00 C ATOM 1190 CG LEU A 77 2.320 -5.872 -1.874 1.00 0.00 C ATOM 1191 CD1 LEU A 77 3.556 -6.508 -1.246 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.285 -4.406 -1.474 1.00 0.00 C ATOM 0 H LEU A 77 1.416 -8.181 -3.162 1.00 0.00 H new ATOM 0 HA LEU A 77 0.191 -5.690 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.052 -6.756 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.675 -5.050 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 77 1.434 -6.396 -1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.508 -6.403 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.593 -7.566 -1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.451 -6.011 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.276 -4.326 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.167 -3.900 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.387 -3.939 -1.880 1.00 0.00 H new ATOM 1204 N VAL A 78 0.395 -5.028 -5.933 1.00 0.00 N ATOM 1205 CA VAL A 78 0.530 -4.358 -7.223 1.00 0.00 C ATOM 1206 C VAL A 78 0.751 -2.881 -6.889 1.00 0.00 C ATOM 1207 O VAL A 78 0.590 -2.463 -5.742 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.734 -4.613 -8.083 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.881 -3.832 -9.394 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -0.812 -6.084 -8.459 1.00 0.00 C ATOM 0 H VAL A 78 -0.248 -4.522 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 78 1.363 -4.731 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.532 -4.262 -7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.812 -4.116 -9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.894 -2.763 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.041 -4.061 -10.050 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.702 -6.258 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.074 -6.361 -9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -0.864 -6.689 -7.554 1.00 0.00 H new ATOM 1220 N ALA A 79 1.090 -2.083 -7.888 1.00 0.00 N ATOM 1221 CA ALA A 79 1.100 -0.634 -7.832 1.00 0.00 C ATOM 1222 C ALA A 79 0.522 -0.150 -9.159 1.00 0.00 C ATOM 1223 O ALA A 79 0.620 -0.852 -10.172 1.00 0.00 O ATOM 1224 CB ALA A 79 2.527 -0.137 -7.574 1.00 0.00 C ATOM 0 H ALA A 79 1.378 -2.444 -8.797 1.00 0.00 H new ATOM 0 HA ALA A 79 0.497 -0.238 -7.014 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.531 0.952 -7.533 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.886 -0.538 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.180 -0.472 -8.380 1.00 0.00 H new ATOM 1230 N GLU A 80 -0.102 1.019 -9.168 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.486 1.707 -10.388 1.00 0.00 C ATOM 1232 C GLU A 80 -0.554 3.191 -10.088 1.00 0.00 C ATOM 1233 O GLU A 80 -1.052 3.573 -9.028 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.865 1.263 -10.909 1.00 0.00 C ATOM 1235 CG GLU A 80 -1.858 0.339 -12.129 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.079 0.859 -13.345 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -0.510 1.968 -13.299 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -1.023 0.131 -14.361 1.00 0.00 O ATOM 0 H GLU A 80 -0.358 1.521 -8.318 1.00 0.00 H new ATOM 0 HA GLU A 80 0.253 1.470 -11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.391 0.758 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.441 2.154 -11.157 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.437 -0.622 -11.833 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.889 0.156 -12.431 1.00 0.00 H new ATOM 1245 N MET A 81 -0.118 4.019 -11.034 1.00 0.00 N ATOM 1246 CA MET A 81 -0.263 5.453 -10.892 1.00 0.00 C ATOM 1247 C MET A 81 -1.714 5.796 -11.227 1.00 0.00 C ATOM 1248 O MET A 81 -2.269 5.267 -12.179 1.00 0.00 O ATOM 1249 CB MET A 81 0.768 6.207 -11.735 1.00 0.00 C ATOM 1250 CG MET A 81 0.550 6.202 -13.253 1.00 0.00 C ATOM 1251 SD MET A 81 1.304 7.624 -14.077 1.00 0.00 S ATOM 1252 CE MET A 81 2.991 7.466 -13.437 1.00 0.00 C ATOM 0 H MET A 81 0.334 3.719 -11.898 1.00 0.00 H new ATOM 0 HA MET A 81 -0.056 5.774 -9.871 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.792 7.243 -11.398 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.751 5.783 -11.531 1.00 0.00 H new ATOM 0 HG2 MET A 81 0.964 5.285 -13.671 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.520 6.193 -13.461 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.665 8.085 -14.030 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.018 7.793 -12.398 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.307 6.425 -13.498 1.00 0.00 H new ATOM 1262 N ASP A 82 -2.374 6.614 -10.415 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.829 6.819 -10.419 1.00 0.00 C ATOM 1264 C ASP A 82 -4.660 5.526 -10.419 1.00 0.00 C ATOM 1265 O ASP A 82 -5.871 5.532 -10.672 1.00 0.00 O ATOM 1266 CB ASP A 82 -4.345 7.754 -11.524 1.00 0.00 C ATOM 1267 CG ASP A 82 -5.654 8.432 -11.052 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -5.831 8.680 -9.835 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -6.556 8.681 -11.885 1.00 0.00 O ATOM 0 H ASP A 82 -1.899 7.176 -9.708 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.981 7.317 -9.461 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.594 8.509 -11.757 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.524 7.190 -12.439 1.00 0.00 H new ATOM 1274 N GLY A 83 -4.032 4.392 -10.132 1.00 0.00 N ATOM 1275 CA GLY A 83 -4.711 3.128 -10.082 1.00 0.00 C ATOM 1276 C GLY A 83 -5.109 2.561 -11.442 1.00 0.00 C ATOM 1277 O GLY A 83 -5.859 1.594 -11.432 1.00 0.00 O ATOM 0 H GLY A 83 -3.034 4.336 -9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.069 2.406 -9.577 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.608 3.237 -9.473 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.582 3.060 -12.567 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.139 2.990 -13.929 1.00 0.00 C ATOM 1283 C ILE A 84 -6.129 1.815 -14.124 1.00 0.00 C ATOM 1284 O ILE A 84 -7.339 2.020 -13.986 1.00 0.00 O ATOM 1285 CB ILE A 84 -3.920 3.040 -14.907 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -3.266 4.449 -14.841 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -4.163 2.538 -16.344 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -3.013 5.244 -16.120 1.00 0.00 C ATOM 0 H ILE A 84 -3.693 3.559 -12.551 1.00 0.00 H new ATOM 0 HA ILE A 84 -5.787 3.839 -14.146 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.215 2.291 -14.546 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.893 5.066 -14.197 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.306 4.335 -14.337 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.242 2.625 -16.920 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.477 1.495 -16.317 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.942 3.139 -16.813 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.552 6.199 -15.869 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.348 4.680 -16.773 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.959 5.421 -16.631 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.665 0.595 -14.404 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.542 -0.524 -14.755 1.00 0.00 C ATOM 1302 C GLN A 85 -7.001 -1.311 -13.528 1.00 0.00 C ATOM 1303 O GLN A 85 -8.189 -1.586 -13.347 1.00 0.00 O ATOM 1304 CB GLN A 85 -5.785 -1.470 -15.690 1.00 0.00 C ATOM 1305 CG GLN A 85 -5.966 -1.107 -17.162 1.00 0.00 C ATOM 1306 CD GLN A 85 -5.538 -2.290 -18.010 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -6.277 -3.267 -18.125 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -4.355 -2.247 -18.582 1.00 0.00 N ATOM 0 H GLN A 85 -4.674 0.356 -14.394 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.428 -0.112 -15.237 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.724 -1.449 -15.442 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.130 -2.491 -15.526 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.007 -0.854 -17.364 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.371 -0.228 -17.411 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.764 -1.424 -18.469 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.029 -3.037 -19.138 1.00 0.00 H new ATOM 1317 N TYR A 86 -6.029 -1.738 -12.728 1.00 0.00 N ATOM 1318 CA TYR A 86 -6.192 -2.552 -11.523 1.00 0.00 C ATOM 1319 C TYR A 86 -7.174 -1.921 -10.535 1.00 0.00 C ATOM 1320 O TYR A 86 -7.909 -2.620 -9.835 1.00 0.00 O ATOM 1321 CB TYR A 86 -4.816 -2.666 -10.875 1.00 0.00 C ATOM 1322 CG TYR A 86 -3.865 -3.500 -11.698 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -3.091 -2.923 -12.725 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.780 -4.875 -11.438 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -2.199 -3.707 -13.472 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -2.841 -5.653 -12.132 1.00 0.00 C ATOM 1327 CZ TYR A 86 -2.061 -5.081 -13.162 1.00 0.00 C ATOM 1328 OH TYR A 86 -1.179 -5.861 -13.843 1.00 0.00 O ATOM 0 H TYR A 86 -5.051 -1.514 -12.911 1.00 0.00 H new ATOM 0 HA TYR A 86 -6.597 -3.527 -11.793 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.397 -1.669 -10.738 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.919 -3.107 -9.884 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.185 -1.869 -12.939 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.433 -5.332 -10.709 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.625 -3.267 -14.274 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.714 -6.695 -11.878 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.217 -6.777 -13.496 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.176 -0.595 -10.454 1.00 0.00 N ATOM 1339 CA GLY A 87 -8.005 0.169 -9.552 1.00 0.00 C ATOM 1340 C GLY A 87 -9.463 -0.071 -9.876 1.00 0.00 C ATOM 1341 O GLY A 87 -9.841 -0.180 -11.042 1.00 0.00 O ATOM 0 H GLY A 87 -6.578 -0.010 -11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.799 -0.119 -8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.773 1.230 -9.639 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.276 -0.168 -8.822 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.716 -0.410 -8.861 1.00 0.00 C ATOM 1347 C ARG A 88 -12.128 -1.685 -9.616 1.00 0.00 C ATOM 1348 O ARG A 88 -13.319 -1.988 -9.672 1.00 0.00 O ATOM 1349 CB ARG A 88 -12.395 0.876 -9.362 1.00 0.00 C ATOM 1350 CG ARG A 88 -13.916 0.902 -9.157 1.00 0.00 C ATOM 1351 CD ARG A 88 -14.490 2.309 -8.960 1.00 0.00 C ATOM 1352 NE ARG A 88 -14.012 3.277 -9.961 1.00 0.00 N ATOM 1353 CZ ARG A 88 -14.002 4.605 -9.801 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -14.548 5.164 -8.725 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -13.436 5.370 -10.718 1.00 0.00 N ATOM 0 H ARG A 88 -9.927 -0.075 -7.868 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.069 -0.630 -7.853 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.955 1.730 -8.848 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -12.180 0.998 -10.424 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.397 0.441 -10.019 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.167 0.293 -8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.578 2.260 -9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.226 2.666 -7.964 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.662 2.907 -10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -14.981 4.579 -8.010 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -14.534 6.178 -8.614 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.010 4.947 -11.543 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.425 6.383 -10.601 1.00 0.00 H new ATOM 1369 N SER A 89 -11.194 -2.502 -10.108 1.00 0.00 N ATOM 1370 CA SER A 89 -11.498 -3.882 -10.441 1.00 0.00 C ATOM 1371 C SER A 89 -11.869 -4.603 -9.141 1.00 0.00 C ATOM 1372 O SER A 89 -11.241 -4.374 -8.106 1.00 0.00 O ATOM 1373 CB SER A 89 -10.287 -4.544 -11.102 1.00 0.00 C ATOM 1374 OG SER A 89 -9.968 -3.964 -12.354 1.00 0.00 O ATOM 0 H SER A 89 -10.227 -2.227 -10.282 1.00 0.00 H new ATOM 0 HA SER A 89 -12.327 -3.934 -11.147 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.426 -4.464 -10.438 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.487 -5.607 -11.238 1.00 0.00 H new ATOM 0 HG SER A 89 -9.356 -3.211 -12.219 1.00 0.00 H new ATOM 1380 N GLY A 90 -12.853 -5.501 -9.170 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.323 -6.239 -7.995 1.00 0.00 C ATOM 1382 C GLY A 90 -12.343 -7.314 -7.534 1.00 0.00 C ATOM 1383 O GLY A 90 -12.499 -7.891 -6.457 1.00 0.00 O ATOM 0 H GLY A 90 -13.355 -5.741 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.496 -5.538 -7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.282 -6.704 -8.224 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.308 -7.560 -8.338 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.124 -8.305 -7.956 1.00 0.00 C ATOM 1389 C ILE A 91 -9.343 -7.569 -6.861 1.00 0.00 C ATOM 1390 O ILE A 91 -8.642 -8.200 -6.068 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.286 -8.523 -9.235 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.274 -9.645 -9.024 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -8.581 -7.249 -9.732 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -7.448 -9.951 -10.271 1.00 0.00 C ATOM 0 H ILE A 91 -11.277 -7.232 -9.303 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.391 -9.271 -7.528 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.990 -8.807 -10.017 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.603 -9.372 -8.209 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.801 -10.548 -8.714 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.011 -7.476 -10.633 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.326 -6.485 -9.957 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.906 -6.882 -8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.748 -10.758 -10.055 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.111 -10.254 -11.081 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.895 -9.060 -10.569 1.00 0.00 H new ATOM 1406 N THR A 92 -9.430 -6.240 -6.827 1.00 0.00 N ATOM 1407 CA THR A 92 -8.591 -5.416 -5.991 1.00 0.00 C ATOM 1408 C THR A 92 -9.351 -5.121 -4.706 1.00 0.00 C ATOM 1409 O THR A 92 -10.462 -4.590 -4.747 1.00 0.00 O ATOM 1410 CB THR A 92 -8.183 -4.141 -6.730 1.00 0.00 C ATOM 1411 OG1 THR A 92 -7.628 -4.508 -7.980 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.127 -3.412 -5.901 1.00 0.00 C ATOM 0 H THR A 92 -10.096 -5.710 -7.389 1.00 0.00 H new ATOM 0 HA THR A 92 -7.665 -5.935 -5.743 1.00 0.00 H new ATOM 0 HB THR A 92 -9.045 -3.491 -6.881 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.986 -3.924 -8.681 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.826 -2.500 -6.416 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.542 -3.158 -4.926 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.259 -4.057 -5.769 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.786 -5.497 -3.563 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.490 -5.407 -2.291 1.00 0.00 C ATOM 1422 C LEU A 93 -9.321 -3.997 -1.725 1.00 0.00 C ATOM 1423 O LEU A 93 -10.317 -3.344 -1.399 1.00 0.00 O ATOM 1424 CB LEU A 93 -9.049 -6.511 -1.323 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.986 -7.910 -1.977 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.574 -8.943 -0.939 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -10.312 -8.367 -2.604 1.00 0.00 C ATOM 0 H LEU A 93 -7.839 -5.868 -3.493 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.555 -5.577 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.067 -6.261 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.740 -6.543 -0.480 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.255 -7.828 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.531 -9.928 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.593 -8.686 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.303 -8.956 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.185 -9.357 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.084 -8.406 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.609 -7.662 -3.381 1.00 0.00 H new ATOM 1439 N GLY A 94 -8.085 -3.501 -1.620 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.792 -2.168 -1.102 1.00 0.00 C ATOM 1441 C GLY A 94 -6.487 -1.646 -1.687 1.00 0.00 C ATOM 1442 O GLY A 94 -5.865 -2.290 -2.538 1.00 0.00 O ATOM 0 H GLY A 94 -7.253 -4.022 -1.896 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.607 -1.488 -1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.723 -2.201 -0.015 1.00 0.00 H new ATOM 1446 N VAL A 95 -6.091 -0.471 -1.218 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.763 0.104 -1.325 1.00 0.00 C ATOM 1448 C VAL A 95 -4.082 -0.118 0.022 1.00 0.00 C ATOM 1449 O VAL A 95 -4.731 -0.353 1.043 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.882 1.606 -1.694 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -3.541 2.336 -1.856 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -5.620 1.849 -3.001 1.00 0.00 C ATOM 0 H VAL A 95 -6.734 0.145 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.167 -0.362 -2.110 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.430 1.998 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.723 3.379 -2.114 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.984 2.285 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.962 1.862 -2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.667 2.920 -3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.092 1.353 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.631 1.449 -2.928 1.00 0.00 H new ATOM 1462 N LEU A 96 -2.762 -0.037 0.028 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.925 -0.167 1.193 1.00 0.00 C ATOM 1464 C LEU A 96 -1.191 1.141 1.405 1.00 0.00 C ATOM 1465 O LEU A 96 -0.898 1.874 0.456 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.929 -1.305 0.982 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.558 -2.701 0.969 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -0.487 -3.725 0.589 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -2.170 -3.111 2.307 1.00 0.00 C ATOM 0 H LEU A 96 -2.226 0.129 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.530 -0.394 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.408 -1.146 0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.178 -1.265 1.771 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.370 -2.671 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.926 -4.723 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.093 -3.490 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.322 -3.693 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.596 -4.111 2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.397 -3.111 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.954 -2.405 2.580 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.864 1.406 2.659 1.00 0.00 N ATOM 1482 CA VAL A 97 -0.267 2.649 3.127 1.00 0.00 C ATOM 1483 C VAL A 97 0.752 2.309 4.217 1.00 0.00 C ATOM 1484 O VAL A 97 0.623 1.246 4.842 1.00 0.00 O ATOM 1485 CB VAL A 97 -1.386 3.589 3.621 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -2.276 4.031 2.439 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -2.265 2.942 4.711 1.00 0.00 C ATOM 0 H VAL A 97 -1.013 0.734 3.411 1.00 0.00 H new ATOM 0 HA VAL A 97 0.260 3.172 2.329 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.895 4.456 4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.061 4.694 2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.668 4.558 1.703 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.728 3.154 1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.036 3.647 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.735 2.043 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.646 2.679 5.569 1.00 0.00 H new ATOM 1497 N PRO A 98 1.783 3.134 4.441 1.00 0.00 N ATOM 1498 CA PRO A 98 2.688 2.929 5.556 1.00 0.00 C ATOM 1499 C PRO A 98 1.944 3.248 6.854 1.00 0.00 C ATOM 1500 O PRO A 98 1.436 4.345 7.045 1.00 0.00 O ATOM 1501 CB PRO A 98 3.899 3.830 5.317 1.00 0.00 C ATOM 1502 CG PRO A 98 3.522 4.704 4.122 1.00 0.00 C ATOM 1503 CD PRO A 98 2.067 4.404 3.794 1.00 0.00 C ATOM 0 HA PRO A 98 3.036 1.900 5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.117 4.438 6.195 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.792 3.241 5.107 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.654 5.760 4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.163 4.487 3.268 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.410 5.190 4.165 1.00 0.00 H new ATOM 0 HD3 PRO A 98 1.911 4.340 2.717 1.00 0.00 H new ATOM 1511 N HIS A 99 1.843 2.263 7.740 1.00 0.00 N ATOM 1512 CA HIS A 99 1.279 2.424 9.065 1.00 0.00 C ATOM 1513 C HIS A 99 2.300 3.177 9.919 1.00 0.00 C ATOM 1514 O HIS A 99 3.266 2.569 10.385 1.00 0.00 O ATOM 1515 CB HIS A 99 0.943 1.037 9.644 1.00 0.00 C ATOM 1516 CG HIS A 99 0.691 0.989 11.128 1.00 0.00 C ATOM 1517 ND1 HIS A 99 0.915 -0.104 11.933 1.00 0.00 N ATOM 1518 CD2 HIS A 99 0.263 2.015 11.927 1.00 0.00 C ATOM 1519 CE1 HIS A 99 0.645 0.255 13.194 1.00 0.00 C ATOM 1520 NE2 HIS A 99 0.232 1.535 13.238 1.00 0.00 N ATOM 0 H HIS A 99 2.159 1.312 7.548 1.00 0.00 H new ATOM 0 HA HIS A 99 0.352 2.998 9.043 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.060 0.655 9.132 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.764 0.359 9.412 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -0.002 3.011 11.603 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.744 -0.391 14.054 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -0.050 2.055 14.069 1.00 0.00 H new ATOM 1528 N VAL A 100 2.048 4.461 10.180 1.00 0.00 N ATOM 1529 CA VAL A 100 2.906 5.335 10.982 1.00 0.00 C ATOM 1530 C VAL A 100 2.158 5.835 12.226 1.00 0.00 C ATOM 1531 O VAL A 100 2.047 7.029 12.479 1.00 0.00 O ATOM 1532 CB VAL A 100 3.490 6.454 10.095 1.00 0.00 C ATOM 1533 CG1 VAL A 100 4.361 5.874 8.974 1.00 0.00 C ATOM 1534 CG2 VAL A 100 2.398 7.318 9.455 1.00 0.00 C ATOM 0 H VAL A 100 1.216 4.936 9.829 1.00 0.00 H new ATOM 0 HA VAL A 100 3.760 4.777 11.366 1.00 0.00 H new ATOM 0 HB VAL A 100 4.093 7.076 10.756 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.759 6.686 8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.185 5.309 9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 100 3.759 5.214 8.350 1.00 0.00 H new ATOM 0 HG21 VAL A 100 2.859 8.091 8.841 1.00 0.00 H new ATOM 0 HG22 VAL A 100 1.758 6.693 8.832 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.799 7.785 10.237 1.00 0.00 H new ATOM 1544 N GLY A 101 1.581 4.923 13.005 1.00 0.00 N ATOM 1545 CA GLY A 101 1.000 5.235 14.304 1.00 0.00 C ATOM 1546 C GLY A 101 -0.376 5.912 14.289 1.00 0.00 C ATOM 1547 O GLY A 101 -0.892 6.244 15.357 1.00 0.00 O ATOM 0 H GLY A 101 1.504 3.939 12.748 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.919 4.309 14.874 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.693 5.881 14.842 1.00 0.00 H new ATOM 1551 N GLU A 102 -0.972 6.067 13.109 1.00 0.00 N ATOM 1552 CA GLU A 102 -2.165 6.844 12.757 1.00 0.00 C ATOM 1553 C GLU A 102 -3.487 6.439 13.441 1.00 0.00 C ATOM 1554 O GLU A 102 -4.518 7.026 13.119 1.00 0.00 O ATOM 1555 CB GLU A 102 -2.286 6.839 11.222 1.00 0.00 C ATOM 1556 CG GLU A 102 -1.203 7.737 10.603 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.041 7.579 9.087 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -1.277 6.455 8.587 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -0.677 8.577 8.421 1.00 0.00 O ATOM 0 H GLU A 102 -0.592 5.602 12.285 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.011 7.848 13.153 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.185 5.821 10.845 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -3.274 7.191 10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.441 8.778 10.824 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.249 7.519 11.083 1.00 0.00 H new ATOM 1566 N THR A 103 -3.495 5.443 14.332 1.00 0.00 N ATOM 1567 CA THR A 103 -4.640 4.953 15.097 1.00 0.00 C ATOM 1568 C THR A 103 -5.708 4.315 14.195 1.00 0.00 C ATOM 1569 O THR A 103 -6.555 5.011 13.625 1.00 0.00 O ATOM 1570 CB THR A 103 -5.199 6.071 15.977 1.00 0.00 C ATOM 1571 OG1 THR A 103 -4.241 6.445 16.944 1.00 0.00 O ATOM 1572 CG2 THR A 103 -6.476 5.680 16.725 1.00 0.00 C ATOM 0 H THR A 103 -2.644 4.925 14.551 1.00 0.00 H new ATOM 0 HA THR A 103 -4.299 4.153 15.754 1.00 0.00 H new ATOM 0 HB THR A 103 -5.437 6.890 15.298 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.604 7.163 17.504 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.816 6.521 17.329 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.251 5.413 16.007 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.272 4.827 17.373 1.00 0.00 H new ATOM 1580 N PRO A 104 -5.723 2.982 14.067 1.00 0.00 N ATOM 1581 CA PRO A 104 -6.691 2.306 13.229 1.00 0.00 C ATOM 1582 C PRO A 104 -8.080 2.260 13.850 1.00 0.00 C ATOM 1583 O PRO A 104 -8.297 2.506 15.041 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.125 0.908 13.027 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.401 0.644 14.339 1.00 0.00 C ATOM 1586 CD PRO A 104 -4.879 2.018 14.751 1.00 0.00 C ATOM 0 HA PRO A 104 -6.832 2.837 12.288 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.912 0.176 12.845 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.446 0.866 12.175 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.073 0.230 15.090 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.588 -0.071 14.210 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -4.932 2.149 15.832 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -3.834 2.141 14.466 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.004 1.868 12.983 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.410 1.672 13.252 1.00 0.00 C ATOM 1596 C ILE A 105 -10.749 0.180 13.167 1.00 0.00 C ATOM 1597 O ILE A 105 -11.668 -0.259 13.861 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.259 2.542 12.292 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -10.881 2.416 10.792 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.226 4.009 12.751 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -9.748 3.322 10.296 1.00 0.00 C ATOM 0 H ILE A 105 -8.769 1.667 12.011 1.00 0.00 H new ATOM 0 HA ILE A 105 -10.650 1.997 14.265 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.275 2.153 12.352 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.601 1.381 10.596 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -11.770 2.624 10.197 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -11.825 4.616 12.072 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.633 4.084 13.759 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.197 4.368 12.747 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -9.577 3.142 9.235 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -10.024 4.366 10.448 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.837 3.103 10.853 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.003 -0.613 12.388 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.200 -2.050 12.240 1.00 0.00 C ATOM 1615 C ALA A 106 -8.892 -2.726 11.833 1.00 0.00 C ATOM 1616 O ALA A 106 -7.890 -2.041 11.645 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.290 -2.299 11.194 1.00 0.00 C ATOM 0 H ALA A 106 -9.226 -0.258 11.831 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.514 -2.477 13.192 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.444 -3.372 11.077 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.220 -1.832 11.519 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.983 -1.870 10.240 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.892 -4.054 11.665 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.797 -4.830 11.068 1.00 0.00 C ATOM 1625 C TYR A 107 -8.365 -5.718 9.953 1.00 0.00 C ATOM 1626 O TYR A 107 -9.544 -6.084 9.985 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.062 -5.692 12.122 1.00 0.00 C ATOM 1628 CG TYR A 107 -5.971 -4.996 12.931 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.228 -3.801 13.629 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.677 -5.552 12.994 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.196 -3.116 14.286 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.657 -4.905 13.718 1.00 0.00 C ATOM 1633 CZ TYR A 107 -3.901 -3.667 14.342 1.00 0.00 C ATOM 1634 OH TYR A 107 -2.877 -3.028 14.969 1.00 0.00 O ATOM 0 H TYR A 107 -9.679 -4.637 11.950 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.065 -4.136 10.656 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.803 -6.086 12.817 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.616 -6.547 11.613 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.233 -3.407 13.659 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.467 -6.480 12.484 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.395 -2.162 14.751 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.681 -5.362 13.795 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.063 -3.569 14.900 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.531 -6.146 9.003 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.878 -7.060 7.914 1.00 0.00 C ATOM 1646 C ARG A 108 -6.804 -8.135 7.817 1.00 0.00 C ATOM 1647 O ARG A 108 -5.634 -7.808 7.980 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.974 -6.265 6.606 1.00 0.00 C ATOM 1649 CG ARG A 108 -8.951 -6.871 5.593 1.00 0.00 C ATOM 1650 CD ARG A 108 -10.394 -6.711 6.100 1.00 0.00 C ATOM 1651 NE ARG A 108 -11.414 -6.984 5.083 1.00 0.00 N ATOM 1652 CZ ARG A 108 -11.748 -8.172 4.576 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -10.975 -9.239 4.755 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -12.856 -8.302 3.861 1.00 0.00 N ATOM 0 H ARG A 108 -6.555 -5.853 8.971 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.840 -7.537 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -8.284 -5.245 6.832 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -6.984 -6.205 6.153 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -8.839 -6.379 4.627 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.724 -7.926 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.548 -7.382 6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.528 -5.695 6.471 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.924 -6.177 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.109 -9.158 5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.248 -10.139 4.359 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -13.455 -7.493 3.697 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.110 -9.211 3.474 1.00 0.00 H new ATOM 1668 N ASN A 109 -7.166 -9.390 7.550 1.00 0.00 N ATOM 1669 CA ASN A 109 -6.226 -10.489 7.383 1.00 0.00 C ATOM 1670 C ASN A 109 -6.141 -10.960 5.934 1.00 0.00 C ATOM 1671 O ASN A 109 -7.181 -11.206 5.311 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.659 -11.669 8.253 1.00 0.00 C ATOM 1673 CG ASN A 109 -5.467 -12.331 8.866 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -4.403 -12.350 8.279 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -5.624 -12.823 10.071 1.00 0.00 N ATOM 0 H ASN A 109 -8.140 -9.672 7.442 1.00 0.00 H new ATOM 0 HA ASN A 109 -5.244 -10.123 7.682 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.333 -11.323 9.036 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.213 -12.389 7.651 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.833 -13.245 10.557 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -6.538 -12.784 10.523 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.936 -11.184 5.423 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.637 -11.664 4.075 1.00 0.00 C ATOM 1684 C VAL A 110 -3.482 -12.674 4.158 1.00 0.00 C ATOM 1685 O VAL A 110 -2.959 -12.937 5.233 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.338 -10.469 3.133 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.653 -9.880 2.602 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -3.491 -9.350 3.766 1.00 0.00 C ATOM 0 H VAL A 110 -4.089 -11.027 5.970 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.498 -12.178 3.646 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.736 -10.879 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.435 -9.041 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.198 -10.646 2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -6.261 -9.535 3.438 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.332 -8.557 3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.013 -8.945 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.528 -9.755 4.078 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.121 -13.323 3.052 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.920 -14.137 2.908 1.00 0.00 C ATOM 1700 C LEU A 111 -1.028 -13.433 1.887 1.00 0.00 C ATOM 1701 O LEU A 111 -1.541 -12.805 0.955 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.330 -15.501 2.338 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.616 -16.664 3.291 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.368 -17.267 3.927 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -3.673 -16.396 4.359 1.00 0.00 C ATOM 0 H LEU A 111 -3.681 -13.294 2.200 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.407 -14.269 3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -3.224 -15.347 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.539 -15.822 1.660 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.044 -17.404 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -1.655 -18.085 4.588 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.709 -17.646 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.847 -16.502 4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -3.797 -17.284 4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.356 -15.560 4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.621 -16.153 3.880 1.00 0.00 H new ATOM 1717 N LEU A 112 0.279 -13.639 2.010 1.00 0.00 N ATOM 1718 CA LEU A 112 1.320 -13.219 1.069 1.00 0.00 C ATOM 1719 C LEU A 112 1.982 -14.487 0.534 1.00 0.00 C ATOM 1720 O LEU A 112 1.991 -15.506 1.227 1.00 0.00 O ATOM 1721 CB LEU A 112 2.390 -12.363 1.785 1.00 0.00 C ATOM 1722 CG LEU A 112 2.917 -11.132 1.019 1.00 0.00 C ATOM 1723 CD1 LEU A 112 4.215 -10.662 1.690 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.236 -11.361 -0.466 1.00 0.00 C ATOM 0 H LEU A 112 0.666 -14.132 2.815 1.00 0.00 H new ATOM 0 HA LEU A 112 0.881 -12.623 0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.975 -12.022 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.238 -13.006 2.021 1.00 0.00 H new ATOM 0 HG LEU A 112 2.107 -10.403 1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.603 -9.791 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.013 -10.396 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.952 -11.464 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.599 -10.433 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 112 4.002 -12.131 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.334 -11.682 -0.987 1.00 0.00 H new ATOM 1736 N ARG A 113 2.557 -14.467 -0.668 1.00 0.00 N ATOM 1737 CA ARG A 113 3.279 -15.618 -1.181 1.00 0.00 C ATOM 1738 C ARG A 113 4.466 -15.973 -0.305 1.00 0.00 C ATOM 1739 O ARG A 113 5.263 -15.116 0.076 1.00 0.00 O ATOM 1740 CB ARG A 113 3.725 -15.411 -2.625 1.00 0.00 C ATOM 1741 CG ARG A 113 4.527 -14.130 -2.883 1.00 0.00 C ATOM 1742 CD ARG A 113 3.729 -13.149 -3.753 1.00 0.00 C ATOM 1743 NE ARG A 113 4.512 -11.982 -4.186 1.00 0.00 N ATOM 1744 CZ ARG A 113 5.479 -11.996 -5.115 1.00 0.00 C ATOM 1745 NH1 ARG A 113 5.987 -13.141 -5.560 1.00 0.00 N ATOM 1746 NH2 ARG A 113 5.926 -10.842 -5.598 1.00 0.00 N ATOM 0 H ARG A 113 2.534 -13.666 -1.299 1.00 0.00 H new ATOM 0 HA ARG A 113 2.582 -16.456 -1.162 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.329 -16.266 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 113 2.842 -15.402 -3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 113 4.780 -13.657 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 113 5.467 -14.378 -3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 113 3.357 -13.675 -4.633 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.858 -12.806 -3.195 1.00 0.00 H new ATOM 0 HE ARG A 113 4.302 -11.088 -3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 113 5.642 -14.028 -5.194 1.00 0.00 H new ATOM 0 HH12 ARG A 113 6.722 -13.132 -6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 113 5.534 -9.962 -5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 113 6.661 -10.836 -6.305 1.00 0.00 H new