USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 960 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 79 HIS : no HD1:sc= -5.31! K(o=-6.5!,f=-2.5) USER MOD Set 1.2: A 81 THR OG1 : rot -165:sc= -1.18 USER MOD Set 2.1: A 45 THR OG1 : rot -150:sc= -1.26 USER MOD Set 2.2: A 48 GLN : amide:sc= -0.161 X(o=-1.4,f=-1.2) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.5!) USER MOD Single : A 13 ASN : amide:sc= -10.6! C(o=-11!,f=-10!) USER MOD Single : A 15 ASN : amide:sc= -5.29 X(o=-5.3,f=-5.2!) USER MOD Single : A 16 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.031) USER MOD Single : A 21 THR OG1 : rot -0:sc= 1.08 USER MOD Single : A 31 ASN : amide:sc= 0.356 X(o=0.36,f=0.05) USER MOD Single : A 32 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 42 MET CE :methyl -115:sc= -1.62 (180deg=-6.28!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 63 GLN : amide:sc= -1.4 K(o=-1.4,f=-4.4!) USER MOD Single : A 64 HIS : no HE2:sc= -17.2! C(o=-17!,f=-16!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.0599 USER MOD Single : A 70 LYS NZ :NH3+ 167:sc=-0.00311 (180deg=-0.113) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0142) USER MOD Single : A 100 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.045) USER MOD Single : A 105 MET CE :methyl -164:sc= -2.11 (180deg=-2.89) USER MOD Single : A 106 SER OG : rot 180:sc= -0.124 USER MOD Single : A 111 ASN : amide:sc= -2.32 K(o=-2.3,f=-0.76) USER MOD Single : A 119 ASN : amide:sc= -3.19! C(o=-3.2!,f=-7.9!) USER MOD Single : A 125 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.171) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -5.658 -19.050 -0.820 1.00 0.00 N ATOM 43 CA LYS A 3 -4.929 -17.921 -0.254 1.00 0.00 C ATOM 44 C LYS A 3 -5.113 -16.674 -1.111 1.00 0.00 C ATOM 45 O LYS A 3 -5.433 -16.767 -2.296 1.00 0.00 O ATOM 46 CB LYS A 3 -3.441 -18.256 -0.134 1.00 0.00 C ATOM 47 CG LYS A 3 -2.764 -18.504 -1.472 1.00 0.00 C ATOM 48 CD LYS A 3 -1.527 -19.376 -1.319 1.00 0.00 C ATOM 49 CE LYS A 3 -1.515 -20.508 -2.333 1.00 0.00 C ATOM 50 NZ LYS A 3 -0.230 -21.260 -2.310 1.00 0.00 N ATOM 0 HA LYS A 3 -5.330 -17.721 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.933 -17.437 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.326 -19.141 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.467 -18.984 -2.153 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.485 -17.551 -1.922 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.633 -18.766 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.494 -19.789 -0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.339 -21.191 -2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.681 -20.103 -3.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.262 -22.023 -3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.554 -20.614 -2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.084 -21.668 -1.365 1.00 0.00 H new ATOM 64 N LEU A 4 -4.901 -15.507 -0.511 1.00 0.00 N ATOM 65 CA LEU A 4 -5.034 -14.243 -1.227 1.00 0.00 C ATOM 66 C LEU A 4 -4.030 -13.222 -0.697 1.00 0.00 C ATOM 67 O LEU A 4 -4.035 -12.899 0.491 1.00 0.00 O ATOM 68 CB LEU A 4 -6.461 -13.706 -1.091 1.00 0.00 C ATOM 69 CG LEU A 4 -6.844 -13.222 0.308 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.518 -11.745 0.469 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.320 -13.476 0.575 1.00 0.00 C ATOM 0 H LEU A 4 -4.636 -15.410 0.469 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.825 -14.417 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.590 -12.881 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.157 -14.490 -1.390 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.262 -13.784 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.797 -11.418 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.449 -11.590 0.321 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.074 -11.167 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -8.574 -13.125 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.920 -12.941 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.524 -14.544 0.502 1.00 0.00 H new ATOM 83 N GLN A 5 -3.150 -12.734 -1.569 1.00 0.00 N ATOM 84 CA GLN A 5 -2.127 -11.778 -1.168 1.00 0.00 C ATOM 85 C GLN A 5 -2.474 -10.348 -1.571 1.00 0.00 C ATOM 86 O GLN A 5 -3.211 -10.110 -2.527 1.00 0.00 O ATOM 87 CB GLN A 5 -0.796 -12.159 -1.806 1.00 0.00 C ATOM 88 CG GLN A 5 -0.412 -13.605 -1.565 1.00 0.00 C ATOM 89 CD GLN A 5 1.041 -13.889 -1.889 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.860 -12.973 -1.979 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.370 -15.163 -2.067 1.00 0.00 N ATOM 0 H GLN A 5 -3.127 -12.986 -2.557 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.063 -11.813 -0.080 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.850 -11.978 -2.880 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.013 -11.511 -1.412 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.603 -13.858 -0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.048 -14.251 -2.171 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.659 -15.890 -1.983 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.333 -15.415 -2.288 1.00 0.00 H new ATOM 100 N ILE A 6 -1.912 -9.406 -0.828 1.00 0.00 N ATOM 101 CA ILE A 6 -2.100 -7.984 -1.060 1.00 0.00 C ATOM 102 C ILE A 6 -0.811 -7.263 -0.675 1.00 0.00 C ATOM 103 O ILE A 6 -0.205 -7.596 0.343 1.00 0.00 O ATOM 104 CB ILE A 6 -3.278 -7.423 -0.235 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.602 -8.019 -0.721 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.314 -5.905 -0.317 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.154 -9.089 0.194 1.00 0.00 C ATOM 0 H ILE A 6 -1.304 -9.613 -0.036 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.334 -7.825 -2.113 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.134 -7.706 0.808 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.337 -7.220 -0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.458 -8.441 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.151 -5.529 0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.383 -5.497 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.434 -5.600 -1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.093 -9.466 -0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.437 -9.907 0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.330 -8.666 1.183 1.00 0.00 H new ATOM 119 N ALA A 7 -0.400 -6.257 -1.439 1.00 0.00 N ATOM 120 CA ALA A 7 0.795 -5.496 -1.098 1.00 0.00 C ATOM 121 C ALA A 7 0.429 -4.027 -1.067 1.00 0.00 C ATOM 122 O ALA A 7 -0.369 -3.602 -1.881 1.00 0.00 O ATOM 123 CB ALA A 7 1.907 -5.758 -2.105 1.00 0.00 C ATOM 0 H ALA A 7 -0.872 -5.952 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 7 1.166 -5.804 -0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.790 -5.180 -1.831 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.154 -6.820 -2.106 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.574 -5.462 -3.100 1.00 0.00 H new ATOM 129 N VAL A 8 0.981 -3.243 -0.154 1.00 0.00 N ATOM 130 CA VAL A 8 0.648 -1.824 -0.107 1.00 0.00 C ATOM 131 C VAL A 8 1.862 -1.000 0.295 1.00 0.00 C ATOM 132 O VAL A 8 2.773 -1.503 0.944 1.00 0.00 O ATOM 133 CB VAL A 8 -0.543 -1.536 0.845 1.00 0.00 C ATOM 134 CG1 VAL A 8 -0.865 -2.751 1.704 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.280 -0.317 1.723 1.00 0.00 C ATOM 0 H VAL A 8 1.648 -3.554 0.552 1.00 0.00 H new ATOM 0 HA VAL A 8 0.341 -1.532 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.408 -1.317 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.703 -2.520 2.361 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.128 -3.591 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.006 -3.013 2.305 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.136 -0.147 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.609 -0.490 2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.125 0.559 1.093 1.00 0.00 H new ATOM 145 N GLY A 9 1.881 0.261 -0.111 1.00 0.00 N ATOM 146 CA GLY A 9 3.010 1.104 0.215 1.00 0.00 C ATOM 147 C GLY A 9 2.654 2.561 0.423 1.00 0.00 C ATOM 148 O GLY A 9 1.876 3.141 -0.333 1.00 0.00 O ATOM 0 H GLY A 9 1.144 0.711 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.484 0.724 1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.747 1.032 -0.585 1.00 0.00 H new ATOM 152 N ILE A 10 3.275 3.158 1.432 1.00 0.00 N ATOM 153 CA ILE A 10 3.087 4.564 1.739 1.00 0.00 C ATOM 154 C ILE A 10 4.112 5.355 0.941 1.00 0.00 C ATOM 155 O ILE A 10 5.304 5.111 1.080 1.00 0.00 O ATOM 156 CB ILE A 10 3.278 4.848 3.249 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.084 3.737 3.930 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.934 5.016 3.937 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.414 4.030 5.377 1.00 0.00 C ATOM 0 H ILE A 10 3.922 2.679 2.058 1.00 0.00 H new ATOM 0 HA ILE A 10 2.070 4.855 1.477 1.00 0.00 H new ATOM 0 HB ILE A 10 3.840 5.778 3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.521 2.805 3.876 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.011 3.582 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.090 5.215 4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.397 5.851 3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.349 4.103 3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.985 3.201 5.795 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.004 4.944 5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.491 4.156 5.942 1.00 0.00 H new ATOM 171 N ILE A 11 3.666 6.279 0.090 1.00 0.00 N ATOM 172 CA ILE A 11 4.606 7.042 -0.727 1.00 0.00 C ATOM 173 C ILE A 11 5.200 8.237 0.008 1.00 0.00 C ATOM 174 O ILE A 11 4.525 9.219 0.288 1.00 0.00 O ATOM 175 CB ILE A 11 3.975 7.543 -2.039 1.00 0.00 C ATOM 176 CG1 ILE A 11 2.856 6.603 -2.502 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.053 7.671 -3.109 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.628 6.627 -3.997 1.00 0.00 C ATOM 0 H ILE A 11 2.683 6.513 -0.050 1.00 0.00 H new ATOM 0 HA ILE A 11 5.404 6.336 -0.955 1.00 0.00 H new ATOM 0 HB ILE A 11 3.531 8.523 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.097 5.585 -2.196 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.930 6.877 -1.997 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.604 8.026 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.812 8.380 -2.778 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.515 6.698 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.823 5.939 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.356 7.636 -4.307 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.541 6.324 -4.509 1.00 0.00 H new ATOM 190 N ARG A 12 6.482 8.117 0.302 1.00 0.00 N ATOM 191 CA ARG A 12 7.215 9.164 1.011 1.00 0.00 C ATOM 192 C ARG A 12 7.648 10.262 0.053 1.00 0.00 C ATOM 193 O ARG A 12 7.965 9.992 -1.107 1.00 0.00 O ATOM 194 CB ARG A 12 8.436 8.586 1.718 1.00 0.00 C ATOM 195 CG ARG A 12 8.245 8.434 3.216 1.00 0.00 C ATOM 196 CD ARG A 12 9.017 9.492 3.990 1.00 0.00 C ATOM 197 NE ARG A 12 10.462 9.320 3.861 1.00 0.00 N ATOM 198 CZ ARG A 12 11.152 8.364 4.479 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.534 7.494 5.269 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.464 8.278 4.308 1.00 0.00 N ATOM 0 H ARG A 12 7.045 7.301 0.061 1.00 0.00 H new ATOM 0 HA ARG A 12 6.546 9.592 1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.670 7.612 1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.295 9.231 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.185 8.507 3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.575 7.443 3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.736 10.482 3.630 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.739 9.446 5.043 1.00 0.00 H new ATOM 0 HE ARG A 12 10.972 9.970 3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.525 7.556 5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.068 6.764 5.740 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.944 8.944 3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.993 7.546 4.781 1.00 0.00 H new ATOM 214 N ASN A 13 7.719 11.494 0.561 1.00 0.00 N ATOM 215 CA ASN A 13 8.179 12.625 -0.246 1.00 0.00 C ATOM 216 C ASN A 13 9.221 13.469 0.495 1.00 0.00 C ATOM 217 O ASN A 13 9.676 13.123 1.585 1.00 0.00 O ATOM 218 CB ASN A 13 7.018 13.516 -0.708 1.00 0.00 C ATOM 219 CG ASN A 13 6.029 13.836 0.389 1.00 0.00 C ATOM 220 OD1 ASN A 13 4.867 13.443 0.323 1.00 0.00 O ATOM 221 ND2 ASN A 13 6.481 14.563 1.404 1.00 0.00 N ATOM 0 H ASN A 13 7.466 11.733 1.520 1.00 0.00 H new ATOM 0 HA ASN A 13 8.649 12.193 -1.130 1.00 0.00 H new ATOM 0 HB2 ASN A 13 7.421 14.447 -1.105 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.494 13.021 -1.526 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.855 14.816 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.454 14.869 1.419 1.00 0.00 H new ATOM 228 N GLU A 14 9.575 14.582 -0.135 1.00 0.00 N ATOM 229 CA GLU A 14 10.548 15.527 0.395 1.00 0.00 C ATOM 230 C GLU A 14 10.223 15.943 1.823 1.00 0.00 C ATOM 231 O GLU A 14 11.059 15.867 2.723 1.00 0.00 O ATOM 232 CB GLU A 14 10.575 16.767 -0.500 1.00 0.00 C ATOM 233 CG GLU A 14 11.512 17.861 -0.010 1.00 0.00 C ATOM 234 CD GLU A 14 12.973 17.494 -0.174 1.00 0.00 C ATOM 235 OE1 GLU A 14 13.425 17.354 -1.330 1.00 0.00 O ATOM 236 OE2 GLU A 14 13.667 17.347 0.854 1.00 0.00 O ATOM 0 H GLU A 14 9.190 14.856 -1.039 1.00 0.00 H new ATOM 0 HA GLU A 14 11.521 15.037 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.873 16.471 -1.506 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.566 17.172 -0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.309 18.781 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.308 18.065 1.041 1.00 0.00 H new ATOM 243 N ASN A 15 9.012 16.424 1.990 1.00 0.00 N ATOM 244 CA ASN A 15 8.527 16.924 3.279 1.00 0.00 C ATOM 245 C ASN A 15 8.552 15.870 4.389 1.00 0.00 C ATOM 246 O ASN A 15 8.387 16.207 5.562 1.00 0.00 O ATOM 247 CB ASN A 15 7.108 17.470 3.119 1.00 0.00 C ATOM 248 CG ASN A 15 6.627 18.207 4.354 1.00 0.00 C ATOM 249 OD1 ASN A 15 7.397 18.457 5.281 1.00 0.00 O ATOM 250 ND2 ASN A 15 5.347 18.560 4.371 1.00 0.00 N ATOM 0 H ASN A 15 8.324 16.484 1.239 1.00 0.00 H new ATOM 0 HA ASN A 15 9.211 17.716 3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.076 18.143 2.262 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.427 16.646 2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.966 19.059 5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.745 18.332 3.580 1.00 0.00 H new ATOM 257 N ASN A 16 8.725 14.600 4.025 1.00 0.00 N ATOM 258 CA ASN A 16 8.736 13.504 5.006 1.00 0.00 C ATOM 259 C ASN A 16 7.309 13.059 5.327 1.00 0.00 C ATOM 260 O ASN A 16 7.075 12.229 6.210 1.00 0.00 O ATOM 261 CB ASN A 16 9.472 13.900 6.288 1.00 0.00 C ATOM 262 CG ASN A 16 10.523 12.882 6.687 1.00 0.00 C ATOM 263 OD1 ASN A 16 11.624 13.241 7.104 1.00 0.00 O ATOM 264 ND2 ASN A 16 10.187 11.604 6.560 1.00 0.00 N ATOM 0 H ASN A 16 8.860 14.300 3.060 1.00 0.00 H new ATOM 0 HA ASN A 16 9.275 12.668 4.560 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.946 14.871 6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.751 14.011 7.098 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.853 10.874 6.813 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.263 11.352 6.210 1.00 0.00 H new ATOM 271 N GLU A 17 6.364 13.575 4.554 1.00 0.00 N ATOM 272 CA GLU A 17 4.966 13.207 4.684 1.00 0.00 C ATOM 273 C GLU A 17 4.639 12.370 3.463 1.00 0.00 C ATOM 274 O GLU A 17 5.233 12.586 2.417 1.00 0.00 O ATOM 275 CB GLU A 17 4.069 14.448 4.752 1.00 0.00 C ATOM 276 CG GLU A 17 4.802 15.729 5.122 1.00 0.00 C ATOM 277 CD GLU A 17 3.956 16.659 5.970 1.00 0.00 C ATOM 278 OE1 GLU A 17 2.799 16.928 5.583 1.00 0.00 O ATOM 279 OE2 GLU A 17 4.450 17.119 7.020 1.00 0.00 O ATOM 0 H GLU A 17 6.547 14.260 3.820 1.00 0.00 H new ATOM 0 HA GLU A 17 4.790 12.653 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.585 14.586 3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.279 14.271 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.714 15.478 5.663 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.104 16.247 4.212 1.00 0.00 H new ATOM 286 N ILE A 18 3.792 11.362 3.579 1.00 0.00 N ATOM 287 CA ILE A 18 3.552 10.494 2.433 1.00 0.00 C ATOM 288 C ILE A 18 2.206 10.723 1.747 1.00 0.00 C ATOM 289 O ILE A 18 1.151 10.749 2.377 1.00 0.00 O ATOM 290 CB ILE A 18 3.720 8.994 2.825 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.783 8.080 2.025 1.00 0.00 C ATOM 292 CG2 ILE A 18 3.506 8.787 4.316 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.338 8.186 2.431 1.00 0.00 C ATOM 0 H ILE A 18 3.273 11.126 4.425 1.00 0.00 H new ATOM 0 HA ILE A 18 4.311 10.764 1.699 1.00 0.00 H new ATOM 0 HB ILE A 18 4.745 8.720 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.872 8.322 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.109 7.047 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.630 7.731 4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.235 9.375 4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.499 9.106 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.738 7.511 1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.234 7.915 3.482 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.993 9.210 2.285 1.00 0.00 H new ATOM 305 N PHE A 19 2.292 10.911 0.434 1.00 0.00 N ATOM 306 CA PHE A 19 1.136 11.153 -0.423 1.00 0.00 C ATOM 307 C PHE A 19 0.157 9.974 -0.399 1.00 0.00 C ATOM 308 O PHE A 19 0.334 8.990 -1.115 1.00 0.00 O ATOM 309 CB PHE A 19 1.643 11.421 -1.851 1.00 0.00 C ATOM 310 CG PHE A 19 0.717 11.028 -2.971 1.00 0.00 C ATOM 311 CD1 PHE A 19 0.780 9.759 -3.526 1.00 0.00 C ATOM 312 CD2 PHE A 19 -0.191 11.935 -3.488 1.00 0.00 C ATOM 313 CE1 PHE A 19 -0.047 9.401 -4.571 1.00 0.00 C ATOM 314 CE2 PHE A 19 -1.024 11.582 -4.533 1.00 0.00 C ATOM 315 CZ PHE A 19 -0.952 10.314 -5.075 1.00 0.00 C ATOM 0 H PHE A 19 3.178 10.899 -0.072 1.00 0.00 H new ATOM 0 HA PHE A 19 0.587 12.019 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.860 12.485 -1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.586 10.891 -1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.486 9.041 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.250 12.929 -3.071 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.013 8.409 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.731 12.298 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.602 10.037 -5.892 1.00 0.00 H new ATOM 325 N ILE A 20 -0.884 10.088 0.420 1.00 0.00 N ATOM 326 CA ILE A 20 -1.895 9.043 0.511 1.00 0.00 C ATOM 327 C ILE A 20 -3.149 9.468 -0.246 1.00 0.00 C ATOM 328 O ILE A 20 -3.640 10.583 -0.067 1.00 0.00 O ATOM 329 CB ILE A 20 -2.286 8.702 1.970 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.632 9.662 2.968 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.917 7.262 2.296 1.00 0.00 C ATOM 332 CD1 ILE A 20 -1.959 9.348 4.413 1.00 0.00 C ATOM 0 H ILE A 20 -1.048 10.891 1.028 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.456 8.149 0.069 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.366 8.818 2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.551 9.632 2.834 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.952 10.680 2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.198 7.038 3.325 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.446 6.589 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.842 7.126 2.176 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.462 10.068 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.037 9.407 4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.613 8.343 4.654 1.00 0.00 H new ATOM 344 N THR A 21 -3.666 8.585 -1.091 1.00 0.00 N ATOM 345 CA THR A 21 -4.862 8.893 -1.867 1.00 0.00 C ATOM 346 C THR A 21 -6.089 8.939 -0.965 1.00 0.00 C ATOM 347 O THR A 21 -6.515 7.915 -0.439 1.00 0.00 O ATOM 348 CB THR A 21 -5.068 7.849 -2.966 1.00 0.00 C ATOM 349 OG1 THR A 21 -5.118 6.544 -2.416 1.00 0.00 O ATOM 350 CG2 THR A 21 -3.981 7.863 -4.018 1.00 0.00 C ATOM 0 H THR A 21 -3.280 7.656 -1.256 1.00 0.00 H new ATOM 0 HA THR A 21 -4.726 9.872 -2.327 1.00 0.00 H new ATOM 0 HB THR A 21 -6.013 8.114 -3.441 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.005 6.594 -1.444 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.189 7.098 -4.766 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.951 8.841 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.018 7.659 -3.549 1.00 0.00 H new ATOM 358 N ARG A 22 -6.650 10.133 -0.791 1.00 0.00 N ATOM 359 CA ARG A 22 -7.828 10.311 0.054 1.00 0.00 C ATOM 360 C ARG A 22 -8.727 11.414 -0.492 1.00 0.00 C ATOM 361 O ARG A 22 -8.248 12.390 -1.067 1.00 0.00 O ATOM 362 CB ARG A 22 -7.398 10.636 1.491 1.00 0.00 C ATOM 363 CG ARG A 22 -8.500 11.228 2.361 1.00 0.00 C ATOM 364 CD ARG A 22 -8.313 12.724 2.556 1.00 0.00 C ATOM 365 NE ARG A 22 -6.969 13.051 3.027 1.00 0.00 N ATOM 366 CZ ARG A 22 -6.536 12.806 4.262 1.00 0.00 C ATOM 367 NH1 ARG A 22 -7.338 12.236 5.153 1.00 0.00 N ATOM 368 NH2 ARG A 22 -5.298 13.132 4.607 1.00 0.00 N ATOM 0 H ARG A 22 -6.308 10.991 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.396 9.381 0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.031 9.724 1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.563 11.336 1.458 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.470 11.038 1.901 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.505 10.731 3.331 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.502 13.239 1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.048 13.091 3.273 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.325 13.493 2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.291 11.983 4.893 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.001 12.051 6.098 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.678 13.570 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.966 12.944 5.553 1.00 0.00 H new ATOM 493 N ASN A 31 -13.685 7.515 2.194 1.00 0.00 N ATOM 494 CA ASN A 31 -13.030 6.498 3.008 1.00 0.00 C ATOM 495 C ASN A 31 -12.024 5.701 2.181 1.00 0.00 C ATOM 496 O ASN A 31 -11.800 4.517 2.433 1.00 0.00 O ATOM 497 CB ASN A 31 -14.071 5.555 3.615 1.00 0.00 C ATOM 498 CG ASN A 31 -13.777 5.227 5.066 1.00 0.00 C ATOM 499 OD1 ASN A 31 -13.249 4.160 5.379 1.00 0.00 O ATOM 500 ND2 ASN A 31 -14.118 6.147 5.961 1.00 0.00 N ATOM 0 HA ASN A 31 -12.492 7.002 3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.058 6.012 3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.103 4.632 3.036 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.944 5.983 6.953 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -14.554 7.018 5.657 1.00 0.00 H new ATOM 507 N LYS A 32 -11.427 6.355 1.188 1.00 0.00 N ATOM 508 CA LYS A 32 -10.453 5.703 0.320 1.00 0.00 C ATOM 509 C LYS A 32 -9.040 6.198 0.592 1.00 0.00 C ATOM 510 O LYS A 32 -8.179 6.159 -0.285 1.00 0.00 O ATOM 511 CB LYS A 32 -10.811 5.919 -1.150 1.00 0.00 C ATOM 512 CG LYS A 32 -10.459 4.739 -2.042 1.00 0.00 C ATOM 513 CD LYS A 32 -11.264 3.502 -1.675 1.00 0.00 C ATOM 514 CE LYS A 32 -12.383 3.247 -2.673 1.00 0.00 C ATOM 515 NZ LYS A 32 -12.040 2.155 -3.626 1.00 0.00 N ATOM 0 H LYS A 32 -11.601 7.335 0.965 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.484 4.636 0.540 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.880 6.118 -1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.294 6.806 -1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.647 5.000 -3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.395 4.521 -1.955 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.604 2.635 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.686 3.624 -0.677 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.296 2.987 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.589 4.162 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.828 2.013 -4.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.184 2.414 -4.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.868 1.275 -3.099 1.00 0.00 H new ATOM 529 N LEU A 33 -8.814 6.655 1.813 1.00 0.00 N ATOM 530 CA LEU A 33 -7.504 7.159 2.228 1.00 0.00 C ATOM 531 C LEU A 33 -6.484 6.018 2.306 1.00 0.00 C ATOM 532 O LEU A 33 -5.882 5.773 3.348 1.00 0.00 O ATOM 533 CB LEU A 33 -7.638 7.881 3.575 1.00 0.00 C ATOM 534 CG LEU A 33 -6.328 8.209 4.297 1.00 0.00 C ATOM 535 CD1 LEU A 33 -5.394 9.002 3.398 1.00 0.00 C ATOM 536 CD2 LEU A 33 -6.609 8.973 5.582 1.00 0.00 C ATOM 0 H LEU A 33 -9.525 6.689 2.544 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.140 7.870 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.183 8.811 3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.249 7.265 4.235 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.835 7.270 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.471 9.222 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.165 8.418 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.875 9.936 3.107 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.668 9.199 6.084 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.127 9.903 5.347 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.233 8.366 6.237 1.00 0.00 H new ATOM 548 N GLU A 34 -6.294 5.316 1.190 1.00 0.00 N ATOM 549 CA GLU A 34 -5.356 4.200 1.142 1.00 0.00 C ATOM 550 C GLU A 34 -4.175 4.503 0.229 1.00 0.00 C ATOM 551 O GLU A 34 -4.087 5.579 -0.362 1.00 0.00 O ATOM 552 CB GLU A 34 -6.065 2.927 0.675 1.00 0.00 C ATOM 553 CG GLU A 34 -5.680 1.690 1.472 1.00 0.00 C ATOM 554 CD GLU A 34 -6.137 0.403 0.811 1.00 0.00 C ATOM 555 OE1 GLU A 34 -6.973 0.475 -0.114 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.659 -0.676 1.219 1.00 0.00 O ATOM 0 H GLU A 34 -6.776 5.501 0.310 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.973 4.047 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.143 3.074 0.746 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.835 2.758 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.597 1.665 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.114 1.756 2.470 1.00 0.00 H new ATOM 563 N PHE A 35 -3.261 3.544 0.135 1.00 0.00 N ATOM 564 CA PHE A 35 -2.066 3.690 -0.686 1.00 0.00 C ATOM 565 C PHE A 35 -1.992 2.618 -1.778 1.00 0.00 C ATOM 566 O PHE A 35 -2.722 1.627 -1.742 1.00 0.00 O ATOM 567 CB PHE A 35 -0.805 3.614 0.190 1.00 0.00 C ATOM 568 CG PHE A 35 -1.075 3.483 1.665 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.648 2.332 2.182 1.00 0.00 C ATOM 570 CD2 PHE A 35 -0.750 4.511 2.532 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.893 2.210 3.536 1.00 0.00 C ATOM 572 CE2 PHE A 35 -0.992 4.396 3.887 1.00 0.00 C ATOM 573 CZ PHE A 35 -1.563 3.244 4.390 1.00 0.00 C ATOM 0 H PHE A 35 -3.327 2.650 0.622 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.122 4.666 -1.169 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.204 2.764 -0.133 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.207 4.509 0.021 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.906 1.520 1.518 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.302 5.414 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.342 1.308 3.926 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.735 5.207 4.553 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.751 3.152 5.449 1.00 0.00 H new ATOM 583 N PRO A 36 -1.070 2.795 -2.745 1.00 0.00 N ATOM 584 CA PRO A 36 -0.842 1.842 -3.841 1.00 0.00 C ATOM 585 C PRO A 36 -0.726 0.409 -3.329 1.00 0.00 C ATOM 586 O PRO A 36 -0.612 0.190 -2.123 1.00 0.00 O ATOM 587 CB PRO A 36 0.491 2.299 -4.460 1.00 0.00 C ATOM 588 CG PRO A 36 1.048 3.306 -3.511 1.00 0.00 C ATOM 589 CD PRO A 36 -0.136 3.926 -2.835 1.00 0.00 C ATOM 0 HA PRO A 36 -1.667 1.836 -4.553 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.174 1.459 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.336 2.734 -5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.711 2.835 -2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.636 4.058 -4.038 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.118 4.323 -1.852 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -0.550 4.751 -3.415 1.00 0.00 H new ATOM 597 N GLY A 37 -0.753 -0.568 -4.236 1.00 0.00 N ATOM 598 CA GLY A 37 -0.645 -1.951 -3.806 1.00 0.00 C ATOM 599 C GLY A 37 -1.956 -2.712 -3.796 1.00 0.00 C ATOM 600 O GLY A 37 -2.406 -3.214 -2.767 1.00 0.00 O ATOM 0 H GLY A 37 -0.846 -0.429 -5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.055 -2.468 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.219 -1.974 -2.803 1.00 0.00 H new ATOM 604 N GLY A 38 -2.547 -2.800 -4.962 1.00 0.00 N ATOM 605 CA GLY A 38 -3.798 -3.514 -5.134 1.00 0.00 C ATOM 606 C GLY A 38 -3.779 -4.388 -6.378 1.00 0.00 C ATOM 607 O GLY A 38 -3.817 -3.866 -7.492 1.00 0.00 O ATOM 0 H GLY A 38 -2.181 -2.383 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.988 -4.133 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.618 -2.800 -5.203 1.00 0.00 H new ATOM 611 N LYS A 39 -3.709 -5.718 -6.184 1.00 0.00 N ATOM 612 CA LYS A 39 -3.673 -6.691 -7.286 1.00 0.00 C ATOM 613 C LYS A 39 -2.270 -7.265 -7.470 1.00 0.00 C ATOM 614 O LYS A 39 -1.950 -7.813 -8.524 1.00 0.00 O ATOM 615 CB LYS A 39 -4.152 -6.087 -8.611 1.00 0.00 C ATOM 616 CG LYS A 39 -4.239 -7.105 -9.734 1.00 0.00 C ATOM 617 CD LYS A 39 -5.499 -6.918 -10.565 1.00 0.00 C ATOM 618 CE LYS A 39 -6.119 -8.252 -10.951 1.00 0.00 C ATOM 619 NZ LYS A 39 -7.521 -8.374 -10.465 1.00 0.00 N ATOM 0 H LYS A 39 -3.676 -6.146 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.358 -7.492 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.132 -5.634 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.472 -5.288 -8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.363 -7.015 -10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.225 -8.111 -9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.223 -6.329 -10.002 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.261 -6.353 -11.466 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.100 -8.361 -12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.520 -9.064 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.908 -9.297 -10.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.537 -8.296 -9.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.099 -7.615 -10.879 1.00 0.00 H new ATOM 633 N ILE A 40 -1.439 -7.154 -6.440 1.00 0.00 N ATOM 634 CA ILE A 40 -0.080 -7.685 -6.510 1.00 0.00 C ATOM 635 C ILE A 40 -0.126 -9.200 -6.563 1.00 0.00 C ATOM 636 O ILE A 40 0.670 -9.850 -7.240 1.00 0.00 O ATOM 637 CB ILE A 40 0.812 -7.212 -5.328 1.00 0.00 C ATOM 638 CG1 ILE A 40 0.908 -8.267 -4.208 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.300 -5.890 -4.774 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.311 -8.445 -3.666 1.00 0.00 C ATOM 0 H ILE A 40 -1.677 -6.706 -5.555 1.00 0.00 H new ATOM 0 HA ILE A 40 0.375 -7.295 -7.420 1.00 0.00 H new ATOM 0 HB ILE A 40 1.819 -7.069 -5.720 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.245 -7.980 -3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.550 -9.223 -4.589 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.935 -5.572 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.321 -5.134 -5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.723 -6.016 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.305 -9.202 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.974 -8.762 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.665 -7.500 -3.255 1.00 0.00 H new ATOM 652 N GLU A 41 -1.082 -9.739 -5.828 1.00 0.00 N ATOM 653 CA GLU A 41 -1.294 -11.175 -5.738 1.00 0.00 C ATOM 654 C GLU A 41 -1.211 -11.836 -7.112 1.00 0.00 C ATOM 655 O GLU A 41 -0.160 -12.345 -7.498 1.00 0.00 O ATOM 656 CB GLU A 41 -2.651 -11.457 -5.088 1.00 0.00 C ATOM 657 CG GLU A 41 -3.731 -10.440 -5.452 1.00 0.00 C ATOM 658 CD GLU A 41 -5.018 -11.094 -5.917 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.326 -12.205 -5.438 1.00 0.00 O ATOM 660 OE2 GLU A 41 -5.717 -10.495 -6.761 1.00 0.00 O ATOM 0 H GLU A 41 -1.738 -9.190 -5.273 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.504 -11.601 -5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.986 -12.451 -5.384 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.529 -11.472 -4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.940 -9.812 -4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.357 -9.784 -6.238 1.00 0.00 H new ATOM 667 N MET A 42 -2.322 -11.819 -7.847 1.00 0.00 N ATOM 668 CA MET A 42 -2.374 -12.414 -9.182 1.00 0.00 C ATOM 669 C MET A 42 -1.703 -13.790 -9.205 1.00 0.00 C ATOM 670 O MET A 42 -2.345 -14.807 -8.942 1.00 0.00 O ATOM 671 CB MET A 42 -1.709 -11.485 -10.202 1.00 0.00 C ATOM 672 CG MET A 42 -2.677 -10.538 -10.885 1.00 0.00 C ATOM 673 SD MET A 42 -3.748 -11.373 -12.070 1.00 0.00 S ATOM 674 CE MET A 42 -5.163 -11.753 -11.040 1.00 0.00 C ATOM 0 H MET A 42 -3.199 -11.399 -7.540 1.00 0.00 H new ATOM 0 HA MET A 42 -3.422 -12.546 -9.450 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.937 -10.902 -9.700 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.210 -12.089 -10.960 1.00 0.00 H new ATOM 0 HG2 MET A 42 -3.291 -10.046 -10.131 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.115 -9.757 -11.397 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.262 -12.834 -10.942 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.024 -11.311 -10.054 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.065 -11.346 -11.497 1.00 0.00 H new ATOM 684 N GLY A 43 -0.409 -13.815 -9.522 1.00 0.00 N ATOM 685 CA GLY A 43 0.319 -15.069 -9.572 1.00 0.00 C ATOM 686 C GLY A 43 1.820 -14.880 -9.560 1.00 0.00 C ATOM 687 O GLY A 43 2.566 -15.724 -10.055 1.00 0.00 O ATOM 0 H GLY A 43 0.146 -12.989 -9.745 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.029 -15.686 -8.721 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.034 -15.613 -10.472 1.00 0.00 H new ATOM 691 N GLU A 44 2.261 -13.769 -8.995 1.00 0.00 N ATOM 692 CA GLU A 44 3.685 -13.460 -8.918 1.00 0.00 C ATOM 693 C GLU A 44 4.269 -13.917 -7.584 1.00 0.00 C ATOM 694 O GLU A 44 3.632 -14.667 -6.844 1.00 0.00 O ATOM 695 CB GLU A 44 3.908 -11.958 -9.110 1.00 0.00 C ATOM 696 CG GLU A 44 4.574 -11.607 -10.431 1.00 0.00 C ATOM 697 CD GLU A 44 3.753 -10.640 -11.262 1.00 0.00 C ATOM 698 OE1 GLU A 44 3.044 -9.800 -10.668 1.00 0.00 O ATOM 699 OE2 GLU A 44 3.819 -10.722 -12.506 1.00 0.00 O ATOM 0 H GLU A 44 1.654 -13.062 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 44 4.198 -13.999 -9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.948 -11.446 -9.049 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.522 -11.583 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.553 -11.170 -10.235 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.741 -12.520 -11.003 1.00 0.00 H new ATOM 706 N THR A 45 5.479 -13.456 -7.274 1.00 0.00 N ATOM 707 CA THR A 45 6.133 -13.816 -6.024 1.00 0.00 C ATOM 708 C THR A 45 5.929 -12.709 -4.996 1.00 0.00 C ATOM 709 O THR A 45 5.635 -11.571 -5.359 1.00 0.00 O ATOM 710 CB THR A 45 7.630 -14.054 -6.258 1.00 0.00 C ATOM 711 OG1 THR A 45 7.948 -13.949 -7.634 1.00 0.00 O ATOM 712 CG2 THR A 45 8.104 -15.411 -5.785 1.00 0.00 C ATOM 0 H THR A 45 6.023 -12.834 -7.872 1.00 0.00 H new ATOM 0 HA THR A 45 5.691 -14.737 -5.645 1.00 0.00 H new ATOM 0 HB THR A 45 8.135 -13.285 -5.674 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.710 -14.531 -7.839 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.171 -15.512 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.921 -15.508 -4.715 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.562 -16.192 -6.318 1.00 0.00 H new ATOM 720 N PRO A 46 6.086 -13.016 -3.696 1.00 0.00 N ATOM 721 CA PRO A 46 5.920 -12.033 -2.627 1.00 0.00 C ATOM 722 C PRO A 46 6.584 -10.700 -2.959 1.00 0.00 C ATOM 723 O PRO A 46 6.170 -9.650 -2.468 1.00 0.00 O ATOM 724 CB PRO A 46 6.601 -12.693 -1.414 1.00 0.00 C ATOM 725 CG PRO A 46 7.212 -13.960 -1.923 1.00 0.00 C ATOM 726 CD PRO A 46 6.440 -14.329 -3.154 1.00 0.00 C ATOM 0 HA PRO A 46 4.871 -11.792 -2.456 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.360 -12.037 -0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.878 -12.898 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.268 -13.818 -2.153 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.152 -14.750 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.041 -14.911 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.558 -14.925 -2.919 1.00 0.00 H new ATOM 734 N GLU A 47 7.615 -10.749 -3.798 1.00 0.00 N ATOM 735 CA GLU A 47 8.332 -9.545 -4.196 1.00 0.00 C ATOM 736 C GLU A 47 7.960 -9.116 -5.616 1.00 0.00 C ATOM 737 O GLU A 47 7.664 -7.947 -5.858 1.00 0.00 O ATOM 738 CB GLU A 47 9.842 -9.773 -4.102 1.00 0.00 C ATOM 739 CG GLU A 47 10.417 -9.477 -2.726 1.00 0.00 C ATOM 740 CD GLU A 47 10.886 -10.726 -2.007 1.00 0.00 C ATOM 741 OE1 GLU A 47 11.292 -11.689 -2.692 1.00 0.00 O ATOM 742 OE2 GLU A 47 10.847 -10.743 -0.758 1.00 0.00 O ATOM 0 H GLU A 47 7.971 -11.609 -4.214 1.00 0.00 H new ATOM 0 HA GLU A 47 8.043 -8.746 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.062 -10.808 -4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.343 -9.145 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.253 -8.785 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.661 -8.977 -2.121 1.00 0.00 H new ATOM 749 N GLN A 48 7.990 -10.062 -6.554 1.00 0.00 N ATOM 750 CA GLN A 48 7.674 -9.768 -7.951 1.00 0.00 C ATOM 751 C GLN A 48 6.186 -9.489 -8.161 1.00 0.00 C ATOM 752 O GLN A 48 5.769 -9.131 -9.263 1.00 0.00 O ATOM 753 CB GLN A 48 8.120 -10.925 -8.847 1.00 0.00 C ATOM 754 CG GLN A 48 9.517 -10.747 -9.420 1.00 0.00 C ATOM 755 CD GLN A 48 10.339 -12.020 -9.361 1.00 0.00 C ATOM 756 OE1 GLN A 48 11.512 -11.998 -8.988 1.00 0.00 O ATOM 757 NE2 GLN A 48 9.726 -13.138 -9.730 1.00 0.00 N ATOM 0 H GLN A 48 8.229 -11.037 -6.372 1.00 0.00 H new ATOM 0 HA GLN A 48 8.218 -8.863 -8.222 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.087 -11.851 -8.274 1.00 0.00 H new ATOM 0 HB3 GLN A 48 7.411 -11.032 -9.668 1.00 0.00 H new ATOM 0 HG2 GLN A 48 9.441 -10.416 -10.456 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.033 -9.960 -8.871 1.00 0.00 H new ATOM 0 HE21 GLN A 48 8.752 -13.110 -10.032 1.00 0.00 H new ATOM 0 HE22 GLN A 48 10.229 -14.025 -9.711 1.00 0.00 H new ATOM 766 N ALA A 49 5.388 -9.639 -7.110 1.00 0.00 N ATOM 767 CA ALA A 49 3.957 -9.385 -7.206 1.00 0.00 C ATOM 768 C ALA A 49 3.668 -7.898 -7.060 1.00 0.00 C ATOM 769 O ALA A 49 2.898 -7.323 -7.830 1.00 0.00 O ATOM 770 CB ALA A 49 3.204 -10.178 -6.149 1.00 0.00 C ATOM 0 H ALA A 49 5.706 -9.934 -6.187 1.00 0.00 H new ATOM 0 HA ALA A 49 3.616 -9.708 -8.189 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.136 -9.976 -6.235 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.385 -11.243 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.550 -9.884 -5.158 1.00 0.00 H new ATOM 776 N VAL A 50 4.309 -7.278 -6.077 1.00 0.00 N ATOM 777 CA VAL A 50 4.138 -5.852 -5.844 1.00 0.00 C ATOM 778 C VAL A 50 4.970 -5.033 -6.823 1.00 0.00 C ATOM 779 O VAL A 50 4.568 -3.951 -7.228 1.00 0.00 O ATOM 780 CB VAL A 50 4.506 -5.439 -4.405 1.00 0.00 C ATOM 781 CG1 VAL A 50 5.830 -6.055 -3.982 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.549 -3.920 -4.289 1.00 0.00 C ATOM 0 H VAL A 50 4.950 -7.739 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 50 3.079 -5.647 -5.997 1.00 0.00 H new ATOM 0 HB VAL A 50 3.737 -5.816 -3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.065 -5.747 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.756 -7.142 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.619 -5.718 -4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.810 -3.640 -3.268 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.296 -3.524 -4.976 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.571 -3.508 -4.539 1.00 0.00 H new ATOM 792 N VAL A 51 6.134 -5.550 -7.194 1.00 0.00 N ATOM 793 CA VAL A 51 7.013 -4.845 -8.118 1.00 0.00 C ATOM 794 C VAL A 51 6.256 -4.411 -9.369 1.00 0.00 C ATOM 795 O VAL A 51 6.525 -3.348 -9.929 1.00 0.00 O ATOM 796 CB VAL A 51 8.227 -5.707 -8.526 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.131 -4.951 -9.493 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.008 -6.145 -7.295 1.00 0.00 C ATOM 0 H VAL A 51 6.490 -6.450 -6.872 1.00 0.00 H new ATOM 0 HA VAL A 51 7.378 -3.962 -7.593 1.00 0.00 H new ATOM 0 HB VAL A 51 7.856 -6.597 -9.035 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.979 -5.580 -9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.568 -4.692 -10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.493 -4.040 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.860 -6.752 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.363 -5.266 -6.758 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.361 -6.732 -6.643 1.00 0.00 H new ATOM 808 N ARG A 52 5.313 -5.238 -9.809 1.00 0.00 N ATOM 809 CA ARG A 52 4.529 -4.931 -10.999 1.00 0.00 C ATOM 810 C ARG A 52 3.435 -3.910 -10.698 1.00 0.00 C ATOM 811 O ARG A 52 3.092 -3.085 -11.544 1.00 0.00 O ATOM 812 CB ARG A 52 3.916 -6.211 -11.573 1.00 0.00 C ATOM 813 CG ARG A 52 3.054 -5.977 -12.804 1.00 0.00 C ATOM 814 CD ARG A 52 2.741 -7.280 -13.523 1.00 0.00 C ATOM 815 NE ARG A 52 1.337 -7.365 -13.914 1.00 0.00 N ATOM 816 CZ ARG A 52 0.352 -7.685 -13.078 1.00 0.00 C ATOM 817 NH1 ARG A 52 0.614 -7.951 -11.804 1.00 0.00 N ATOM 818 NH2 ARG A 52 -0.898 -7.740 -13.516 1.00 0.00 N ATOM 0 H ARG A 52 5.074 -6.123 -9.361 1.00 0.00 H new ATOM 0 HA ARG A 52 5.200 -4.494 -11.738 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.717 -6.905 -11.828 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.312 -6.691 -10.803 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.124 -5.490 -12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.568 -5.299 -13.485 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.370 -7.365 -14.409 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.988 -8.120 -12.874 1.00 0.00 H new ATOM 0 HE ARG A 52 1.097 -7.167 -14.885 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.574 -7.911 -11.462 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.145 -8.196 -11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.105 -7.537 -14.494 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.653 -7.985 -12.875 1.00 0.00 H new ATOM 832 N GLU A 53 2.925 -3.948 -9.477 1.00 0.00 N ATOM 833 CA GLU A 53 1.907 -2.997 -9.048 1.00 0.00 C ATOM 834 C GLU A 53 2.575 -1.673 -8.690 1.00 0.00 C ATOM 835 O GLU A 53 2.012 -0.601 -8.869 1.00 0.00 O ATOM 836 CB GLU A 53 1.124 -3.547 -7.854 1.00 0.00 C ATOM 837 CG GLU A 53 0.451 -4.884 -8.131 1.00 0.00 C ATOM 838 CD GLU A 53 -0.251 -4.924 -9.475 1.00 0.00 C ATOM 839 OE1 GLU A 53 -1.379 -4.396 -9.571 1.00 0.00 O ATOM 840 OE2 GLU A 53 0.326 -5.484 -10.430 1.00 0.00 O ATOM 0 H GLU A 53 3.198 -4.626 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 53 1.201 -2.834 -9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.801 -3.659 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.365 -2.821 -7.562 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.199 -5.676 -8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.272 -5.091 -7.343 1.00 0.00 H new ATOM 847 N LEU A 54 3.770 -1.794 -8.126 1.00 0.00 N ATOM 848 CA LEU A 54 4.517 -0.629 -7.675 1.00 0.00 C ATOM 849 C LEU A 54 4.509 0.411 -8.786 1.00 0.00 C ATOM 850 O LEU A 54 4.207 1.581 -8.557 1.00 0.00 O ATOM 851 CB LEU A 54 5.952 -1.024 -7.325 1.00 0.00 C ATOM 852 CG LEU A 54 6.553 -0.276 -6.137 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.503 -1.133 -4.883 1.00 0.00 C ATOM 854 CD2 LEU A 54 7.979 0.153 -6.443 1.00 0.00 C ATOM 0 H LEU A 54 4.241 -2.685 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 54 4.053 -0.215 -6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.978 -2.093 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.583 -0.856 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 54 5.959 0.620 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.936 -0.582 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.467 -1.383 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.070 -2.049 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.391 0.685 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.587 -0.727 -6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.983 0.810 -7.313 1.00 0.00 H new ATOM 866 N GLN A 55 4.829 -0.033 -9.991 1.00 0.00 N ATOM 867 CA GLN A 55 4.845 0.854 -11.154 1.00 0.00 C ATOM 868 C GLN A 55 3.426 1.104 -11.665 1.00 0.00 C ATOM 869 O GLN A 55 3.140 2.143 -12.259 1.00 0.00 O ATOM 870 CB GLN A 55 5.703 0.252 -12.268 1.00 0.00 C ATOM 871 CG GLN A 55 5.822 1.143 -13.494 1.00 0.00 C ATOM 872 CD GLN A 55 7.206 1.102 -14.112 1.00 0.00 C ATOM 873 OE1 GLN A 55 7.869 2.130 -14.246 1.00 0.00 O ATOM 874 NE2 GLN A 55 7.648 -0.091 -14.494 1.00 0.00 N ATOM 0 H GLN A 55 5.082 -1.000 -10.194 1.00 0.00 H new ATOM 0 HA GLN A 55 5.276 1.808 -10.849 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.701 0.050 -11.878 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.277 -0.706 -12.566 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.087 0.833 -14.237 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.582 2.170 -13.217 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.064 -0.917 -14.364 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.571 -0.181 -14.918 1.00 0.00 H new ATOM 883 N GLU A 56 2.545 0.139 -11.428 1.00 0.00 N ATOM 884 CA GLU A 56 1.152 0.238 -11.858 1.00 0.00 C ATOM 885 C GLU A 56 0.361 1.184 -10.963 1.00 0.00 C ATOM 886 O GLU A 56 -0.671 1.717 -11.367 1.00 0.00 O ATOM 887 CB GLU A 56 0.494 -1.140 -11.835 1.00 0.00 C ATOM 888 CG GLU A 56 -0.551 -1.338 -12.921 1.00 0.00 C ATOM 889 CD GLU A 56 -1.780 -2.073 -12.421 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.075 -1.985 -11.210 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.449 -2.736 -13.242 1.00 0.00 O ATOM 0 H GLU A 56 2.771 -0.726 -10.938 1.00 0.00 H new ATOM 0 HA GLU A 56 1.148 0.634 -12.874 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.265 -1.903 -11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.027 -1.293 -10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.849 -0.366 -13.315 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.110 -1.896 -13.747 1.00 0.00 H new ATOM 898 N GLU A 57 0.837 1.366 -9.739 1.00 0.00 N ATOM 899 CA GLU A 57 0.163 2.220 -8.774 1.00 0.00 C ATOM 900 C GLU A 57 0.933 3.522 -8.540 1.00 0.00 C ATOM 901 O GLU A 57 0.553 4.333 -7.695 1.00 0.00 O ATOM 902 CB GLU A 57 -0.022 1.471 -7.453 1.00 0.00 C ATOM 903 CG GLU A 57 -0.457 0.022 -7.625 1.00 0.00 C ATOM 904 CD GLU A 57 -1.946 -0.169 -7.414 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.537 0.597 -6.624 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.521 -1.086 -8.039 1.00 0.00 O ATOM 0 H GLU A 57 1.691 0.931 -9.391 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.814 2.481 -9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.915 1.496 -6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.764 1.994 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.189 -0.317 -8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.089 -0.604 -6.919 1.00 0.00 H new ATOM 913 N VAL A 58 2.001 3.725 -9.307 1.00 0.00 N ATOM 914 CA VAL A 58 2.807 4.934 -9.202 1.00 0.00 C ATOM 915 C VAL A 58 3.099 5.476 -10.591 1.00 0.00 C ATOM 916 O VAL A 58 2.991 6.676 -10.842 1.00 0.00 O ATOM 917 CB VAL A 58 4.142 4.679 -8.472 1.00 0.00 C ATOM 918 CG1 VAL A 58 4.859 5.989 -8.189 1.00 0.00 C ATOM 919 CG2 VAL A 58 3.913 3.917 -7.183 1.00 0.00 C ATOM 0 H VAL A 58 2.328 3.063 -10.011 1.00 0.00 H new ATOM 0 HA VAL A 58 2.236 5.657 -8.621 1.00 0.00 H new ATOM 0 HB VAL A 58 4.772 4.073 -9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.798 5.786 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.064 6.502 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.230 6.620 -7.561 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.868 3.749 -6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.260 4.496 -6.529 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.446 2.958 -7.406 1.00 0.00 H new ATOM 929 N GLY A 59 3.453 4.567 -11.495 1.00 0.00 N ATOM 930 CA GLY A 59 3.742 4.938 -12.865 1.00 0.00 C ATOM 931 C GLY A 59 5.033 5.709 -13.029 1.00 0.00 C ATOM 932 O GLY A 59 5.786 5.485 -13.976 1.00 0.00 O ATOM 0 H GLY A 59 3.545 3.570 -11.298 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.789 4.035 -13.474 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.919 5.540 -13.250 1.00 0.00 H new ATOM 936 N ILE A 60 5.281 6.614 -12.109 1.00 0.00 N ATOM 937 CA ILE A 60 6.480 7.431 -12.141 1.00 0.00 C ATOM 938 C ILE A 60 7.686 6.641 -11.655 1.00 0.00 C ATOM 939 O ILE A 60 7.593 5.442 -11.395 1.00 0.00 O ATOM 940 CB ILE A 60 6.349 8.709 -11.278 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.307 8.562 -10.169 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.028 9.913 -12.150 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.667 9.334 -8.917 1.00 0.00 C ATOM 0 H ILE A 60 4.663 6.806 -11.321 1.00 0.00 H new ATOM 0 HA ILE A 60 6.617 7.728 -13.181 1.00 0.00 H new ATOM 0 HB ILE A 60 7.313 8.864 -10.794 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.341 8.907 -10.537 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.195 7.507 -9.920 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.940 10.802 -11.525 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.827 10.059 -12.877 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.087 9.743 -12.673 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.890 9.191 -8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.619 8.973 -8.528 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.751 10.394 -9.155 1.00 0.00 H new ATOM 955 N THR A 61 8.818 7.326 -11.541 1.00 0.00 N ATOM 956 CA THR A 61 10.046 6.716 -11.092 1.00 0.00 C ATOM 957 C THR A 61 10.417 7.247 -9.713 1.00 0.00 C ATOM 958 O THR A 61 11.100 8.265 -9.598 1.00 0.00 O ATOM 959 CB THR A 61 11.137 7.062 -12.086 1.00 0.00 C ATOM 960 OG1 THR A 61 10.926 8.355 -12.625 1.00 0.00 O ATOM 961 CG2 THR A 61 11.219 6.093 -13.242 1.00 0.00 C ATOM 0 H THR A 61 8.902 8.319 -11.759 1.00 0.00 H new ATOM 0 HA THR A 61 9.925 5.635 -11.025 1.00 0.00 H new ATOM 0 HB THR A 61 12.070 7.013 -11.525 1.00 0.00 H new ATOM 0 HG1 THR A 61 11.640 8.564 -13.263 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.020 6.398 -13.916 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.425 5.092 -12.864 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.272 6.089 -13.782 1.00 0.00 H new ATOM 969 N PRO A 62 9.932 6.600 -8.644 1.00 0.00 N ATOM 970 CA PRO A 62 10.163 7.032 -7.284 1.00 0.00 C ATOM 971 C PRO A 62 11.101 6.135 -6.494 1.00 0.00 C ATOM 972 O PRO A 62 11.095 4.916 -6.666 1.00 0.00 O ATOM 973 CB PRO A 62 8.754 6.870 -6.737 1.00 0.00 C ATOM 974 CG PRO A 62 8.287 5.582 -7.345 1.00 0.00 C ATOM 975 CD PRO A 62 9.048 5.425 -8.646 1.00 0.00 C ATOM 0 HA PRO A 62 10.627 8.016 -7.224 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.749 6.824 -5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.114 7.704 -7.024 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.482 4.743 -6.677 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.212 5.604 -7.524 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.613 4.493 -8.676 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.381 5.421 -9.508 1.00 0.00 H new ATOM 983 N GLN A 63 11.847 6.729 -5.567 1.00 0.00 N ATOM 984 CA GLN A 63 12.702 5.938 -4.706 1.00 0.00 C ATOM 985 C GLN A 63 11.775 5.269 -3.711 1.00 0.00 C ATOM 986 O GLN A 63 11.577 5.744 -2.592 1.00 0.00 O ATOM 987 CB GLN A 63 13.730 6.814 -3.990 1.00 0.00 C ATOM 988 CG GLN A 63 14.512 7.720 -4.927 1.00 0.00 C ATOM 989 CD GLN A 63 15.350 8.742 -4.184 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.155 8.973 -2.991 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.289 9.363 -4.889 1.00 0.00 N ATOM 0 H GLN A 63 11.874 7.735 -5.399 1.00 0.00 H new ATOM 0 HA GLN A 63 13.273 5.207 -5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.219 7.427 -3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.428 6.174 -3.450 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.161 7.112 -5.557 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.818 8.237 -5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.416 9.141 -5.876 1.00 0.00 H new ATOM 0 HE22 GLN A 63 16.883 10.062 -4.443 1.00 0.00 H new ATOM 1000 N HIS A 64 11.160 4.196 -4.173 1.00 0.00 N ATOM 1001 CA HIS A 64 10.179 3.465 -3.392 1.00 0.00 C ATOM 1002 C HIS A 64 10.572 2.006 -3.255 1.00 0.00 C ATOM 1003 O HIS A 64 10.870 1.335 -4.243 1.00 0.00 O ATOM 1004 CB HIS A 64 8.823 3.613 -4.095 1.00 0.00 C ATOM 1005 CG HIS A 64 7.732 2.676 -3.645 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.400 3.035 -3.652 1.00 0.00 N ATOM 1007 CD2 HIS A 64 7.765 1.390 -3.208 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.665 2.017 -3.240 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.469 1.009 -2.965 1.00 0.00 N ATOM 0 H HIS A 64 11.327 3.806 -5.101 1.00 0.00 H new ATOM 0 HA HIS A 64 10.122 3.868 -2.381 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.475 4.636 -3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.975 3.472 -5.165 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.038 3.946 -3.932 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.647 0.781 -3.076 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.589 2.012 -3.145 1.00 0.00 H new ATOM 1018 N PHE A 65 10.575 1.521 -2.019 1.00 0.00 N ATOM 1019 CA PHE A 65 10.937 0.149 -1.740 1.00 0.00 C ATOM 1020 C PHE A 65 10.937 -0.104 -0.234 1.00 0.00 C ATOM 1021 O PHE A 65 10.540 0.754 0.544 1.00 0.00 O ATOM 1022 CB PHE A 65 12.326 -0.114 -2.297 1.00 0.00 C ATOM 1023 CG PHE A 65 12.495 -1.442 -2.994 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.572 -2.467 -2.831 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.583 -1.658 -3.826 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.734 -3.676 -3.480 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.748 -2.865 -4.479 1.00 0.00 C ATOM 1028 CZ PHE A 65 12.823 -3.875 -4.306 1.00 0.00 C ATOM 0 H PHE A 65 10.328 2.067 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 65 10.212 -0.518 -2.206 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.576 0.682 -2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.045 -0.056 -1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.717 -2.317 -2.189 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.311 -0.873 -3.966 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.010 -4.465 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.600 -3.018 -5.124 1.00 0.00 H new ATOM 0 HZ PHE A 65 12.951 -4.819 -4.815 1.00 0.00 H new ATOM 1038 N SER A 66 11.395 -1.284 0.165 1.00 0.00 N ATOM 1039 CA SER A 66 11.468 -1.660 1.573 1.00 0.00 C ATOM 1040 C SER A 66 10.096 -2.034 2.102 1.00 0.00 C ATOM 1041 O SER A 66 9.082 -1.592 1.572 1.00 0.00 O ATOM 1042 CB SER A 66 12.060 -0.522 2.411 1.00 0.00 C ATOM 1043 OG SER A 66 13.148 0.093 1.742 1.00 0.00 O ATOM 0 H SER A 66 11.726 -2.006 -0.475 1.00 0.00 H new ATOM 0 HA SER A 66 12.122 -2.528 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.289 0.221 2.617 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.394 -0.911 3.373 1.00 0.00 H new ATOM 0 HG SER A 66 13.506 0.817 2.297 1.00 0.00 H new ATOM 1049 N LEU A 67 10.074 -2.858 3.143 1.00 0.00 N ATOM 1050 CA LEU A 67 8.823 -3.301 3.744 1.00 0.00 C ATOM 1051 C LEU A 67 8.719 -2.828 5.189 1.00 0.00 C ATOM 1052 O LEU A 67 9.496 -3.252 6.044 1.00 0.00 O ATOM 1053 CB LEU A 67 8.721 -4.828 3.681 1.00 0.00 C ATOM 1054 CG LEU A 67 7.580 -5.443 4.500 1.00 0.00 C ATOM 1055 CD1 LEU A 67 6.760 -6.399 3.646 1.00 0.00 C ATOM 1056 CD2 LEU A 67 8.128 -6.159 5.726 1.00 0.00 C ATOM 0 H LEU A 67 10.911 -3.233 3.589 1.00 0.00 H new ATOM 0 HA LEU A 67 7.998 -2.865 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.599 -5.125 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.664 -5.253 4.026 1.00 0.00 H new ATOM 0 HG LEU A 67 6.927 -4.637 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.956 -6.824 4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.335 -5.858 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.401 -7.200 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.304 -6.589 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.805 -6.953 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.668 -5.448 6.351 1.00 0.00 H new ATOM 1068 N PHE A 68 7.767 -1.937 5.458 1.00 0.00 N ATOM 1069 CA PHE A 68 7.588 -1.404 6.800 1.00 0.00 C ATOM 1070 C PHE A 68 6.921 -2.447 7.698 1.00 0.00 C ATOM 1071 O PHE A 68 7.275 -2.594 8.868 1.00 0.00 O ATOM 1072 CB PHE A 68 6.747 -0.115 6.739 1.00 0.00 C ATOM 1073 CG PHE A 68 5.554 -0.088 7.662 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.423 -0.838 7.380 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.566 0.690 8.809 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.328 -0.814 8.222 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.473 0.720 9.655 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.353 -0.033 9.361 1.00 0.00 C ATOM 0 H PHE A 68 7.112 -1.572 4.766 1.00 0.00 H new ATOM 0 HA PHE A 68 8.563 -1.164 7.225 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.390 0.732 6.976 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.399 0.026 5.716 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.397 -1.449 6.490 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.440 1.280 9.045 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.454 -1.405 7.990 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.495 1.332 10.545 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.498 -0.011 10.021 1.00 0.00 H new ATOM 1088 N GLU A 69 5.960 -3.168 7.134 1.00 0.00 N ATOM 1089 CA GLU A 69 5.245 -4.202 7.872 1.00 0.00 C ATOM 1090 C GLU A 69 4.347 -5.013 6.946 1.00 0.00 C ATOM 1091 O GLU A 69 3.973 -4.554 5.874 1.00 0.00 O ATOM 1092 CB GLU A 69 4.410 -3.574 8.989 1.00 0.00 C ATOM 1093 CG GLU A 69 4.341 -4.422 10.248 1.00 0.00 C ATOM 1094 CD GLU A 69 2.974 -4.384 10.903 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.238 -3.398 10.683 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.639 -5.339 11.634 1.00 0.00 O ATOM 0 H GLU A 69 5.657 -3.056 6.166 1.00 0.00 H new ATOM 0 HA GLU A 69 5.982 -4.874 8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.829 -2.599 9.240 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.398 -3.401 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.593 -5.453 10.001 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.090 -4.072 10.959 1.00 0.00 H new ATOM 1103 N LYS A 70 3.999 -6.220 7.365 1.00 0.00 N ATOM 1104 CA LYS A 70 3.135 -7.084 6.573 1.00 0.00 C ATOM 1105 C LYS A 70 2.213 -7.865 7.503 1.00 0.00 C ATOM 1106 O LYS A 70 2.671 -8.420 8.502 1.00 0.00 O ATOM 1107 CB LYS A 70 3.969 -8.046 5.724 1.00 0.00 C ATOM 1108 CG LYS A 70 4.967 -8.860 6.531 1.00 0.00 C ATOM 1109 CD LYS A 70 4.407 -10.225 6.898 1.00 0.00 C ATOM 1110 CE LYS A 70 4.479 -11.190 5.726 1.00 0.00 C ATOM 1111 NZ LYS A 70 5.873 -11.640 5.460 1.00 0.00 N ATOM 0 H LYS A 70 4.302 -6.625 8.251 1.00 0.00 H new ATOM 0 HA LYS A 70 2.536 -6.470 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.300 -8.726 5.197 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.506 -7.476 4.966 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.885 -8.985 5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.230 -8.318 7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.964 -10.633 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.371 -10.120 7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.851 -12.057 5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.077 -10.709 4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.858 -12.452 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.413 -10.862 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.324 -11.920 6.354 1.00 0.00 H new ATOM 1125 N LEU A 71 0.918 -7.909 7.197 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.011 -8.628 8.048 1.00 0.00 C ATOM 1127 C LEU A 71 -0.312 -10.026 7.510 1.00 0.00 C ATOM 1128 O LEU A 71 -0.857 -10.195 6.419 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.311 -7.831 8.187 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.456 -8.581 8.868 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -2.804 -7.938 10.203 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.677 -8.637 7.962 1.00 0.00 C ATOM 0 H LEU A 71 0.499 -7.463 6.381 1.00 0.00 H new ATOM 0 HA LEU A 71 0.457 -8.745 9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.104 -6.922 8.752 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.638 -7.521 7.194 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.127 -9.602 9.059 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.621 -8.488 10.670 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.932 -7.961 10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.109 -6.904 10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.480 -9.175 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.007 -7.624 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.420 -9.152 7.037 1.00 0.00 H new ATOM 1144 N GLU A 72 0.092 -11.016 8.292 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.080 -12.404 7.914 1.00 0.00 C ATOM 1146 C GLU A 72 -1.051 -13.127 8.843 1.00 0.00 C ATOM 1147 O GLU A 72 -0.739 -13.419 9.998 1.00 0.00 O ATOM 1148 CB GLU A 72 1.278 -13.101 7.914 1.00 0.00 C ATOM 1149 CG GLU A 72 1.181 -14.592 7.696 1.00 0.00 C ATOM 1150 CD GLU A 72 2.529 -15.283 7.740 1.00 0.00 C ATOM 1151 OE1 GLU A 72 3.478 -14.697 8.303 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.637 -16.409 7.211 1.00 0.00 O ATOM 0 H GLU A 72 0.543 -10.879 9.196 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.509 -12.436 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.902 -12.666 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.777 -12.911 8.864 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.532 -15.024 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.712 -14.783 6.731 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.230 -13.423 8.302 1.00 0.00 N ATOM 1160 CA TYR A 73 -3.277 -14.129 9.030 1.00 0.00 C ATOM 1161 C TYR A 73 -4.002 -15.095 8.097 1.00 0.00 C ATOM 1162 O TYR A 73 -4.309 -14.746 6.956 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.271 -13.136 9.635 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.125 -13.726 10.734 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -4.656 -13.800 12.040 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -6.400 -14.208 10.467 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -5.434 -14.338 13.048 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.183 -14.747 11.469 1.00 0.00 C ATOM 1169 CZ TYR A 73 -6.696 -14.810 12.757 1.00 0.00 C ATOM 1170 OH TYR A 73 -7.473 -15.346 13.758 1.00 0.00 O ATOM 0 H TYR A 73 -2.485 -13.179 7.345 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.817 -14.696 9.840 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -3.722 -12.282 10.032 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.920 -12.758 8.845 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.668 -13.431 12.271 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.785 -14.161 9.459 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.055 -14.388 14.058 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.172 -15.117 11.244 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.334 -15.631 13.387 1.00 0.00 H new ATOM 1180 N GLU A 74 -4.276 -16.304 8.573 1.00 0.00 N ATOM 1181 CA GLU A 74 -4.967 -17.296 7.751 1.00 0.00 C ATOM 1182 C GLU A 74 -6.318 -17.671 8.343 1.00 0.00 C ATOM 1183 O GLU A 74 -6.413 -18.119 9.486 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.117 -18.556 7.558 1.00 0.00 C ATOM 1185 CG GLU A 74 -3.305 -18.950 8.780 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.053 -19.727 8.422 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -1.344 -19.311 7.482 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -1.783 -20.753 9.082 1.00 0.00 O ATOM 0 H GLU A 74 -4.035 -16.621 9.512 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.132 -16.835 6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.771 -19.385 7.287 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -3.439 -18.399 6.720 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.026 -18.052 9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.924 -19.552 9.445 1.00 0.00 H new ATOM 1195 N PHE A 75 -7.357 -17.489 7.540 1.00 0.00 N ATOM 1196 CA PHE A 75 -8.715 -17.804 7.938 1.00 0.00 C ATOM 1197 C PHE A 75 -9.088 -19.210 7.467 1.00 0.00 C ATOM 1198 O PHE A 75 -8.416 -19.772 6.605 1.00 0.00 O ATOM 1199 CB PHE A 75 -9.676 -16.771 7.350 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.044 -15.655 8.294 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -10.212 -15.889 9.652 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -10.221 -14.366 7.816 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -10.549 -14.859 10.510 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -10.559 -13.334 8.670 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.723 -13.581 10.018 1.00 0.00 C ATOM 0 H PHE A 75 -7.278 -17.118 6.593 1.00 0.00 H new ATOM 0 HA PHE A 75 -8.787 -17.774 9.025 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.225 -16.340 6.456 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.587 -17.279 7.034 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.078 -16.887 10.042 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -10.093 -14.166 6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.676 -15.054 11.565 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.695 -12.335 8.283 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.987 -12.775 10.687 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.162 -19.795 8.035 1.00 0.00 N ATOM 1216 CA PRO A 76 -10.642 -21.135 7.699 1.00 0.00 C ATOM 1217 C PRO A 76 -10.461 -21.492 6.226 1.00 0.00 C ATOM 1218 O PRO A 76 -11.400 -21.414 5.432 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.136 -21.085 8.066 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.361 -19.764 8.742 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.005 -19.195 9.057 1.00 0.00 C ATOM 0 HA PRO A 76 -10.080 -21.902 8.232 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.758 -21.177 7.176 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.402 -21.910 8.727 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.921 -19.090 8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -12.947 -19.891 9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.999 -18.107 8.999 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.677 -19.463 10.061 1.00 0.00 H new ATOM 1229 N ASP A 77 -9.239 -21.888 5.884 1.00 0.00 N ATOM 1230 CA ASP A 77 -8.880 -22.280 4.517 1.00 0.00 C ATOM 1231 C ASP A 77 -8.447 -21.077 3.683 1.00 0.00 C ATOM 1232 O ASP A 77 -7.421 -21.120 3.005 1.00 0.00 O ATOM 1233 CB ASP A 77 -10.043 -23.002 3.825 1.00 0.00 C ATOM 1234 CG ASP A 77 -9.568 -24.014 2.802 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -9.362 -25.187 3.179 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -9.402 -23.635 1.624 1.00 0.00 O ATOM 0 H ASP A 77 -8.465 -21.948 6.545 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.036 -22.966 4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.652 -23.506 4.575 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.683 -22.268 3.336 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.233 -20.008 3.732 1.00 0.00 N ATOM 1242 CA ARG A 78 -8.924 -18.801 2.974 1.00 0.00 C ATOM 1243 C ARG A 78 -7.980 -17.891 3.754 1.00 0.00 C ATOM 1244 O ARG A 78 -8.403 -17.180 4.664 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.211 -18.048 2.630 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.209 -17.448 1.233 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.597 -16.984 0.821 1.00 0.00 C ATOM 1248 NE ARG A 78 -12.075 -15.878 1.648 1.00 0.00 N ATOM 1249 CZ ARG A 78 -12.820 -16.031 2.743 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -13.174 -17.242 3.155 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -13.210 -14.966 3.430 1.00 0.00 N ATOM 0 H ARG A 78 -10.087 -19.952 4.287 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.427 -19.100 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.057 -18.729 2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.362 -17.251 3.359 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.518 -16.606 1.199 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.845 -18.187 0.519 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.580 -16.674 -0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.294 -17.819 0.894 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.823 -14.930 1.370 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.876 -18.066 2.633 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.744 -17.349 3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.940 -14.032 3.120 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.780 -15.080 4.268 1.00 0.00 H new ATOM 1265 N HIS A 79 -6.700 -17.917 3.393 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.699 -17.096 4.060 1.00 0.00 C ATOM 1267 C HIS A 79 -5.508 -15.768 3.331 1.00 0.00 C ATOM 1268 O HIS A 79 -5.747 -15.667 2.127 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.372 -17.866 4.144 1.00 0.00 C ATOM 1270 CG HIS A 79 -3.158 -16.997 4.279 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -2.379 -16.623 3.204 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -2.587 -16.431 5.369 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -1.382 -15.867 3.626 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -1.486 -15.734 4.935 1.00 0.00 N ATOM 0 H HIS A 79 -6.333 -18.500 2.641 1.00 0.00 H new ATOM 0 HA HIS A 79 -6.044 -16.872 5.069 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.414 -18.545 4.995 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.266 -18.481 3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.933 -16.513 6.389 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.613 -15.432 3.006 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -0.851 -15.200 5.528 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.067 -14.756 4.070 1.00 0.00 N ATOM 1284 CA ILE A 80 -4.829 -13.437 3.511 1.00 0.00 C ATOM 1285 C ILE A 80 -3.424 -12.967 3.876 1.00 0.00 C ATOM 1286 O ILE A 80 -2.940 -13.236 4.976 1.00 0.00 O ATOM 1287 CB ILE A 80 -5.872 -12.416 4.020 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.396 -10.987 3.767 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.149 -12.628 5.502 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.523 -9.992 3.594 1.00 0.00 C ATOM 0 H ILE A 80 -4.866 -14.829 5.067 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.922 -13.506 2.427 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.799 -12.573 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.768 -10.670 4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.772 -10.974 2.874 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.886 -11.900 5.842 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.535 -13.635 5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.225 -12.501 6.067 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.108 -8.999 3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.139 -10.284 2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.135 -9.975 4.496 1.00 0.00 H new ATOM 1302 N THR A 81 -2.770 -12.266 2.957 1.00 0.00 N ATOM 1303 CA THR A 81 -1.425 -11.769 3.200 1.00 0.00 C ATOM 1304 C THR A 81 -1.296 -10.315 2.752 1.00 0.00 C ATOM 1305 O THR A 81 -1.466 -10.007 1.574 1.00 0.00 O ATOM 1306 CB THR A 81 -0.411 -12.636 2.452 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.067 -13.658 1.718 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.596 -13.301 3.360 1.00 0.00 C ATOM 0 H THR A 81 -3.150 -12.031 2.040 1.00 0.00 H new ATOM 0 HA THR A 81 -1.225 -11.818 4.270 1.00 0.00 H new ATOM 0 HB THR A 81 0.118 -11.950 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.414 -14.336 1.445 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.284 -13.900 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.155 -12.539 3.903 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.077 -13.945 4.070 1.00 0.00 H new ATOM 1316 N LEU A 82 -0.995 -9.425 3.690 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.845 -8.009 3.367 1.00 0.00 C ATOM 1318 C LEU A 82 0.583 -7.539 3.622 1.00 0.00 C ATOM 1319 O LEU A 82 1.041 -7.516 4.758 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.821 -7.170 4.195 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.275 -7.214 3.722 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.224 -7.060 4.901 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -3.531 -6.130 2.686 1.00 0.00 C ATOM 0 H LEU A 82 -0.851 -9.655 4.673 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.068 -7.880 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.781 -7.510 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.483 -6.134 4.187 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.457 -8.183 3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.254 -7.094 4.546 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.058 -7.871 5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.041 -6.105 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.570 -6.176 2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.331 -5.153 3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.875 -6.284 1.829 1.00 0.00 H new ATOM 1335 N TRP A 83 1.286 -7.165 2.558 1.00 0.00 N ATOM 1336 CA TRP A 83 2.663 -6.698 2.683 1.00 0.00 C ATOM 1337 C TRP A 83 2.751 -5.194 2.461 1.00 0.00 C ATOM 1338 O TRP A 83 2.363 -4.691 1.408 1.00 0.00 O ATOM 1339 CB TRP A 83 3.567 -7.415 1.678 1.00 0.00 C ATOM 1340 CG TRP A 83 3.691 -8.884 1.930 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.734 -9.708 2.442 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.838 -9.706 1.682 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.209 -10.990 2.525 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.500 -11.017 2.066 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.116 -9.461 1.171 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.394 -12.079 1.956 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 7.003 -10.516 1.063 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.638 -11.811 1.454 1.00 0.00 C ATOM 0 H TRP A 83 0.927 -7.176 1.603 1.00 0.00 H new ATOM 0 HA TRP A 83 2.999 -6.925 3.695 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.175 -7.259 0.673 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.559 -6.964 1.707 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.744 -9.395 2.739 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.687 -11.794 2.872 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.405 -8.466 0.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.115 -13.078 2.256 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 7.994 -10.339 0.671 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.354 -12.614 1.357 1.00 0.00 H new ATOM 1359 N PHE A 84 3.283 -4.481 3.448 1.00 0.00 N ATOM 1360 CA PHE A 84 3.438 -3.034 3.337 1.00 0.00 C ATOM 1361 C PHE A 84 4.886 -2.691 2.978 1.00 0.00 C ATOM 1362 O PHE A 84 5.820 -3.180 3.612 1.00 0.00 O ATOM 1363 CB PHE A 84 3.029 -2.316 4.636 1.00 0.00 C ATOM 1364 CG PHE A 84 1.541 -2.275 4.891 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.714 -3.306 4.468 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.967 -1.200 5.562 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.646 -3.267 4.705 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.393 -1.159 5.800 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.200 -2.193 5.372 1.00 0.00 C ATOM 0 H PHE A 84 3.612 -4.877 4.328 1.00 0.00 H new ATOM 0 HA PHE A 84 2.775 -2.686 2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.515 -2.810 5.477 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.407 -1.294 4.605 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.140 -4.150 3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.592 -0.387 5.901 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.276 -4.077 4.368 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.825 -0.317 6.321 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.263 -2.162 5.559 1.00 0.00 H new ATOM 1379 N TRP A 85 5.070 -1.854 1.958 1.00 0.00 N ATOM 1380 CA TRP A 85 6.410 -1.459 1.524 1.00 0.00 C ATOM 1381 C TRP A 85 6.711 -0.019 1.930 1.00 0.00 C ATOM 1382 O TRP A 85 5.983 0.899 1.552 1.00 0.00 O ATOM 1383 CB TRP A 85 6.544 -1.618 0.010 1.00 0.00 C ATOM 1384 CG TRP A 85 6.377 -3.034 -0.448 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.200 -3.700 -0.632 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.419 -3.960 -0.773 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.447 -4.984 -1.053 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.802 -5.168 -1.148 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.815 -3.885 -0.785 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.532 -6.291 -1.529 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.539 -5.000 -1.164 1.00 0.00 C ATOM 1392 CH2 TRP A 85 8.896 -6.189 -1.532 1.00 0.00 C ATOM 0 H TRP A 85 4.311 -1.437 1.418 1.00 0.00 H new ATOM 0 HA TRP A 85 7.133 -2.111 2.014 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.799 -0.993 -0.483 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.523 -1.254 -0.303 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.219 -3.279 -0.470 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.737 -5.686 -1.261 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.319 -2.972 -0.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.039 -7.209 -1.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.618 -4.954 -1.177 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.490 -7.043 -1.824 1.00 0.00 H new ATOM 1403 N LEU A 86 7.758 0.178 2.736 1.00 0.00 N ATOM 1404 CA LEU A 86 8.076 1.524 3.204 1.00 0.00 C ATOM 1405 C LEU A 86 8.810 2.354 2.146 1.00 0.00 C ATOM 1406 O LEU A 86 10.022 2.251 1.978 1.00 0.00 O ATOM 1407 CB LEU A 86 8.926 1.442 4.471 1.00 0.00 C ATOM 1408 CG LEU A 86 8.901 2.694 5.351 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.509 3.877 4.615 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.477 3.009 5.791 1.00 0.00 C ATOM 0 H LEU A 86 8.383 -0.556 3.069 1.00 0.00 H new ATOM 0 HA LEU A 86 7.131 2.025 3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.586 0.593 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.958 1.238 4.185 1.00 0.00 H new ATOM 0 HG LEU A 86 9.500 2.501 6.241 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.482 4.758 5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.542 3.650 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.939 4.072 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.478 3.902 6.416 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.855 3.181 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.078 2.169 6.360 1.00 0.00 H new ATOM 1422 N VAL A 87 8.040 3.185 1.454 1.00 0.00 N ATOM 1423 CA VAL A 87 8.545 4.066 0.397 1.00 0.00 C ATOM 1424 C VAL A 87 9.334 5.224 0.950 1.00 0.00 C ATOM 1425 O VAL A 87 9.052 5.714 2.044 1.00 0.00 O ATOM 1426 CB VAL A 87 7.414 4.633 -0.447 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.949 5.350 -1.677 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.456 3.520 -0.829 1.00 0.00 C ATOM 0 H VAL A 87 7.036 3.270 1.609 1.00 0.00 H new ATOM 0 HA VAL A 87 9.195 3.443 -0.217 1.00 0.00 H new ATOM 0 HB VAL A 87 6.873 5.373 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.116 5.744 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.596 6.171 -1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.519 4.650 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.646 3.928 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.989 2.761 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.043 3.070 0.074 1.00 0.00 H new ATOM 1438 N GLU A 88 10.339 5.649 0.200 1.00 0.00 N ATOM 1439 CA GLU A 88 11.167 6.748 0.655 1.00 0.00 C ATOM 1440 C GLU A 88 11.017 8.033 -0.173 1.00 0.00 C ATOM 1441 O GLU A 88 11.152 9.127 0.376 1.00 0.00 O ATOM 1442 CB GLU A 88 12.638 6.329 0.703 1.00 0.00 C ATOM 1443 CG GLU A 88 12.850 4.871 1.078 1.00 0.00 C ATOM 1444 CD GLU A 88 14.316 4.510 1.215 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.021 4.491 0.184 1.00 0.00 O ATOM 1446 OE2 GLU A 88 14.759 4.246 2.353 1.00 0.00 O ATOM 0 H GLU A 88 10.595 5.258 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 88 10.811 6.986 1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.090 6.513 -0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.162 6.959 1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.340 4.664 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.393 4.235 0.320 1.00 0.00 H new ATOM 1453 N ARG A 89 10.765 7.933 -1.481 1.00 0.00 N ATOM 1454 CA ARG A 89 10.643 9.142 -2.299 1.00 0.00 C ATOM 1455 C ARG A 89 9.963 8.857 -3.636 1.00 0.00 C ATOM 1456 O ARG A 89 9.859 7.705 -4.054 1.00 0.00 O ATOM 1457 CB ARG A 89 12.040 9.768 -2.493 1.00 0.00 C ATOM 1458 CG ARG A 89 12.325 10.339 -3.881 1.00 0.00 C ATOM 1459 CD ARG A 89 11.862 11.783 -3.998 1.00 0.00 C ATOM 1460 NE ARG A 89 12.984 12.720 -3.992 1.00 0.00 N ATOM 1461 CZ ARG A 89 13.767 12.945 -5.045 1.00 0.00 C ATOM 1462 NH1 ARG A 89 13.555 12.305 -6.188 1.00 0.00 N ATOM 1463 NH2 ARG A 89 14.764 13.815 -4.955 1.00 0.00 N ATOM 0 H ARG A 89 10.644 7.054 -1.985 1.00 0.00 H new ATOM 0 HA ARG A 89 10.004 9.855 -1.778 1.00 0.00 H new ATOM 0 HB2 ARG A 89 12.165 10.565 -1.760 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.791 9.010 -2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.394 10.281 -4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.822 9.733 -4.635 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.291 11.907 -4.918 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.190 12.016 -3.172 1.00 0.00 H new ATOM 0 HE ARG A 89 13.178 13.231 -3.131 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.789 11.636 -6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.158 12.482 -6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.930 14.311 -4.079 1.00 0.00 H new ATOM 0 HH22 ARG A 89 15.364 13.988 -5.761 1.00 0.00 H new ATOM 1477 N TRP A 90 9.527 9.920 -4.315 1.00 0.00 N ATOM 1478 CA TRP A 90 8.887 9.783 -5.618 1.00 0.00 C ATOM 1479 C TRP A 90 9.125 11.016 -6.487 1.00 0.00 C ATOM 1480 O TRP A 90 8.854 12.143 -6.072 1.00 0.00 O ATOM 1481 CB TRP A 90 7.388 9.496 -5.464 1.00 0.00 C ATOM 1482 CG TRP A 90 6.531 10.710 -5.275 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.200 11.640 -6.218 1.00 0.00 C ATOM 1484 CD2 TRP A 90 5.876 11.107 -4.070 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.379 12.595 -5.669 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.164 12.289 -4.351 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.823 10.577 -2.780 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.406 12.948 -3.387 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 5.070 11.232 -1.824 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.369 12.405 -2.132 1.00 0.00 C ATOM 0 H TRP A 90 9.607 10.881 -3.983 1.00 0.00 H new ATOM 0 HA TRP A 90 9.343 8.932 -6.124 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.043 8.959 -6.348 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.245 8.832 -4.612 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.534 11.627 -7.245 1.00 0.00 H new ATOM 0 HE1 TRP A 90 4.993 13.400 -6.162 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.360 9.673 -2.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.867 13.854 -3.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.021 10.832 -0.822 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.787 12.891 -1.363 1.00 0.00 H new ATOM 1501 N GLU A 91 9.641 10.792 -7.698 1.00 0.00 N ATOM 1502 CA GLU A 91 9.918 11.886 -8.622 1.00 0.00 C ATOM 1503 C GLU A 91 8.637 12.372 -9.292 1.00 0.00 C ATOM 1504 O GLU A 91 7.713 11.593 -9.526 1.00 0.00 O ATOM 1505 CB GLU A 91 10.925 11.440 -9.684 1.00 0.00 C ATOM 1506 CG GLU A 91 11.290 12.535 -10.674 1.00 0.00 C ATOM 1507 CD GLU A 91 11.907 13.746 -10.002 1.00 0.00 C ATOM 1508 OE1 GLU A 91 12.688 13.560 -9.045 1.00 0.00 O ATOM 1509 OE2 GLU A 91 11.611 14.880 -10.433 1.00 0.00 O ATOM 0 H GLU A 91 9.873 9.866 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 91 10.343 12.712 -8.051 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.832 11.092 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.513 10.591 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.989 12.137 -11.409 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.396 12.841 -11.217 1.00 0.00 H new ATOM 1516 N GLY A 92 8.589 13.666 -9.596 1.00 0.00 N ATOM 1517 CA GLY A 92 7.416 14.235 -10.236 1.00 0.00 C ATOM 1518 C GLY A 92 6.153 14.023 -9.425 1.00 0.00 C ATOM 1519 O GLY A 92 6.094 14.387 -8.250 1.00 0.00 O ATOM 0 H GLY A 92 9.341 14.330 -9.411 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.571 15.303 -10.388 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.291 13.787 -11.222 1.00 0.00 H new ATOM 1523 N GLU A 93 5.142 13.432 -10.052 1.00 0.00 N ATOM 1524 CA GLU A 93 3.874 13.171 -9.380 1.00 0.00 C ATOM 1525 C GLU A 93 3.488 11.697 -9.502 1.00 0.00 C ATOM 1526 O GLU A 93 3.670 11.089 -10.557 1.00 0.00 O ATOM 1527 CB GLU A 93 2.770 14.050 -9.971 1.00 0.00 C ATOM 1528 CG GLU A 93 1.429 13.895 -9.272 1.00 0.00 C ATOM 1529 CD GLU A 93 0.411 14.920 -9.732 1.00 0.00 C ATOM 1530 OE1 GLU A 93 0.205 15.044 -10.958 1.00 0.00 O ATOM 1531 OE2 GLU A 93 -0.180 15.600 -8.866 1.00 0.00 O ATOM 0 H GLU A 93 5.176 13.125 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 93 3.993 13.411 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.080 15.094 -9.917 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.650 13.807 -11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.040 12.894 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.572 13.988 -8.195 1.00 0.00 H new ATOM 1538 N PRO A 94 2.939 11.100 -8.427 1.00 0.00 N ATOM 1539 CA PRO A 94 2.520 9.699 -8.427 1.00 0.00 C ATOM 1540 C PRO A 94 1.211 9.515 -9.175 1.00 0.00 C ATOM 1541 O PRO A 94 0.237 10.219 -8.911 1.00 0.00 O ATOM 1542 CB PRO A 94 2.340 9.365 -6.934 1.00 0.00 C ATOM 1543 CG PRO A 94 2.792 10.579 -6.185 1.00 0.00 C ATOM 1544 CD PRO A 94 2.662 11.730 -7.136 1.00 0.00 C ATOM 0 HA PRO A 94 3.242 9.052 -8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.299 9.132 -6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.930 8.492 -6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.181 10.738 -5.296 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.823 10.467 -5.848 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.667 12.173 -7.105 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.372 12.526 -6.911 1.00 0.00 H new ATOM 1552 N TRP A 95 1.184 8.575 -10.111 1.00 0.00 N ATOM 1553 CA TRP A 95 -0.027 8.336 -10.878 1.00 0.00 C ATOM 1554 C TRP A 95 -0.369 6.857 -10.967 1.00 0.00 C ATOM 1555 O TRP A 95 -1.421 6.426 -10.496 1.00 0.00 O ATOM 1556 CB TRP A 95 0.092 8.921 -12.290 1.00 0.00 C ATOM 1557 CG TRP A 95 1.365 8.576 -13.022 1.00 0.00 C ATOM 1558 CD1 TRP A 95 2.537 9.271 -12.990 1.00 0.00 C ATOM 1559 CD2 TRP A 95 1.587 7.467 -13.910 1.00 0.00 C ATOM 1560 NE1 TRP A 95 3.467 8.681 -13.817 1.00 0.00 N ATOM 1561 CE2 TRP A 95 2.907 7.575 -14.393 1.00 0.00 C ATOM 1562 CE3 TRP A 95 0.799 6.397 -14.346 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 3.449 6.660 -15.293 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 1.341 5.487 -15.235 1.00 0.00 C ATOM 1565 CH2 TRP A 95 2.653 5.627 -15.704 1.00 0.00 C ATOM 0 H TRP A 95 1.973 7.976 -10.353 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.835 8.838 -10.346 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.755 8.574 -12.882 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.012 10.006 -12.225 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.712 10.158 -12.400 1.00 0.00 H new ATOM 0 HE1 TRP A 95 4.418 9.015 -13.974 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.216 6.283 -13.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.462 6.763 -15.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.742 4.654 -15.573 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.044 4.904 -16.405 1.00 0.00 H new ATOM 1576 N GLY A 96 0.521 6.092 -11.585 1.00 0.00 N ATOM 1577 CA GLY A 96 0.300 4.663 -11.751 1.00 0.00 C ATOM 1578 C GLY A 96 -1.146 4.315 -12.067 1.00 0.00 C ATOM 1579 O GLY A 96 -1.571 4.378 -13.221 1.00 0.00 O ATOM 0 H GLY A 96 1.398 6.435 -11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.940 4.293 -12.552 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.601 4.147 -10.839 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.897 3.949 -11.031 1.00 0.00 N ATOM 1584 CA LYS A 97 -3.305 3.585 -11.176 1.00 0.00 C ATOM 1585 C LYS A 97 -3.857 3.058 -9.853 1.00 0.00 C ATOM 1586 O LYS A 97 -4.594 2.072 -9.823 1.00 0.00 O ATOM 1587 CB LYS A 97 -3.481 2.528 -12.273 1.00 0.00 C ATOM 1588 CG LYS A 97 -4.596 2.849 -13.255 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.075 3.622 -14.456 1.00 0.00 C ATOM 1590 CE LYS A 97 -5.158 3.816 -15.505 1.00 0.00 C ATOM 1591 NZ LYS A 97 -6.237 4.724 -15.029 1.00 0.00 N ATOM 0 H LYS A 97 -1.550 3.896 -10.073 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.860 4.479 -11.461 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.544 2.426 -12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.685 1.564 -11.807 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -5.064 1.924 -13.591 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -5.368 3.432 -12.753 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.703 4.594 -14.131 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.232 3.089 -14.896 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.715 4.224 -16.413 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.587 2.849 -15.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.929 4.870 -15.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.712 4.298 -14.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.825 5.639 -14.755 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.485 3.717 -8.759 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.931 3.312 -7.430 1.00 0.00 C ATOM 1607 C GLU A 98 -5.353 3.790 -7.149 1.00 0.00 C ATOM 1608 O GLU A 98 -6.207 3.004 -6.736 1.00 0.00 O ATOM 1609 CB GLU A 98 -2.973 3.852 -6.365 1.00 0.00 C ATOM 1610 CG GLU A 98 -2.836 5.366 -6.377 1.00 0.00 C ATOM 1611 CD GLU A 98 -1.597 5.842 -5.645 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -0.593 5.100 -5.633 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -1.630 6.958 -5.086 1.00 0.00 O ATOM 0 H GLU A 98 -2.875 4.535 -8.767 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.931 2.223 -7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.321 3.535 -5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.990 3.406 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.802 5.716 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -3.719 5.811 -5.918 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.608 5.077 -7.371 1.00 0.00 N ATOM 1621 CA GLY A 99 -6.935 5.615 -7.128 1.00 0.00 C ATOM 1622 C GLY A 99 -7.006 7.123 -7.285 1.00 0.00 C ATOM 1623 O GLY A 99 -6.374 7.694 -8.173 1.00 0.00 O ATOM 0 H GLY A 99 -4.924 5.753 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.640 5.151 -7.817 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.250 5.346 -6.120 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.789 7.764 -6.420 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.961 9.214 -6.459 1.00 0.00 C ATOM 1629 C GLN A 100 -6.747 9.935 -5.889 1.00 0.00 C ATOM 1630 O GLN A 100 -6.400 9.768 -4.720 1.00 0.00 O ATOM 1631 CB GLN A 100 -9.218 9.618 -5.688 1.00 0.00 C ATOM 1632 CG GLN A 100 -10.424 8.738 -5.982 1.00 0.00 C ATOM 1633 CD GLN A 100 -11.063 8.184 -4.723 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -11.350 8.923 -3.782 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -11.290 6.876 -4.702 1.00 0.00 N ATOM 0 H GLN A 100 -8.316 7.299 -5.681 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.068 9.508 -7.503 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.005 9.583 -4.620 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -9.466 10.652 -5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.164 9.315 -6.537 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.118 7.912 -6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.036 6.301 -5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.719 6.446 -3.883 1.00 0.00 H new ATOM 1644 N PRO A 101 -6.086 10.755 -6.720 1.00 0.00 N ATOM 1645 CA PRO A 101 -4.901 11.517 -6.317 1.00 0.00 C ATOM 1646 C PRO A 101 -5.039 12.166 -4.940 1.00 0.00 C ATOM 1647 O PRO A 101 -5.989 12.904 -4.677 1.00 0.00 O ATOM 1648 CB PRO A 101 -4.831 12.585 -7.401 1.00 0.00 C ATOM 1649 CG PRO A 101 -5.330 11.898 -8.617 1.00 0.00 C ATOM 1650 CD PRO A 101 -6.438 11.004 -8.136 1.00 0.00 C ATOM 0 HA PRO A 101 -4.015 10.888 -6.228 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -5.447 13.449 -7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -3.812 12.948 -7.538 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -5.694 12.615 -9.353 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -4.539 11.322 -9.097 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.412 11.485 -8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -6.484 10.077 -8.708 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.073 11.884 -4.070 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.077 12.438 -2.726 1.00 0.00 C ATOM 1660 C GLY A 102 -3.010 13.505 -2.534 1.00 0.00 C ATOM 1661 O GLY A 102 -2.236 13.787 -3.448 1.00 0.00 O ATOM 0 H GLY A 102 -3.280 11.276 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.057 12.866 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.918 11.636 -2.005 1.00 0.00 H new ATOM 1665 N GLU A 103 -2.970 14.101 -1.345 1.00 0.00 N ATOM 1666 CA GLU A 103 -1.990 15.141 -1.040 1.00 0.00 C ATOM 1667 C GLU A 103 -0.935 14.627 -0.061 1.00 0.00 C ATOM 1668 O GLU A 103 -1.177 13.673 0.679 1.00 0.00 O ATOM 1669 CB GLU A 103 -2.688 16.374 -0.459 1.00 0.00 C ATOM 1670 CG GLU A 103 -2.254 17.680 -1.104 1.00 0.00 C ATOM 1671 CD GLU A 103 -1.880 18.739 -0.086 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -1.134 18.414 0.862 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -2.334 19.893 -0.235 1.00 0.00 O ATOM 0 H GLU A 103 -3.604 13.882 -0.577 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.491 15.419 -1.968 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.766 16.261 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.488 16.423 0.611 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.402 17.492 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.061 18.056 -1.733 1.00 0.00 H new ATOM 1680 N TRP A 104 0.237 15.264 -0.058 1.00 0.00 N ATOM 1681 CA TRP A 104 1.320 14.859 0.840 1.00 0.00 C ATOM 1682 C TRP A 104 0.903 15.067 2.295 1.00 0.00 C ATOM 1683 O TRP A 104 0.831 16.200 2.771 1.00 0.00 O ATOM 1684 CB TRP A 104 2.606 15.658 0.548 1.00 0.00 C ATOM 1685 CG TRP A 104 2.719 16.135 -0.871 1.00 0.00 C ATOM 1686 CD1 TRP A 104 2.469 15.413 -2.002 1.00 0.00 C ATOM 1687 CD2 TRP A 104 3.109 17.442 -1.307 1.00 0.00 C ATOM 1688 NE1 TRP A 104 2.681 16.190 -3.115 1.00 0.00 N ATOM 1689 CE2 TRP A 104 3.074 17.440 -2.714 1.00 0.00 C ATOM 1690 CE3 TRP A 104 3.484 18.614 -0.644 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 3.400 18.565 -3.469 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 3.808 19.730 -1.395 1.00 0.00 C ATOM 1693 CH2 TRP A 104 3.763 19.698 -2.794 1.00 0.00 C ATOM 0 H TRP A 104 0.460 16.056 -0.661 1.00 0.00 H new ATOM 0 HA TRP A 104 1.523 13.802 0.670 1.00 0.00 H new ATOM 0 HB2 TRP A 104 2.645 16.520 1.214 1.00 0.00 H new ATOM 0 HB3 TRP A 104 3.469 15.035 0.781 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.151 14.381 -2.019 1.00 0.00 H new ATOM 0 HE1 TRP A 104 2.565 15.886 -4.082 1.00 0.00 H new ATOM 0 HE3 TRP A 104 3.520 18.648 0.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 3.367 18.543 -4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 4.100 20.641 -0.894 1.00 0.00 H new ATOM 0 HH2 TRP A 104 4.020 20.586 -3.352 1.00 0.00 H new ATOM 1704 N MET A 105 0.622 13.969 2.997 1.00 0.00 N ATOM 1705 CA MET A 105 0.207 14.048 4.396 1.00 0.00 C ATOM 1706 C MET A 105 1.171 13.291 5.312 1.00 0.00 C ATOM 1707 O MET A 105 1.764 12.287 4.916 1.00 0.00 O ATOM 1708 CB MET A 105 -1.243 13.554 4.546 1.00 0.00 C ATOM 1709 CG MET A 105 -1.404 12.202 5.227 1.00 0.00 C ATOM 1710 SD MET A 105 -1.659 12.351 7.005 1.00 0.00 S ATOM 1711 CE MET A 105 -2.433 10.778 7.370 1.00 0.00 C ATOM 0 H MET A 105 0.674 13.022 2.623 1.00 0.00 H new ATOM 0 HA MET A 105 0.241 15.091 4.709 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.805 14.296 5.112 1.00 0.00 H new ATOM 0 HB3 MET A 105 -1.695 13.499 3.556 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.249 11.674 4.785 1.00 0.00 H new ATOM 0 HG3 MET A 105 -0.517 11.597 5.040 1.00 0.00 H new ATOM 0 HE1 MET A 105 -2.905 10.824 8.351 1.00 0.00 H new ATOM 0 HE2 MET A 105 -3.188 10.560 6.614 1.00 0.00 H new ATOM 0 HE3 MET A 105 -1.678 9.992 7.367 1.00 0.00 H new ATOM 1721 N SER A 106 1.329 13.796 6.535 1.00 0.00 N ATOM 1722 CA SER A 106 2.231 13.189 7.513 1.00 0.00 C ATOM 1723 C SER A 106 1.720 11.831 7.982 1.00 0.00 C ATOM 1724 O SER A 106 0.648 11.729 8.578 1.00 0.00 O ATOM 1725 CB SER A 106 2.405 14.120 8.715 1.00 0.00 C ATOM 1726 OG SER A 106 3.726 14.053 9.224 1.00 0.00 O ATOM 0 H SER A 106 0.842 14.626 6.873 1.00 0.00 H new ATOM 0 HA SER A 106 3.194 13.036 7.026 1.00 0.00 H new ATOM 0 HB2 SER A 106 2.176 15.145 8.422 1.00 0.00 H new ATOM 0 HB3 SER A 106 1.696 13.846 9.497 1.00 0.00 H new ATOM 0 HG SER A 106 3.812 14.658 9.990 1.00 0.00 H new ATOM 1732 N LEU A 107 2.502 10.790 7.716 1.00 0.00 N ATOM 1733 CA LEU A 107 2.134 9.431 8.114 1.00 0.00 C ATOM 1734 C LEU A 107 2.190 9.254 9.632 1.00 0.00 C ATOM 1735 O LEU A 107 1.620 8.307 10.175 1.00 0.00 O ATOM 1736 CB LEU A 107 3.050 8.409 7.438 1.00 0.00 C ATOM 1737 CG LEU A 107 2.331 7.232 6.769 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.799 6.264 7.817 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.200 7.727 5.871 1.00 0.00 C ATOM 0 H LEU A 107 3.394 10.859 7.227 1.00 0.00 H new ATOM 0 HA LEU A 107 1.107 9.263 7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.649 8.923 6.686 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.742 8.016 8.183 1.00 0.00 H new ATOM 0 HG LEU A 107 3.052 6.702 6.146 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.292 5.435 7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.628 5.880 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.096 6.783 8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.704 6.874 5.407 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.479 8.285 6.468 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.608 8.375 5.096 1.00 0.00 H new ATOM 1751 N VAL A 108 2.887 10.161 10.310 1.00 0.00 N ATOM 1752 CA VAL A 108 3.032 10.104 11.763 1.00 0.00 C ATOM 1753 C VAL A 108 1.695 9.867 12.466 1.00 0.00 C ATOM 1754 O VAL A 108 1.662 9.410 13.609 1.00 0.00 O ATOM 1755 CB VAL A 108 3.664 11.399 12.310 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.773 12.598 12.020 1.00 0.00 C ATOM 1757 CG2 VAL A 108 3.937 11.276 13.803 1.00 0.00 C ATOM 0 H VAL A 108 3.364 10.950 9.874 1.00 0.00 H new ATOM 0 HA VAL A 108 3.689 9.260 11.972 1.00 0.00 H new ATOM 0 HB VAL A 108 4.616 11.554 11.803 1.00 0.00 H new ATOM 0 HG11 VAL A 108 3.238 13.501 12.415 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.639 12.700 10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.802 12.453 12.494 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.383 12.201 14.169 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.001 11.091 14.330 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.623 10.448 13.980 1.00 0.00 H new ATOM 1767 N GLY A 109 0.597 10.180 11.785 1.00 0.00 N ATOM 1768 CA GLY A 109 -0.714 9.990 12.379 1.00 0.00 C ATOM 1769 C GLY A 109 -1.770 9.596 11.365 1.00 0.00 C ATOM 1770 O GLY A 109 -2.803 10.254 11.245 1.00 0.00 O ATOM 0 H GLY A 109 0.591 10.560 10.838 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.651 9.220 13.148 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.020 10.911 12.875 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.511 8.514 10.641 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.446 8.019 9.634 1.00 0.00 C ATOM 1776 C LEU A 110 -3.766 7.604 10.279 1.00 0.00 C ATOM 1777 O LEU A 110 -3.798 7.203 11.443 1.00 0.00 O ATOM 1778 CB LEU A 110 -1.837 6.836 8.882 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.703 6.275 7.755 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -1.844 5.531 6.746 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.787 5.365 8.317 1.00 0.00 C ATOM 0 H LEU A 110 -0.659 7.960 10.732 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.644 8.825 8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -0.878 7.144 8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.632 6.037 9.595 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.188 7.106 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.476 5.138 5.950 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.108 6.214 6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.331 4.707 7.242 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.394 4.975 7.500 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.324 4.536 8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.420 5.932 9.000 1.00 0.00 H new ATOM 1793 N ASN A 111 -4.860 7.716 9.525 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.179 7.367 10.041 1.00 0.00 C ATOM 1795 C ASN A 111 -6.749 6.117 9.378 1.00 0.00 C ATOM 1796 O ASN A 111 -7.073 6.121 8.190 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.141 8.543 9.859 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.583 9.141 11.180 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -7.637 10.360 11.336 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -7.901 8.282 12.142 1.00 0.00 N ATOM 0 H ASN A 111 -4.857 8.044 8.559 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.064 7.147 11.102 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.658 9.314 9.258 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.017 8.209 9.304 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.204 8.626 13.053 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.842 7.278 11.970 1.00 0.00 H new ATOM 1807 N ALA A 112 -6.888 5.052 10.166 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.441 3.798 9.672 1.00 0.00 C ATOM 1809 C ALA A 112 -8.947 3.929 9.436 1.00 0.00 C ATOM 1810 O ALA A 112 -9.558 3.098 8.769 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.158 2.663 10.647 1.00 0.00 C ATOM 0 H ALA A 112 -6.624 5.036 11.151 1.00 0.00 H new ATOM 0 HA ALA A 112 -6.959 3.567 8.722 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.580 1.736 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.081 2.548 10.769 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.611 2.891 11.612 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.545 4.977 10.000 1.00 0.00 N ATOM 1818 CA ASP A 113 -10.975 5.212 9.846 1.00 0.00 C ATOM 1819 C ASP A 113 -11.272 5.834 8.484 1.00 0.00 C ATOM 1820 O ASP A 113 -12.210 5.432 7.796 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.520 6.116 10.965 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.440 6.763 11.813 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.590 6.027 12.357 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.448 8.006 11.935 1.00 0.00 O ATOM 0 H ASP A 113 -9.061 5.674 10.566 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.476 4.246 9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.136 6.898 10.520 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.171 5.526 11.611 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.467 6.824 8.107 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.641 7.513 6.832 1.00 0.00 C ATOM 1831 C ASP A 114 -10.183 6.650 5.658 1.00 0.00 C ATOM 1832 O ASP A 114 -10.471 6.962 4.503 1.00 0.00 O ATOM 1833 CB ASP A 114 -9.877 8.836 6.836 1.00 0.00 C ATOM 1834 CG ASP A 114 -10.796 10.036 6.722 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.847 9.919 6.057 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -10.464 11.095 7.296 1.00 0.00 O ATOM 0 H ASP A 114 -9.687 7.167 8.667 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.706 7.711 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.295 8.913 7.755 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.168 8.845 6.008 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.467 5.568 5.951 1.00 0.00 N ATOM 1842 CA PHE A 115 -8.982 4.678 4.904 1.00 0.00 C ATOM 1843 C PHE A 115 -9.812 3.393 4.864 1.00 0.00 C ATOM 1844 O PHE A 115 -10.537 3.087 5.812 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.476 4.404 5.100 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.112 3.087 5.728 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.871 2.551 6.747 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -5.984 2.401 5.306 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.521 1.353 7.334 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.626 1.207 5.891 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.395 0.682 6.906 1.00 0.00 C ATOM 0 H PHE A 115 -9.212 5.289 6.898 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.101 5.160 3.933 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -6.988 4.465 4.127 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.061 5.202 5.715 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.750 3.076 7.090 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.379 2.808 4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.128 0.941 8.127 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.744 0.683 5.555 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.116 -0.254 7.366 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.733 2.627 3.763 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.496 1.384 3.613 1.00 0.00 C ATOM 1863 C PRO A 116 -10.251 0.409 4.764 1.00 0.00 C ATOM 1864 O PRO A 116 -9.107 0.159 5.142 1.00 0.00 O ATOM 1865 CB PRO A 116 -9.989 0.795 2.288 1.00 0.00 C ATOM 1866 CG PRO A 116 -8.738 1.544 1.976 1.00 0.00 C ATOM 1867 CD PRO A 116 -8.913 2.908 2.578 1.00 0.00 C ATOM 0 HA PRO A 116 -11.570 1.569 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -9.794 -0.273 2.382 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -10.728 0.916 1.496 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -7.867 1.041 2.396 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -8.580 1.610 0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -7.958 3.361 2.843 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.411 3.594 1.893 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.329 -0.158 5.338 1.00 0.00 N ATOM 1876 CA PRO A 117 -11.224 -1.110 6.450 1.00 0.00 C ATOM 1877 C PRO A 117 -10.572 -2.425 6.035 1.00 0.00 C ATOM 1878 O PRO A 117 -10.170 -3.222 6.883 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.680 -1.343 6.864 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.477 -1.021 5.649 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.732 0.081 4.950 1.00 0.00 C ATOM 0 HA PRO A 117 -10.596 -0.724 7.252 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.841 -2.373 7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.960 -0.704 7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.578 -1.894 5.005 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.485 -0.703 5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.864 0.033 3.869 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -13.076 1.065 5.270 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.474 -2.651 4.729 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.874 -3.874 4.211 1.00 0.00 C ATOM 1891 C ALA A 118 -8.412 -3.986 4.615 1.00 0.00 C ATOM 1892 O ALA A 118 -7.862 -5.084 4.691 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.013 -3.931 2.697 1.00 0.00 C ATOM 0 H ALA A 118 -10.802 -2.004 4.012 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.406 -4.720 4.646 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.560 -4.850 2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.069 -3.912 2.428 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.509 -3.072 2.253 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.786 -2.846 4.867 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.385 -2.815 5.258 1.00 0.00 C ATOM 1901 C ASN A 119 -6.227 -2.413 6.727 1.00 0.00 C ATOM 1902 O ASN A 119 -5.109 -2.260 7.219 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.638 -1.835 4.358 1.00 0.00 C ATOM 1904 CG ASN A 119 -4.610 -2.521 3.480 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -3.406 -2.343 3.658 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -5.083 -3.311 2.523 1.00 0.00 N ATOM 0 H ASN A 119 -8.227 -1.928 4.807 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.966 -3.815 5.144 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.354 -1.307 3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.142 -1.086 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -4.439 -3.799 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -6.090 -3.430 2.411 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.353 -2.239 7.419 1.00 0.00 N ATOM 1914 CA GLU A 120 -7.348 -1.848 8.828 1.00 0.00 C ATOM 1915 C GLU A 120 -6.525 -2.801 9.701 1.00 0.00 C ATOM 1916 O GLU A 120 -5.898 -2.365 10.660 1.00 0.00 O ATOM 1917 CB GLU A 120 -8.781 -1.772 9.361 1.00 0.00 C ATOM 1918 CG GLU A 120 -9.074 -0.505 10.148 1.00 0.00 C ATOM 1919 CD GLU A 120 -10.450 0.059 9.853 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -11.328 -0.715 9.418 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -10.649 1.275 10.058 1.00 0.00 O ATOM 0 H GLU A 120 -8.285 -2.364 7.024 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.878 -0.866 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -9.475 -1.837 8.523 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.969 -2.636 9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -8.993 -0.717 11.214 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -8.320 0.246 9.914 1.00 0.00 H new ATOM 1928 N PRO A 121 -6.529 -4.116 9.416 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.791 -5.093 10.225 1.00 0.00 C ATOM 1930 C PRO A 121 -4.376 -4.657 10.601 1.00 0.00 C ATOM 1931 O PRO A 121 -3.994 -4.717 11.770 1.00 0.00 O ATOM 1932 CB PRO A 121 -5.721 -6.297 9.298 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.994 -6.238 8.532 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.274 -4.774 8.318 1.00 0.00 C ATOM 0 HA PRO A 121 -6.283 -5.260 11.183 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -4.855 -6.242 8.638 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -5.636 -7.228 9.859 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.903 -6.762 7.581 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.805 -6.715 9.083 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.928 -4.438 7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.341 -4.557 8.371 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.596 -4.230 9.615 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.222 -3.800 9.868 1.00 0.00 C ATOM 1944 C VAL A 122 -2.177 -2.389 10.440 1.00 0.00 C ATOM 1945 O VAL A 122 -1.564 -2.146 11.480 1.00 0.00 O ATOM 1946 CB VAL A 122 -1.345 -3.841 8.590 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -0.085 -4.656 8.831 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -2.111 -4.383 7.389 1.00 0.00 C ATOM 0 H VAL A 122 -3.887 -4.172 8.639 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.820 -4.507 10.594 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.061 -2.814 8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 122 0.517 -4.673 7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 122 0.491 -4.205 9.639 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -0.358 -5.675 9.104 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.458 -4.394 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -2.450 -5.397 7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.973 -3.746 7.190 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.823 -1.462 9.744 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.859 -0.067 10.160 1.00 0.00 C ATOM 1960 C ILE A 123 -3.487 0.082 11.537 1.00 0.00 C ATOM 1961 O ILE A 123 -3.155 0.994 12.278 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.617 0.800 9.135 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.798 0.907 7.846 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.910 2.183 9.703 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.915 2.136 7.787 1.00 0.00 C ATOM 0 H ILE A 123 -3.333 -1.654 8.882 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.828 0.282 10.213 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.572 0.325 8.911 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.175 0.018 7.747 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.478 0.917 6.994 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.445 2.775 8.961 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.522 2.086 10.600 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.973 2.679 9.955 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.365 2.144 6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.533 3.031 7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.210 2.118 8.619 1.00 0.00 H new ATOM 1977 N ALA A 124 -4.382 -0.829 11.875 1.00 0.00 N ATOM 1978 CA ALA A 124 -5.031 -0.795 13.178 1.00 0.00 C ATOM 1979 C ALA A 124 -3.974 -0.825 14.275 1.00 0.00 C ATOM 1980 O ALA A 124 -3.997 -0.020 15.207 1.00 0.00 O ATOM 1981 CB ALA A 124 -5.996 -1.962 13.331 1.00 0.00 C ATOM 0 H ALA A 124 -4.676 -1.597 11.272 1.00 0.00 H new ATOM 0 HA ALA A 124 -5.606 0.127 13.263 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -6.469 -1.917 14.312 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -6.761 -1.906 12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.450 -2.901 13.235 1.00 0.00 H new ATOM 1987 N LYS A 125 -3.070 -1.792 14.166 1.00 0.00 N ATOM 1988 CA LYS A 125 -2.018 -1.975 15.159 1.00 0.00 C ATOM 1989 C LYS A 125 -1.229 -0.688 15.370 1.00 0.00 C ATOM 1990 O LYS A 125 -1.001 -0.274 16.506 1.00 0.00 O ATOM 1991 CB LYS A 125 -1.075 -3.101 14.732 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.469 -3.864 15.900 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.565 -5.368 15.697 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.892 -5.914 16.198 1.00 0.00 C ATOM 1995 NZ LYS A 125 -2.898 -6.018 15.105 1.00 0.00 N ATOM 0 H LYS A 125 -3.045 -2.463 13.398 1.00 0.00 H new ATOM 0 HA LYS A 125 -2.492 -2.243 16.103 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.620 -3.799 14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -0.271 -2.681 14.127 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.576 -3.578 16.019 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.982 -3.587 16.821 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.451 -5.601 14.638 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.254 -5.860 16.222 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.736 -6.897 16.642 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.277 -5.266 16.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.719 -6.562 15.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -3.205 -5.065 14.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.473 -6.500 14.287 1.00 0.00 H new ATOM 2009 N LEU A 126 -0.815 -0.057 14.281 1.00 0.00 N ATOM 2010 CA LEU A 126 -0.052 1.188 14.366 1.00 0.00 C ATOM 2011 C LEU A 126 -0.975 2.366 14.658 1.00 0.00 C ATOM 2012 O LEU A 126 -0.720 3.166 15.552 1.00 0.00 O ATOM 2013 CB LEU A 126 0.712 1.433 13.063 1.00 0.00 C ATOM 2014 CG LEU A 126 2.109 2.032 13.235 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.155 0.931 13.311 1.00 0.00 C ATOM 2016 CD2 LEU A 126 2.422 2.989 12.094 1.00 0.00 C ATOM 0 H LEU A 126 -0.992 -0.382 13.330 1.00 0.00 H new ATOM 0 HA LEU A 126 0.663 1.095 15.184 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.802 0.487 12.529 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.122 2.100 12.434 1.00 0.00 H new ATOM 0 HG LEU A 126 2.132 2.592 14.170 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.143 1.375 13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.941 0.283 14.161 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.133 0.344 12.393 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.420 3.406 12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.381 2.451 11.147 1.00 0.00 H new ATOM 0 HD23 LEU A 126 1.689 3.796 12.085 1.00 0.00 H new ATOM 2028 N LYS A 127 -2.040 2.470 13.880 1.00 0.00 N ATOM 2029 CA LYS A 127 -3.007 3.551 14.031 1.00 0.00 C ATOM 2030 C LYS A 127 -3.465 3.668 15.473 1.00 0.00 C ATOM 2031 O LYS A 127 -3.636 4.767 15.999 1.00 0.00 O ATOM 2032 CB LYS A 127 -4.214 3.294 13.144 1.00 0.00 C ATOM 2033 CG LYS A 127 -5.356 4.277 13.355 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.698 3.568 13.447 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.204 3.514 14.880 1.00 0.00 C ATOM 2036 NZ LYS A 127 -8.468 2.735 14.995 1.00 0.00 N ATOM 0 H LYS A 127 -2.260 1.814 13.131 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.523 4.482 13.737 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.901 3.335 12.101 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -4.579 2.284 13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -5.182 4.847 14.268 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.378 4.992 12.532 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -7.427 4.084 12.822 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -6.603 2.555 13.055 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.442 3.065 15.517 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.368 4.528 15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.779 2.723 15.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -9.203 3.177 14.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -8.306 1.760 14.671 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.649 2.522 16.111 1.00 0.00 N ATOM 2051 CA ARG A 128 -4.073 2.490 17.498 1.00 0.00 C ATOM 2052 C ARG A 128 -3.008 3.127 18.387 1.00 0.00 C ATOM 2053 O ARG A 128 -3.235 3.351 19.576 1.00 0.00 O ATOM 2054 CB ARG A 128 -4.343 1.048 17.931 1.00 0.00 C ATOM 2055 CG ARG A 128 -4.583 0.886 19.424 1.00 0.00 C ATOM 2056 CD ARG A 128 -4.932 -0.551 19.778 1.00 0.00 C ATOM 2057 NE ARG A 128 -4.931 -0.776 21.221 1.00 0.00 N ATOM 2058 CZ ARG A 128 -4.910 -1.982 21.784 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -4.890 -3.074 21.028 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -4.909 -2.098 23.104 1.00 0.00 N ATOM 0 H ARG A 128 -3.511 1.604 15.689 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.996 3.061 17.601 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -5.213 0.674 17.391 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -3.496 0.427 17.640 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -3.692 1.191 19.972 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -5.392 1.546 19.738 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -5.914 -0.795 19.374 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -4.217 -1.224 19.306 1.00 0.00 H new ATOM 0 HE ARG A 128 -4.947 0.039 21.834 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -4.891 -2.991 20.011 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -4.874 -3.996 21.464 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -4.924 -1.263 23.689 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -4.893 -3.022 23.535 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.847 3.428 17.802 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.763 4.053 18.558 1.00 0.00 C ATOM 2076 C LEU A 129 -1.021 5.549 18.729 1.00 0.00 C ATOM 2077 O LEU A 129 -2.091 5.957 19.182 1.00 0.00 O ATOM 2078 CB LEU A 129 0.593 3.808 17.877 1.00 0.00 C ATOM 2079 CG LEU A 129 1.254 5.042 17.261 1.00 0.00 C ATOM 2080 CD1 LEU A 129 2.665 4.717 16.795 1.00 0.00 C ATOM 2081 CD2 LEU A 129 0.419 5.585 16.109 1.00 0.00 C ATOM 0 H LEU A 129 -1.636 3.252 16.820 1.00 0.00 H new ATOM 0 HA LEU A 129 -0.730 3.596 19.547 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.276 3.380 18.611 1.00 0.00 H new ATOM 0 HB3 LEU A 129 0.457 3.062 17.094 1.00 0.00 H new ATOM 0 HG LEU A 129 1.315 5.814 18.028 1.00 0.00 H new ATOM 0 HD11 LEU A 129 3.119 5.607 16.360 1.00 0.00 H new ATOM 0 HD12 LEU A 129 3.261 4.384 17.645 1.00 0.00 H new ATOM 0 HD13 LEU A 129 2.628 3.926 16.046 1.00 0.00 H new ATOM 0 HD21 LEU A 129 0.909 6.462 15.687 1.00 0.00 H new ATOM 0 HD22 LEU A 129 0.319 4.819 15.340 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.569 5.862 16.475 1.00 0.00 H new