USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 712 hydrogens (62 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 16 TYR OH : rot 180:sc= -0.245 USER MOD Set 1.2: A 68 SER OG : rot 2:sc= 1.56! USER MOD Set 1.3: A 72 LYS NZ :NH3+ -127:sc= 1.96 (180deg=0) USER MOD Set 2.1: A 62 ASN : amide:sc= 0.128 K(o=1.5,f=0.56) USER MOD Set 2.2: A 64 ASN : amide:sc= 1.35 K(o=1.5,f=-3.9!) USER MOD Set 3.1: A 35 HIS :FLIP no HD1:sc= -4.33! C(o=-10!,f=-8.5!) USER MOD Set 3.2: A 36 ASN : amide:sc= -4.16! C(o=-8.5!,f=-10!) USER MOD Set 4.1: A 8 SER OG : rot 180:sc= -0.0114 USER MOD Set 4.2: A 9 LYS NZ :NH3+ 142:sc= 1.47 (180deg=-0.525!) USER MOD Set 5.1: A 1 LEU N :NH3+ -161:sc= -1.28 (180deg=-1.86!) USER MOD Set 5.2: A 49 ASN : amide:sc= -0.104! C(o=-1.4!,f=-16!) USER MOD Single : A 2 ASN : amide:sc= -0.708 K(o=-0.71,f=-3.5!) USER MOD Single : A 5 GLN : amide:sc= -0.33 X(o=-0.33,f=0) USER MOD Single : A 10 MET CE :methyl -104:sc= -4.12! (180deg=-7.83!) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= -2.38! (180deg=-2.55!) USER MOD Single : A 15 THR OG1 : rot -85:sc= -1.68 USER MOD Single : A 18 GLN : amide:sc= -2.85 K(o=-2.8,f=-3.4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.42 K(o=-1.4,f=-13!) USER MOD Single : A 37 GLN : amide:sc= -0.0341 K(o=-0.034,f=-1.2) USER MOD Single : A 39 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.91) USER MOD Single : A 40 SER OG : rot 180:sc= -0.4! USER MOD Single : A 41 SER OG : rot -30:sc= 1.07 USER MOD Single : A 45 GLN :FLIP amide:sc= -4.05! C(o=-5.6!,f=-4.1!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -122:sc= -2.36! (180deg=-7.63!) USER MOD Single : A 59 HIS : no HE2:sc= -0.26 K(o=-0.26,f=-5.2!) USER MOD Single : A 60 ASN : amide:sc= 0.359 K(o=0.36,f=-4.2!) USER MOD Single : A 65 ASN : amide:sc= -15.1! C(o=-15!,f=-22!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0957 K(o=-0.096,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= 0.728 K(o=0.73,f=-3.3!) USER MOD Single : A 79 TYR OH : rot -11:sc= -2.5! USER MOD Single : A 80 THR OG1 : rot 140:sc= -0.0124 USER MOD Single : A 82 SER OG : rot 180:sc= -0.206 USER MOD Single : A 88 SER OG : rot -24:sc= 0.467! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 COA O2B : rot -35:sc= 1.26 USER MOD Single : A 92 COA OAP : rot 101:sc= 0.119 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.272 9.611 2.289 1.00 0.00 N ATOM 2 CA LEU A 1 -7.676 10.067 3.579 1.00 0.00 C ATOM 3 C LEU A 1 -7.851 8.981 4.657 1.00 0.00 C ATOM 4 O LEU A 1 -8.574 8.038 4.392 1.00 0.00 O ATOM 5 CB LEU A 1 -8.367 11.420 3.999 1.00 0.00 C ATOM 6 CG LEU A 1 -9.938 11.431 3.969 1.00 0.00 C ATOM 7 CD1 LEU A 1 -10.549 10.605 5.109 1.00 0.00 C ATOM 8 CD2 LEU A 1 -10.386 12.877 4.184 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.883 10.176 1.508 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.045 8.608 2.137 1.00 0.00 H new ATOM 0 H3 LEU A 1 -9.305 9.731 2.322 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.606 10.238 3.464 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -8.041 11.673 5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -8.006 12.209 3.340 1.00 0.00 H new ATOM 0 HG LEU A 1 -10.263 11.009 3.018 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -11.636 10.644 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -10.218 9.570 5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -10.227 11.013 6.067 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -11.475 12.927 4.170 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -10.019 13.232 5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -9.984 13.505 3.389 1.00 0.00 H new ATOM 22 N ASN A 2 -7.208 9.163 5.790 1.00 0.00 N ATOM 23 CA ASN A 2 -7.277 8.193 6.941 1.00 0.00 C ATOM 24 C ASN A 2 -6.854 6.723 6.731 1.00 0.00 C ATOM 25 O ASN A 2 -7.705 5.863 6.660 1.00 0.00 O ATOM 26 CB ASN A 2 -8.740 8.270 7.486 1.00 0.00 C ATOM 27 CG ASN A 2 -8.962 9.598 8.186 1.00 0.00 C ATOM 28 OD1 ASN A 2 -8.632 10.659 7.709 1.00 0.00 O ATOM 29 ND2 ASN A 2 -9.530 9.607 9.343 1.00 0.00 N ATOM 0 H ASN A 2 -6.616 9.974 5.972 1.00 0.00 H new ATOM 0 HA ASN A 2 -6.502 8.519 7.634 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.449 8.159 6.666 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -8.923 7.449 8.179 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -9.688 10.491 9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -9.821 8.730 9.775 1.00 0.00 H new ATOM 36 N CYS A 3 -5.572 6.447 6.644 1.00 0.00 N ATOM 37 CA CYS A 3 -5.168 5.015 6.438 1.00 0.00 C ATOM 38 C CYS A 3 -4.183 4.361 7.441 1.00 0.00 C ATOM 39 O CYS A 3 -3.711 3.293 7.124 1.00 0.00 O ATOM 40 CB CYS A 3 -4.599 4.930 5.030 1.00 0.00 C ATOM 41 SG CYS A 3 -5.338 5.945 3.738 1.00 0.00 S ATOM 0 H CYS A 3 -4.811 7.124 6.704 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.073 4.433 6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.540 5.184 5.085 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.661 3.890 4.710 1.00 0.00 H new ATOM 46 N GLY A 4 -3.890 4.952 8.581 1.00 0.00 N ATOM 47 CA GLY A 4 -2.925 4.353 9.612 1.00 0.00 C ATOM 48 C GLY A 4 -2.407 2.925 9.308 1.00 0.00 C ATOM 49 O GLY A 4 -1.218 2.700 9.154 1.00 0.00 O ATOM 0 H GLY A 4 -4.283 5.851 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.066 5.017 9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.423 4.339 10.581 1.00 0.00 H new ATOM 53 N GLN A 5 -3.347 2.005 9.242 1.00 0.00 N ATOM 54 CA GLN A 5 -3.097 0.541 8.946 1.00 0.00 C ATOM 55 C GLN A 5 -1.922 0.389 7.926 1.00 0.00 C ATOM 56 O GLN A 5 -0.986 -0.381 8.060 1.00 0.00 O ATOM 57 CB GLN A 5 -4.414 -0.105 8.331 1.00 0.00 C ATOM 58 CG GLN A 5 -5.754 0.416 9.003 1.00 0.00 C ATOM 59 CD GLN A 5 -7.028 -0.276 8.461 1.00 0.00 C ATOM 60 OE1 GLN A 5 -8.124 0.228 8.580 1.00 0.00 O ATOM 61 NE2 GLN A 5 -6.981 -1.425 7.863 1.00 0.00 N ATOM 0 H GLN A 5 -4.333 2.219 9.389 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.832 0.032 9.873 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.447 0.108 7.262 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.361 -1.188 8.439 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -5.695 0.259 10.080 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.838 1.491 8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.086 -1.897 7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.839 -1.857 7.521 1.00 0.00 H new ATOM 70 N VAL A 6 -2.068 1.189 6.906 1.00 0.00 N ATOM 71 CA VAL A 6 -1.104 1.260 5.777 1.00 0.00 C ATOM 72 C VAL A 6 0.296 1.348 6.330 1.00 0.00 C ATOM 73 O VAL A 6 1.075 0.441 6.161 1.00 0.00 O ATOM 74 CB VAL A 6 -1.375 2.511 4.913 1.00 0.00 C ATOM 75 CG1 VAL A 6 -0.436 2.439 3.730 1.00 0.00 C ATOM 76 CG2 VAL A 6 -2.746 2.471 4.354 1.00 0.00 C ATOM 0 H VAL A 6 -2.858 1.827 6.808 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.217 0.368 5.161 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.244 3.406 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.592 3.306 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.595 2.430 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.633 1.529 3.164 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.918 3.361 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.860 1.582 3.734 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.470 2.441 5.168 1.00 0.00 H new ATOM 86 N ASP A 7 0.572 2.441 6.974 1.00 0.00 N ATOM 87 CA ASP A 7 1.905 2.662 7.572 1.00 0.00 C ATOM 88 C ASP A 7 2.360 1.424 8.334 1.00 0.00 C ATOM 89 O ASP A 7 3.395 0.824 8.093 1.00 0.00 O ATOM 90 CB ASP A 7 1.739 3.860 8.476 1.00 0.00 C ATOM 91 CG ASP A 7 3.051 4.185 9.147 1.00 0.00 C ATOM 92 OD1 ASP A 7 3.568 3.404 9.928 1.00 0.00 O ATOM 93 OD2 ASP A 7 3.532 5.248 8.833 1.00 0.00 O ATOM 0 H ASP A 7 -0.088 3.206 7.113 1.00 0.00 H new ATOM 0 HA ASP A 7 2.675 2.844 6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.394 4.717 7.898 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.977 3.656 9.228 1.00 0.00 H new ATOM 98 N SER A 8 1.459 1.105 9.219 1.00 0.00 N ATOM 99 CA SER A 8 1.660 -0.063 10.131 1.00 0.00 C ATOM 100 C SER A 8 2.290 -1.255 9.435 1.00 0.00 C ATOM 101 O SER A 8 3.241 -1.807 9.963 1.00 0.00 O ATOM 102 CB SER A 8 0.321 -0.496 10.755 1.00 0.00 C ATOM 103 OG SER A 8 0.749 -1.465 11.715 1.00 0.00 O ATOM 0 H SER A 8 0.581 1.607 9.354 1.00 0.00 H new ATOM 0 HA SER A 8 2.349 0.271 10.907 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.202 0.339 11.221 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.356 -0.924 10.016 1.00 0.00 H new ATOM 0 HG SER A 8 -0.031 -1.822 12.190 1.00 0.00 H new ATOM 109 N LYS A 9 1.766 -1.667 8.297 1.00 0.00 N ATOM 110 CA LYS A 9 2.417 -2.850 7.625 1.00 0.00 C ATOM 111 C LYS A 9 3.014 -2.529 6.243 1.00 0.00 C ATOM 112 O LYS A 9 3.447 -3.437 5.563 1.00 0.00 O ATOM 113 CB LYS A 9 1.411 -4.041 7.395 1.00 0.00 C ATOM 114 CG LYS A 9 0.269 -4.250 8.419 1.00 0.00 C ATOM 115 CD LYS A 9 0.646 -3.944 9.877 1.00 0.00 C ATOM 116 CE LYS A 9 1.925 -4.605 10.373 1.00 0.00 C ATOM 117 NZ LYS A 9 2.486 -3.654 11.383 1.00 0.00 N ATOM 0 H LYS A 9 0.959 -1.262 7.823 1.00 0.00 H new ATOM 0 HA LYS A 9 3.210 -3.126 8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.956 -3.906 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.992 -4.962 7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.573 -3.619 8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.072 -5.283 8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.748 -2.865 9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.177 -4.255 10.520 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.719 -5.578 10.819 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.626 -4.771 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.898 -4.190 12.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.224 -3.071 10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.727 -3.039 11.740 1.00 0.00 H new ATOM 131 N MET A 10 3.035 -1.295 5.839 1.00 0.00 N ATOM 132 CA MET A 10 3.597 -0.942 4.506 1.00 0.00 C ATOM 133 C MET A 10 4.762 0.038 4.609 1.00 0.00 C ATOM 134 O MET A 10 5.450 0.262 3.631 1.00 0.00 O ATOM 135 CB MET A 10 2.433 -0.379 3.679 1.00 0.00 C ATOM 136 CG MET A 10 1.249 -1.415 3.657 1.00 0.00 C ATOM 137 SD MET A 10 0.451 -1.625 2.052 1.00 0.00 S ATOM 138 CE MET A 10 1.774 -2.635 1.330 1.00 0.00 C ATOM 0 H MET A 10 2.683 -0.505 6.380 1.00 0.00 H new ATOM 0 HA MET A 10 4.021 -1.822 4.023 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.095 0.566 4.105 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.765 -0.169 2.662 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.626 -2.383 3.988 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.498 -1.101 4.382 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.361 -2.027 0.641 1.00 0.00 H new ATOM 0 HE2 MET A 10 2.420 -3.010 2.124 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.337 -3.475 0.791 1.00 0.00 H new ATOM 148 N LYS A 11 4.962 0.611 5.769 1.00 0.00 N ATOM 149 CA LYS A 11 6.091 1.561 5.913 1.00 0.00 C ATOM 150 C LYS A 11 7.387 1.020 5.245 1.00 0.00 C ATOM 151 O LYS A 11 7.912 1.719 4.403 1.00 0.00 O ATOM 152 CB LYS A 11 6.287 1.815 7.419 1.00 0.00 C ATOM 153 CG LYS A 11 7.629 2.557 7.593 1.00 0.00 C ATOM 154 CD LYS A 11 7.546 4.033 7.042 1.00 0.00 C ATOM 155 CE LYS A 11 6.403 4.904 7.662 1.00 0.00 C ATOM 156 NZ LYS A 11 6.108 4.442 9.050 1.00 0.00 N ATOM 0 H LYS A 11 4.399 0.462 6.606 1.00 0.00 H new ATOM 0 HA LYS A 11 5.865 2.496 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.465 2.410 7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.295 0.874 7.969 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.902 2.576 8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.417 2.015 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.500 4.528 7.225 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.409 3.995 5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.699 5.953 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.506 4.833 7.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.502 5.140 9.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.618 3.525 9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.998 4.338 9.578 1.00 0.00 H new ATOM 170 N PRO A 12 7.879 -0.156 5.604 1.00 0.00 N ATOM 171 CA PRO A 12 9.019 -0.810 4.879 1.00 0.00 C ATOM 172 C PRO A 12 8.862 -0.801 3.334 1.00 0.00 C ATOM 173 O PRO A 12 9.809 -0.699 2.579 1.00 0.00 O ATOM 174 CB PRO A 12 9.083 -2.227 5.509 1.00 0.00 C ATOM 175 CG PRO A 12 7.683 -2.414 6.149 1.00 0.00 C ATOM 176 CD PRO A 12 7.397 -1.027 6.725 1.00 0.00 C ATOM 0 HA PRO A 12 9.958 -0.270 5.000 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.284 -2.990 4.757 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.876 -2.298 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.936 -2.710 5.412 1.00 0.00 H new ATOM 0 HG3 PRO A 12 7.689 -3.182 6.923 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.339 -0.878 6.939 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.939 -0.845 7.653 1.00 0.00 H new ATOM 184 N CYS A 13 7.638 -0.876 2.883 1.00 0.00 N ATOM 185 CA CYS A 13 7.445 -0.884 1.382 1.00 0.00 C ATOM 186 C CYS A 13 7.443 0.573 0.837 1.00 0.00 C ATOM 187 O CYS A 13 7.879 0.863 -0.267 1.00 0.00 O ATOM 188 CB CYS A 13 6.119 -1.607 1.051 1.00 0.00 C ATOM 189 SG CYS A 13 5.761 -3.251 1.728 1.00 0.00 S ATOM 0 H CYS A 13 6.791 -0.930 3.449 1.00 0.00 H new ATOM 0 HA CYS A 13 8.266 -1.417 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.309 -0.949 1.365 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.061 -1.689 -0.034 1.00 0.00 H new ATOM 194 N LEU A 14 6.940 1.479 1.628 1.00 0.00 N ATOM 195 CA LEU A 14 6.891 2.930 1.238 1.00 0.00 C ATOM 196 C LEU A 14 8.388 3.315 1.169 1.00 0.00 C ATOM 197 O LEU A 14 8.916 3.756 0.162 1.00 0.00 O ATOM 198 CB LEU A 14 6.133 3.677 2.360 1.00 0.00 C ATOM 199 CG LEU A 14 5.658 5.090 2.030 1.00 0.00 C ATOM 200 CD1 LEU A 14 4.956 5.606 3.331 1.00 0.00 C ATOM 201 CD2 LEU A 14 6.867 5.994 1.763 1.00 0.00 C ATOM 0 H LEU A 14 6.551 1.277 2.549 1.00 0.00 H new ATOM 0 HA LEU A 14 6.383 3.162 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.265 3.081 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.781 3.729 3.235 1.00 0.00 H new ATOM 0 HG LEU A 14 5.006 5.096 1.156 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.588 6.619 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.120 4.951 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.671 5.607 4.154 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.523 7.001 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.501 6.025 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.437 5.600 0.922 1.00 0.00 H new ATOM 213 N THR A 15 9.029 3.113 2.303 1.00 0.00 N ATOM 214 CA THR A 15 10.496 3.418 2.435 1.00 0.00 C ATOM 215 C THR A 15 11.110 2.845 1.161 1.00 0.00 C ATOM 216 O THR A 15 11.765 3.577 0.445 1.00 0.00 O ATOM 217 CB THR A 15 11.071 2.748 3.733 1.00 0.00 C ATOM 218 OG1 THR A 15 10.519 1.460 3.821 1.00 0.00 O ATOM 219 CG2 THR A 15 10.512 3.386 5.001 1.00 0.00 C ATOM 0 H THR A 15 8.594 2.747 3.150 1.00 0.00 H new ATOM 0 HA THR A 15 10.715 4.481 2.536 1.00 0.00 H new ATOM 0 HB THR A 15 12.157 2.818 3.668 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.645 1.508 4.261 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.937 2.892 5.875 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.772 4.444 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.427 3.278 5.015 1.00 0.00 H new ATOM 227 N TYR A 16 10.890 1.581 0.896 1.00 0.00 N ATOM 228 CA TYR A 16 11.454 0.969 -0.360 1.00 0.00 C ATOM 229 C TYR A 16 11.261 1.924 -1.578 1.00 0.00 C ATOM 230 O TYR A 16 12.243 2.317 -2.170 1.00 0.00 O ATOM 231 CB TYR A 16 10.732 -0.393 -0.642 1.00 0.00 C ATOM 232 CG TYR A 16 11.292 -1.211 -1.835 1.00 0.00 C ATOM 233 CD1 TYR A 16 12.597 -1.659 -1.901 1.00 0.00 C ATOM 234 CD2 TYR A 16 10.454 -1.526 -2.879 1.00 0.00 C ATOM 235 CE1 TYR A 16 13.042 -2.404 -2.986 1.00 0.00 C ATOM 236 CE2 TYR A 16 10.903 -2.265 -3.955 1.00 0.00 C ATOM 237 CZ TYR A 16 12.195 -2.708 -4.017 1.00 0.00 C ATOM 238 OH TYR A 16 12.640 -3.439 -5.102 1.00 0.00 O ATOM 0 H TYR A 16 10.350 0.947 1.485 1.00 0.00 H new ATOM 0 HA TYR A 16 12.522 0.803 -0.218 1.00 0.00 H new ATOM 0 HB2 TYR A 16 10.790 -1.008 0.256 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.676 -0.194 -0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.281 -1.427 -1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.428 -1.190 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 16 14.066 -2.746 -3.016 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.223 -2.497 -4.761 1.00 0.00 H new ATOM 0 HH TYR A 16 11.904 -3.562 -5.738 1.00 0.00 H new ATOM 248 N VAL A 17 10.058 2.309 -1.953 1.00 0.00 N ATOM 249 CA VAL A 17 9.909 3.238 -3.160 1.00 0.00 C ATOM 250 C VAL A 17 10.601 4.605 -3.116 1.00 0.00 C ATOM 251 O VAL A 17 11.037 5.097 -4.147 1.00 0.00 O ATOM 252 CB VAL A 17 8.412 3.489 -3.463 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.836 2.155 -3.790 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.594 4.083 -2.326 1.00 0.00 C ATOM 0 H VAL A 17 9.186 2.037 -1.499 1.00 0.00 H new ATOM 0 HA VAL A 17 10.432 2.680 -3.937 1.00 0.00 H new ATOM 0 HB VAL A 17 8.365 4.227 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.775 2.262 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.351 1.739 -4.656 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.960 1.486 -2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.562 4.215 -2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.621 3.411 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.012 5.049 -2.043 1.00 0.00 H new ATOM 264 N GLN A 18 10.670 5.199 -1.951 1.00 0.00 N ATOM 265 CA GLN A 18 11.358 6.538 -1.865 1.00 0.00 C ATOM 266 C GLN A 18 12.883 6.361 -1.601 1.00 0.00 C ATOM 267 O GLN A 18 13.646 7.304 -1.655 1.00 0.00 O ATOM 268 CB GLN A 18 10.651 7.391 -0.744 1.00 0.00 C ATOM 269 CG GLN A 18 10.289 6.580 0.525 1.00 0.00 C ATOM 270 CD GLN A 18 9.596 7.427 1.616 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.546 7.044 2.764 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.028 8.569 1.347 1.00 0.00 N ATOM 0 H GLN A 18 10.294 4.834 -1.076 1.00 0.00 H new ATOM 0 HA GLN A 18 11.273 7.068 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.305 8.216 -0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.742 7.831 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.634 5.755 0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.197 6.141 0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.043 8.934 0.395 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.568 9.097 2.089 1.00 0.00 H new ATOM 281 N GLY A 19 13.266 5.142 -1.311 1.00 0.00 N ATOM 282 CA GLY A 19 14.703 4.775 -1.043 1.00 0.00 C ATOM 283 C GLY A 19 15.130 4.682 0.432 1.00 0.00 C ATOM 284 O GLY A 19 16.128 5.255 0.822 1.00 0.00 O ATOM 0 H GLY A 19 12.622 4.354 -1.246 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.902 3.813 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 19 15.339 5.510 -1.535 1.00 0.00 H new ATOM 288 N GLY A 20 14.353 3.964 1.200 1.00 0.00 N ATOM 289 CA GLY A 20 14.606 3.748 2.678 1.00 0.00 C ATOM 290 C GLY A 20 14.689 2.243 3.059 1.00 0.00 C ATOM 291 O GLY A 20 14.785 1.405 2.186 1.00 0.00 O ATOM 0 H GLY A 20 13.515 3.494 0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.536 4.242 2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.809 4.220 3.252 1.00 0.00 H new ATOM 295 N PRO A 21 14.659 1.901 4.337 1.00 0.00 N ATOM 296 CA PRO A 21 14.931 0.488 4.838 1.00 0.00 C ATOM 297 C PRO A 21 14.051 -0.764 4.414 1.00 0.00 C ATOM 298 O PRO A 21 13.657 -1.581 5.230 1.00 0.00 O ATOM 299 CB PRO A 21 14.958 0.702 6.371 1.00 0.00 C ATOM 300 CG PRO A 21 13.934 1.842 6.565 1.00 0.00 C ATOM 301 CD PRO A 21 14.357 2.830 5.468 1.00 0.00 C ATOM 0 HA PRO A 21 15.835 0.138 4.340 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.670 -0.199 6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.950 0.983 6.725 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.908 1.498 6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 21 13.996 2.283 7.560 1.00 0.00 H new ATOM 0 HD2 PRO A 21 13.563 3.534 5.221 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.226 3.420 5.759 1.00 0.00 H new ATOM 309 N GLY A 22 13.778 -0.879 3.137 1.00 0.00 N ATOM 310 CA GLY A 22 12.964 -2.008 2.543 1.00 0.00 C ATOM 311 C GLY A 22 13.738 -2.600 1.333 1.00 0.00 C ATOM 312 O GLY A 22 14.463 -1.871 0.686 1.00 0.00 O ATOM 0 H GLY A 22 14.100 -0.205 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.787 -2.780 3.292 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.988 -1.643 2.224 1.00 0.00 H new ATOM 316 N PRO A 23 13.596 -3.869 1.017 1.00 0.00 N ATOM 317 CA PRO A 23 12.581 -4.815 1.541 1.00 0.00 C ATOM 318 C PRO A 23 13.070 -5.746 2.690 1.00 0.00 C ATOM 319 O PRO A 23 14.169 -6.273 2.697 1.00 0.00 O ATOM 320 CB PRO A 23 12.180 -5.539 0.264 1.00 0.00 C ATOM 321 CG PRO A 23 13.556 -5.723 -0.468 1.00 0.00 C ATOM 322 CD PRO A 23 14.462 -4.549 0.021 1.00 0.00 C ATOM 0 HA PRO A 23 11.753 -4.324 2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.700 -6.495 0.473 1.00 0.00 H new ATOM 0 HB3 PRO A 23 11.479 -4.954 -0.331 1.00 0.00 H new ATOM 0 HG2 PRO A 23 14.002 -6.688 -0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 23 13.430 -5.694 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.388 -4.910 0.468 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.741 -3.884 -0.796 1.00 0.00 H new ATOM 330 N SER A 24 12.168 -5.894 3.619 1.00 0.00 N ATOM 331 CA SER A 24 12.353 -6.740 4.847 1.00 0.00 C ATOM 332 C SER A 24 11.215 -7.775 4.844 1.00 0.00 C ATOM 333 O SER A 24 10.120 -7.404 4.479 1.00 0.00 O ATOM 334 CB SER A 24 12.259 -5.831 6.088 1.00 0.00 C ATOM 335 OG SER A 24 13.437 -5.046 5.966 1.00 0.00 O ATOM 0 H SER A 24 11.256 -5.438 3.578 1.00 0.00 H new ATOM 0 HA SER A 24 13.320 -7.242 4.862 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.357 -5.219 6.078 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.245 -6.405 7.015 1.00 0.00 H new ATOM 0 HG SER A 24 13.488 -4.415 6.714 1.00 0.00 H new ATOM 341 N GLY A 25 11.449 -9.013 5.221 1.00 0.00 N ATOM 342 CA GLY A 25 10.355 -10.080 5.243 1.00 0.00 C ATOM 343 C GLY A 25 8.909 -9.572 5.478 1.00 0.00 C ATOM 344 O GLY A 25 7.975 -9.852 4.741 1.00 0.00 O ATOM 0 H GLY A 25 12.364 -9.348 5.522 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.380 -10.616 4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.596 -10.802 6.023 1.00 0.00 H new ATOM 348 N GLU A 26 8.816 -8.828 6.553 1.00 0.00 N ATOM 349 CA GLU A 26 7.528 -8.210 7.008 1.00 0.00 C ATOM 350 C GLU A 26 6.754 -7.525 5.867 1.00 0.00 C ATOM 351 O GLU A 26 5.541 -7.486 5.874 1.00 0.00 O ATOM 352 CB GLU A 26 7.894 -7.228 8.168 1.00 0.00 C ATOM 353 CG GLU A 26 8.741 -5.993 7.708 1.00 0.00 C ATOM 354 CD GLU A 26 9.459 -5.248 8.876 1.00 0.00 C ATOM 355 OE1 GLU A 26 9.410 -5.687 10.015 1.00 0.00 O ATOM 356 OE2 GLU A 26 10.039 -4.244 8.503 1.00 0.00 O ATOM 0 H GLU A 26 9.610 -8.616 7.157 1.00 0.00 H new ATOM 0 HA GLU A 26 6.841 -8.979 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.975 -6.873 8.634 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.449 -7.773 8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.489 -6.326 6.988 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.089 -5.291 7.189 1.00 0.00 H new ATOM 363 N CYS A 27 7.450 -7.000 4.892 1.00 0.00 N ATOM 364 CA CYS A 27 6.718 -6.335 3.778 1.00 0.00 C ATOM 365 C CYS A 27 6.215 -7.474 2.883 1.00 0.00 C ATOM 366 O CYS A 27 5.034 -7.542 2.657 1.00 0.00 O ATOM 367 CB CYS A 27 7.670 -5.413 3.011 1.00 0.00 C ATOM 368 SG CYS A 27 7.180 -3.667 3.105 1.00 0.00 S ATOM 0 H CYS A 27 8.467 -7.002 4.820 1.00 0.00 H new ATOM 0 HA CYS A 27 5.892 -5.718 4.132 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.678 -5.525 3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.704 -5.721 1.966 1.00 0.00 H new ATOM 373 N CYS A 28 7.057 -8.335 2.388 1.00 0.00 N ATOM 374 CA CYS A 28 6.501 -9.435 1.528 1.00 0.00 C ATOM 375 C CYS A 28 5.218 -10.064 2.107 1.00 0.00 C ATOM 376 O CYS A 28 4.233 -10.242 1.410 1.00 0.00 O ATOM 377 CB CYS A 28 7.593 -10.464 1.362 1.00 0.00 C ATOM 378 SG CYS A 28 8.921 -9.915 0.267 1.00 0.00 S ATOM 0 H CYS A 28 8.067 -8.336 2.528 1.00 0.00 H new ATOM 0 HA CYS A 28 6.201 -9.024 0.564 1.00 0.00 H new ATOM 0 HB2 CYS A 28 8.011 -10.703 2.340 1.00 0.00 H new ATOM 0 HB3 CYS A 28 7.161 -11.384 0.967 1.00 0.00 H new ATOM 383 N ASN A 29 5.240 -10.373 3.380 1.00 0.00 N ATOM 384 CA ASN A 29 3.992 -10.984 3.952 1.00 0.00 C ATOM 385 C ASN A 29 2.992 -9.866 4.211 1.00 0.00 C ATOM 386 O ASN A 29 1.879 -9.983 3.743 1.00 0.00 O ATOM 387 CB ASN A 29 4.312 -11.783 5.272 1.00 0.00 C ATOM 388 CG ASN A 29 5.195 -11.060 6.257 1.00 0.00 C ATOM 389 OD1 ASN A 29 4.956 -9.952 6.667 1.00 0.00 O ATOM 390 ND2 ASN A 29 6.258 -11.643 6.694 1.00 0.00 N ATOM 0 H ASN A 29 6.021 -10.240 4.022 1.00 0.00 H new ATOM 0 HA ASN A 29 3.568 -11.698 3.246 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.372 -12.032 5.765 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.790 -12.725 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.863 -11.166 7.363 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.495 -12.581 6.371 1.00 0.00 H new ATOM 397 N GLY A 30 3.372 -8.837 4.920 1.00 0.00 N ATOM 398 CA GLY A 30 2.443 -7.691 5.204 1.00 0.00 C ATOM 399 C GLY A 30 1.661 -7.378 3.931 1.00 0.00 C ATOM 400 O GLY A 30 0.451 -7.416 3.913 1.00 0.00 O ATOM 0 H GLY A 30 4.303 -8.736 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.761 -7.948 6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.007 -6.816 5.527 1.00 0.00 H new ATOM 404 N VAL A 31 2.412 -7.090 2.903 1.00 0.00 N ATOM 405 CA VAL A 31 1.883 -6.761 1.547 1.00 0.00 C ATOM 406 C VAL A 31 0.994 -7.938 1.123 1.00 0.00 C ATOM 407 O VAL A 31 -0.100 -7.695 0.685 1.00 0.00 O ATOM 408 CB VAL A 31 3.024 -6.618 0.496 1.00 0.00 C ATOM 409 CG1 VAL A 31 2.419 -6.153 -0.839 1.00 0.00 C ATOM 410 CG2 VAL A 31 3.952 -5.455 0.847 1.00 0.00 C ATOM 0 H VAL A 31 3.431 -7.069 2.954 1.00 0.00 H new ATOM 0 HA VAL A 31 1.346 -5.814 1.592 1.00 0.00 H new ATOM 0 HB VAL A 31 3.537 -7.579 0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.211 -6.050 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.691 -6.888 -1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.925 -5.191 -0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.739 -5.378 0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.380 -4.527 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.399 -5.629 1.826 1.00 0.00 H new ATOM 420 N ARG A 32 1.419 -9.177 1.224 1.00 0.00 N ATOM 421 CA ARG A 32 0.550 -10.353 0.814 1.00 0.00 C ATOM 422 C ARG A 32 -0.821 -10.282 1.524 1.00 0.00 C ATOM 423 O ARG A 32 -1.889 -10.299 0.927 1.00 0.00 O ATOM 424 CB ARG A 32 1.299 -11.646 1.198 1.00 0.00 C ATOM 425 CG ARG A 32 0.941 -12.854 0.259 1.00 0.00 C ATOM 426 CD ARG A 32 -0.581 -13.126 0.091 1.00 0.00 C ATOM 427 NE ARG A 32 -1.140 -13.962 1.234 1.00 0.00 N ATOM 428 CZ ARG A 32 -1.023 -13.639 2.470 1.00 0.00 C ATOM 429 NH1 ARG A 32 0.135 -13.685 2.992 1.00 0.00 N ATOM 430 NH2 ARG A 32 -2.054 -13.288 3.136 1.00 0.00 N ATOM 0 H ARG A 32 2.341 -9.436 1.576 1.00 0.00 H new ATOM 0 HA ARG A 32 0.363 -10.334 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.373 -11.465 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.059 -11.908 2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.373 -12.671 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.414 -13.754 0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.115 -12.177 0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.755 -13.641 -0.854 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.634 -14.825 1.005 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.937 -13.972 2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.263 -13.435 3.972 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.969 -13.265 2.685 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.963 -13.031 4.119 1.00 0.00 H new ATOM 444 N ASP A 33 -0.751 -10.213 2.819 1.00 0.00 N ATOM 445 CA ASP A 33 -2.012 -10.130 3.584 1.00 0.00 C ATOM 446 C ASP A 33 -2.706 -8.898 3.076 1.00 0.00 C ATOM 447 O ASP A 33 -3.769 -9.068 2.537 1.00 0.00 O ATOM 448 CB ASP A 33 -1.616 -10.097 5.051 1.00 0.00 C ATOM 449 CG ASP A 33 -1.383 -11.556 5.310 1.00 0.00 C ATOM 450 OD1 ASP A 33 -0.294 -12.060 5.102 1.00 0.00 O ATOM 451 OD2 ASP A 33 -2.389 -12.126 5.687 1.00 0.00 O ATOM 0 H ASP A 33 0.108 -10.211 3.370 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.704 -10.964 3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.722 -9.498 5.225 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -2.403 -9.685 5.683 1.00 0.00 H new ATOM 456 N LEU A 34 -2.153 -7.724 3.212 1.00 0.00 N ATOM 457 CA LEU A 34 -2.802 -6.478 2.710 1.00 0.00 C ATOM 458 C LEU A 34 -3.549 -6.854 1.394 1.00 0.00 C ATOM 459 O LEU A 34 -4.735 -6.637 1.267 1.00 0.00 O ATOM 460 CB LEU A 34 -1.664 -5.455 2.481 1.00 0.00 C ATOM 461 CG LEU A 34 -1.388 -4.361 3.586 1.00 0.00 C ATOM 462 CD1 LEU A 34 -2.505 -3.327 3.720 1.00 0.00 C ATOM 463 CD2 LEU A 34 -1.151 -4.905 4.983 1.00 0.00 C ATOM 0 H LEU A 34 -1.251 -7.572 3.664 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.527 -6.043 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.741 -6.016 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.872 -4.934 1.546 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.473 -3.904 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.245 -2.609 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.633 -2.805 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.435 -3.829 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.971 -4.078 5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.028 -5.463 5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.283 -5.565 4.974 1.00 0.00 H new ATOM 475 N HIS A 35 -2.816 -7.408 0.454 1.00 0.00 N ATOM 476 CA HIS A 35 -3.361 -7.839 -0.873 1.00 0.00 C ATOM 477 C HIS A 35 -4.706 -8.523 -0.754 1.00 0.00 C ATOM 478 O HIS A 35 -5.612 -8.105 -1.449 1.00 0.00 O ATOM 479 CB HIS A 35 -2.222 -8.703 -1.494 1.00 0.00 C ATOM 480 CG HIS A 35 -2.546 -10.080 -2.070 1.00 0.00 C ATOM 481 ND1 HIS A 35 -3.678 -10.838 -2.324 1.00 0.00 N flip ATOM 482 CD2 HIS A 35 -1.580 -10.837 -2.444 1.00 0.00 C flip ATOM 483 CE1 HIS A 35 -3.340 -12.006 -2.835 1.00 0.00 C flip ATOM 484 NE2 HIS A 35 -2.033 -11.968 -2.892 1.00 0.00 N flip ATOM 0 H HIS A 35 -1.817 -7.585 0.561 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.600 -7.004 -1.531 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.765 -8.116 -2.291 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.462 -8.842 -0.725 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.535 -10.570 -2.393 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.993 -12.811 -3.138 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.448 -12.727 -3.242 1.00 0.00 H new ATOM 492 N ASN A 36 -4.817 -9.520 0.089 1.00 0.00 N ATOM 493 CA ASN A 36 -6.163 -10.202 0.215 1.00 0.00 C ATOM 494 C ASN A 36 -7.027 -9.649 1.374 1.00 0.00 C ATOM 495 O ASN A 36 -8.215 -9.880 1.441 1.00 0.00 O ATOM 496 CB ASN A 36 -5.965 -11.767 0.385 1.00 0.00 C ATOM 497 CG ASN A 36 -4.679 -12.219 1.033 1.00 0.00 C ATOM 498 OD1 ASN A 36 -4.550 -12.483 2.205 1.00 0.00 O ATOM 499 ND2 ASN A 36 -3.630 -12.341 0.297 1.00 0.00 N ATOM 0 H ASN A 36 -4.071 -9.888 0.679 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.706 -9.989 -0.706 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.797 -12.154 0.973 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.030 -12.228 -0.601 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.749 -12.647 0.711 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.679 -12.132 -0.700 1.00 0.00 H new ATOM 506 N GLN A 37 -6.421 -8.923 2.268 1.00 0.00 N ATOM 507 CA GLN A 37 -7.124 -8.312 3.447 1.00 0.00 C ATOM 508 C GLN A 37 -7.878 -7.014 3.106 1.00 0.00 C ATOM 509 O GLN A 37 -8.972 -6.758 3.567 1.00 0.00 O ATOM 510 CB GLN A 37 -6.112 -7.937 4.547 1.00 0.00 C ATOM 511 CG GLN A 37 -5.293 -9.135 5.066 1.00 0.00 C ATOM 512 CD GLN A 37 -6.035 -9.919 6.123 1.00 0.00 C ATOM 513 OE1 GLN A 37 -7.098 -9.581 6.591 1.00 0.00 O ATOM 514 NE2 GLN A 37 -5.479 -11.003 6.530 1.00 0.00 N ATOM 0 H GLN A 37 -5.423 -8.715 2.234 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.834 -9.072 3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.429 -7.182 4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.647 -7.484 5.382 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.048 -9.794 4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.349 -8.777 5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.583 -11.294 6.140 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.934 -11.573 7.243 1.00 0.00 H new ATOM 523 N ALA A 38 -7.252 -6.228 2.279 1.00 0.00 N ATOM 524 CA ALA A 38 -7.779 -4.910 1.826 1.00 0.00 C ATOM 525 C ALA A 38 -8.695 -4.848 0.564 1.00 0.00 C ATOM 526 O ALA A 38 -8.618 -3.944 -0.260 1.00 0.00 O ATOM 527 CB ALA A 38 -6.488 -4.073 1.694 1.00 0.00 C ATOM 0 H ALA A 38 -6.344 -6.460 1.876 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.512 -4.542 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.740 -3.066 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.987 -4.022 2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.825 -4.540 0.966 1.00 0.00 H new ATOM 533 N GLN A 39 -9.540 -5.838 0.482 1.00 0.00 N ATOM 534 CA GLN A 39 -10.525 -5.975 -0.640 1.00 0.00 C ATOM 535 C GLN A 39 -11.873 -6.395 0.003 1.00 0.00 C ATOM 536 O GLN A 39 -12.596 -7.267 -0.448 1.00 0.00 O ATOM 537 CB GLN A 39 -9.937 -7.032 -1.627 1.00 0.00 C ATOM 538 CG GLN A 39 -9.799 -8.438 -0.992 1.00 0.00 C ATOM 539 CD GLN A 39 -9.084 -9.396 -1.945 1.00 0.00 C ATOM 540 OE1 GLN A 39 -8.865 -10.544 -1.639 1.00 0.00 O ATOM 541 NE2 GLN A 39 -8.694 -9.010 -3.123 1.00 0.00 N ATOM 0 H GLN A 39 -9.593 -6.588 1.171 1.00 0.00 H new ATOM 0 HA GLN A 39 -10.701 -5.061 -1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -10.578 -7.097 -2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -8.959 -6.696 -1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.244 -8.367 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -10.786 -8.830 -0.748 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.857 -8.050 -3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.225 -9.668 -3.746 1.00 0.00 H new ATOM 550 N SER A 40 -12.149 -5.696 1.074 1.00 0.00 N ATOM 551 CA SER A 40 -13.392 -5.907 1.893 1.00 0.00 C ATOM 552 C SER A 40 -14.444 -4.793 1.698 1.00 0.00 C ATOM 553 O SER A 40 -15.524 -5.042 1.199 1.00 0.00 O ATOM 554 CB SER A 40 -12.955 -6.007 3.403 1.00 0.00 C ATOM 555 OG SER A 40 -12.702 -4.675 3.865 1.00 0.00 O ATOM 0 H SER A 40 -11.542 -4.958 1.431 1.00 0.00 H new ATOM 0 HA SER A 40 -13.878 -6.825 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.737 -6.478 3.999 1.00 0.00 H new ATOM 0 HB3 SER A 40 -12.062 -6.624 3.504 1.00 0.00 H new ATOM 0 HG SER A 40 -12.428 -4.701 4.806 1.00 0.00 H new ATOM 561 N SER A 41 -14.109 -3.594 2.093 1.00 0.00 N ATOM 562 CA SER A 41 -15.074 -2.448 1.940 1.00 0.00 C ATOM 563 C SER A 41 -14.514 -1.229 1.185 1.00 0.00 C ATOM 564 O SER A 41 -15.156 -0.201 1.155 1.00 0.00 O ATOM 565 CB SER A 41 -15.536 -2.052 3.366 1.00 0.00 C ATOM 566 OG SER A 41 -16.585 -1.105 3.176 1.00 0.00 O ATOM 0 H SER A 41 -13.213 -3.351 2.515 1.00 0.00 H new ATOM 0 HA SER A 41 -15.903 -2.784 1.317 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.888 -2.922 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.716 -1.620 3.939 1.00 0.00 H new ATOM 0 HG SER A 41 -16.434 -0.612 2.342 1.00 0.00 H new ATOM 572 N GLY A 42 -13.357 -1.364 0.598 1.00 0.00 N ATOM 573 CA GLY A 42 -12.736 -0.214 -0.166 1.00 0.00 C ATOM 574 C GLY A 42 -11.348 0.108 0.366 1.00 0.00 C ATOM 575 O GLY A 42 -10.709 1.063 -0.021 1.00 0.00 O ATOM 0 H GLY A 42 -12.803 -2.220 0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.674 -0.467 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.373 0.667 -0.086 1.00 0.00 H new ATOM 579 N ASP A 43 -10.937 -0.726 1.270 1.00 0.00 N ATOM 580 CA ASP A 43 -9.619 -0.654 1.948 1.00 0.00 C ATOM 581 C ASP A 43 -8.533 -0.125 1.000 1.00 0.00 C ATOM 582 O ASP A 43 -8.082 0.987 1.157 1.00 0.00 O ATOM 583 CB ASP A 43 -9.249 -2.054 2.414 1.00 0.00 C ATOM 584 CG ASP A 43 -10.435 -2.830 2.942 1.00 0.00 C ATOM 585 OD1 ASP A 43 -11.206 -3.277 2.104 1.00 0.00 O ATOM 586 OD2 ASP A 43 -10.519 -2.940 4.141 1.00 0.00 O ATOM 0 H ASP A 43 -11.505 -1.511 1.587 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.687 0.032 2.792 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.803 -2.602 1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.491 -1.984 3.194 1.00 0.00 H new ATOM 591 N ARG A 44 -8.155 -0.935 0.024 1.00 0.00 N ATOM 592 CA ARG A 44 -7.101 -0.530 -0.950 1.00 0.00 C ATOM 593 C ARG A 44 -7.393 0.737 -1.787 1.00 0.00 C ATOM 594 O ARG A 44 -6.552 1.168 -2.547 1.00 0.00 O ATOM 595 CB ARG A 44 -6.819 -1.795 -1.825 1.00 0.00 C ATOM 596 CG ARG A 44 -5.482 -2.430 -1.317 1.00 0.00 C ATOM 597 CD ARG A 44 -5.037 -3.646 -2.147 1.00 0.00 C ATOM 598 NE ARG A 44 -5.865 -4.838 -1.749 1.00 0.00 N ATOM 599 CZ ARG A 44 -6.638 -5.386 -2.594 1.00 0.00 C ATOM 600 NH1 ARG A 44 -7.783 -4.886 -2.666 1.00 0.00 N ATOM 601 NH2 ARG A 44 -6.275 -6.363 -3.308 1.00 0.00 N ATOM 0 H ARG A 44 -8.542 -1.866 -0.131 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.218 -0.208 -0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.638 -2.509 -1.742 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.739 -1.523 -2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.696 -1.675 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.603 -2.732 -0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.158 -3.441 -3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.979 -3.849 -1.980 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.805 -5.206 -0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.033 -4.097 -2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.466 -5.268 -3.320 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.331 -6.739 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.926 -6.776 -3.976 1.00 0.00 H new ATOM 615 N GLN A 45 -8.566 1.273 -1.611 1.00 0.00 N ATOM 616 CA GLN A 45 -9.040 2.512 -2.290 1.00 0.00 C ATOM 617 C GLN A 45 -8.764 3.586 -1.170 1.00 0.00 C ATOM 618 O GLN A 45 -8.107 4.565 -1.470 1.00 0.00 O ATOM 619 CB GLN A 45 -10.575 2.331 -2.665 1.00 0.00 C ATOM 620 CG GLN A 45 -10.782 1.095 -3.647 1.00 0.00 C ATOM 621 CD GLN A 45 -10.220 1.344 -5.027 1.00 0.00 C ATOM 622 OE1 GLN A 45 -9.473 2.362 -5.269 1.00 0.00 O flip ATOM 623 NE2 GLN A 45 -10.443 0.612 -5.961 1.00 0.00 N flip ATOM 0 H GLN A 45 -9.261 0.873 -0.980 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.562 2.779 -3.232 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.159 2.180 -1.757 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.947 3.241 -3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.305 0.213 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.846 0.875 -3.727 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.029 -0.213 -5.834 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.045 0.819 -6.877 1.00 0.00 H new ATOM 632 N THR A 46 -9.239 3.409 0.055 1.00 0.00 N ATOM 633 CA THR A 46 -8.974 4.414 1.190 1.00 0.00 C ATOM 634 C THR A 46 -7.436 4.594 1.117 1.00 0.00 C ATOM 635 O THR A 46 -6.829 5.659 1.097 1.00 0.00 O ATOM 636 CB THR A 46 -9.377 3.806 2.601 1.00 0.00 C ATOM 637 OG1 THR A 46 -10.791 3.926 2.734 1.00 0.00 O ATOM 638 CG2 THR A 46 -8.815 4.633 3.804 1.00 0.00 C ATOM 0 H THR A 46 -9.806 2.607 0.331 1.00 0.00 H new ATOM 0 HA THR A 46 -9.543 5.338 1.086 1.00 0.00 H new ATOM 0 HB THR A 46 -8.989 2.788 2.628 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.071 3.556 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.124 4.169 4.741 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.726 4.657 3.752 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.203 5.651 3.759 1.00 0.00 H new ATOM 646 N VAL A 47 -6.845 3.432 1.075 1.00 0.00 N ATOM 647 CA VAL A 47 -5.374 3.314 0.985 1.00 0.00 C ATOM 648 C VAL A 47 -4.938 4.046 -0.309 1.00 0.00 C ATOM 649 O VAL A 47 -4.085 4.900 -0.212 1.00 0.00 O ATOM 650 CB VAL A 47 -5.038 1.784 0.982 1.00 0.00 C ATOM 651 CG1 VAL A 47 -4.294 1.341 -0.232 1.00 0.00 C ATOM 652 CG2 VAL A 47 -4.160 1.442 2.093 1.00 0.00 C ATOM 0 H VAL A 47 -7.339 2.540 1.100 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.838 3.769 1.818 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.011 1.296 1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.095 0.271 -0.167 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.892 1.545 -1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.350 1.882 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.942 0.374 2.069 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.230 2.005 2.009 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.650 1.691 3.034 1.00 0.00 H new ATOM 662 N CYS A 48 -5.482 3.723 -1.468 1.00 0.00 N ATOM 663 CA CYS A 48 -5.051 4.451 -2.719 1.00 0.00 C ATOM 664 C CYS A 48 -4.971 5.959 -2.403 1.00 0.00 C ATOM 665 O CYS A 48 -4.023 6.622 -2.761 1.00 0.00 O ATOM 666 CB CYS A 48 -6.051 4.168 -3.828 1.00 0.00 C ATOM 667 SG CYS A 48 -5.412 4.588 -5.461 1.00 0.00 S ATOM 0 H CYS A 48 -6.191 3.002 -1.602 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.071 4.111 -3.053 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.321 3.112 -3.808 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -6.964 4.734 -3.642 1.00 0.00 H new ATOM 672 N ASN A 49 -5.996 6.450 -1.748 1.00 0.00 N ATOM 673 CA ASN A 49 -6.052 7.891 -1.334 1.00 0.00 C ATOM 674 C ASN A 49 -4.713 8.212 -0.685 1.00 0.00 C ATOM 675 O ASN A 49 -4.062 9.183 -1.018 1.00 0.00 O ATOM 676 CB ASN A 49 -7.170 8.084 -0.324 1.00 0.00 C ATOM 677 CG ASN A 49 -8.104 9.167 -0.772 1.00 0.00 C ATOM 678 OD1 ASN A 49 -8.194 10.204 -0.149 1.00 0.00 O ATOM 679 ND2 ASN A 49 -8.818 8.989 -1.827 1.00 0.00 N ATOM 0 H ASN A 49 -6.813 5.903 -1.477 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.241 8.542 -2.187 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.720 7.151 -0.199 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -6.749 8.339 0.649 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.459 9.719 -2.138 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.744 8.118 -2.352 1.00 0.00 H new ATOM 686 N CYS A 50 -4.331 7.376 0.250 1.00 0.00 N ATOM 687 CA CYS A 50 -3.009 7.654 0.897 1.00 0.00 C ATOM 688 C CYS A 50 -1.907 7.458 -0.181 1.00 0.00 C ATOM 689 O CYS A 50 -1.042 8.307 -0.264 1.00 0.00 O ATOM 690 CB CYS A 50 -2.884 6.709 2.110 1.00 0.00 C ATOM 691 SG CYS A 50 -3.864 7.299 3.515 1.00 0.00 S ATOM 0 H CYS A 50 -4.843 6.558 0.580 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.907 8.673 1.271 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -3.214 5.709 1.829 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.837 6.628 2.403 1.00 0.00 H new ATOM 696 N LEU A 51 -1.900 6.401 -0.967 1.00 0.00 N ATOM 697 CA LEU A 51 -0.820 6.247 -2.036 1.00 0.00 C ATOM 698 C LEU A 51 -0.635 7.616 -2.750 1.00 0.00 C ATOM 699 O LEU A 51 0.409 8.234 -2.792 1.00 0.00 O ATOM 700 CB LEU A 51 -1.190 5.239 -3.209 1.00 0.00 C ATOM 701 CG LEU A 51 -1.330 3.740 -2.856 1.00 0.00 C ATOM 702 CD1 LEU A 51 -0.244 2.952 -3.627 1.00 0.00 C ATOM 703 CD2 LEU A 51 -1.470 3.459 -1.355 1.00 0.00 C ATOM 0 H LEU A 51 -2.580 5.642 -0.926 1.00 0.00 H new ATOM 0 HA LEU A 51 0.057 5.876 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.131 5.569 -3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.427 5.331 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.291 3.360 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.327 1.891 -3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.381 3.097 -4.699 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.743 3.312 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.563 2.385 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.589 3.830 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.358 3.962 -0.972 1.00 0.00 H new ATOM 715 N LYS A 52 -1.749 8.016 -3.306 1.00 0.00 N ATOM 716 CA LYS A 52 -1.909 9.289 -4.069 1.00 0.00 C ATOM 717 C LYS A 52 -1.073 10.364 -3.390 1.00 0.00 C ATOM 718 O LYS A 52 -0.241 11.008 -3.998 1.00 0.00 O ATOM 719 CB LYS A 52 -3.433 9.609 -4.075 1.00 0.00 C ATOM 720 CG LYS A 52 -4.211 8.722 -5.096 1.00 0.00 C ATOM 721 CD LYS A 52 -4.661 9.454 -6.407 1.00 0.00 C ATOM 722 CE LYS A 52 -3.510 9.827 -7.353 1.00 0.00 C ATOM 723 NZ LYS A 52 -2.760 10.960 -6.761 1.00 0.00 N ATOM 0 H LYS A 52 -2.610 7.472 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.561 9.225 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.840 9.454 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.582 10.660 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.583 7.874 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.095 8.318 -4.603 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.363 8.815 -6.943 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.200 10.361 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.850 8.972 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.900 10.102 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.760 11.761 -7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.213 11.248 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.780 10.667 -6.572 1.00 0.00 H new ATOM 737 N GLY A 53 -1.317 10.517 -2.115 1.00 0.00 N ATOM 738 CA GLY A 53 -0.553 11.550 -1.336 1.00 0.00 C ATOM 739 C GLY A 53 0.898 11.152 -1.169 1.00 0.00 C ATOM 740 O GLY A 53 1.720 11.940 -1.576 1.00 0.00 O ATOM 0 H GLY A 53 -2.002 9.982 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.612 12.511 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.011 11.682 -0.356 1.00 0.00 H new ATOM 744 N ILE A 54 1.218 10.008 -0.624 1.00 0.00 N ATOM 745 CA ILE A 54 2.681 9.636 -0.474 1.00 0.00 C ATOM 746 C ILE A 54 3.416 10.029 -1.785 1.00 0.00 C ATOM 747 O ILE A 54 4.406 10.727 -1.819 1.00 0.00 O ATOM 748 CB ILE A 54 2.727 8.083 -0.150 1.00 0.00 C ATOM 749 CG1 ILE A 54 3.863 7.656 0.810 1.00 0.00 C ATOM 750 CG2 ILE A 54 2.941 7.186 -1.397 1.00 0.00 C ATOM 751 CD1 ILE A 54 4.336 8.750 1.764 1.00 0.00 C ATOM 0 H ILE A 54 0.552 9.317 -0.278 1.00 0.00 H new ATOM 0 HA ILE A 54 3.187 10.162 0.335 1.00 0.00 H new ATOM 0 HB ILE A 54 1.745 7.938 0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.523 6.803 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.713 7.317 0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.961 6.139 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.125 7.344 -2.103 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.887 7.444 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.133 8.361 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.711 9.597 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.503 9.075 2.387 1.00 0.00 H new ATOM 763 N ALA A 55 2.883 9.579 -2.885 1.00 0.00 N ATOM 764 CA ALA A 55 3.487 9.890 -4.219 1.00 0.00 C ATOM 765 C ALA A 55 3.515 11.427 -4.398 1.00 0.00 C ATOM 766 O ALA A 55 4.470 11.958 -4.925 1.00 0.00 O ATOM 767 CB ALA A 55 2.630 9.193 -5.262 1.00 0.00 C ATOM 0 H ALA A 55 2.043 9.001 -2.922 1.00 0.00 H new ATOM 0 HA ALA A 55 4.514 9.537 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.033 9.391 -6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.633 8.119 -5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.608 9.568 -5.203 1.00 0.00 H new ATOM 773 N ARG A 56 2.481 12.094 -3.952 1.00 0.00 N ATOM 774 CA ARG A 56 2.400 13.586 -4.054 1.00 0.00 C ATOM 775 C ARG A 56 3.334 14.294 -3.006 1.00 0.00 C ATOM 776 O ARG A 56 3.759 15.414 -3.239 1.00 0.00 O ATOM 777 CB ARG A 56 0.872 13.983 -3.872 1.00 0.00 C ATOM 778 CG ARG A 56 0.597 15.114 -2.825 1.00 0.00 C ATOM 779 CD ARG A 56 1.161 16.460 -3.303 1.00 0.00 C ATOM 780 NE ARG A 56 1.678 17.170 -2.077 1.00 0.00 N ATOM 781 CZ ARG A 56 1.600 18.436 -1.932 1.00 0.00 C ATOM 782 NH1 ARG A 56 0.498 18.954 -1.576 1.00 0.00 N ATOM 783 NH2 ARG A 56 2.658 19.096 -2.164 1.00 0.00 N ATOM 0 H ARG A 56 1.671 11.658 -3.511 1.00 0.00 H new ATOM 0 HA ARG A 56 2.759 13.925 -5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.478 14.300 -4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.315 13.094 -3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.476 15.205 -2.657 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.048 14.846 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.960 16.309 -4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.389 17.051 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 56 2.107 16.617 -1.335 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.314 18.360 -1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.424 19.964 -1.457 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.509 18.612 -2.449 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.658 20.111 -2.065 1.00 0.00 H new ATOM 797 N GLY A 57 3.662 13.667 -1.901 1.00 0.00 N ATOM 798 CA GLY A 57 4.541 14.305 -0.861 1.00 0.00 C ATOM 799 C GLY A 57 6.005 14.053 -1.130 1.00 0.00 C ATOM 800 O GLY A 57 6.832 14.917 -0.911 1.00 0.00 O ATOM 0 H GLY A 57 3.353 12.723 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.356 15.379 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.280 13.916 0.123 1.00 0.00 H new ATOM 804 N ILE A 58 6.273 12.874 -1.608 1.00 0.00 N ATOM 805 CA ILE A 58 7.668 12.498 -1.911 1.00 0.00 C ATOM 806 C ILE A 58 8.264 13.119 -3.202 1.00 0.00 C ATOM 807 O ILE A 58 8.494 14.305 -3.340 1.00 0.00 O ATOM 808 CB ILE A 58 7.742 10.962 -2.021 1.00 0.00 C ATOM 809 CG1 ILE A 58 7.041 10.225 -0.895 1.00 0.00 C ATOM 810 CG2 ILE A 58 9.273 10.553 -2.000 1.00 0.00 C ATOM 811 CD1 ILE A 58 6.853 8.797 -1.491 1.00 0.00 C ATOM 0 H ILE A 58 5.578 12.153 -1.801 1.00 0.00 H new ATOM 0 HA ILE A 58 8.268 12.898 -1.094 1.00 0.00 H new ATOM 0 HB ILE A 58 7.233 10.680 -2.943 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.641 10.209 0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.087 10.687 -0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 58 9.361 9.469 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.786 11.019 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 58 9.727 10.889 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 58 6.350 8.162 -0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.250 8.857 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.827 8.372 -1.732 1.00 0.00 H new ATOM 823 N HIS A 59 8.500 12.254 -4.146 1.00 0.00 N ATOM 824 CA HIS A 59 9.089 12.559 -5.464 1.00 0.00 C ATOM 825 C HIS A 59 8.328 11.919 -6.643 1.00 0.00 C ATOM 826 O HIS A 59 7.220 11.427 -6.540 1.00 0.00 O ATOM 827 CB HIS A 59 10.500 12.034 -5.287 1.00 0.00 C ATOM 828 CG HIS A 59 11.323 12.808 -4.253 1.00 0.00 C ATOM 829 ND1 HIS A 59 11.042 13.958 -3.741 1.00 0.00 N ATOM 830 CD2 HIS A 59 12.517 12.460 -3.655 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.970 14.309 -2.906 1.00 0.00 C ATOM 832 NE2 HIS A 59 12.909 13.402 -2.821 1.00 0.00 N ATOM 0 H HIS A 59 8.285 11.263 -4.035 1.00 0.00 H new ATOM 0 HA HIS A 59 9.047 13.615 -5.732 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.453 10.986 -4.990 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.014 12.070 -6.247 1.00 0.00 H new ATOM 0 HD1 HIS A 59 10.213 14.510 -3.960 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.055 11.543 -3.844 1.00 0.00 H new ATOM 0 HE1 HIS A 59 11.968 15.235 -2.350 1.00 0.00 H new ATOM 840 N ASN A 60 9.001 11.930 -7.761 1.00 0.00 N ATOM 841 CA ASN A 60 8.465 11.342 -9.035 1.00 0.00 C ATOM 842 C ASN A 60 9.003 9.893 -8.851 1.00 0.00 C ATOM 843 O ASN A 60 9.813 9.387 -9.600 1.00 0.00 O ATOM 844 CB ASN A 60 9.124 12.082 -10.239 1.00 0.00 C ATOM 845 CG ASN A 60 9.430 13.529 -9.870 1.00 0.00 C ATOM 846 OD1 ASN A 60 10.242 13.806 -9.014 1.00 0.00 O ATOM 847 ND2 ASN A 60 8.835 14.509 -10.455 1.00 0.00 N ATOM 0 H ASN A 60 9.933 12.335 -7.852 1.00 0.00 H new ATOM 0 HA ASN A 60 7.393 11.404 -9.220 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.043 11.572 -10.529 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.457 12.053 -11.101 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.055 15.470 -10.192 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.144 14.325 -11.182 1.00 0.00 H new ATOM 854 N LEU A 61 8.468 9.364 -7.780 1.00 0.00 N ATOM 855 CA LEU A 61 8.669 8.019 -7.173 1.00 0.00 C ATOM 856 C LEU A 61 9.212 6.879 -8.034 1.00 0.00 C ATOM 857 O LEU A 61 8.899 6.728 -9.196 1.00 0.00 O ATOM 858 CB LEU A 61 7.298 7.681 -6.547 1.00 0.00 C ATOM 859 CG LEU A 61 7.380 6.556 -5.512 1.00 0.00 C ATOM 860 CD1 LEU A 61 8.315 6.983 -4.378 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.970 6.370 -4.923 1.00 0.00 C ATOM 0 H LEU A 61 7.801 9.906 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 61 9.498 8.096 -6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.889 8.574 -6.075 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.604 7.392 -7.337 1.00 0.00 H new ATOM 0 HG LEU A 61 7.748 5.639 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.377 6.185 -3.638 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.308 7.182 -4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.927 7.886 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.989 5.574 -4.179 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.647 7.299 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.275 6.106 -5.720 1.00 0.00 H new ATOM 873 N ASN A 62 10.001 6.047 -7.409 1.00 0.00 N ATOM 874 CA ASN A 62 10.592 4.913 -8.160 1.00 0.00 C ATOM 875 C ASN A 62 9.601 3.764 -8.077 1.00 0.00 C ATOM 876 O ASN A 62 9.913 2.663 -7.666 1.00 0.00 O ATOM 877 CB ASN A 62 11.938 4.611 -7.484 1.00 0.00 C ATOM 878 CG ASN A 62 12.777 3.619 -8.271 1.00 0.00 C ATOM 879 OD1 ASN A 62 13.890 3.326 -7.903 1.00 0.00 O ATOM 880 ND2 ASN A 62 12.354 3.050 -9.353 1.00 0.00 N ATOM 0 H ASN A 62 10.257 6.105 -6.423 1.00 0.00 H new ATOM 0 HA ASN A 62 10.776 5.111 -9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 62 12.497 5.539 -7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.758 4.216 -6.484 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.953 2.391 -9.850 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.422 3.261 -9.709 1.00 0.00 H new ATOM 887 N LEU A 63 8.393 4.056 -8.480 1.00 0.00 N ATOM 888 CA LEU A 63 7.327 3.010 -8.449 1.00 0.00 C ATOM 889 C LEU A 63 7.794 1.749 -9.175 1.00 0.00 C ATOM 890 O LEU A 63 7.351 0.661 -8.886 1.00 0.00 O ATOM 891 CB LEU A 63 6.056 3.587 -9.094 1.00 0.00 C ATOM 892 CG LEU A 63 5.289 4.426 -8.047 1.00 0.00 C ATOM 893 CD1 LEU A 63 4.107 5.060 -8.762 1.00 0.00 C ATOM 894 CD2 LEU A 63 4.700 3.504 -6.951 1.00 0.00 C ATOM 0 H LEU A 63 8.098 4.968 -8.828 1.00 0.00 H new ATOM 0 HA LEU A 63 7.110 2.728 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.318 4.206 -9.952 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.424 2.780 -9.465 1.00 0.00 H new ATOM 0 HG LEU A 63 5.961 5.158 -7.600 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.536 5.664 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.469 5.694 -9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.467 4.278 -9.171 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.162 4.107 -6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.015 2.789 -7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.508 2.967 -6.455 1.00 0.00 H new ATOM 906 N ASN A 64 8.687 1.926 -10.109 1.00 0.00 N ATOM 907 CA ASN A 64 9.243 0.768 -10.894 1.00 0.00 C ATOM 908 C ASN A 64 9.607 -0.324 -9.853 1.00 0.00 C ATOM 909 O ASN A 64 9.356 -1.502 -10.018 1.00 0.00 O ATOM 910 CB ASN A 64 10.507 1.241 -11.675 1.00 0.00 C ATOM 911 CG ASN A 64 10.359 2.696 -12.081 1.00 0.00 C ATOM 912 OD1 ASN A 64 10.416 3.574 -11.250 1.00 0.00 O ATOM 913 ND2 ASN A 64 10.166 3.029 -13.309 1.00 0.00 N ATOM 0 H ASN A 64 9.066 2.836 -10.372 1.00 0.00 H new ATOM 0 HA ASN A 64 8.531 0.379 -11.622 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.394 1.118 -11.054 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.649 0.622 -12.561 1.00 0.00 H new ATOM 0 HD21 ASN A 64 10.065 4.012 -13.561 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.114 2.310 -14.030 1.00 0.00 H new ATOM 920 N ASN A 65 10.198 0.134 -8.771 1.00 0.00 N ATOM 921 CA ASN A 65 10.630 -0.734 -7.633 1.00 0.00 C ATOM 922 C ASN A 65 9.351 -1.287 -6.970 1.00 0.00 C ATOM 923 O ASN A 65 9.248 -2.465 -6.702 1.00 0.00 O ATOM 924 CB ASN A 65 11.526 0.202 -6.703 1.00 0.00 C ATOM 925 CG ASN A 65 11.022 0.444 -5.274 1.00 0.00 C ATOM 926 OD1 ASN A 65 9.885 0.275 -4.911 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.789 0.869 -4.337 1.00 0.00 N ATOM 0 H ASN A 65 10.406 1.122 -8.629 1.00 0.00 H new ATOM 0 HA ASN A 65 11.228 -1.604 -7.904 1.00 0.00 H new ATOM 0 HB2 ASN A 65 12.523 -0.234 -6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.631 1.169 -7.195 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.413 1.027 -3.402 1.00 0.00 H new ATOM 0 HD22 ASN A 65 12.775 1.048 -4.527 1.00 0.00 H new ATOM 934 N ALA A 66 8.405 -0.432 -6.726 1.00 0.00 N ATOM 935 CA ALA A 66 7.122 -0.857 -6.086 1.00 0.00 C ATOM 936 C ALA A 66 6.511 -2.034 -6.902 1.00 0.00 C ATOM 937 O ALA A 66 6.125 -3.049 -6.352 1.00 0.00 O ATOM 938 CB ALA A 66 6.218 0.363 -6.076 1.00 0.00 C ATOM 0 H ALA A 66 8.462 0.563 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 66 7.262 -1.215 -5.066 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.264 0.105 -5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.691 1.162 -5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.049 0.699 -7.099 1.00 0.00 H new ATOM 944 N ALA A 67 6.454 -1.840 -8.199 1.00 0.00 N ATOM 945 CA ALA A 67 5.909 -2.869 -9.154 1.00 0.00 C ATOM 946 C ALA A 67 6.738 -4.161 -9.017 1.00 0.00 C ATOM 947 O ALA A 67 6.331 -5.232 -9.423 1.00 0.00 O ATOM 948 CB ALA A 67 5.999 -2.313 -10.599 1.00 0.00 C ATOM 0 H ALA A 67 6.773 -0.984 -8.653 1.00 0.00 H new ATOM 0 HA ALA A 67 4.866 -3.091 -8.927 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.606 -3.051 -11.298 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.414 -1.396 -10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.040 -2.100 -10.843 1.00 0.00 H new ATOM 954 N SER A 68 7.897 -4.018 -8.439 1.00 0.00 N ATOM 955 CA SER A 68 8.792 -5.182 -8.236 1.00 0.00 C ATOM 956 C SER A 68 8.480 -5.788 -6.875 1.00 0.00 C ATOM 957 O SER A 68 8.831 -6.944 -6.694 1.00 0.00 O ATOM 958 CB SER A 68 10.283 -4.758 -8.268 1.00 0.00 C ATOM 959 OG SER A 68 10.990 -5.929 -7.853 1.00 0.00 O ATOM 0 H SER A 68 8.264 -3.131 -8.095 1.00 0.00 H new ATOM 0 HA SER A 68 8.626 -5.901 -9.038 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.586 -4.443 -9.266 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.473 -3.920 -7.598 1.00 0.00 H new ATOM 0 HG SER A 68 10.354 -6.659 -7.704 1.00 0.00 H new ATOM 965 N ILE A 69 7.846 -5.082 -5.953 1.00 0.00 N ATOM 966 CA ILE A 69 7.621 -5.820 -4.663 1.00 0.00 C ATOM 967 C ILE A 69 6.708 -7.046 -4.945 1.00 0.00 C ATOM 968 O ILE A 69 7.096 -8.139 -4.586 1.00 0.00 O ATOM 969 CB ILE A 69 6.970 -4.873 -3.568 1.00 0.00 C ATOM 970 CG1 ILE A 69 7.965 -3.871 -2.875 1.00 0.00 C ATOM 971 CG2 ILE A 69 6.334 -5.778 -2.469 1.00 0.00 C ATOM 972 CD1 ILE A 69 9.257 -4.569 -2.395 1.00 0.00 C ATOM 0 H ILE A 69 7.506 -4.123 -6.023 1.00 0.00 H new ATOM 0 HA ILE A 69 8.579 -6.158 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 69 6.241 -4.253 -4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.222 -3.075 -3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.471 -3.401 -2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.878 -5.153 -1.702 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.572 -6.415 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.107 -6.400 -2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.912 -3.837 -1.923 1.00 0.00 H new ATOM 0 HD12 ILE A 69 9.004 -5.347 -1.675 1.00 0.00 H new ATOM 0 HD13 ILE A 69 9.767 -5.016 -3.248 1.00 0.00 H new ATOM 984 N PRO A 70 5.555 -6.893 -5.576 1.00 0.00 N ATOM 985 CA PRO A 70 4.641 -8.032 -5.871 1.00 0.00 C ATOM 986 C PRO A 70 5.347 -9.303 -6.327 1.00 0.00 C ATOM 987 O PRO A 70 5.065 -10.385 -5.852 1.00 0.00 O ATOM 988 CB PRO A 70 3.693 -7.442 -6.908 1.00 0.00 C ATOM 989 CG PRO A 70 3.527 -6.018 -6.404 1.00 0.00 C ATOM 990 CD PRO A 70 4.979 -5.620 -6.106 1.00 0.00 C ATOM 0 HA PRO A 70 4.124 -8.393 -4.982 1.00 0.00 H new ATOM 0 HB2 PRO A 70 4.115 -7.473 -7.912 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.743 -7.976 -6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 70 3.071 -5.370 -7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 70 2.899 -5.970 -5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 70 5.499 -5.280 -7.001 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.038 -4.812 -5.377 1.00 0.00 H new ATOM 998 N SER A 71 6.264 -9.088 -7.229 1.00 0.00 N ATOM 999 CA SER A 71 7.061 -10.213 -7.813 1.00 0.00 C ATOM 1000 C SER A 71 8.142 -10.730 -6.860 1.00 0.00 C ATOM 1001 O SER A 71 8.318 -11.920 -6.714 1.00 0.00 O ATOM 1002 CB SER A 71 7.698 -9.705 -9.109 1.00 0.00 C ATOM 1003 OG SER A 71 6.607 -9.292 -9.931 1.00 0.00 O ATOM 0 H SER A 71 6.501 -8.166 -7.595 1.00 0.00 H new ATOM 0 HA SER A 71 6.395 -11.055 -8.000 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.378 -8.876 -8.914 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.281 -10.488 -9.594 1.00 0.00 H new ATOM 0 HG SER A 71 6.950 -8.951 -10.783 1.00 0.00 H new ATOM 1009 N LYS A 72 8.835 -9.816 -6.244 1.00 0.00 N ATOM 1010 CA LYS A 72 9.929 -10.131 -5.281 1.00 0.00 C ATOM 1011 C LYS A 72 9.395 -10.899 -4.041 1.00 0.00 C ATOM 1012 O LYS A 72 10.040 -11.778 -3.507 1.00 0.00 O ATOM 1013 CB LYS A 72 10.504 -8.756 -4.958 1.00 0.00 C ATOM 1014 CG LYS A 72 11.865 -8.758 -4.253 1.00 0.00 C ATOM 1015 CD LYS A 72 12.064 -7.329 -3.635 1.00 0.00 C ATOM 1016 CE LYS A 72 11.764 -6.160 -4.582 1.00 0.00 C ATOM 1017 NZ LYS A 72 12.728 -6.088 -5.717 1.00 0.00 N ATOM 0 H LYS A 72 8.680 -8.816 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 72 10.690 -10.803 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.597 -8.193 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.791 -8.221 -4.331 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.896 -9.522 -3.476 1.00 0.00 H new ATOM 0 HG3 LYS A 72 12.664 -8.988 -4.958 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.424 -7.238 -2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.094 -7.240 -3.289 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.752 -6.264 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.795 -5.225 -4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.137 -5.133 -5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.488 -6.783 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 12.233 -6.298 -6.607 1.00 0.00 H new ATOM 1031 N CYS A 73 8.213 -10.511 -3.646 1.00 0.00 N ATOM 1032 CA CYS A 73 7.501 -11.093 -2.467 1.00 0.00 C ATOM 1033 C CYS A 73 6.532 -12.299 -2.581 1.00 0.00 C ATOM 1034 O CYS A 73 6.519 -13.115 -1.680 1.00 0.00 O ATOM 1035 CB CYS A 73 6.800 -9.884 -1.847 1.00 0.00 C ATOM 1036 SG CYS A 73 7.918 -8.723 -1.022 1.00 0.00 S ATOM 0 H CYS A 73 7.685 -9.776 -4.117 1.00 0.00 H new ATOM 0 HA CYS A 73 8.271 -11.603 -1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.255 -9.354 -2.628 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.062 -10.236 -1.126 1.00 0.00 H new ATOM 1041 N ASN A 74 5.773 -12.364 -3.645 1.00 0.00 N ATOM 1042 CA ASN A 74 4.759 -13.446 -3.946 1.00 0.00 C ATOM 1043 C ASN A 74 3.365 -12.881 -3.596 1.00 0.00 C ATOM 1044 O ASN A 74 2.539 -13.486 -2.935 1.00 0.00 O ATOM 1045 CB ASN A 74 5.023 -14.769 -3.103 1.00 0.00 C ATOM 1046 CG ASN A 74 4.208 -15.900 -3.732 1.00 0.00 C ATOM 1047 OD1 ASN A 74 4.143 -16.035 -4.933 1.00 0.00 O ATOM 1048 ND2 ASN A 74 3.570 -16.750 -2.998 1.00 0.00 N ATOM 0 H ASN A 74 5.815 -11.656 -4.378 1.00 0.00 H new ATOM 0 HA ASN A 74 4.832 -13.721 -4.998 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.084 -15.017 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 74 4.732 -14.623 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 74 3.036 -17.501 -3.435 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.600 -16.670 -1.982 1.00 0.00 H new ATOM 1055 N VAL A 75 3.181 -11.674 -4.073 1.00 0.00 N ATOM 1056 CA VAL A 75 1.911 -10.887 -3.892 1.00 0.00 C ATOM 1057 C VAL A 75 1.698 -10.068 -5.188 1.00 0.00 C ATOM 1058 O VAL A 75 1.570 -8.865 -5.239 1.00 0.00 O ATOM 1059 CB VAL A 75 2.009 -9.975 -2.528 1.00 0.00 C ATOM 1060 CG1 VAL A 75 3.399 -9.370 -2.345 1.00 0.00 C ATOM 1061 CG2 VAL A 75 1.108 -8.733 -2.520 1.00 0.00 C ATOM 0 H VAL A 75 3.893 -11.176 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 75 1.040 -11.525 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 75 1.720 -10.688 -1.756 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.420 -8.775 -1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.137 -10.169 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.634 -8.733 -3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.240 -8.194 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.377 -8.083 -3.353 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.066 -9.038 -2.620 1.00 0.00 H new ATOM 1071 N ASN A 76 1.656 -10.824 -6.247 1.00 0.00 N ATOM 1072 CA ASN A 76 1.453 -10.336 -7.656 1.00 0.00 C ATOM 1073 C ASN A 76 -0.048 -10.017 -7.813 1.00 0.00 C ATOM 1074 O ASN A 76 -0.771 -10.667 -8.541 1.00 0.00 O ATOM 1075 CB ASN A 76 1.918 -11.472 -8.599 1.00 0.00 C ATOM 1076 CG ASN A 76 1.428 -12.802 -8.048 1.00 0.00 C ATOM 1077 OD1 ASN A 76 1.971 -13.332 -7.106 1.00 0.00 O ATOM 1078 ND2 ASN A 76 0.416 -13.405 -8.560 1.00 0.00 N ATOM 0 H ASN A 76 1.762 -11.837 -6.193 1.00 0.00 H new ATOM 0 HA ASN A 76 2.021 -9.437 -7.894 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.525 -11.313 -9.603 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.005 -11.475 -8.678 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.101 -14.294 -8.171 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.073 -12.995 -9.356 1.00 0.00 H new ATOM 1085 N VAL A 77 -0.452 -8.992 -7.109 1.00 0.00 N ATOM 1086 CA VAL A 77 -1.887 -8.538 -7.120 1.00 0.00 C ATOM 1087 C VAL A 77 -2.285 -7.344 -8.053 1.00 0.00 C ATOM 1088 O VAL A 77 -1.508 -6.441 -8.302 1.00 0.00 O ATOM 1089 CB VAL A 77 -2.233 -8.213 -5.632 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -1.257 -7.144 -5.072 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -3.672 -7.669 -5.468 1.00 0.00 C ATOM 0 H VAL A 77 0.160 -8.435 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.466 -9.349 -7.562 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.143 -9.151 -5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.511 -6.928 -4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.235 -7.521 -5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.338 -6.232 -5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.864 -7.458 -4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.783 -6.752 -6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.385 -8.412 -5.825 1.00 0.00 H new ATOM 1101 N PRO A 78 -3.511 -7.382 -8.544 1.00 0.00 N ATOM 1102 CA PRO A 78 -4.271 -6.198 -9.074 1.00 0.00 C ATOM 1103 C PRO A 78 -4.224 -4.835 -8.322 1.00 0.00 C ATOM 1104 O PRO A 78 -5.233 -4.342 -7.846 1.00 0.00 O ATOM 1105 CB PRO A 78 -5.694 -6.753 -9.211 1.00 0.00 C ATOM 1106 CG PRO A 78 -5.443 -8.206 -9.634 1.00 0.00 C ATOM 1107 CD PRO A 78 -4.336 -8.631 -8.668 1.00 0.00 C ATOM 0 HA PRO A 78 -3.789 -5.861 -9.991 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.245 -6.693 -8.273 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.273 -6.207 -9.956 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.336 -8.822 -9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.127 -8.279 -10.675 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.738 -8.948 -7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.753 -9.464 -9.061 1.00 0.00 H new ATOM 1115 N TYR A 79 -3.064 -4.244 -8.214 1.00 0.00 N ATOM 1116 CA TYR A 79 -2.986 -2.930 -7.502 1.00 0.00 C ATOM 1117 C TYR A 79 -2.100 -1.871 -8.206 1.00 0.00 C ATOM 1118 O TYR A 79 -0.997 -1.555 -7.808 1.00 0.00 O ATOM 1119 CB TYR A 79 -2.528 -3.282 -6.095 1.00 0.00 C ATOM 1120 CG TYR A 79 -2.770 -2.140 -5.183 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -4.070 -1.857 -4.931 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -1.760 -1.400 -4.628 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -4.375 -0.833 -4.132 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -2.057 -0.342 -3.797 1.00 0.00 C ATOM 1125 CZ TYR A 79 -3.390 -0.059 -3.558 1.00 0.00 C ATOM 1126 OH TYR A 79 -3.766 1.005 -2.793 1.00 0.00 O ATOM 0 H TYR A 79 -2.182 -4.603 -8.579 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.953 -2.428 -7.496 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.063 -4.162 -5.739 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.468 -3.535 -6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.853 -2.455 -5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -0.730 -1.646 -4.842 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.412 -0.607 -3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.273 0.248 -3.346 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.726 1.167 -2.908 1.00 0.00 H new ATOM 1136 N THR A 80 -2.674 -1.357 -9.257 1.00 0.00 N ATOM 1137 CA THR A 80 -2.093 -0.306 -10.175 1.00 0.00 C ATOM 1138 C THR A 80 -0.602 0.146 -10.120 1.00 0.00 C ATOM 1139 O THR A 80 0.035 0.154 -11.152 1.00 0.00 O ATOM 1140 CB THR A 80 -2.934 0.939 -10.034 1.00 0.00 C ATOM 1141 OG1 THR A 80 -4.259 0.561 -10.408 1.00 0.00 O ATOM 1142 CG2 THR A 80 -2.549 1.984 -11.076 1.00 0.00 C ATOM 0 H THR A 80 -3.608 -1.646 -9.548 1.00 0.00 H new ATOM 0 HA THR A 80 -2.112 -0.846 -11.122 1.00 0.00 H new ATOM 0 HB THR A 80 -2.819 1.332 -9.024 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.903 0.990 -9.807 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.171 2.870 -10.950 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.501 2.256 -10.949 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.699 1.574 -12.075 1.00 0.00 H new ATOM 1150 N ILE A 81 -0.064 0.515 -8.982 1.00 0.00 N ATOM 1151 CA ILE A 81 1.393 0.971 -8.857 1.00 0.00 C ATOM 1152 C ILE A 81 1.938 1.776 -10.090 1.00 0.00 C ATOM 1153 O ILE A 81 2.907 1.471 -10.760 1.00 0.00 O ATOM 1154 CB ILE A 81 2.110 -0.390 -8.534 1.00 0.00 C ATOM 1155 CG1 ILE A 81 1.782 -0.743 -7.050 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.662 -0.328 -8.734 1.00 0.00 C ATOM 1157 CD1 ILE A 81 2.842 -0.255 -6.053 1.00 0.00 C ATOM 0 H ILE A 81 -0.575 0.525 -8.099 1.00 0.00 H new ATOM 0 HA ILE A 81 1.565 1.726 -8.090 1.00 0.00 H new ATOM 0 HB ILE A 81 1.747 -1.150 -9.226 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.819 -0.306 -6.786 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.678 -1.824 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.099 -1.298 -8.495 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.885 -0.075 -9.770 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.084 0.432 -8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.547 -0.536 -5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.803 -0.712 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.930 0.830 -6.117 1.00 0.00 H new ATOM 1169 N SER A 82 1.216 2.843 -10.317 1.00 0.00 N ATOM 1170 CA SER A 82 1.489 3.818 -11.440 1.00 0.00 C ATOM 1171 C SER A 82 1.641 5.292 -10.944 1.00 0.00 C ATOM 1172 O SER A 82 0.938 5.657 -10.023 1.00 0.00 O ATOM 1173 CB SER A 82 0.328 3.748 -12.415 1.00 0.00 C ATOM 1174 OG SER A 82 0.158 2.370 -12.733 1.00 0.00 O ATOM 0 H SER A 82 0.409 3.097 -9.747 1.00 0.00 H new ATOM 0 HA SER A 82 2.434 3.537 -11.905 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.578 4.160 -11.971 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.537 4.331 -13.312 1.00 0.00 H new ATOM 0 HG SER A 82 -0.586 2.269 -13.363 1.00 0.00 H new ATOM 1180 N PRO A 83 2.506 6.088 -11.556 1.00 0.00 N ATOM 1181 CA PRO A 83 2.991 7.417 -11.013 1.00 0.00 C ATOM 1182 C PRO A 83 2.150 8.095 -9.894 1.00 0.00 C ATOM 1183 O PRO A 83 2.573 8.251 -8.760 1.00 0.00 O ATOM 1184 CB PRO A 83 3.131 8.209 -12.323 1.00 0.00 C ATOM 1185 CG PRO A 83 3.831 7.156 -13.234 1.00 0.00 C ATOM 1186 CD PRO A 83 3.112 5.813 -12.897 1.00 0.00 C ATOM 0 HA PRO A 83 3.907 7.329 -10.429 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.166 8.522 -12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.731 9.110 -12.198 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.725 7.410 -14.289 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.899 7.098 -13.026 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.354 5.563 -13.639 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.811 4.978 -12.861 1.00 0.00 H new ATOM 1194 N ASP A 84 0.968 8.469 -10.301 1.00 0.00 N ATOM 1195 CA ASP A 84 -0.004 9.132 -9.385 1.00 0.00 C ATOM 1196 C ASP A 84 -1.346 8.349 -9.507 1.00 0.00 C ATOM 1197 O ASP A 84 -2.377 8.903 -9.824 1.00 0.00 O ATOM 1198 CB ASP A 84 -0.144 10.643 -9.823 1.00 0.00 C ATOM 1199 CG ASP A 84 -0.705 11.460 -8.646 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -0.241 11.211 -7.544 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -1.572 12.298 -8.843 1.00 0.00 O ATOM 0 H ASP A 84 0.627 8.339 -11.254 1.00 0.00 H new ATOM 0 HA ASP A 84 0.316 9.122 -8.343 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.826 11.038 -10.126 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.805 10.724 -10.686 1.00 0.00 H new ATOM 1206 N ILE A 85 -1.254 7.068 -9.247 1.00 0.00 N ATOM 1207 CA ILE A 85 -2.384 6.073 -9.290 1.00 0.00 C ATOM 1208 C ILE A 85 -3.815 6.646 -9.337 1.00 0.00 C ATOM 1209 O ILE A 85 -4.198 7.501 -8.569 1.00 0.00 O ATOM 1210 CB ILE A 85 -2.199 5.136 -8.044 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.152 3.945 -8.144 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -2.537 5.886 -6.737 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -2.785 2.916 -7.058 1.00 0.00 C ATOM 0 H ILE A 85 -0.368 6.637 -8.985 1.00 0.00 H new ATOM 0 HA ILE A 85 -2.312 5.549 -10.243 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.160 4.808 -8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.183 4.276 -8.016 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.084 3.490 -9.132 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -2.401 5.216 -5.888 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.876 6.746 -6.630 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.572 6.226 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.460 2.063 -7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.759 2.579 -7.208 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.875 3.377 -6.074 1.00 0.00 H new ATOM 1225 N ASP A 86 -4.575 6.128 -10.256 1.00 0.00 N ATOM 1226 CA ASP A 86 -5.986 6.571 -10.448 1.00 0.00 C ATOM 1227 C ASP A 86 -6.802 6.444 -9.174 1.00 0.00 C ATOM 1228 O ASP A 86 -7.229 7.423 -8.606 1.00 0.00 O ATOM 1229 CB ASP A 86 -6.635 5.715 -11.548 1.00 0.00 C ATOM 1230 CG ASP A 86 -5.662 5.495 -12.661 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -4.802 4.647 -12.495 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -5.791 6.172 -13.652 1.00 0.00 O ATOM 0 H ASP A 86 -4.272 5.397 -10.900 1.00 0.00 H new ATOM 0 HA ASP A 86 -5.971 7.623 -10.731 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.952 4.757 -11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.529 6.211 -11.927 1.00 0.00 H new ATOM 1237 N CYS A 87 -6.947 5.189 -8.832 1.00 0.00 N ATOM 1238 CA CYS A 87 -7.692 4.660 -7.641 1.00 0.00 C ATOM 1239 C CYS A 87 -9.082 4.209 -8.095 1.00 0.00 C ATOM 1240 O CYS A 87 -9.895 3.820 -7.286 1.00 0.00 O ATOM 1241 CB CYS A 87 -7.833 5.751 -6.520 1.00 0.00 C ATOM 1242 SG CYS A 87 -6.269 6.366 -5.860 1.00 0.00 S ATOM 0 H CYS A 87 -6.537 4.439 -9.388 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.134 3.823 -7.222 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.398 6.593 -6.921 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -8.419 5.336 -5.700 1.00 0.00 H new ATOM 1247 N SER A 88 -9.318 4.260 -9.379 1.00 0.00 N ATOM 1248 CA SER A 88 -10.648 3.834 -9.939 1.00 0.00 C ATOM 1249 C SER A 88 -10.527 2.382 -10.400 1.00 0.00 C ATOM 1250 O SER A 88 -11.526 1.780 -10.730 1.00 0.00 O ATOM 1251 CB SER A 88 -11.037 4.737 -11.149 1.00 0.00 C ATOM 1252 OG SER A 88 -12.255 4.220 -11.693 1.00 0.00 O ATOM 0 H SER A 88 -8.645 4.580 -10.075 1.00 0.00 H new ATOM 0 HA SER A 88 -11.420 3.929 -9.176 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.167 5.771 -10.830 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.248 4.732 -11.901 1.00 0.00 H new ATOM 0 HG SER A 88 -12.339 3.271 -11.464 1.00 0.00 H new ATOM 1258 N ARG A 89 -9.318 1.875 -10.416 1.00 0.00 N ATOM 1259 CA ARG A 89 -9.058 0.464 -10.846 1.00 0.00 C ATOM 1260 C ARG A 89 -8.294 -0.438 -9.816 1.00 0.00 C ATOM 1261 O ARG A 89 -7.278 -1.015 -10.144 1.00 0.00 O ATOM 1262 CB ARG A 89 -8.294 0.556 -12.243 1.00 0.00 C ATOM 1263 CG ARG A 89 -7.070 1.562 -12.288 1.00 0.00 C ATOM 1264 CD ARG A 89 -6.288 1.313 -13.625 1.00 0.00 C ATOM 1265 NE ARG A 89 -5.331 2.453 -13.922 1.00 0.00 N ATOM 1266 CZ ARG A 89 -5.078 2.891 -15.112 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -5.034 2.090 -16.104 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -4.871 4.136 -15.263 1.00 0.00 N ATOM 0 H ARG A 89 -8.482 2.392 -10.143 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.016 -0.049 -10.928 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.934 -0.439 -12.506 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.011 0.849 -13.010 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.422 2.593 -12.238 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.417 1.406 -11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.733 0.377 -13.556 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -6.995 1.204 -14.448 1.00 0.00 H new ATOM 0 HE ARG A 89 -4.859 2.900 -13.136 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.199 1.093 -15.963 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.834 2.446 -17.039 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.907 4.760 -14.457 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.669 4.511 -16.190 1.00 0.00 H new ATOM 1282 N ILE A 90 -8.781 -0.541 -8.604 1.00 0.00 N ATOM 1283 CA ILE A 90 -8.096 -1.400 -7.578 1.00 0.00 C ATOM 1284 C ILE A 90 -9.057 -2.440 -7.033 1.00 0.00 C ATOM 1285 O ILE A 90 -10.236 -2.161 -6.962 1.00 0.00 O ATOM 1286 CB ILE A 90 -7.609 -0.479 -6.489 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -6.151 -0.129 -6.837 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -7.728 -1.155 -5.084 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -5.642 0.956 -5.919 1.00 0.00 C ATOM 0 H ILE A 90 -9.624 -0.069 -8.277 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.258 -1.944 -8.015 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.216 0.425 -6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.525 -1.016 -6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.086 0.202 -7.874 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.369 -0.467 -4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.771 -1.405 -4.888 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.127 -2.064 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.610 1.195 -6.175 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.259 1.847 -6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.689 0.610 -4.886 1.00 0.00 H new ATOM 1301 N TYR A 91 -8.502 -3.572 -6.670 1.00 0.00 N ATOM 1302 CA TYR A 91 -9.327 -4.690 -6.107 1.00 0.00 C ATOM 1303 C TYR A 91 -8.464 -5.717 -5.363 1.00 0.00 C ATOM 1304 O TYR A 91 -8.984 -6.474 -4.556 1.00 0.00 O ATOM 1305 CB TYR A 91 -10.127 -5.398 -7.252 1.00 0.00 C ATOM 1306 CG TYR A 91 -11.311 -4.500 -7.638 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -12.217 -4.118 -6.663 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -11.483 -4.045 -8.931 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -13.273 -3.294 -6.977 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -12.548 -3.217 -9.238 1.00 0.00 C ATOM 1311 CZ TYR A 91 -13.434 -2.847 -8.257 1.00 0.00 C ATOM 1312 OH TYR A 91 -14.483 -2.013 -8.550 1.00 0.00 O ATOM 1313 OXT TYR A 91 -7.279 -5.716 -5.629 1.00 0.00 O ATOM 0 H TYR A 91 -7.504 -3.771 -6.740 1.00 0.00 H new ATOM 0 HA TYR A 91 -10.023 -4.256 -5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.484 -5.570 -8.115 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.482 -6.373 -6.920 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.094 -4.469 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.786 -4.336 -9.703 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.975 -3.001 -6.211 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.682 -2.862 -10.249 1.00 0.00 H new ATOM 0 HH TYR A 91 -14.461 -1.782 -9.502 1.00 0.00 H new TER 1323 TYR A 91 HETATM 1324 N1A COA A 92 1.503 9.738 7.952 1.00 0.00 N HETATM 1325 C2A COA A 92 2.132 10.919 7.877 1.00 0.00 C HETATM 1326 N3A COA A 92 3.454 11.128 7.899 1.00 0.00 N HETATM 1327 C4A COA A 92 4.179 9.978 8.010 1.00 0.00 C HETATM 1328 C5A COA A 92 3.668 8.711 8.096 1.00 0.00 C HETATM 1329 C6A COA A 92 2.261 8.625 8.061 1.00 0.00 C HETATM 1330 N6A COA A 92 1.657 7.453 8.133 1.00 0.00 N HETATM 1331 N7A COA A 92 4.679 7.761 8.196 1.00 0.00 N HETATM 1332 C8A COA A 92 5.758 8.480 8.168 1.00 0.00 C HETATM 1333 N9A COA A 92 5.550 9.824 8.058 1.00 0.00 N HETATM 1334 C1B COA A 92 6.600 10.860 8.029 1.00 0.00 C HETATM 1335 C2B COA A 92 7.839 10.346 7.295 1.00 0.00 C HETATM 1336 O2B COA A 92 8.729 9.625 8.182 1.00 0.00 O HETATM 1337 C3B COA A 92 8.496 11.616 6.817 1.00 0.00 C HETATM 1338 O3B COA A 92 9.264 12.273 7.904 1.00 0.00 O HETATM 1339 P3B COA A 92 8.962 12.620 9.474 1.00 0.00 P HETATM 1340 O7A COA A 92 7.661 13.316 9.417 1.00 0.00 O HETATM 1341 O8A COA A 92 8.943 11.291 10.141 1.00 0.00 O HETATM 1342 O9A COA A 92 10.112 13.466 9.861 1.00 0.00 O HETATM 1343 C4B COA A 92 7.241 12.435 6.400 1.00 0.00 C HETATM 1344 O4B COA A 92 6.171 11.991 7.266 1.00 0.00 O HETATM 1345 C5B COA A 92 6.859 12.155 4.905 1.00 0.00 C HETATM 1346 O5B COA A 92 5.642 12.787 4.419 1.00 0.00 O HETATM 1347 P1A COA A 92 4.493 11.905 3.685 1.00 0.00 P HETATM 1348 O1A COA A 92 5.019 11.542 2.345 1.00 0.00 O HETATM 1349 O2A COA A 92 4.165 10.863 4.676 1.00 0.00 O HETATM 1350 O3A COA A 92 3.335 12.959 3.560 1.00 0.00 O HETATM 1351 P2A COA A 92 2.208 12.561 2.550 1.00 0.00 P HETATM 1352 O4A COA A 92 1.005 13.355 2.905 1.00 0.00 O HETATM 1353 O5A COA A 92 2.711 12.586 1.157 1.00 0.00 O HETATM 1354 O6A COA A 92 1.850 11.047 2.942 1.00 0.00 O HETATM 1355 CBP COA A 92 0.696 9.177 4.242 1.00 0.00 C HETATM 1356 CCP COA A 92 0.983 10.707 4.058 1.00 0.00 C HETATM 1357 CDP COA A 92 2.042 8.467 4.732 1.00 0.00 C HETATM 1358 CEP COA A 92 0.261 8.606 2.872 1.00 0.00 C HETATM 1359 CAP COA A 92 -0.470 9.028 5.332 1.00 0.00 C HETATM 1360 OAP COA A 92 -1.625 9.710 4.822 1.00 0.00 O HETATM 1361 C9P COA A 92 -0.727 7.539 5.734 1.00 0.00 C HETATM 1362 O9P COA A 92 -1.530 7.195 6.586 1.00 0.00 O HETATM 1363 N8P COA A 92 -0.011 6.701 5.045 1.00 0.00 N HETATM 1364 C7P COA A 92 -0.038 5.257 5.223 1.00 0.00 C HETATM 1365 C6P COA A 92 1.432 4.759 5.099 1.00 0.00 C HETATM 1366 C5P COA A 92 1.878 4.956 3.683 1.00 0.00 C HETATM 1367 O5P COA A 92 1.980 6.071 3.233 1.00 0.00 O HETATM 1368 N4P COA A 92 2.133 3.886 2.990 1.00 0.00 N HETATM 1369 C3P COA A 92 2.584 4.005 1.580 1.00 0.00 C HETATM 1370 C2P COA A 92 1.338 4.002 0.762 1.00 0.00 C HETATM 1371 S1P COA A 92 1.519 3.506 -0.969 1.00 0.00 S HETATM 0 HO2A COA A 92 8.709 10.037 9.071 1.00 0.00 H new HETATM 0 H62A COA A 92 2.209 6.599 8.216 1.00 0.00 H new HETATM 0 H61A COA A 92 0.639 7.402 8.106 1.00 0.00 H new HETATM 0 H52A COA A 92 7.687 12.478 4.274 1.00 0.00 H new HETATM 0 H51A COA A 92 6.760 11.077 4.774 1.00 0.00 H new HETATM 0 H143 COA A 92 -0.638 9.120 2.533 1.00 0.00 H new HETATM 0 H142 COA A 92 1.060 8.755 2.146 1.00 0.00 H new HETATM 0 H141 COA A 92 0.054 7.540 2.971 1.00 0.00 H new HETATM 0 H133 COA A 92 2.823 8.613 3.986 1.00 0.00 H new HETATM 0 H132 COA A 92 2.360 8.903 5.679 1.00 0.00 H new HETATM 0 H131 COA A 92 1.863 7.400 4.866 1.00 0.00 H new HETATM 0 H122 COA A 92 1.432 11.088 4.975 1.00 0.00 H new HETATM 0 H121 COA A 92 0.033 11.225 3.929 1.00 0.00 H new HETATM 0 HO1 COA A 92 -2.255 9.056 4.454 1.00 0.00 H new HETATM 0 HN8 COA A 92 0.611 7.081 4.332 1.00 0.00 H new HETATM 0 HN4 COA A 92 2.023 2.965 3.415 1.00 0.00 H new HETATM 0 H8A COA A 92 6.755 8.044 8.228 1.00 0.00 H new HETATM 0 H72 COA A 92 -0.454 4.996 6.196 1.00 0.00 H new HETATM 0 H71 COA A 92 -0.670 4.787 4.470 1.00 0.00 H new HETATM 0 H62 COA A 92 2.079 5.311 5.781 1.00 0.00 H new HETATM 0 H61 COA A 92 1.501 3.707 5.376 1.00 0.00 H new HETATM 0 H4B COA A 92 7.428 13.505 6.491 1.00 0.00 H new HETATM 0 H3B COA A 92 9.232 11.487 6.024 1.00 0.00 H new HETATM 0 H32 COA A 92 3.152 4.922 1.426 1.00 0.00 H new HETATM 0 H31 COA A 92 3.236 3.176 1.305 1.00 0.00 H new HETATM 0 H2B COA A 92 7.592 9.645 6.497 1.00 0.00 H new HETATM 0 H2A COA A 92 1.500 11.803 7.789 1.00 0.00 H new HETATM 0 H22 COA A 92 0.619 3.334 1.236 1.00 0.00 H new HETATM 0 H21 COA A 92 0.909 5.004 0.788 1.00 0.00 H new HETATM 0 H1B COA A 92 6.810 11.118 9.067 1.00 0.00 H new HETATM 0 H10 COA A 92 -0.177 9.493 6.274 1.00 0.00 H new HETATM 1403 C1 PLM A 96 1.066 1.753 -0.816 1.00 0.00 C HETATM 1404 O1 PLM A 96 0.190 1.161 -1.406 1.00 0.00 O HETATM 1405 C2 PLM A 96 1.918 0.959 0.153 1.00 0.00 C HETATM 1406 C3 PLM A 96 3.111 0.380 -0.609 1.00 0.00 C HETATM 1407 C4 PLM A 96 3.715 1.496 -1.481 1.00 0.00 C HETATM 1408 C5 PLM A 96 5.174 1.213 -1.888 1.00 0.00 C HETATM 1409 C6 PLM A 96 5.264 0.163 -2.996 1.00 0.00 C HETATM 1410 C7 PLM A 96 5.173 -1.261 -2.430 1.00 0.00 C HETATM 1411 C8 PLM A 96 4.467 -2.137 -3.463 1.00 0.00 C HETATM 1412 C9 PLM A 96 3.785 -3.293 -2.727 1.00 0.00 C HETATM 1413 CA PLM A 96 2.712 -3.941 -3.606 1.00 0.00 C HETATM 1414 CB PLM A 96 1.638 -2.939 -4.126 1.00 0.00 C HETATM 1415 CC PLM A 96 1.198 -1.857 -3.073 1.00 0.00 C HETATM 1416 CD PLM A 96 0.623 -2.424 -1.746 1.00 0.00 C HETATM 1417 CE PLM A 96 -0.207 -3.700 -1.948 1.00 0.00 C HETATM 1418 CF PLM A 96 -1.112 -3.931 -0.750 1.00 0.00 C HETATM 1419 CG PLM A 96 -1.945 -5.174 -1.011 1.00 0.00 C HETATM 0 HG3 PLM A 96 -2.545 -5.028 -1.909 1.00 0.00 H new HETATM 0 HG2 PLM A 96 -1.286 -6.031 -1.151 1.00 0.00 H new HETATM 0 HG1 PLM A 96 -2.602 -5.357 -0.161 1.00 0.00 H new HETATM 0 HF2 PLM A 96 -0.518 -4.056 0.155 1.00 0.00 H new HETATM 0 HF1 PLM A 96 -1.758 -3.068 -0.591 1.00 0.00 H new HETATM 0 HE2 PLM A 96 -0.806 -3.613 -2.854 1.00 0.00 H new HETATM 0 HE1 PLM A 96 0.455 -4.556 -2.084 1.00 0.00 H new HETATM 0 HD2 PLM A 96 1.445 -2.636 -1.062 1.00 0.00 H new HETATM 0 HD1 PLM A 96 0.002 -1.664 -1.272 1.00 0.00 H new HETATM 0 HC2 PLM A 96 2.058 -1.229 -2.839 1.00 0.00 H new HETATM 0 HC1 PLM A 96 0.447 -1.212 -3.530 1.00 0.00 H new HETATM 0 HB2 PLM A 96 2.028 -2.432 -5.009 1.00 0.00 H new HETATM 0 HB1 PLM A 96 0.758 -3.499 -4.443 1.00 0.00 H new HETATM 0 HA2 PLM A 96 3.194 -4.418 -4.459 1.00 0.00 H new HETATM 0 HA1 PLM A 96 2.217 -4.728 -3.038 1.00 0.00 H new HETATM 0 H92 PLM A 96 4.528 -4.038 -2.444 1.00 0.00 H new HETATM 0 H91 PLM A 96 3.334 -2.927 -1.805 1.00 0.00 H new HETATM 0 H82 PLM A 96 3.732 -1.553 -4.017 1.00 0.00 H new HETATM 0 H81 PLM A 96 5.184 -2.520 -4.190 1.00 0.00 H new HETATM 0 H72 PLM A 96 6.169 -1.650 -2.217 1.00 0.00 H new HETATM 0 H71 PLM A 96 4.622 -1.262 -1.489 1.00 0.00 H new HETATM 0 H62 PLM A 96 4.461 0.322 -3.715 1.00 0.00 H new HETATM 0 H61 PLM A 96 6.203 0.282 -3.536 1.00 0.00 H new HETATM 0 H52 PLM A 96 5.643 2.138 -2.225 1.00 0.00 H new HETATM 0 H51 PLM A 96 5.734 0.871 -1.018 1.00 0.00 H new HETATM 0 H42 PLM A 96 3.109 1.617 -2.379 1.00 0.00 H new HETATM 0 H41 PLM A 96 3.671 2.440 -0.937 1.00 0.00 H new HETATM 0 H32 PLM A 96 3.857 -0.003 0.088 1.00 0.00 H new HETATM 0 H31 PLM A 96 2.794 -0.458 -1.230 1.00 0.00 H new HETATM 0 H22 PLM A 96 2.262 1.598 0.966 1.00 0.00 H new HETATM 0 H21 PLM A 96 1.332 0.158 0.604 1.00 0.00 H new