USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 787 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 52 SER OG : rot 30:sc= -1.45 USER MOD Set 1.2: A 64 MET CE :methyl 167:sc= -6.03! (180deg=-6.73!) USER MOD Set 2.1: A 59 LYS NZ :NH3+ 140:sc= -0.0643 (180deg=-1) USER MOD Set 2.2: A 61 ASN : amide:sc= -1.39! C(o=-1.5!,f=-3.7!) USER MOD Set 3.1: A 32 MET CE :methyl -142:sc= -2.01 (180deg=-5.6!) USER MOD Set 3.2: A 84 SER OG : rot -92:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -48:sc= 0.56! USER MOD Single : A 13 ASN : amide:sc= 0.0537 X(o=0.054,f=0) USER MOD Single : A 14 MET CE :methyl 149:sc= -0.666 (180deg=-2.31!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 35:sc= 0.0871 USER MOD Single : A 21 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0254) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0741 K(o=-0.074,f=-1.8!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.503 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -2.2! C(o=-2.2!,f=-4.6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -150:sc= -0.611 USER MOD Single : A 53 THR OG1 : rot -101:sc= 0.0798 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -147:sc= -0.118 (180deg=-0.717) USER MOD Single : A 60 MET CE :methyl -149:sc= -5.54! (180deg=-6.98) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.943 K(o=-0.94,f=-7.2!) USER MOD Single : A 76 SER OG : rot 133:sc= 1.25 USER MOD Single : A 81 GLN : amide:sc= -2.6 K(o=-2.6,f=-8.2!) USER MOD Single : A 86 SER OG : rot 159:sc= -0.0341 USER MOD Single : A 87 THR OG1 : rot -56:sc= 0.238 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 97 HIS : no HE2:sc= -2.36 K(o=-2.4,f=-5.3!) USER MOD Single : A 100 SER OG : rot 137:sc= 1.19! USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 1.743 13.487 -7.453 1.00 0.00 N ATOM 79 CA LYS A 9 0.876 12.322 -7.426 1.00 0.00 C ATOM 80 C LYS A 9 1.706 11.067 -7.700 1.00 0.00 C ATOM 81 O LYS A 9 1.742 10.576 -8.827 1.00 0.00 O ATOM 82 CB LYS A 9 -0.299 12.505 -8.389 1.00 0.00 C ATOM 83 CG LYS A 9 -0.957 13.872 -8.198 1.00 0.00 C ATOM 84 CD LYS A 9 -2.456 13.807 -8.500 1.00 0.00 C ATOM 85 CE LYS A 9 -2.787 14.552 -9.794 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.209 14.965 -9.805 1.00 0.00 N ATOM 0 HA LYS A 9 0.432 12.201 -6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.050 12.406 -9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.034 11.717 -8.225 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.803 14.214 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.482 14.603 -8.853 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.769 12.766 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.017 14.242 -7.672 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.147 15.429 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.581 13.912 -10.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.417 15.469 -10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.816 14.123 -9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.394 15.593 -8.997 1.00 0.00 H new ATOM 100 N PRO A 10 2.371 10.570 -6.622 1.00 0.00 N ATOM 101 CA PRO A 10 3.199 9.382 -6.735 1.00 0.00 C ATOM 102 C PRO A 10 2.338 8.121 -6.828 1.00 0.00 C ATOM 103 O PRO A 10 2.819 7.064 -7.236 1.00 0.00 O ATOM 104 CB PRO A 10 4.089 9.403 -5.503 1.00 0.00 C ATOM 105 CG PRO A 10 3.413 10.342 -4.517 1.00 0.00 C ATOM 106 CD PRO A 10 2.351 11.126 -5.272 1.00 0.00 C ATOM 0 HA PRO A 10 3.800 9.374 -7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.195 8.404 -5.081 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.091 9.752 -5.751 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.962 9.778 -3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.143 11.019 -4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.370 11.010 -4.810 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.576 12.192 -5.279 1.00 0.00 H new ATOM 114 N LEU A 11 1.079 8.272 -6.444 1.00 0.00 N ATOM 115 CA LEU A 11 0.146 7.159 -6.480 1.00 0.00 C ATOM 116 C LEU A 11 -0.802 7.331 -7.668 1.00 0.00 C ATOM 117 O LEU A 11 -1.434 6.370 -8.107 1.00 0.00 O ATOM 118 CB LEU A 11 -0.572 7.018 -5.136 1.00 0.00 C ATOM 119 CG LEU A 11 0.326 6.975 -3.897 1.00 0.00 C ATOM 120 CD1 LEU A 11 -0.508 6.861 -2.620 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.360 5.854 -4.008 1.00 0.00 C ATOM 0 H LEU A 11 0.683 9.149 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 11 0.679 6.220 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.266 7.851 -5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.169 6.106 -5.159 1.00 0.00 H new ATOM 0 HG LEU A 11 0.875 7.915 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.154 6.832 -1.754 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.172 7.722 -2.541 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.101 5.947 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.985 5.846 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.849 4.896 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.984 6.020 -4.886 1.00 0.00 H new ATOM 133 N SER A 12 -0.871 8.561 -8.156 1.00 0.00 N ATOM 134 CA SER A 12 -1.732 8.870 -9.285 1.00 0.00 C ATOM 135 C SER A 12 -1.779 7.683 -10.248 1.00 0.00 C ATOM 136 O SER A 12 -0.818 7.428 -10.973 1.00 0.00 O ATOM 137 CB SER A 12 -1.252 10.127 -10.014 1.00 0.00 C ATOM 138 OG SER A 12 -1.109 9.909 -11.415 1.00 0.00 O ATOM 0 H SER A 12 -0.345 9.355 -7.790 1.00 0.00 H new ATOM 0 HA SER A 12 -2.736 9.062 -8.907 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.960 10.938 -9.844 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.297 10.445 -9.597 1.00 0.00 H new ATOM 0 HG SER A 12 -0.606 9.082 -11.568 1.00 0.00 H new ATOM 144 N ASN A 13 -2.906 6.988 -10.226 1.00 0.00 N ATOM 145 CA ASN A 13 -3.091 5.833 -11.088 1.00 0.00 C ATOM 146 C ASN A 13 -2.470 4.602 -10.425 1.00 0.00 C ATOM 147 O ASN A 13 -1.639 3.922 -11.025 1.00 0.00 O ATOM 148 CB ASN A 13 -2.403 6.039 -12.439 1.00 0.00 C ATOM 149 CG ASN A 13 -3.056 5.180 -13.524 1.00 0.00 C ATOM 150 OD1 ASN A 13 -4.055 5.543 -14.123 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.438 4.022 -13.742 1.00 0.00 N ATOM 0 H ASN A 13 -3.701 7.202 -9.624 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.161 5.697 -11.244 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.456 7.090 -12.722 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.346 5.784 -12.356 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.797 3.377 -14.446 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.605 3.779 -13.205 1.00 0.00 H new ATOM 158 N MET A 14 -2.897 4.353 -9.196 1.00 0.00 N ATOM 159 CA MET A 14 -2.394 3.215 -8.445 1.00 0.00 C ATOM 160 C MET A 14 -3.356 2.833 -7.318 1.00 0.00 C ATOM 161 O MET A 14 -3.715 3.671 -6.493 1.00 0.00 O ATOM 162 CB MET A 14 -1.025 3.559 -7.854 1.00 0.00 C ATOM 163 CG MET A 14 -0.012 3.864 -8.958 1.00 0.00 C ATOM 164 SD MET A 14 1.622 4.029 -8.259 1.00 0.00 S ATOM 165 CE MET A 14 1.713 2.514 -7.321 1.00 0.00 C ATOM 0 H MET A 14 -3.586 4.920 -8.701 1.00 0.00 H new ATOM 0 HA MET A 14 -2.304 2.366 -9.123 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.117 4.420 -7.192 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.667 2.727 -7.247 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.020 3.066 -9.701 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.290 4.783 -9.474 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.747 2.172 -7.282 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.350 2.691 -6.308 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.097 1.752 -7.799 1.00 0.00 H new ATOM 175 N LYS A 15 -3.745 1.567 -7.320 1.00 0.00 N ATOM 176 CA LYS A 15 -4.659 1.063 -6.308 1.00 0.00 C ATOM 177 C LYS A 15 -3.856 0.569 -5.103 1.00 0.00 C ATOM 178 O LYS A 15 -3.162 -0.443 -5.188 1.00 0.00 O ATOM 179 CB LYS A 15 -5.588 0.004 -6.904 1.00 0.00 C ATOM 180 CG LYS A 15 -6.743 0.655 -7.667 1.00 0.00 C ATOM 181 CD LYS A 15 -7.592 -0.399 -8.381 1.00 0.00 C ATOM 182 CE LYS A 15 -6.832 -1.005 -9.563 1.00 0.00 C ATOM 183 NZ LYS A 15 -7.779 -1.520 -10.578 1.00 0.00 N ATOM 0 H LYS A 15 -3.444 0.875 -8.006 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.311 1.861 -5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.024 -0.644 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.983 -0.628 -6.108 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.366 1.222 -6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.349 1.364 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.868 -1.186 -7.679 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.519 0.053 -8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.184 -0.252 -10.011 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.189 -1.813 -9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.247 -1.928 -11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.380 -2.253 -10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.375 -0.741 -10.923 1.00 0.00 H new ATOM 197 N ILE A 16 -3.977 1.306 -4.009 1.00 0.00 N ATOM 198 CA ILE A 16 -3.271 0.955 -2.788 1.00 0.00 C ATOM 199 C ILE A 16 -4.202 0.150 -1.879 1.00 0.00 C ATOM 200 O ILE A 16 -5.381 0.475 -1.749 1.00 0.00 O ATOM 201 CB ILE A 16 -2.694 2.207 -2.124 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.671 2.889 -3.035 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.108 1.878 -0.750 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.338 3.424 -4.304 1.00 0.00 C ATOM 0 H ILE A 16 -4.553 2.145 -3.942 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.415 0.318 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.507 2.915 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.191 3.708 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.887 2.180 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.705 2.785 -0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.890 1.471 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.311 1.143 -0.861 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.589 3.904 -4.934 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.797 2.599 -4.849 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.104 4.151 -4.034 1.00 0.00 H new ATOM 216 N LEU A 17 -3.637 -0.884 -1.274 1.00 0.00 N ATOM 217 CA LEU A 17 -4.401 -1.737 -0.380 1.00 0.00 C ATOM 218 C LEU A 17 -3.844 -1.612 1.039 1.00 0.00 C ATOM 219 O LEU A 17 -2.700 -1.201 1.227 1.00 0.00 O ATOM 220 CB LEU A 17 -4.429 -3.174 -0.906 1.00 0.00 C ATOM 221 CG LEU A 17 -5.506 -4.085 -0.312 1.00 0.00 C ATOM 222 CD1 LEU A 17 -5.108 -4.567 1.084 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.870 -3.392 -0.312 1.00 0.00 C ATOM 0 H LEU A 17 -2.659 -1.151 -1.385 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.442 -1.415 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.564 -3.142 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.455 -3.627 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.593 -4.969 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.891 -5.212 1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.173 -5.125 1.024 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.976 -3.708 1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.618 -4.060 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.815 -2.481 0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.150 -3.140 -1.335 1.00 0.00 H new ATOM 235 N THR A 18 -4.679 -1.975 2.002 1.00 0.00 N ATOM 236 CA THR A 18 -4.284 -1.908 3.399 1.00 0.00 C ATOM 237 C THR A 18 -4.646 -3.209 4.118 1.00 0.00 C ATOM 238 O THR A 18 -5.793 -3.651 4.070 1.00 0.00 O ATOM 239 CB THR A 18 -4.938 -0.670 4.016 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.286 -0.724 3.558 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.396 0.634 3.428 1.00 0.00 C ATOM 0 H THR A 18 -5.627 -2.316 1.842 1.00 0.00 H new ATOM 0 HA THR A 18 -3.203 -1.807 3.501 1.00 0.00 H new ATOM 0 HB THR A 18 -4.778 -0.675 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.574 -1.659 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.894 1.481 3.901 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.323 0.696 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.585 0.655 2.355 1.00 0.00 H new ATOM 249 N LEU A 19 -3.646 -3.786 4.768 1.00 0.00 N ATOM 250 CA LEU A 19 -3.845 -5.028 5.496 1.00 0.00 C ATOM 251 C LEU A 19 -3.680 -4.767 6.995 1.00 0.00 C ATOM 252 O LEU A 19 -2.604 -4.377 7.446 1.00 0.00 O ATOM 253 CB LEU A 19 -2.919 -6.119 4.957 1.00 0.00 C ATOM 254 CG LEU A 19 -3.595 -7.426 4.538 1.00 0.00 C ATOM 255 CD1 LEU A 19 -2.905 -8.034 3.315 1.00 0.00 C ATOM 256 CD2 LEU A 19 -3.657 -8.410 5.708 1.00 0.00 C ATOM 0 H LEU A 19 -2.696 -3.417 4.806 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.859 -5.400 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.381 -5.719 4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.175 -6.346 5.721 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.622 -7.202 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.406 -8.962 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.956 -7.332 2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.861 -8.241 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.142 -9.331 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.646 -8.633 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.227 -7.968 6.525 1.00 0.00 H new ATOM 268 N GLY A 20 -4.762 -4.993 7.725 1.00 0.00 N ATOM 269 CA GLY A 20 -4.751 -4.787 9.163 1.00 0.00 C ATOM 270 C GLY A 20 -5.259 -3.389 9.521 1.00 0.00 C ATOM 271 O GLY A 20 -6.434 -3.083 9.327 1.00 0.00 O ATOM 0 H GLY A 20 -5.652 -5.317 7.347 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.375 -5.539 9.646 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.739 -4.919 9.545 1.00 0.00 H new ATOM 275 N LYS A 21 -4.348 -2.578 10.038 1.00 0.00 N ATOM 276 CA LYS A 21 -4.689 -1.219 10.425 1.00 0.00 C ATOM 277 C LYS A 21 -3.428 -0.500 10.909 1.00 0.00 C ATOM 278 O LYS A 21 -2.611 -1.083 11.620 1.00 0.00 O ATOM 279 CB LYS A 21 -5.826 -1.223 11.448 1.00 0.00 C ATOM 280 CG LYS A 21 -6.690 0.033 11.313 1.00 0.00 C ATOM 281 CD LYS A 21 -7.763 -0.154 10.238 1.00 0.00 C ATOM 282 CE LYS A 21 -9.125 0.338 10.733 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.686 -0.604 11.727 1.00 0.00 N ATOM 0 H LYS A 21 -3.374 -2.835 10.198 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.065 -0.661 9.567 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.443 -2.110 11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.413 -1.278 12.455 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.163 0.258 12.269 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.061 0.886 11.060 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.480 0.392 9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.830 -1.207 9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.021 1.327 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.810 0.438 9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.669 -0.340 11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.662 -1.570 11.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.122 -0.565 12.600 1.00 0.00 H new ATOM 297 N LEU A 22 -3.310 0.756 10.505 1.00 0.00 N ATOM 298 CA LEU A 22 -2.163 1.561 10.889 1.00 0.00 C ATOM 299 C LEU A 22 -2.551 2.469 12.059 1.00 0.00 C ATOM 300 O LEU A 22 -3.638 2.335 12.619 1.00 0.00 O ATOM 301 CB LEU A 22 -1.611 2.319 9.680 1.00 0.00 C ATOM 302 CG LEU A 22 -1.621 1.560 8.351 1.00 0.00 C ATOM 303 CD1 LEU A 22 -0.799 0.274 8.448 1.00 0.00 C ATOM 304 CD2 LEU A 22 -3.054 1.290 7.885 1.00 0.00 C ATOM 0 H LEU A 22 -3.990 1.236 9.915 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.349 0.924 11.235 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.188 3.236 9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.585 2.615 9.899 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.149 2.188 7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.823 -0.246 7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.232 0.520 8.702 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.220 -0.369 9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.033 0.750 6.939 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.573 0.691 8.633 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.577 2.237 7.751 1.00 0.00 H new ATOM 316 N SER A 23 -1.640 3.372 12.392 1.00 0.00 N ATOM 317 CA SER A 23 -1.873 4.301 13.485 1.00 0.00 C ATOM 318 C SER A 23 -3.045 5.224 13.146 1.00 0.00 C ATOM 319 O SER A 23 -3.627 5.846 14.033 1.00 0.00 O ATOM 320 CB SER A 23 -0.619 5.124 13.785 1.00 0.00 C ATOM 321 OG SER A 23 -0.397 5.268 15.185 1.00 0.00 O ATOM 0 H SER A 23 -0.740 3.480 11.925 1.00 0.00 H new ATOM 0 HA SER A 23 -2.119 3.725 14.377 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.247 4.645 13.328 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.715 6.110 13.330 1.00 0.00 H new ATOM 0 HG SER A 23 0.414 5.798 15.335 1.00 0.00 H new ATOM 327 N ARG A 24 -3.358 5.283 11.860 1.00 0.00 N ATOM 328 CA ARG A 24 -4.450 6.120 11.392 1.00 0.00 C ATOM 329 C ARG A 24 -5.678 5.263 11.079 1.00 0.00 C ATOM 330 O ARG A 24 -5.660 4.049 11.279 1.00 0.00 O ATOM 331 CB ARG A 24 -4.048 6.901 10.140 1.00 0.00 C ATOM 332 CG ARG A 24 -2.910 7.877 10.444 1.00 0.00 C ATOM 333 CD ARG A 24 -3.141 9.222 9.752 1.00 0.00 C ATOM 334 NE ARG A 24 -2.011 10.135 10.031 1.00 0.00 N ATOM 335 CZ ARG A 24 -1.949 11.405 9.609 1.00 0.00 C ATOM 336 NH1 ARG A 24 -2.953 11.920 8.885 1.00 0.00 N ATOM 337 NH2 ARG A 24 -0.884 12.161 9.909 1.00 0.00 N ATOM 0 H ARG A 24 -2.874 4.764 11.127 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.689 6.828 12.186 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.738 6.207 9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.909 7.449 9.757 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.833 8.027 11.521 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.963 7.451 10.112 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.243 9.074 8.677 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.073 9.666 10.103 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.230 9.775 10.579 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.764 11.345 8.656 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.906 12.887 8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.119 11.770 10.459 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.838 13.128 9.587 1.00 0.00 H new ATOM 351 N ASN A 25 -6.716 5.928 10.593 1.00 0.00 N ATOM 352 CA ASN A 25 -7.950 5.243 10.250 1.00 0.00 C ATOM 353 C ASN A 25 -7.981 4.980 8.743 1.00 0.00 C ATOM 354 O ASN A 25 -7.393 5.732 7.966 1.00 0.00 O ATOM 355 CB ASN A 25 -9.170 6.094 10.606 1.00 0.00 C ATOM 356 CG ASN A 25 -9.480 6.009 12.102 1.00 0.00 C ATOM 357 OD1 ASN A 25 -8.952 5.181 12.826 1.00 0.00 O ATOM 358 ND2 ASN A 25 -10.364 6.909 12.524 1.00 0.00 N ATOM 0 H ASN A 25 -6.727 6.935 10.429 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.985 4.310 10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.988 7.132 10.327 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.033 5.757 10.032 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.637 6.934 13.506 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.769 7.574 11.865 1.00 0.00 H new ATOM 365 N LYS A 26 -8.672 3.912 8.374 1.00 0.00 N ATOM 366 CA LYS A 26 -8.787 3.541 6.974 1.00 0.00 C ATOM 367 C LYS A 26 -9.038 4.797 6.137 1.00 0.00 C ATOM 368 O LYS A 26 -8.354 5.031 5.142 1.00 0.00 O ATOM 369 CB LYS A 26 -9.853 2.458 6.793 1.00 0.00 C ATOM 370 CG LYS A 26 -10.034 2.110 5.314 1.00 0.00 C ATOM 371 CD LYS A 26 -9.340 0.791 4.972 1.00 0.00 C ATOM 372 CE LYS A 26 -10.297 -0.162 4.252 1.00 0.00 C ATOM 373 NZ LYS A 26 -10.636 -1.311 5.121 1.00 0.00 N ATOM 0 H LYS A 26 -9.158 3.291 9.021 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.855 3.101 6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.567 1.565 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.800 2.802 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.096 2.037 5.081 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.627 2.910 4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.472 0.985 4.342 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.972 0.322 5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.206 0.370 3.971 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.839 -0.519 3.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.286 -1.948 4.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.768 -1.827 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.093 -0.967 5.989 1.00 0.00 H new ATOM 387 N ASP A 27 -10.020 5.573 6.572 1.00 0.00 N ATOM 388 CA ASP A 27 -10.370 6.799 5.875 1.00 0.00 C ATOM 389 C ASP A 27 -9.129 7.687 5.761 1.00 0.00 C ATOM 390 O ASP A 27 -8.639 7.936 4.661 1.00 0.00 O ATOM 391 CB ASP A 27 -11.441 7.580 6.639 1.00 0.00 C ATOM 392 CG ASP A 27 -12.270 8.544 5.787 1.00 0.00 C ATOM 393 OD1 ASP A 27 -13.179 8.045 5.088 1.00 0.00 O ATOM 394 OD2 ASP A 27 -11.975 9.757 5.853 1.00 0.00 O ATOM 0 H ASP A 27 -10.584 5.376 7.399 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.753 6.530 4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.115 6.870 7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.958 8.146 7.435 1.00 0.00 H new ATOM 399 N GLU A 28 -8.656 8.139 6.913 1.00 0.00 N ATOM 400 CA GLU A 28 -7.482 8.994 6.956 1.00 0.00 C ATOM 401 C GLU A 28 -6.447 8.526 5.931 1.00 0.00 C ATOM 402 O GLU A 28 -5.770 9.344 5.309 1.00 0.00 O ATOM 403 CB GLU A 28 -6.882 9.031 8.363 1.00 0.00 C ATOM 404 CG GLU A 28 -7.828 9.727 9.344 1.00 0.00 C ATOM 405 CD GLU A 28 -7.058 10.666 10.275 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.344 10.136 11.153 1.00 0.00 O ATOM 407 OE2 GLU A 28 -7.201 11.894 10.087 1.00 0.00 O ATOM 0 H GLU A 28 -9.064 7.929 7.824 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.786 10.009 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.682 8.015 8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.926 9.554 8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.579 10.292 8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.360 8.980 9.933 1.00 0.00 H new ATOM 414 N VAL A 29 -6.357 7.212 5.786 1.00 0.00 N ATOM 415 CA VAL A 29 -5.416 6.626 4.847 1.00 0.00 C ATOM 416 C VAL A 29 -5.987 6.724 3.431 1.00 0.00 C ATOM 417 O VAL A 29 -5.342 7.265 2.534 1.00 0.00 O ATOM 418 CB VAL A 29 -5.089 5.189 5.261 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.193 4.510 4.224 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.447 5.152 6.650 1.00 0.00 C ATOM 0 H VAL A 29 -6.920 6.537 6.303 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.475 7.176 4.857 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.025 4.633 5.309 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.976 3.490 4.543 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.703 4.488 3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.261 5.067 4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.224 4.120 6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.524 5.732 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.135 5.578 7.380 1.00 0.00 H new ATOM 430 N LYS A 30 -7.190 6.193 3.274 1.00 0.00 N ATOM 431 CA LYS A 30 -7.855 6.214 1.983 1.00 0.00 C ATOM 432 C LYS A 30 -7.792 7.630 1.405 1.00 0.00 C ATOM 433 O LYS A 30 -7.737 7.806 0.189 1.00 0.00 O ATOM 434 CB LYS A 30 -9.277 5.661 2.102 1.00 0.00 C ATOM 435 CG LYS A 30 -10.110 6.019 0.870 1.00 0.00 C ATOM 436 CD LYS A 30 -11.593 5.728 1.107 1.00 0.00 C ATOM 437 CE LYS A 30 -12.097 4.639 0.158 1.00 0.00 C ATOM 438 NZ LYS A 30 -13.567 4.721 0.009 1.00 0.00 N ATOM 0 H LYS A 30 -7.722 5.745 4.020 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.341 5.558 1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.241 4.578 2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.753 6.062 2.996 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.977 7.074 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.757 5.450 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.745 5.414 2.140 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.174 6.639 0.962 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.620 4.748 -0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.819 3.657 0.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.892 3.975 -0.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.018 4.595 0.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.825 5.651 -0.377 1.00 0.00 H new ATOM 452 N ALA A 31 -7.804 8.603 2.304 1.00 0.00 N ATOM 453 CA ALA A 31 -7.749 9.997 1.899 1.00 0.00 C ATOM 454 C ALA A 31 -6.366 10.302 1.321 1.00 0.00 C ATOM 455 O ALA A 31 -6.254 10.840 0.221 1.00 0.00 O ATOM 456 CB ALA A 31 -8.091 10.890 3.094 1.00 0.00 C ATOM 0 H ALA A 31 -7.851 8.453 3.312 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.484 10.199 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.050 11.936 2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.094 10.655 3.449 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.373 10.716 3.895 1.00 0.00 H new ATOM 462 N MET A 32 -5.347 9.944 2.088 1.00 0.00 N ATOM 463 CA MET A 32 -3.976 10.172 1.666 1.00 0.00 C ATOM 464 C MET A 32 -3.712 9.544 0.296 1.00 0.00 C ATOM 465 O MET A 32 -3.267 10.223 -0.628 1.00 0.00 O ATOM 466 CB MET A 32 -3.017 9.572 2.696 1.00 0.00 C ATOM 467 CG MET A 32 -2.222 10.668 3.409 1.00 0.00 C ATOM 468 SD MET A 32 -1.230 11.568 2.230 1.00 0.00 S ATOM 469 CE MET A 32 0.274 11.759 3.173 1.00 0.00 C ATOM 0 H MET A 32 -5.444 9.497 3.000 1.00 0.00 H new ATOM 0 HA MET A 32 -3.814 11.247 1.589 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.580 8.992 3.427 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.331 8.883 2.202 1.00 0.00 H new ATOM 0 HG2 MET A 32 -2.903 11.349 3.919 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.582 10.226 4.173 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.701 12.743 2.982 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.052 11.660 4.236 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.988 10.990 2.878 1.00 0.00 H new ATOM 479 N ILE A 33 -3.998 8.253 0.208 1.00 0.00 N ATOM 480 CA ILE A 33 -3.798 7.525 -1.034 1.00 0.00 C ATOM 481 C ILE A 33 -4.493 8.271 -2.175 1.00 0.00 C ATOM 482 O ILE A 33 -4.032 8.238 -3.315 1.00 0.00 O ATOM 483 CB ILE A 33 -4.251 6.072 -0.882 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.466 5.365 0.225 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.159 5.327 -2.216 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.329 4.310 0.920 1.00 0.00 C ATOM 0 H ILE A 33 -4.367 7.692 0.976 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.738 7.479 -1.283 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.299 6.071 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.579 4.894 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.121 6.097 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.487 4.296 -2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.797 5.817 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.127 5.336 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.748 3.822 1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.203 4.788 1.362 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.652 3.567 0.191 1.00 0.00 H new ATOM 498 N GLU A 34 -5.592 8.926 -1.829 1.00 0.00 N ATOM 499 CA GLU A 34 -6.355 9.678 -2.810 1.00 0.00 C ATOM 500 C GLU A 34 -5.707 11.042 -3.054 1.00 0.00 C ATOM 501 O GLU A 34 -5.477 11.428 -4.200 1.00 0.00 O ATOM 502 CB GLU A 34 -7.812 9.834 -2.369 1.00 0.00 C ATOM 503 CG GLU A 34 -8.620 8.575 -2.689 1.00 0.00 C ATOM 504 CD GLU A 34 -10.083 8.921 -2.972 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.343 9.424 -4.086 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.910 8.673 -2.067 1.00 0.00 O ATOM 0 H GLU A 34 -5.972 8.951 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.351 9.123 -3.748 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.852 10.034 -1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.257 10.693 -2.870 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.188 8.071 -3.553 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.562 7.879 -1.852 1.00 0.00 H new ATOM 513 N LYS A 35 -5.430 11.735 -1.959 1.00 0.00 N ATOM 514 CA LYS A 35 -4.812 13.048 -2.041 1.00 0.00 C ATOM 515 C LYS A 35 -3.495 12.940 -2.810 1.00 0.00 C ATOM 516 O LYS A 35 -3.080 13.889 -3.473 1.00 0.00 O ATOM 517 CB LYS A 35 -4.661 13.656 -0.645 1.00 0.00 C ATOM 518 CG LYS A 35 -3.273 13.368 -0.069 1.00 0.00 C ATOM 519 CD LYS A 35 -2.286 14.478 -0.436 1.00 0.00 C ATOM 520 CE LYS A 35 -2.452 15.687 0.487 1.00 0.00 C ATOM 521 NZ LYS A 35 -1.245 16.541 0.444 1.00 0.00 N ATOM 0 H LYS A 35 -5.622 11.412 -1.011 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.450 13.736 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.822 14.733 -0.694 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.425 13.249 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.337 13.277 1.015 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.909 12.413 -0.448 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.266 14.100 -0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.443 14.782 -1.471 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.325 16.266 0.185 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.630 15.351 1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.374 17.357 1.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.419 15.990 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.092 16.877 -0.528 1.00 0.00 H new ATOM 535 N LEU A 36 -2.873 11.775 -2.697 1.00 0.00 N ATOM 536 CA LEU A 36 -1.611 11.531 -3.374 1.00 0.00 C ATOM 537 C LEU A 36 -1.884 11.152 -4.831 1.00 0.00 C ATOM 538 O LEU A 36 -0.961 10.818 -5.573 1.00 0.00 O ATOM 539 CB LEU A 36 -0.787 10.492 -2.613 1.00 0.00 C ATOM 540 CG LEU A 36 -0.258 10.927 -1.244 1.00 0.00 C ATOM 541 CD1 LEU A 36 0.135 9.715 -0.398 1.00 0.00 C ATOM 542 CD2 LEU A 36 0.895 11.921 -1.392 1.00 0.00 C ATOM 0 H LEU A 36 -3.220 10.990 -2.146 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.005 12.437 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.399 9.600 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.062 10.205 -3.234 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.060 11.442 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.508 10.052 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.736 9.077 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.914 9.151 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.252 12.214 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.708 11.455 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.548 12.804 -1.929 1.00 0.00 H new ATOM 554 N GLY A 37 -3.156 11.217 -5.198 1.00 0.00 N ATOM 555 CA GLY A 37 -3.561 10.884 -6.553 1.00 0.00 C ATOM 556 C GLY A 37 -3.892 9.395 -6.677 1.00 0.00 C ATOM 557 O GLY A 37 -4.534 8.976 -7.639 1.00 0.00 O ATOM 0 H GLY A 37 -3.919 11.495 -4.581 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.431 11.478 -6.832 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.762 11.142 -7.249 1.00 0.00 H new ATOM 561 N GLY A 38 -3.439 8.637 -5.689 1.00 0.00 N ATOM 562 CA GLY A 38 -3.678 7.204 -5.675 1.00 0.00 C ATOM 563 C GLY A 38 -5.148 6.897 -5.380 1.00 0.00 C ATOM 564 O GLY A 38 -6.003 7.774 -5.487 1.00 0.00 O ATOM 0 H GLY A 38 -2.908 8.989 -4.892 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.399 6.776 -6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.046 6.733 -4.922 1.00 0.00 H new ATOM 568 N LYS A 39 -5.396 5.648 -5.014 1.00 0.00 N ATOM 569 CA LYS A 39 -6.747 5.214 -4.703 1.00 0.00 C ATOM 570 C LYS A 39 -6.687 3.936 -3.864 1.00 0.00 C ATOM 571 O LYS A 39 -5.979 2.993 -4.212 1.00 0.00 O ATOM 572 CB LYS A 39 -7.573 5.070 -5.983 1.00 0.00 C ATOM 573 CG LYS A 39 -8.437 6.311 -6.220 1.00 0.00 C ATOM 574 CD LYS A 39 -9.925 5.970 -6.118 1.00 0.00 C ATOM 575 CE LYS A 39 -10.716 6.625 -7.252 1.00 0.00 C ATOM 576 NZ LYS A 39 -10.533 5.873 -8.513 1.00 0.00 N ATOM 0 H LYS A 39 -4.684 4.923 -4.926 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.259 5.967 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.909 4.917 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.209 4.188 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.185 7.079 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.222 6.726 -7.205 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.057 4.889 -6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.314 6.306 -5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.774 6.660 -6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.387 7.655 -7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.077 6.331 -9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.525 5.862 -8.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.869 4.897 -8.387 1.00 0.00 H new ATOM 590 N LEU A 40 -7.440 3.946 -2.773 1.00 0.00 N ATOM 591 CA LEU A 40 -7.481 2.799 -1.882 1.00 0.00 C ATOM 592 C LEU A 40 -8.435 1.749 -2.453 1.00 0.00 C ATOM 593 O LEU A 40 -9.357 2.081 -3.197 1.00 0.00 O ATOM 594 CB LEU A 40 -7.832 3.239 -0.459 1.00 0.00 C ATOM 595 CG LEU A 40 -7.651 2.184 0.633 1.00 0.00 C ATOM 596 CD1 LEU A 40 -7.060 2.803 1.901 1.00 0.00 C ATOM 597 CD2 LEU A 40 -8.965 1.451 0.912 1.00 0.00 C ATOM 0 H LEU A 40 -8.026 4.730 -2.486 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.498 2.334 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.219 4.104 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.870 3.570 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.938 1.441 0.275 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.942 2.031 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.088 3.240 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.729 3.579 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.808 0.706 1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.718 2.167 1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.306 0.957 0.002 1.00 0.00 H new ATOM 609 N THR A 41 -8.181 0.502 -2.084 1.00 0.00 N ATOM 610 CA THR A 41 -9.006 -0.600 -2.550 1.00 0.00 C ATOM 611 C THR A 41 -9.276 -1.584 -1.411 1.00 0.00 C ATOM 612 O THR A 41 -8.647 -1.506 -0.356 1.00 0.00 O ATOM 613 CB THR A 41 -8.306 -1.239 -3.752 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.082 -2.402 -4.027 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.922 -1.788 -3.399 1.00 0.00 C ATOM 0 H THR A 41 -7.415 0.230 -1.467 1.00 0.00 H new ATOM 0 HA THR A 41 -9.986 -0.250 -2.874 1.00 0.00 H new ATOM 0 HB THR A 41 -8.211 -0.504 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.699 -2.877 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.469 -2.230 -4.286 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.291 -0.977 -3.035 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.019 -2.548 -2.624 1.00 0.00 H new ATOM 623 N GLY A 42 -10.213 -2.487 -1.661 1.00 0.00 N ATOM 624 CA GLY A 42 -10.574 -3.485 -0.668 1.00 0.00 C ATOM 625 C GLY A 42 -9.832 -4.800 -0.918 1.00 0.00 C ATOM 626 O GLY A 42 -9.381 -5.450 0.023 1.00 0.00 O ATOM 0 H GLY A 42 -10.733 -2.548 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.337 -3.114 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.650 -3.659 -0.696 1.00 0.00 H new ATOM 630 N THR A 43 -9.730 -5.152 -2.191 1.00 0.00 N ATOM 631 CA THR A 43 -9.051 -6.377 -2.577 1.00 0.00 C ATOM 632 C THR A 43 -7.541 -6.147 -2.658 1.00 0.00 C ATOM 633 O THR A 43 -7.085 -5.006 -2.716 1.00 0.00 O ATOM 634 CB THR A 43 -9.663 -6.864 -3.892 1.00 0.00 C ATOM 635 OG1 THR A 43 -11.063 -6.907 -3.628 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.298 -8.316 -4.206 1.00 0.00 C ATOM 0 H THR A 43 -10.106 -4.610 -2.969 1.00 0.00 H new ATOM 0 HA THR A 43 -9.190 -7.158 -1.829 1.00 0.00 H new ATOM 0 HB THR A 43 -9.329 -6.222 -4.707 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.538 -7.211 -4.429 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.758 -8.611 -5.149 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.215 -8.410 -4.285 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.661 -8.963 -3.408 1.00 0.00 H new ATOM 644 N ALA A 44 -6.806 -7.249 -2.661 1.00 0.00 N ATOM 645 CA ALA A 44 -5.356 -7.182 -2.734 1.00 0.00 C ATOM 646 C ALA A 44 -4.911 -7.430 -4.177 1.00 0.00 C ATOM 647 O ALA A 44 -4.191 -6.618 -4.756 1.00 0.00 O ATOM 648 CB ALA A 44 -4.748 -8.189 -1.755 1.00 0.00 C ATOM 0 H ALA A 44 -7.187 -8.194 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.002 -6.192 -2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.661 -8.139 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.072 -7.952 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.078 -9.195 -2.015 1.00 0.00 H new ATOM 654 N ASN A 45 -5.357 -8.556 -4.715 1.00 0.00 N ATOM 655 CA ASN A 45 -5.014 -8.921 -6.079 1.00 0.00 C ATOM 656 C ASN A 45 -5.339 -7.753 -7.012 1.00 0.00 C ATOM 657 O ASN A 45 -4.698 -7.584 -8.048 1.00 0.00 O ATOM 658 CB ASN A 45 -5.819 -10.136 -6.543 1.00 0.00 C ATOM 659 CG ASN A 45 -5.048 -10.936 -7.594 1.00 0.00 C ATOM 660 OD1 ASN A 45 -3.938 -11.392 -7.373 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.695 -11.080 -8.747 1.00 0.00 N ATOM 0 H ASN A 45 -5.953 -9.227 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.951 -9.161 -6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.045 -10.774 -5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.772 -9.808 -6.958 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.264 -11.598 -9.513 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.623 -10.673 -8.866 1.00 0.00 H new ATOM 668 N LYS A 46 -6.335 -6.976 -6.611 1.00 0.00 N ATOM 669 CA LYS A 46 -6.753 -5.829 -7.399 1.00 0.00 C ATOM 670 C LYS A 46 -6.137 -4.559 -6.809 1.00 0.00 C ATOM 671 O LYS A 46 -6.800 -3.527 -6.720 1.00 0.00 O ATOM 672 CB LYS A 46 -8.279 -5.780 -7.506 1.00 0.00 C ATOM 673 CG LYS A 46 -8.823 -7.044 -8.175 1.00 0.00 C ATOM 674 CD LYS A 46 -9.697 -6.693 -9.381 1.00 0.00 C ATOM 675 CE LYS A 46 -10.249 -7.956 -10.044 1.00 0.00 C ATOM 676 NZ LYS A 46 -9.867 -8.000 -11.473 1.00 0.00 N ATOM 0 H LYS A 46 -6.864 -7.118 -5.751 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.387 -5.916 -8.422 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.714 -5.675 -6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.579 -4.903 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.994 -7.677 -8.494 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.405 -7.619 -7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.521 -6.055 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.113 -6.124 -10.104 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.867 -8.839 -9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.335 -7.978 -9.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.250 -8.864 -11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.252 -7.166 -11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.830 -8.001 -11.555 1.00 0.00 H new ATOM 690 N ALA A 47 -4.875 -4.677 -6.422 1.00 0.00 N ATOM 691 CA ALA A 47 -4.162 -3.551 -5.843 1.00 0.00 C ATOM 692 C ALA A 47 -2.730 -3.530 -6.381 1.00 0.00 C ATOM 693 O ALA A 47 -2.172 -4.574 -6.714 1.00 0.00 O ATOM 694 CB ALA A 47 -4.210 -3.646 -4.317 1.00 0.00 C ATOM 0 H ALA A 47 -4.328 -5.535 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.635 -2.611 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.675 -2.801 -3.883 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.248 -3.628 -3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.741 -4.576 -3.995 1.00 0.00 H new ATOM 700 N SER A 48 -2.175 -2.328 -6.449 1.00 0.00 N ATOM 701 CA SER A 48 -0.818 -2.157 -6.940 1.00 0.00 C ATOM 702 C SER A 48 0.155 -2.055 -5.764 1.00 0.00 C ATOM 703 O SER A 48 1.347 -2.318 -5.916 1.00 0.00 O ATOM 704 CB SER A 48 -0.707 -0.918 -7.830 1.00 0.00 C ATOM 705 OG SER A 48 -1.308 -1.121 -9.106 1.00 0.00 O ATOM 0 H SER A 48 -2.641 -1.464 -6.172 1.00 0.00 H new ATOM 0 HA SER A 48 -0.560 -3.028 -7.542 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.184 -0.072 -7.335 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.344 -0.659 -7.961 1.00 0.00 H new ATOM 0 HG SER A 48 -1.218 -0.307 -9.643 1.00 0.00 H new ATOM 711 N LEU A 49 -0.389 -1.674 -4.618 1.00 0.00 N ATOM 712 CA LEU A 49 0.417 -1.534 -3.417 1.00 0.00 C ATOM 713 C LEU A 49 -0.334 -2.143 -2.231 1.00 0.00 C ATOM 714 O LEU A 49 -1.518 -2.457 -2.336 1.00 0.00 O ATOM 715 CB LEU A 49 0.816 -0.072 -3.207 1.00 0.00 C ATOM 716 CG LEU A 49 2.295 0.257 -3.422 1.00 0.00 C ATOM 717 CD1 LEU A 49 2.552 1.757 -3.262 1.00 0.00 C ATOM 718 CD2 LEU A 49 3.183 -0.579 -2.498 1.00 0.00 C ATOM 0 H LEU A 49 -1.378 -1.458 -4.495 1.00 0.00 H new ATOM 0 HA LEU A 49 1.353 -2.084 -3.519 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.225 0.546 -3.883 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.544 0.216 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 49 2.558 -0.007 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.611 1.964 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.962 2.307 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.267 2.070 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.229 -0.326 -2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.926 -0.370 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.027 -1.638 -2.704 1.00 0.00 H new ATOM 730 N CYS A 50 0.387 -2.292 -1.129 1.00 0.00 N ATOM 731 CA CYS A 50 -0.196 -2.857 0.076 1.00 0.00 C ATOM 732 C CYS A 50 0.437 -2.168 1.286 1.00 0.00 C ATOM 733 O CYS A 50 1.659 -2.152 1.426 1.00 0.00 O ATOM 734 CB CYS A 50 -0.023 -4.377 0.129 1.00 0.00 C ATOM 735 SG CYS A 50 -0.974 -5.067 1.531 1.00 0.00 S ATOM 0 H CYS A 50 1.370 -2.031 -1.046 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.271 -2.679 0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.363 -4.823 -0.806 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.032 -4.628 0.236 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.384 -6.139 1.969 1.00 0.00 H new ATOM 741 N ILE A 51 -0.422 -1.615 2.129 1.00 0.00 N ATOM 742 CA ILE A 51 0.039 -0.927 3.323 1.00 0.00 C ATOM 743 C ILE A 51 -0.365 -1.732 4.559 1.00 0.00 C ATOM 744 O ILE A 51 -1.486 -1.603 5.050 1.00 0.00 O ATOM 745 CB ILE A 51 -0.467 0.517 3.337 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.198 1.342 2.234 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.281 1.150 4.718 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.215 2.813 2.324 1.00 0.00 C ATOM 0 H ILE A 51 -1.435 -1.629 2.009 1.00 0.00 H new ATOM 0 HA ILE A 51 1.127 -0.860 3.328 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.537 0.506 3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.282 1.259 2.316 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.079 0.942 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.649 2.176 4.700 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.839 0.577 5.459 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.777 1.148 4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.272 3.377 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.297 2.894 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.085 3.217 3.291 1.00 0.00 H new ATOM 760 N SER A 52 0.570 -2.545 5.028 1.00 0.00 N ATOM 761 CA SER A 52 0.325 -3.372 6.198 1.00 0.00 C ATOM 762 C SER A 52 1.444 -3.173 7.222 1.00 0.00 C ATOM 763 O SER A 52 2.287 -2.291 7.063 1.00 0.00 O ATOM 764 CB SER A 52 0.212 -4.849 5.815 1.00 0.00 C ATOM 765 OG SER A 52 -0.440 -5.614 6.825 1.00 0.00 O ATOM 0 H SER A 52 1.499 -2.649 4.619 1.00 0.00 H new ATOM 0 HA SER A 52 -0.623 -3.066 6.641 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.339 -4.940 4.879 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.208 -5.255 5.639 1.00 0.00 H new ATOM 0 HG SER A 52 -1.086 -5.049 7.298 1.00 0.00 H new ATOM 771 N THR A 53 1.415 -4.006 8.252 1.00 0.00 N ATOM 772 CA THR A 53 2.417 -3.933 9.302 1.00 0.00 C ATOM 773 C THR A 53 3.277 -5.198 9.308 1.00 0.00 C ATOM 774 O THR A 53 2.993 -6.149 8.582 1.00 0.00 O ATOM 775 CB THR A 53 1.694 -3.683 10.627 1.00 0.00 C ATOM 776 OG1 THR A 53 1.034 -4.916 10.901 1.00 0.00 O ATOM 777 CG2 THR A 53 0.554 -2.672 10.491 1.00 0.00 C ATOM 0 H THR A 53 0.713 -4.735 8.382 1.00 0.00 H new ATOM 0 HA THR A 53 3.110 -3.109 9.132 1.00 0.00 H new ATOM 0 HB THR A 53 2.409 -3.326 11.368 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.088 -4.842 10.657 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.075 -2.531 11.460 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.952 -1.719 10.142 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.178 -3.044 9.774 1.00 0.00 H new ATOM 785 N LYS A 54 4.311 -5.168 10.136 1.00 0.00 N ATOM 786 CA LYS A 54 5.214 -6.301 10.246 1.00 0.00 C ATOM 787 C LYS A 54 4.442 -7.515 10.766 1.00 0.00 C ATOM 788 O LYS A 54 4.610 -8.624 10.263 1.00 0.00 O ATOM 789 CB LYS A 54 6.431 -5.934 11.099 1.00 0.00 C ATOM 790 CG LYS A 54 7.226 -7.183 11.484 1.00 0.00 C ATOM 791 CD LYS A 54 8.074 -7.678 10.310 1.00 0.00 C ATOM 792 CE LYS A 54 9.424 -6.959 10.267 1.00 0.00 C ATOM 793 NZ LYS A 54 10.071 -7.150 8.950 1.00 0.00 N ATOM 0 H LYS A 54 4.543 -4.377 10.737 1.00 0.00 H new ATOM 0 HA LYS A 54 5.609 -6.570 9.266 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.072 -5.246 10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.105 -5.414 12.000 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.871 -6.960 12.334 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.542 -7.970 11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.233 -8.753 10.399 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.539 -7.511 9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.282 -5.895 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.072 -7.341 11.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.986 -6.656 8.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.224 -8.165 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.459 -6.764 8.203 1.00 0.00 H new ATOM 807 N LYS A 55 3.612 -7.264 11.768 1.00 0.00 N ATOM 808 CA LYS A 55 2.814 -8.322 12.362 1.00 0.00 C ATOM 809 C LYS A 55 2.049 -9.058 11.260 1.00 0.00 C ATOM 810 O LYS A 55 2.135 -10.280 11.150 1.00 0.00 O ATOM 811 CB LYS A 55 1.914 -7.761 13.465 1.00 0.00 C ATOM 812 CG LYS A 55 2.443 -8.138 14.850 1.00 0.00 C ATOM 813 CD LYS A 55 3.270 -6.999 15.450 1.00 0.00 C ATOM 814 CE LYS A 55 4.726 -7.424 15.646 1.00 0.00 C ATOM 815 NZ LYS A 55 4.806 -8.610 16.528 1.00 0.00 N ATOM 0 H LYS A 55 3.475 -6.342 12.183 1.00 0.00 H new ATOM 0 HA LYS A 55 3.457 -9.055 12.849 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.858 -6.676 13.376 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.901 -8.144 13.342 1.00 0.00 H new ATOM 0 HG2 LYS A 55 1.608 -8.373 15.510 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.055 -9.037 14.777 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.226 -6.129 14.795 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.843 -6.699 16.407 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.178 -7.651 14.680 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.296 -6.602 16.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.680 -8.566 17.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.984 -8.625 17.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.810 -9.474 15.949 1.00 0.00 H new ATOM 829 N GLU A 56 1.319 -8.283 10.471 1.00 0.00 N ATOM 830 CA GLU A 56 0.540 -8.846 9.382 1.00 0.00 C ATOM 831 C GLU A 56 1.418 -9.751 8.514 1.00 0.00 C ATOM 832 O GLU A 56 1.199 -10.960 8.452 1.00 0.00 O ATOM 833 CB GLU A 56 -0.106 -7.742 8.543 1.00 0.00 C ATOM 834 CG GLU A 56 -1.593 -7.600 8.875 1.00 0.00 C ATOM 835 CD GLU A 56 -1.792 -7.211 10.342 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.883 -8.144 11.169 1.00 0.00 O ATOM 837 OE2 GLU A 56 -1.849 -5.990 10.602 1.00 0.00 O ATOM 0 H GLU A 56 1.251 -7.270 10.565 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.261 -9.450 9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.403 -6.796 8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.014 -7.968 7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.043 -6.845 8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.106 -8.540 8.671 1.00 0.00 H new ATOM 844 N VAL A 57 2.393 -9.131 7.866 1.00 0.00 N ATOM 845 CA VAL A 57 3.305 -9.866 7.006 1.00 0.00 C ATOM 846 C VAL A 57 3.859 -11.071 7.767 1.00 0.00 C ATOM 847 O VAL A 57 4.303 -12.044 7.159 1.00 0.00 O ATOM 848 CB VAL A 57 4.400 -8.932 6.485 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.411 -9.697 5.629 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.798 -7.761 5.707 1.00 0.00 C ATOM 0 H VAL A 57 2.571 -8.128 7.919 1.00 0.00 H new ATOM 0 HA VAL A 57 2.779 -10.249 6.131 1.00 0.00 H new ATOM 0 HB VAL A 57 4.930 -8.524 7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.178 -9.010 5.271 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.876 -10.480 6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.900 -10.146 4.777 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.598 -7.113 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.231 -8.142 4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.136 -7.192 6.360 1.00 0.00 H new ATOM 860 N GLU A 58 3.815 -10.968 9.088 1.00 0.00 N ATOM 861 CA GLU A 58 4.307 -12.038 9.939 1.00 0.00 C ATOM 862 C GLU A 58 3.222 -13.097 10.141 1.00 0.00 C ATOM 863 O GLU A 58 3.525 -14.278 10.304 1.00 0.00 O ATOM 864 CB GLU A 58 4.795 -11.490 11.281 1.00 0.00 C ATOM 865 CG GLU A 58 6.310 -11.278 11.269 1.00 0.00 C ATOM 866 CD GLU A 58 6.873 -11.264 12.692 1.00 0.00 C ATOM 867 OE1 GLU A 58 6.830 -12.338 13.330 1.00 0.00 O ATOM 868 OE2 GLU A 58 7.334 -10.180 13.109 1.00 0.00 O ATOM 0 H GLU A 58 3.446 -10.160 9.589 1.00 0.00 H new ATOM 0 HA GLU A 58 5.157 -12.507 9.445 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.294 -10.546 11.496 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.527 -12.182 12.079 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.787 -12.071 10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.545 -10.337 10.772 1.00 0.00 H new ATOM 875 N LYS A 59 1.980 -12.637 10.122 1.00 0.00 N ATOM 876 CA LYS A 59 0.848 -13.531 10.301 1.00 0.00 C ATOM 877 C LYS A 59 0.663 -14.372 9.037 1.00 0.00 C ATOM 878 O LYS A 59 0.314 -15.549 9.116 1.00 0.00 O ATOM 879 CB LYS A 59 -0.400 -12.741 10.703 1.00 0.00 C ATOM 880 CG LYS A 59 -1.345 -12.566 9.512 1.00 0.00 C ATOM 881 CD LYS A 59 -2.283 -11.377 9.727 1.00 0.00 C ATOM 882 CE LYS A 59 -3.658 -11.843 10.208 1.00 0.00 C ATOM 883 NZ LYS A 59 -4.725 -11.281 9.350 1.00 0.00 N ATOM 0 H LYS A 59 1.732 -11.657 9.985 1.00 0.00 H new ATOM 0 HA LYS A 59 1.036 -14.225 11.121 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.918 -13.259 11.510 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.108 -11.764 11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.765 -12.416 8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.930 -13.475 9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.850 -10.695 10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.389 -10.820 8.796 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.706 -12.932 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.813 -11.533 11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.455 -12.003 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.152 -10.458 9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.319 -10.987 8.439 1.00 0.00 H new ATOM 897 N MET A 60 0.904 -13.735 7.900 1.00 0.00 N ATOM 898 CA MET A 60 0.769 -14.410 6.621 1.00 0.00 C ATOM 899 C MET A 60 -0.616 -15.045 6.480 1.00 0.00 C ATOM 900 O MET A 60 -0.731 -16.236 6.192 1.00 0.00 O ATOM 901 CB MET A 60 1.842 -15.494 6.499 1.00 0.00 C ATOM 902 CG MET A 60 3.081 -14.960 5.776 1.00 0.00 C ATOM 903 SD MET A 60 2.932 -15.243 4.020 1.00 0.00 S ATOM 904 CE MET A 60 2.426 -13.618 3.485 1.00 0.00 C ATOM 0 H MET A 60 1.192 -12.758 7.839 1.00 0.00 H new ATOM 0 HA MET A 60 0.893 -13.673 5.828 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.120 -15.849 7.491 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.440 -16.349 5.956 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.196 -13.894 5.972 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.975 -15.453 6.158 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.785 -13.707 2.608 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.877 -13.125 4.287 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.307 -13.027 3.233 1.00 0.00 H new ATOM 914 N ASN A 61 -1.633 -14.223 6.690 1.00 0.00 N ATOM 915 CA ASN A 61 -3.006 -14.689 6.591 1.00 0.00 C ATOM 916 C ASN A 61 -3.469 -14.589 5.136 1.00 0.00 C ATOM 917 O ASN A 61 -2.828 -13.928 4.321 1.00 0.00 O ATOM 918 CB ASN A 61 -3.942 -13.832 7.445 1.00 0.00 C ATOM 919 CG ASN A 61 -5.406 -14.194 7.187 1.00 0.00 C ATOM 920 OD1 ASN A 61 -5.807 -15.345 7.244 1.00 0.00 O ATOM 921 ND2 ASN A 61 -6.179 -13.151 6.900 1.00 0.00 N ATOM 0 H ASN A 61 -1.534 -13.236 6.929 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.039 -15.720 6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.709 -13.974 8.500 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.780 -12.777 7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.172 -13.289 6.711 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -5.779 -12.213 6.869 1.00 0.00 H new ATOM 928 N LYS A 62 -4.580 -15.254 4.855 1.00 0.00 N ATOM 929 CA LYS A 62 -5.137 -15.249 3.513 1.00 0.00 C ATOM 930 C LYS A 62 -4.998 -13.847 2.914 1.00 0.00 C ATOM 931 O LYS A 62 -4.705 -13.701 1.729 1.00 0.00 O ATOM 932 CB LYS A 62 -6.574 -15.772 3.527 1.00 0.00 C ATOM 933 CG LYS A 62 -6.610 -17.284 3.296 1.00 0.00 C ATOM 934 CD LYS A 62 -6.147 -18.040 4.543 1.00 0.00 C ATOM 935 CE LYS A 62 -6.394 -19.543 4.397 1.00 0.00 C ATOM 936 NZ LYS A 62 -5.124 -20.292 4.518 1.00 0.00 N ATOM 0 H LYS A 62 -5.110 -15.800 5.534 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.582 -15.929 2.867 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.041 -15.535 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.155 -15.269 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.623 -17.592 3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.971 -17.542 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.086 -17.857 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.677 -17.664 5.418 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.095 -19.878 5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -6.854 -19.750 3.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.310 -21.310 4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.467 -19.984 3.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.700 -20.109 5.450 1.00 0.00 H new ATOM 950 N LYS A 63 -5.216 -12.852 3.761 1.00 0.00 N ATOM 951 CA LYS A 63 -5.119 -11.468 3.331 1.00 0.00 C ATOM 952 C LYS A 63 -3.745 -11.229 2.702 1.00 0.00 C ATOM 953 O LYS A 63 -3.647 -10.899 1.521 1.00 0.00 O ATOM 954 CB LYS A 63 -5.438 -10.522 4.490 1.00 0.00 C ATOM 955 CG LYS A 63 -6.919 -10.596 4.867 1.00 0.00 C ATOM 956 CD LYS A 63 -7.644 -9.300 4.497 1.00 0.00 C ATOM 957 CE LYS A 63 -7.975 -8.482 5.747 1.00 0.00 C ATOM 958 NZ LYS A 63 -7.662 -7.052 5.528 1.00 0.00 N ATOM 0 H LYS A 63 -5.460 -12.977 4.744 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.863 -11.255 2.563 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.826 -10.781 5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.181 -9.500 4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.387 -11.437 4.356 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.017 -10.779 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.021 -8.709 3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.562 -9.534 3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.030 -8.596 5.994 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.406 -8.859 6.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.892 -6.511 6.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.650 -6.947 5.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.224 -6.692 4.730 1.00 0.00 H new ATOM 972 N MET A 64 -2.717 -11.405 3.520 1.00 0.00 N ATOM 973 CA MET A 64 -1.352 -11.212 3.059 1.00 0.00 C ATOM 974 C MET A 64 -1.040 -12.126 1.872 1.00 0.00 C ATOM 975 O MET A 64 -0.123 -11.855 1.099 1.00 0.00 O ATOM 976 CB MET A 64 -0.380 -11.509 4.202 1.00 0.00 C ATOM 977 CG MET A 64 1.002 -10.919 3.915 1.00 0.00 C ATOM 978 SD MET A 64 0.874 -9.154 3.678 1.00 0.00 S ATOM 979 CE MET A 64 0.061 -8.695 5.200 1.00 0.00 C ATOM 0 H MET A 64 -2.802 -11.679 4.499 1.00 0.00 H new ATOM 0 HA MET A 64 -1.240 -10.177 2.736 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.770 -11.095 5.132 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.297 -12.587 4.343 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.678 -11.135 4.742 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.428 -11.384 3.026 1.00 0.00 H new ATOM 0 HE1 MET A 64 0.109 -7.613 5.326 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.982 -9.011 5.165 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.559 -9.180 6.039 1.00 0.00 H new ATOM 989 N GLU A 65 -1.821 -13.192 1.766 1.00 0.00 N ATOM 990 CA GLU A 65 -1.639 -14.148 0.687 1.00 0.00 C ATOM 991 C GLU A 65 -2.186 -13.579 -0.624 1.00 0.00 C ATOM 992 O GLU A 65 -1.712 -13.931 -1.703 1.00 0.00 O ATOM 993 CB GLU A 65 -2.301 -15.486 1.023 1.00 0.00 C ATOM 994 CG GLU A 65 -1.381 -16.351 1.887 1.00 0.00 C ATOM 995 CD GLU A 65 -1.079 -17.685 1.200 1.00 0.00 C ATOM 996 OE1 GLU A 65 -0.879 -17.655 -0.034 1.00 0.00 O ATOM 997 OE2 GLU A 65 -1.054 -18.703 1.924 1.00 0.00 O ATOM 0 H GLU A 65 -2.581 -13.414 2.409 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.571 -14.329 0.564 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.240 -15.310 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.546 -16.016 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.450 -15.818 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.850 -16.534 2.854 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.177 -12.710 -0.487 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.794 -12.089 -1.647 1.00 0.00 C ATOM 1006 C GLU A 66 -2.830 -11.089 -2.288 1.00 0.00 C ATOM 1007 O GLU A 66 -2.930 -10.803 -3.481 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.114 -11.415 -1.270 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.136 -12.443 -0.781 1.00 0.00 C ATOM 1010 CD GLU A 66 -7.277 -12.604 -1.788 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -7.028 -13.246 -2.831 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -8.373 -12.081 -1.491 1.00 0.00 O ATOM 0 H GLU A 66 -3.568 -12.421 0.410 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.017 -12.867 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.938 -10.673 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.514 -10.882 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.645 -13.404 -0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.538 -12.131 0.183 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.919 -10.585 -1.469 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.938 -9.623 -1.942 1.00 0.00 C ATOM 1021 C VAL A 67 0.363 -10.352 -2.282 1.00 0.00 C ATOM 1022 O VAL A 67 1.131 -9.898 -3.129 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.749 -8.515 -0.904 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -1.381 -8.904 0.434 1.00 0.00 C ATOM 1025 CG2 VAL A 67 0.732 -8.172 -0.732 1.00 0.00 C ATOM 0 H VAL A 67 -1.839 -10.825 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.287 -9.139 -2.854 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.259 -7.623 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.233 -8.099 1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.449 -9.075 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.913 -9.815 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.839 -7.382 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.274 -9.057 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.140 -7.832 -1.684 1.00 0.00 H new ATOM 1035 N LYS A 68 0.571 -11.471 -1.603 1.00 0.00 N ATOM 1036 CA LYS A 68 1.767 -12.268 -1.822 1.00 0.00 C ATOM 1037 C LYS A 68 1.637 -13.020 -3.149 1.00 0.00 C ATOM 1038 O LYS A 68 2.636 -13.455 -3.720 1.00 0.00 O ATOM 1039 CB LYS A 68 2.030 -13.180 -0.622 1.00 0.00 C ATOM 1040 CG LYS A 68 3.373 -13.899 -0.765 1.00 0.00 C ATOM 1041 CD LYS A 68 3.995 -14.177 0.605 1.00 0.00 C ATOM 1042 CE LYS A 68 5.343 -14.886 0.462 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.323 -16.186 1.169 1.00 0.00 N ATOM 0 H LYS A 68 -0.068 -11.845 -0.901 1.00 0.00 H new ATOM 0 HA LYS A 68 2.644 -11.626 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.024 -12.591 0.295 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.228 -13.913 -0.535 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.232 -14.837 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.054 -13.291 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.129 -13.239 1.145 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.318 -14.792 1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.568 -15.043 -0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.136 -14.257 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.246 -16.654 1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.130 -16.029 2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.580 -16.790 0.764 1.00 0.00 H new ATOM 1057 N GLU A 69 0.398 -13.149 -3.600 1.00 0.00 N ATOM 1058 CA GLU A 69 0.125 -13.841 -4.849 1.00 0.00 C ATOM 1059 C GLU A 69 0.358 -12.904 -6.036 1.00 0.00 C ATOM 1060 O GLU A 69 0.990 -13.288 -7.019 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.297 -14.403 -4.864 1.00 0.00 C ATOM 1062 CG GLU A 69 -2.307 -13.331 -5.279 1.00 0.00 C ATOM 1063 CD GLU A 69 -3.737 -13.872 -5.222 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -4.063 -14.506 -4.195 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -4.471 -13.639 -6.206 1.00 0.00 O ATOM 0 H GLU A 69 -0.428 -12.786 -3.124 1.00 0.00 H new ATOM 0 HA GLU A 69 0.813 -14.682 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.352 -15.245 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.552 -14.784 -3.875 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.215 -12.466 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.084 -12.988 -6.289 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.167 -11.695 -5.906 1.00 0.00 N ATOM 1073 CA ALA A 70 -0.024 -10.700 -6.956 1.00 0.00 C ATOM 1074 C ALA A 70 1.309 -9.969 -6.783 1.00 0.00 C ATOM 1075 O ALA A 70 1.554 -8.956 -7.436 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.221 -9.748 -6.923 1.00 0.00 C ATOM 0 H ALA A 70 -0.692 -11.381 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.013 -11.176 -7.937 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.114 -9.002 -7.710 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.140 -10.313 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.263 -9.250 -5.954 1.00 0.00 H new ATOM 1082 N ASN A 71 2.134 -10.511 -5.899 1.00 0.00 N ATOM 1083 CA ASN A 71 3.435 -9.923 -5.632 1.00 0.00 C ATOM 1084 C ASN A 71 3.288 -8.405 -5.504 1.00 0.00 C ATOM 1085 O ASN A 71 3.813 -7.656 -6.325 1.00 0.00 O ATOM 1086 CB ASN A 71 4.414 -10.208 -6.773 1.00 0.00 C ATOM 1087 CG ASN A 71 5.840 -10.369 -6.244 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.070 -10.701 -5.093 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.783 -10.116 -7.147 1.00 0.00 N ATOM 0 H ASN A 71 1.926 -11.351 -5.359 1.00 0.00 H new ATOM 0 HA ASN A 71 3.819 -10.360 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.112 -11.114 -7.298 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.381 -9.394 -7.497 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.767 -10.196 -6.892 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.522 -9.842 -8.094 1.00 0.00 H new ATOM 1096 N ILE A 72 2.570 -7.998 -4.467 1.00 0.00 N ATOM 1097 CA ILE A 72 2.347 -6.583 -4.221 1.00 0.00 C ATOM 1098 C ILE A 72 3.157 -6.149 -2.998 1.00 0.00 C ATOM 1099 O ILE A 72 2.757 -6.403 -1.862 1.00 0.00 O ATOM 1100 CB ILE A 72 0.850 -6.290 -4.104 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.086 -6.845 -5.308 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.599 -4.794 -3.905 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.407 -6.972 -4.999 1.00 0.00 C ATOM 0 H ILE A 72 2.135 -8.623 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 72 2.700 -5.989 -5.064 1.00 0.00 H new ATOM 0 HB ILE A 72 0.470 -6.801 -3.219 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.229 -6.190 -6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.489 -7.820 -5.581 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.473 -4.612 -3.825 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.093 -4.460 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.998 -4.242 -4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.927 -7.369 -5.871 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.548 -7.647 -4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.812 -5.991 -4.751 1.00 0.00 H new ATOM 1115 N ARG A 73 4.280 -5.501 -3.271 1.00 0.00 N ATOM 1116 CA ARG A 73 5.149 -5.029 -2.207 1.00 0.00 C ATOM 1117 C ARG A 73 4.320 -4.412 -1.079 1.00 0.00 C ATOM 1118 O ARG A 73 3.489 -3.538 -1.321 1.00 0.00 O ATOM 1119 CB ARG A 73 6.143 -3.989 -2.728 1.00 0.00 C ATOM 1120 CG ARG A 73 5.452 -2.646 -2.975 1.00 0.00 C ATOM 1121 CD ARG A 73 6.370 -1.690 -3.740 1.00 0.00 C ATOM 1122 NE ARG A 73 6.470 -2.108 -5.156 1.00 0.00 N ATOM 1123 CZ ARG A 73 5.560 -1.811 -6.093 1.00 0.00 C ATOM 1124 NH1 ARG A 73 4.476 -1.093 -5.770 1.00 0.00 N ATOM 1125 NH2 ARG A 73 5.734 -2.233 -7.353 1.00 0.00 N ATOM 0 H ARG A 73 4.608 -5.292 -4.214 1.00 0.00 H new ATOM 0 HA ARG A 73 5.704 -5.887 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.951 -3.860 -2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.596 -4.345 -3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.533 -2.804 -3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.167 -2.199 -2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.982 -0.673 -3.679 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.360 -1.681 -3.284 1.00 0.00 H new ATOM 0 HE ARG A 73 7.283 -2.657 -5.436 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.344 -0.773 -4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.783 -0.867 -6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.559 -2.780 -7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.041 -2.007 -8.067 1.00 0.00 H new ATOM 1139 N VAL A 74 4.575 -4.890 0.130 1.00 0.00 N ATOM 1140 CA VAL A 74 3.862 -4.396 1.296 1.00 0.00 C ATOM 1141 C VAL A 74 4.752 -3.407 2.051 1.00 0.00 C ATOM 1142 O VAL A 74 5.890 -3.726 2.392 1.00 0.00 O ATOM 1143 CB VAL A 74 3.402 -5.570 2.164 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.346 -5.122 3.177 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.881 -6.719 1.300 1.00 0.00 C ATOM 0 H VAL A 74 5.266 -5.614 0.328 1.00 0.00 H new ATOM 0 HA VAL A 74 2.962 -3.859 0.995 1.00 0.00 H new ATOM 0 HB VAL A 74 4.266 -5.935 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.036 -5.975 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.766 -4.352 3.824 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.482 -4.719 2.648 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.561 -7.540 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.036 -6.373 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.674 -7.065 0.637 1.00 0.00 H new ATOM 1155 N VAL A 75 4.200 -2.227 2.290 1.00 0.00 N ATOM 1156 CA VAL A 75 4.929 -1.189 2.999 1.00 0.00 C ATOM 1157 C VAL A 75 4.122 -0.747 4.221 1.00 0.00 C ATOM 1158 O VAL A 75 2.988 -1.185 4.412 1.00 0.00 O ATOM 1159 CB VAL A 75 5.253 -0.035 2.048 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.117 -0.513 0.879 1.00 0.00 C ATOM 1161 CG2 VAL A 75 3.974 0.637 1.545 1.00 0.00 C ATOM 0 H VAL A 75 3.256 -1.966 2.005 1.00 0.00 H new ATOM 0 HA VAL A 75 5.883 -1.573 3.361 1.00 0.00 H new ATOM 0 HB VAL A 75 5.825 0.707 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.333 0.327 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.052 -0.923 1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.583 -1.284 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.233 1.454 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.364 -0.093 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.412 1.030 2.392 1.00 0.00 H new ATOM 1171 N SER A 76 4.738 0.114 5.017 1.00 0.00 N ATOM 1172 CA SER A 76 4.090 0.619 6.216 1.00 0.00 C ATOM 1173 C SER A 76 3.339 1.914 5.899 1.00 0.00 C ATOM 1174 O SER A 76 3.413 2.421 4.781 1.00 0.00 O ATOM 1175 CB SER A 76 5.108 0.856 7.334 1.00 0.00 C ATOM 1176 OG SER A 76 5.420 2.238 7.487 1.00 0.00 O ATOM 0 H SER A 76 5.678 0.475 4.856 1.00 0.00 H new ATOM 0 HA SER A 76 3.379 -0.131 6.562 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.713 0.467 8.273 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.020 0.300 7.118 1.00 0.00 H new ATOM 0 HG SER A 76 5.382 2.479 8.436 1.00 0.00 H new ATOM 1182 N GLU A 77 2.633 2.412 6.903 1.00 0.00 N ATOM 1183 CA GLU A 77 1.869 3.638 6.746 1.00 0.00 C ATOM 1184 C GLU A 77 2.810 4.832 6.579 1.00 0.00 C ATOM 1185 O GLU A 77 2.479 5.797 5.892 1.00 0.00 O ATOM 1186 CB GLU A 77 0.919 3.848 7.927 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.375 4.526 7.475 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.294 6.043 7.663 1.00 0.00 C ATOM 1189 OE1 GLU A 77 0.005 6.458 8.803 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -0.533 6.752 6.662 1.00 0.00 O ATOM 0 H GLU A 77 2.574 1.989 7.829 1.00 0.00 H new ATOM 0 HA GLU A 77 1.261 3.551 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.689 2.888 8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.407 4.458 8.687 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.563 4.295 6.426 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.216 4.130 8.045 1.00 0.00 H new ATOM 1197 N ASP A 78 3.965 4.728 7.220 1.00 0.00 N ATOM 1198 CA ASP A 78 4.957 5.788 7.152 1.00 0.00 C ATOM 1199 C ASP A 78 5.203 6.157 5.688 1.00 0.00 C ATOM 1200 O ASP A 78 5.346 7.333 5.356 1.00 0.00 O ATOM 1201 CB ASP A 78 6.288 5.336 7.756 1.00 0.00 C ATOM 1202 CG ASP A 78 6.225 4.929 9.229 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.464 3.982 9.524 1.00 0.00 O ATOM 1204 OD2 ASP A 78 6.939 5.574 10.027 1.00 0.00 O ATOM 0 H ASP A 78 4.236 3.926 7.789 1.00 0.00 H new ATOM 0 HA ASP A 78 4.578 6.642 7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.664 4.492 7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.011 6.144 7.649 1.00 0.00 H new ATOM 1209 N PHE A 79 5.244 5.131 4.851 1.00 0.00 N ATOM 1210 CA PHE A 79 5.470 5.333 3.430 1.00 0.00 C ATOM 1211 C PHE A 79 4.773 6.603 2.939 1.00 0.00 C ATOM 1212 O PHE A 79 5.406 7.471 2.340 1.00 0.00 O ATOM 1213 CB PHE A 79 4.871 4.125 2.706 1.00 0.00 C ATOM 1214 CG PHE A 79 4.585 4.367 1.223 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.611 4.602 0.361 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.304 4.349 0.765 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.345 4.827 -1.015 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.038 4.574 -0.611 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.065 4.808 -1.472 1.00 0.00 C ATOM 0 H PHE A 79 5.125 4.157 5.130 1.00 0.00 H new ATOM 0 HA PHE A 79 6.537 5.437 3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.555 3.282 2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.943 3.840 3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.628 4.617 0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.489 4.163 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.160 5.013 -1.699 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.021 4.559 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.863 4.979 -2.519 1.00 0.00 H new ATOM 1229 N LEU A 80 3.478 6.672 3.210 1.00 0.00 N ATOM 1230 CA LEU A 80 2.688 7.822 2.803 1.00 0.00 C ATOM 1231 C LEU A 80 3.328 9.096 3.357 1.00 0.00 C ATOM 1232 O LEU A 80 3.513 10.070 2.628 1.00 0.00 O ATOM 1233 CB LEU A 80 1.226 7.639 3.214 1.00 0.00 C ATOM 1234 CG LEU A 80 0.488 6.465 2.567 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.669 5.992 3.448 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.024 6.822 1.153 1.00 0.00 C ATOM 0 H LEU A 80 2.956 5.950 3.707 1.00 0.00 H new ATOM 0 HA LEU A 80 2.681 7.915 1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.187 7.515 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.686 8.556 2.978 1.00 0.00 H new ATOM 0 HG LEU A 80 1.184 5.631 2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.177 5.157 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.282 5.671 4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.374 6.810 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.498 5.971 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.650 7.677 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.889 7.072 0.539 1.00 0.00 H new ATOM 1248 N GLN A 81 3.649 9.049 4.642 1.00 0.00 N ATOM 1249 CA GLN A 81 4.264 10.188 5.302 1.00 0.00 C ATOM 1250 C GLN A 81 5.566 10.571 4.596 1.00 0.00 C ATOM 1251 O GLN A 81 6.038 11.700 4.725 1.00 0.00 O ATOM 1252 CB GLN A 81 4.509 9.897 6.784 1.00 0.00 C ATOM 1253 CG GLN A 81 5.575 10.832 7.357 1.00 0.00 C ATOM 1254 CD GLN A 81 5.103 12.287 7.323 1.00 0.00 C ATOM 1255 OE1 GLN A 81 4.495 12.748 6.371 1.00 0.00 O ATOM 1256 NE2 GLN A 81 5.416 12.983 8.413 1.00 0.00 N ATOM 0 H GLN A 81 3.495 8.240 5.243 1.00 0.00 H new ATOM 0 HA GLN A 81 3.578 11.033 5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.579 10.016 7.340 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.824 8.861 6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.803 10.544 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.497 10.732 6.785 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.927 12.536 9.174 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.145 13.964 8.487 1.00 0.00 H new ATOM 1265 N ASP A 82 6.110 9.610 3.864 1.00 0.00 N ATOM 1266 CA ASP A 82 7.348 9.832 3.137 1.00 0.00 C ATOM 1267 C ASP A 82 7.023 10.259 1.704 1.00 0.00 C ATOM 1268 O ASP A 82 7.433 11.332 1.264 1.00 0.00 O ATOM 1269 CB ASP A 82 8.185 8.553 3.071 1.00 0.00 C ATOM 1270 CG ASP A 82 9.336 8.481 4.077 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.030 8.322 5.278 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.495 8.587 3.621 1.00 0.00 O ATOM 0 H ASP A 82 5.716 8.675 3.759 1.00 0.00 H new ATOM 0 HA ASP A 82 7.912 10.605 3.659 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.528 7.698 3.231 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.595 8.456 2.066 1.00 0.00 H new ATOM 1277 N VAL A 83 6.290 9.397 1.015 1.00 0.00 N ATOM 1278 CA VAL A 83 5.906 9.671 -0.359 1.00 0.00 C ATOM 1279 C VAL A 83 5.348 11.093 -0.454 1.00 0.00 C ATOM 1280 O VAL A 83 5.569 11.785 -1.447 1.00 0.00 O ATOM 1281 CB VAL A 83 4.920 8.608 -0.849 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.480 8.997 -0.509 1.00 0.00 C ATOM 1283 CG2 VAL A 83 5.082 8.361 -2.351 1.00 0.00 C ATOM 0 H VAL A 83 5.952 8.508 1.383 1.00 0.00 H new ATOM 0 HA VAL A 83 6.774 9.617 -1.016 1.00 0.00 H new ATOM 0 HB VAL A 83 5.146 7.677 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.800 8.225 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.376 9.098 0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.237 9.946 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.370 7.602 -2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.896 9.287 -2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.096 8.018 -2.556 1.00 0.00 H new ATOM 1293 N SER A 84 4.636 11.486 0.592 1.00 0.00 N ATOM 1294 CA SER A 84 4.045 12.812 0.639 1.00 0.00 C ATOM 1295 C SER A 84 5.107 13.845 1.019 1.00 0.00 C ATOM 1296 O SER A 84 5.053 14.990 0.571 1.00 0.00 O ATOM 1297 CB SER A 84 2.879 12.861 1.628 1.00 0.00 C ATOM 1298 OG SER A 84 3.263 13.427 2.878 1.00 0.00 O ATOM 0 H SER A 84 4.455 10.909 1.413 1.00 0.00 H new ATOM 0 HA SER A 84 3.656 13.048 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.065 13.446 1.200 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.497 11.853 1.789 1.00 0.00 H new ATOM 0 HG SER A 84 3.548 12.714 3.486 1.00 0.00 H new ATOM 1304 N ALA A 85 6.049 13.404 1.840 1.00 0.00 N ATOM 1305 CA ALA A 85 7.122 14.277 2.285 1.00 0.00 C ATOM 1306 C ALA A 85 8.463 13.561 2.106 1.00 0.00 C ATOM 1307 O ALA A 85 9.109 13.190 3.084 1.00 0.00 O ATOM 1308 CB ALA A 85 6.873 14.693 3.736 1.00 0.00 C ATOM 0 H ALA A 85 6.091 12.454 2.209 1.00 0.00 H new ATOM 0 HA ALA A 85 7.151 15.187 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.678 15.348 4.070 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.922 15.222 3.805 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.841 13.806 4.368 1.00 0.00 H new ATOM 1314 N SER A 86 8.841 13.389 0.848 1.00 0.00 N ATOM 1315 CA SER A 86 10.093 12.724 0.527 1.00 0.00 C ATOM 1316 C SER A 86 10.291 12.686 -0.990 1.00 0.00 C ATOM 1317 O SER A 86 9.518 12.051 -1.705 1.00 0.00 O ATOM 1318 CB SER A 86 10.128 11.307 1.103 1.00 0.00 C ATOM 1319 OG SER A 86 11.453 10.895 1.428 1.00 0.00 O ATOM 0 H SER A 86 8.303 13.698 0.039 1.00 0.00 H new ATOM 0 HA SER A 86 10.907 13.290 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.505 11.264 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.699 10.612 0.381 1.00 0.00 H new ATOM 0 HG SER A 86 11.418 10.159 2.074 1.00 0.00 H new ATOM 1325 N THR A 87 11.333 13.373 -1.436 1.00 0.00 N ATOM 1326 CA THR A 87 11.643 13.426 -2.854 1.00 0.00 C ATOM 1327 C THR A 87 12.537 12.249 -3.248 1.00 0.00 C ATOM 1328 O THR A 87 13.529 12.427 -3.953 1.00 0.00 O ATOM 1329 CB THR A 87 12.268 14.790 -3.151 1.00 0.00 C ATOM 1330 OG1 THR A 87 12.271 14.868 -4.574 1.00 0.00 O ATOM 1331 CG2 THR A 87 13.749 14.851 -2.771 1.00 0.00 C ATOM 0 H THR A 87 11.973 13.898 -0.840 1.00 0.00 H new ATOM 0 HA THR A 87 10.742 13.327 -3.460 1.00 0.00 H new ATOM 0 HB THR A 87 11.723 15.564 -2.611 1.00 0.00 H new ATOM 0 HG1 THR A 87 12.744 14.093 -4.943 1.00 0.00 H new ATOM 0 HG21 THR A 87 14.144 15.840 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 87 13.859 14.657 -1.704 1.00 0.00 H new ATOM 0 HG23 THR A 87 14.301 14.099 -3.335 1.00 0.00 H new ATOM 1339 N LYS A 88 12.153 11.071 -2.777 1.00 0.00 N ATOM 1340 CA LYS A 88 12.908 9.865 -3.071 1.00 0.00 C ATOM 1341 C LYS A 88 12.162 9.047 -4.127 1.00 0.00 C ATOM 1342 O LYS A 88 10.968 9.250 -4.345 1.00 0.00 O ATOM 1343 CB LYS A 88 13.200 9.089 -1.785 1.00 0.00 C ATOM 1344 CG LYS A 88 13.986 9.948 -0.793 1.00 0.00 C ATOM 1345 CD LYS A 88 15.361 9.340 -0.511 1.00 0.00 C ATOM 1346 CE LYS A 88 15.420 8.747 0.899 1.00 0.00 C ATOM 1347 NZ LYS A 88 16.755 8.968 1.498 1.00 0.00 N ATOM 0 H LYS A 88 11.329 10.927 -2.194 1.00 0.00 H new ATOM 0 HA LYS A 88 13.881 10.117 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.263 8.767 -1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.767 8.188 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.105 10.955 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.427 10.039 0.138 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.577 8.564 -1.245 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.130 10.105 -0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 88 14.654 9.205 1.525 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.204 7.679 0.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 16.778 8.560 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.480 8.511 0.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.946 9.989 1.553 1.00 0.00 H new ATOM 1361 N SER A 89 12.896 8.141 -4.755 1.00 0.00 N ATOM 1362 CA SER A 89 12.319 7.291 -5.783 1.00 0.00 C ATOM 1363 C SER A 89 11.234 6.399 -5.177 1.00 0.00 C ATOM 1364 O SER A 89 11.409 5.856 -4.088 1.00 0.00 O ATOM 1365 CB SER A 89 13.393 6.436 -6.458 1.00 0.00 C ATOM 1366 OG SER A 89 14.572 7.185 -6.741 1.00 0.00 O ATOM 0 H SER A 89 13.886 7.977 -4.572 1.00 0.00 H new ATOM 0 HA SER A 89 11.871 7.931 -6.543 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.644 5.594 -5.813 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.996 6.020 -7.384 1.00 0.00 H new ATOM 0 HG SER A 89 15.234 6.603 -7.170 1.00 0.00 H new ATOM 1372 N LEU A 90 10.136 6.277 -5.909 1.00 0.00 N ATOM 1373 CA LEU A 90 9.023 5.461 -5.457 1.00 0.00 C ATOM 1374 C LEU A 90 9.547 4.098 -5.000 1.00 0.00 C ATOM 1375 O LEU A 90 9.321 3.692 -3.861 1.00 0.00 O ATOM 1376 CB LEU A 90 7.947 5.373 -6.542 1.00 0.00 C ATOM 1377 CG LEU A 90 6.661 6.158 -6.276 1.00 0.00 C ATOM 1378 CD1 LEU A 90 6.556 7.369 -7.205 1.00 0.00 C ATOM 1379 CD2 LEU A 90 5.434 5.250 -6.377 1.00 0.00 C ATOM 0 H LEU A 90 9.994 6.730 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 90 8.539 5.922 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.376 5.724 -7.481 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.686 4.324 -6.683 1.00 0.00 H new ATOM 0 HG LEU A 90 6.697 6.538 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.633 7.910 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.408 8.029 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.552 7.033 -8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.533 5.833 -6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.381 4.820 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.513 4.449 -5.642 1.00 0.00 H new ATOM 1391 N GLN A 91 10.238 3.430 -5.912 1.00 0.00 N ATOM 1392 CA GLN A 91 10.797 2.121 -5.617 1.00 0.00 C ATOM 1393 C GLN A 91 11.588 2.165 -4.308 1.00 0.00 C ATOM 1394 O GLN A 91 11.397 1.320 -3.434 1.00 0.00 O ATOM 1395 CB GLN A 91 11.672 1.626 -6.770 1.00 0.00 C ATOM 1396 CG GLN A 91 10.903 0.648 -7.660 1.00 0.00 C ATOM 1397 CD GLN A 91 9.838 1.376 -8.483 1.00 0.00 C ATOM 1398 OE1 GLN A 91 10.030 2.486 -8.951 1.00 0.00 O ATOM 1399 NE2 GLN A 91 8.708 0.691 -8.633 1.00 0.00 N ATOM 0 H GLN A 91 10.424 3.770 -6.855 1.00 0.00 H new ATOM 0 HA GLN A 91 9.975 1.415 -5.499 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.011 2.475 -7.364 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.562 1.139 -6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.596 0.136 -8.327 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.431 -0.117 -7.043 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.613 -0.234 -8.215 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.936 1.091 -9.167 1.00 0.00 H new ATOM 1408 N GLU A 92 12.460 3.158 -4.213 1.00 0.00 N ATOM 1409 CA GLU A 92 13.280 3.323 -3.025 1.00 0.00 C ATOM 1410 C GLU A 92 12.396 3.485 -1.787 1.00 0.00 C ATOM 1411 O GLU A 92 12.590 2.796 -0.787 1.00 0.00 O ATOM 1412 CB GLU A 92 14.234 4.510 -3.178 1.00 0.00 C ATOM 1413 CG GLU A 92 15.263 4.249 -4.280 1.00 0.00 C ATOM 1414 CD GLU A 92 16.607 3.823 -3.685 1.00 0.00 C ATOM 1415 OE1 GLU A 92 16.644 2.719 -3.100 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.566 4.612 -3.828 1.00 0.00 O ATOM 0 H GLU A 92 12.616 3.857 -4.940 1.00 0.00 H new ATOM 0 HA GLU A 92 13.886 2.426 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.665 5.410 -3.412 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.746 4.693 -2.233 1.00 0.00 H new ATOM 0 HG2 GLU A 92 14.895 3.472 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.396 5.150 -4.879 1.00 0.00 H new ATOM 1423 N LEU A 93 11.444 4.401 -1.895 1.00 0.00 N ATOM 1424 CA LEU A 93 10.530 4.662 -0.797 1.00 0.00 C ATOM 1425 C LEU A 93 10.001 3.334 -0.252 1.00 0.00 C ATOM 1426 O LEU A 93 10.014 3.105 0.956 1.00 0.00 O ATOM 1427 CB LEU A 93 9.429 5.630 -1.235 1.00 0.00 C ATOM 1428 CG LEU A 93 9.825 7.106 -1.314 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.628 7.975 -1.704 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.469 7.571 -0.006 1.00 0.00 C ATOM 0 H LEU A 93 11.286 4.971 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 93 11.051 5.158 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.068 5.318 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.593 5.535 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 93 10.573 7.218 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.937 9.019 -1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.253 7.662 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.840 7.864 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.741 8.623 -0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.762 7.442 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.363 6.979 0.190 1.00 0.00 H new ATOM 1442 N PHE A 94 9.547 2.494 -1.170 1.00 0.00 N ATOM 1443 CA PHE A 94 9.014 1.194 -0.797 1.00 0.00 C ATOM 1444 C PHE A 94 10.031 0.399 0.023 1.00 0.00 C ATOM 1445 O PHE A 94 9.720 -0.073 1.116 1.00 0.00 O ATOM 1446 CB PHE A 94 8.724 0.440 -2.097 1.00 0.00 C ATOM 1447 CG PHE A 94 7.717 1.141 -3.011 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.778 1.969 -2.480 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.760 0.935 -4.355 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.843 2.620 -3.329 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.826 1.585 -5.203 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.887 2.414 -4.673 1.00 0.00 C ATOM 0 H PHE A 94 9.537 2.688 -2.171 1.00 0.00 H new ATOM 0 HA PHE A 94 8.117 1.320 -0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.658 0.302 -2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.347 -0.553 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.743 2.132 -1.413 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.505 0.277 -4.777 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.098 3.278 -2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.861 1.421 -6.270 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.177 2.909 -5.319 1.00 0.00 H new ATOM 1462 N LEU A 95 11.227 0.276 -0.535 1.00 0.00 N ATOM 1463 CA LEU A 95 12.292 -0.454 0.132 1.00 0.00 C ATOM 1464 C LEU A 95 12.610 0.223 1.467 1.00 0.00 C ATOM 1465 O LEU A 95 12.952 -0.447 2.440 1.00 0.00 O ATOM 1466 CB LEU A 95 13.504 -0.594 -0.791 1.00 0.00 C ATOM 1467 CG LEU A 95 13.411 -1.685 -1.860 1.00 0.00 C ATOM 1468 CD1 LEU A 95 13.825 -3.045 -1.293 1.00 0.00 C ATOM 1469 CD2 LEU A 95 12.014 -1.725 -2.482 1.00 0.00 C ATOM 0 H LEU A 95 11.482 0.669 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 95 11.973 -1.471 0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.669 0.362 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.383 -0.789 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 95 14.112 -1.442 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.750 -3.803 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.854 -2.993 -0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 95 13.167 -3.310 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.975 -2.509 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.276 -1.932 -1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 95 11.794 -0.763 -2.945 1.00 0.00 H new ATOM 1481 N ALA A 96 12.487 1.542 1.469 1.00 0.00 N ATOM 1482 CA ALA A 96 12.757 2.317 2.668 1.00 0.00 C ATOM 1483 C ALA A 96 11.624 2.103 3.674 1.00 0.00 C ATOM 1484 O ALA A 96 11.715 2.542 4.819 1.00 0.00 O ATOM 1485 CB ALA A 96 12.936 3.790 2.295 1.00 0.00 C ATOM 0 H ALA A 96 12.204 2.094 0.659 1.00 0.00 H new ATOM 0 HA ALA A 96 13.683 1.986 3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.139 4.371 3.195 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.771 3.891 1.602 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.026 4.159 1.822 1.00 0.00 H new ATOM 1491 N HIS A 97 10.582 1.430 3.209 1.00 0.00 N ATOM 1492 CA HIS A 97 9.432 1.153 4.054 1.00 0.00 C ATOM 1493 C HIS A 97 8.778 -0.159 3.616 1.00 0.00 C ATOM 1494 O HIS A 97 7.553 -0.262 3.573 1.00 0.00 O ATOM 1495 CB HIS A 97 8.458 2.332 4.048 1.00 0.00 C ATOM 1496 CG HIS A 97 9.091 3.654 4.411 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.352 4.027 5.718 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.514 4.685 3.624 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.905 5.231 5.707 1.00 0.00 C ATOM 1500 NE2 HIS A 97 10.005 5.637 4.408 1.00 0.00 N ATOM 0 H HIS A 97 10.510 1.068 2.258 1.00 0.00 H new ATOM 0 HA HIS A 97 9.756 1.030 5.087 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.010 2.415 3.058 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.648 2.124 4.747 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.153 3.470 6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.459 4.721 2.546 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.221 5.792 6.574 1.00 0.00 H new ATOM 1508 N ILE A 98 9.624 -1.129 3.303 1.00 0.00 N ATOM 1509 CA ILE A 98 9.143 -2.430 2.870 1.00 0.00 C ATOM 1510 C ILE A 98 9.026 -3.355 4.083 1.00 0.00 C ATOM 1511 O ILE A 98 10.006 -3.585 4.790 1.00 0.00 O ATOM 1512 CB ILE A 98 10.033 -2.987 1.756 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.345 -4.147 1.034 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.407 -3.384 2.299 1.00 0.00 C ATOM 1515 CD1 ILE A 98 8.931 -3.743 -0.382 1.00 0.00 C ATOM 0 H ILE A 98 10.639 -1.040 3.341 1.00 0.00 H new ATOM 0 HA ILE A 98 8.146 -2.343 2.437 1.00 0.00 H new ATOM 0 HB ILE A 98 10.193 -2.199 1.020 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.018 -5.003 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.467 -4.461 1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.019 -3.777 1.487 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.894 -2.510 2.731 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.288 -4.149 3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.444 -4.586 -0.873 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.239 -2.902 -0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.815 -3.453 -0.950 1.00 0.00 H new ATOM 1527 N LEU A 99 7.818 -3.861 4.288 1.00 0.00 N ATOM 1528 CA LEU A 99 7.560 -4.755 5.403 1.00 0.00 C ATOM 1529 C LEU A 99 7.618 -6.204 4.914 1.00 0.00 C ATOM 1530 O LEU A 99 7.762 -7.127 5.713 1.00 0.00 O ATOM 1531 CB LEU A 99 6.242 -4.390 6.089 1.00 0.00 C ATOM 1532 CG LEU A 99 6.150 -2.971 6.654 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.807 -2.744 7.349 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.332 -2.673 7.579 1.00 0.00 C ATOM 0 H LEU A 99 7.007 -3.668 3.700 1.00 0.00 H new ATOM 0 HA LEU A 99 8.331 -4.644 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.432 -4.528 5.372 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.071 -5.095 6.902 1.00 0.00 H new ATOM 0 HG LEU A 99 6.205 -2.267 5.823 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.768 -1.728 7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.998 -2.888 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.697 -3.454 8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.243 -1.658 7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.332 -3.380 8.408 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.264 -2.768 7.021 1.00 0.00 H new ATOM 1546 N SER A 100 7.504 -6.357 3.602 1.00 0.00 N ATOM 1547 CA SER A 100 7.542 -7.677 2.997 1.00 0.00 C ATOM 1548 C SER A 100 8.861 -7.871 2.246 1.00 0.00 C ATOM 1549 O SER A 100 9.580 -6.907 1.988 1.00 0.00 O ATOM 1550 CB SER A 100 6.357 -7.883 2.051 1.00 0.00 C ATOM 1551 OG SER A 100 6.768 -8.387 0.783 1.00 0.00 O ATOM 0 H SER A 100 7.385 -5.588 2.942 1.00 0.00 H new ATOM 0 HA SER A 100 7.472 -8.420 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.648 -8.576 2.504 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.834 -6.936 1.913 1.00 0.00 H new ATOM 0 HG SER A 100 6.157 -9.099 0.500 1.00 0.00 H new ATOM 1557 N SER A 101 9.139 -9.124 1.917 1.00 0.00 N ATOM 1558 CA SER A 101 10.358 -9.456 1.201 1.00 0.00 C ATOM 1559 C SER A 101 10.057 -9.646 -0.287 1.00 0.00 C ATOM 1560 O SER A 101 10.967 -9.852 -1.088 1.00 0.00 O ATOM 1561 CB SER A 101 11.008 -10.717 1.775 1.00 0.00 C ATOM 1562 OG SER A 101 12.431 -10.635 1.767 1.00 0.00 O ATOM 0 H SER A 101 8.541 -9.921 2.133 1.00 0.00 H new ATOM 0 HA SER A 101 11.060 -8.630 1.321 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.660 -10.872 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.692 -11.584 1.195 1.00 0.00 H new ATOM 0 HG SER A 101 12.808 -11.458 2.142 1.00 0.00 H new ATOM 1568 N TRP A 102 8.775 -9.569 -0.613 1.00 0.00 N ATOM 1569 CA TRP A 102 8.341 -9.729 -1.990 1.00 0.00 C ATOM 1570 C TRP A 102 7.997 -8.344 -2.542 1.00 0.00 C ATOM 1571 O TRP A 102 8.390 -7.329 -1.969 1.00 0.00 O ATOM 1572 CB TRP A 102 7.177 -10.717 -2.087 1.00 0.00 C ATOM 1573 CG TRP A 102 5.865 -10.192 -1.503 1.00 0.00 C ATOM 1574 CD1 TRP A 102 4.929 -9.451 -2.111 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.377 -10.400 -0.160 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.878 -9.167 -1.263 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.159 -9.762 -0.039 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.947 -11.103 0.916 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.408 -9.764 1.142 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.183 -11.096 2.089 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.955 -10.459 2.227 1.00 0.00 C ATOM 0 H TRP A 102 8.022 -9.398 0.054 1.00 0.00 H new ATOM 0 HA TRP A 102 9.138 -10.158 -2.598 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.019 -10.975 -3.134 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.451 -11.637 -1.570 1.00 0.00 H new ATOM 0 HD1 TRP A 102 4.989 -9.118 -3.136 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.048 -8.621 -1.492 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.899 -11.608 0.843 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.457 -9.256 1.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.575 -11.622 2.947 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.425 -10.500 3.167 1.00 0.00 H new ATOM 1592 N GLY A 103 7.268 -8.348 -3.648 1.00 0.00 N ATOM 1593 CA GLY A 103 6.867 -7.104 -4.284 1.00 0.00 C ATOM 1594 C GLY A 103 7.922 -6.636 -5.288 1.00 0.00 C ATOM 1595 O GLY A 103 8.468 -5.542 -5.155 1.00 0.00 O ATOM 0 H GLY A 103 6.945 -9.192 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.913 -7.242 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.716 -6.336 -3.525 1.00 0.00 H new