USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 914 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 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.125) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 154:sc= 0.121 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 99:sc= 1.15 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0669 X(o=-0.067,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.05 K(o=-2.1,f=-5.7!) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -167:sc= 0.0635 (180deg=0.033) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.248 X(o=-0.25,f=-0.037) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= -0.0397 (180deg=-0.0397) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= -0.266 K(o=-0.27,f=-2.6!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 6 -8.467 -14.833 -9.250 1.00 0.00 N ATOM 78 CA ILE A 6 -7.746 -13.577 -9.076 1.00 0.00 C ATOM 79 C ILE A 6 -8.715 -12.403 -8.985 1.00 0.00 C ATOM 80 O ILE A 6 -9.546 -12.204 -9.870 1.00 0.00 O ATOM 81 CB ILE A 6 -6.763 -13.327 -10.237 1.00 0.00 C ATOM 82 CG1 ILE A 6 -5.987 -14.604 -10.567 1.00 0.00 C ATOM 83 CG2 ILE A 6 -5.807 -12.196 -9.888 1.00 0.00 C ATOM 84 CD1 ILE A 6 -6.713 -15.521 -11.527 1.00 0.00 C ATOM 0 HA ILE A 6 -7.183 -13.658 -8.146 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.335 -13.036 -11.118 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.022 -14.333 -10.996 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.784 -15.145 -9.643 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.119 -12.032 -10.718 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.375 -11.284 -9.701 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.241 -12.461 -8.995 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.105 -16.406 -11.716 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.666 -15.822 -11.092 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.892 -14.997 -12.466 1.00 0.00 H new ATOM 96 N ILE A 7 -8.606 -11.629 -7.909 1.00 0.00 N ATOM 97 CA ILE A 7 -9.481 -10.479 -7.709 1.00 0.00 C ATOM 98 C ILE A 7 -8.677 -9.194 -7.513 1.00 0.00 C ATOM 99 O ILE A 7 -7.802 -9.125 -6.647 1.00 0.00 O ATOM 100 CB ILE A 7 -10.403 -10.671 -6.491 1.00 0.00 C ATOM 101 CG1 ILE A 7 -10.893 -12.119 -6.406 1.00 0.00 C ATOM 102 CG2 ILE A 7 -11.582 -9.712 -6.565 1.00 0.00 C ATOM 103 CD1 ILE A 7 -11.763 -12.531 -7.573 1.00 0.00 C ATOM 0 H ILE A 7 -7.924 -11.776 -7.165 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.088 -10.396 -8.610 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.832 -10.451 -5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.031 -12.784 -6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.454 -12.251 -5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.225 -9.859 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.216 -8.685 -6.576 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -12.150 -9.904 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -12.074 -13.568 -7.447 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -12.644 -11.891 -7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.199 -12.432 -8.500 1.00 0.00 H new ATOM 115 N PRO A 8 -8.973 -8.151 -8.314 1.00 0.00 N ATOM 116 CA PRO A 8 -8.283 -6.863 -8.224 1.00 0.00 C ATOM 117 C PRO A 8 -8.799 -6.013 -7.069 1.00 0.00 C ATOM 118 O PRO A 8 -9.999 -5.761 -6.963 1.00 0.00 O ATOM 119 CB PRO A 8 -8.613 -6.204 -9.560 1.00 0.00 C ATOM 120 CG PRO A 8 -9.957 -6.740 -9.915 1.00 0.00 C ATOM 121 CD PRO A 8 -10.009 -8.143 -9.369 1.00 0.00 C ATOM 0 HA PRO A 8 -7.215 -6.977 -8.037 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.628 -5.117 -9.474 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.872 -6.453 -10.320 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.747 -6.125 -9.484 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.104 -6.737 -10.995 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.993 -8.378 -8.964 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.798 -8.881 -10.143 1.00 0.00 H new ATOM 129 N ILE A 9 -7.889 -5.560 -6.212 1.00 0.00 N ATOM 130 CA ILE A 9 -8.257 -4.732 -5.084 1.00 0.00 C ATOM 131 C ILE A 9 -7.419 -3.463 -5.050 1.00 0.00 C ATOM 132 O ILE A 9 -6.203 -3.479 -5.254 1.00 0.00 O ATOM 133 CB ILE A 9 -8.114 -5.452 -3.725 1.00 0.00 C ATOM 134 CG1 ILE A 9 -8.194 -6.975 -3.883 1.00 0.00 C ATOM 135 CG2 ILE A 9 -9.189 -4.967 -2.764 1.00 0.00 C ATOM 136 CD1 ILE A 9 -7.433 -7.732 -2.818 1.00 0.00 C ATOM 0 H ILE A 9 -6.891 -5.757 -6.283 1.00 0.00 H new ATOM 0 HA ILE A 9 -9.311 -4.492 -5.228 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.131 -5.211 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.240 -7.281 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.805 -7.252 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.081 -5.480 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.084 -3.893 -2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.173 -5.181 -3.181 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.533 -8.803 -2.992 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.380 -7.455 -2.857 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.837 -7.484 -1.836 1.00 0.00 H new ATOM 148 N ALA A 10 -8.097 -2.378 -4.777 1.00 0.00 N ATOM 149 CA ALA A 10 -7.490 -1.053 -4.684 1.00 0.00 C ATOM 150 C ALA A 10 -7.036 -0.542 -6.048 1.00 0.00 C ATOM 151 O ALA A 10 -6.781 -1.322 -6.965 1.00 0.00 O ATOM 152 CB ALA A 10 -6.326 -1.069 -3.708 1.00 0.00 C ATOM 0 H ALA A 10 -9.103 -2.379 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.252 -0.368 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.885 -0.074 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.682 -1.365 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.574 -1.780 -4.050 1.00 0.00 H new ATOM 158 N GLU A 11 -6.938 0.779 -6.166 1.00 0.00 N ATOM 159 CA GLU A 11 -6.515 1.416 -7.408 1.00 0.00 C ATOM 160 C GLU A 11 -6.026 2.837 -7.139 1.00 0.00 C ATOM 161 O GLU A 11 -6.704 3.619 -6.472 1.00 0.00 O ATOM 162 CB GLU A 11 -7.667 1.441 -8.414 1.00 0.00 C ATOM 163 CG GLU A 11 -8.919 2.126 -7.891 1.00 0.00 C ATOM 164 CD GLU A 11 -8.898 3.626 -8.114 1.00 0.00 C ATOM 165 OE1 GLU A 11 -8.715 4.051 -9.275 1.00 0.00 O ATOM 166 OE2 GLU A 11 -9.065 4.375 -7.129 1.00 0.00 O ATOM 0 H GLU A 11 -7.147 1.432 -5.411 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.694 0.836 -7.829 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.336 1.950 -9.319 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.914 0.417 -8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.794 1.701 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.022 1.922 -6.825 1.00 0.00 H new ATOM 173 N ASN A 12 -4.846 3.165 -7.655 1.00 0.00 N ATOM 174 CA ASN A 12 -4.274 4.493 -7.459 1.00 0.00 C ATOM 175 C ASN A 12 -3.544 4.974 -8.710 1.00 0.00 C ATOM 176 O ASN A 12 -3.465 4.261 -9.710 1.00 0.00 O ATOM 177 CB ASN A 12 -3.315 4.484 -6.265 1.00 0.00 C ATOM 178 CG ASN A 12 -3.679 5.525 -5.224 1.00 0.00 C ATOM 179 OD1 ASN A 12 -4.653 5.371 -4.488 1.00 0.00 O ATOM 180 ND2 ASN A 12 -2.894 6.595 -5.158 1.00 0.00 N ATOM 0 H ASN A 12 -4.269 2.533 -8.210 1.00 0.00 H new ATOM 0 HA ASN A 12 -5.093 5.184 -7.259 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -3.321 3.496 -5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.299 4.665 -6.617 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.089 7.329 -4.477 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.096 6.682 -5.788 1.00 0.00 H new ATOM 187 N LYS A 13 -3.014 6.191 -8.642 1.00 0.00 N ATOM 188 CA LYS A 13 -2.289 6.780 -9.762 1.00 0.00 C ATOM 189 C LYS A 13 -1.732 8.149 -9.382 1.00 0.00 C ATOM 190 O LYS A 13 -1.729 9.078 -10.190 1.00 0.00 O ATOM 191 CB LYS A 13 -3.207 6.909 -10.979 1.00 0.00 C ATOM 192 CG LYS A 13 -2.457 7.039 -12.295 1.00 0.00 C ATOM 193 CD LYS A 13 -3.413 7.189 -13.468 1.00 0.00 C ATOM 194 CE LYS A 13 -3.747 8.648 -13.731 1.00 0.00 C ATOM 195 NZ LYS A 13 -5.053 9.036 -13.129 1.00 0.00 N ATOM 0 H LYS A 13 -3.074 6.791 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.456 6.123 -10.014 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.859 6.037 -11.026 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.849 7.780 -10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.793 7.902 -12.253 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.829 6.161 -12.446 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.967 6.750 -14.361 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.330 6.636 -13.265 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.958 9.280 -13.324 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.776 8.826 -14.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.375 9.933 -13.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.757 8.294 -13.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.941 9.153 -12.102 1.00 0.00 H new ATOM 209 N GLU A 14 -1.265 8.265 -8.143 1.00 0.00 N ATOM 210 CA GLU A 14 -0.708 9.518 -7.644 1.00 0.00 C ATOM 211 C GLU A 14 0.626 9.834 -8.313 1.00 0.00 C ATOM 212 O GLU A 14 0.840 10.944 -8.800 1.00 0.00 O ATOM 213 CB GLU A 14 -0.526 9.448 -6.127 1.00 0.00 C ATOM 214 CG GLU A 14 -0.548 10.808 -5.448 1.00 0.00 C ATOM 215 CD GLU A 14 -0.057 10.751 -4.015 1.00 0.00 C ATOM 216 OE1 GLU A 14 -0.235 9.697 -3.368 1.00 0.00 O ATOM 217 OE2 GLU A 14 0.505 11.759 -3.539 1.00 0.00 O ATOM 0 H GLU A 14 -1.261 7.504 -7.464 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.409 10.317 -7.886 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.315 8.827 -5.703 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.421 8.956 -5.905 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.073 11.503 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.564 11.202 -5.465 1.00 0.00 H new ATOM 224 N ALA A 15 1.525 8.853 -8.327 1.00 0.00 N ATOM 225 CA ALA A 15 2.844 9.029 -8.930 1.00 0.00 C ATOM 226 C ALA A 15 2.741 9.614 -10.336 1.00 0.00 C ATOM 227 O ALA A 15 3.329 10.652 -10.638 1.00 0.00 O ATOM 228 CB ALA A 15 3.588 7.702 -8.963 1.00 0.00 C ATOM 0 H ALA A 15 1.364 7.928 -7.928 1.00 0.00 H new ATOM 0 HA ALA A 15 3.402 9.735 -8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.569 7.846 -9.415 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.708 7.327 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.020 6.981 -9.551 1.00 0.00 H new ATOM 234 N LYS A 16 1.985 8.942 -11.194 1.00 0.00 N ATOM 235 CA LYS A 16 1.801 9.391 -12.571 1.00 0.00 C ATOM 236 C LYS A 16 1.429 10.872 -12.623 1.00 0.00 C ATOM 237 O LYS A 16 2.018 11.643 -13.381 1.00 0.00 O ATOM 238 CB LYS A 16 0.719 8.559 -13.261 1.00 0.00 C ATOM 239 CG LYS A 16 0.796 8.603 -14.779 1.00 0.00 C ATOM 240 CD LYS A 16 -0.589 8.634 -15.406 1.00 0.00 C ATOM 241 CE LYS A 16 -0.513 8.759 -16.920 1.00 0.00 C ATOM 242 NZ LYS A 16 -0.903 10.119 -17.385 1.00 0.00 N ATOM 0 H LYS A 16 1.488 8.082 -10.962 1.00 0.00 H new ATOM 0 HA LYS A 16 2.747 9.256 -13.096 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.802 7.524 -12.931 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.261 8.917 -12.944 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.358 9.484 -15.091 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.342 7.732 -15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.130 7.725 -15.142 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.155 9.472 -14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.502 8.539 -17.252 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.167 8.017 -17.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.838 10.163 -18.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.880 10.320 -17.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.264 10.825 -16.968 1.00 0.00 H new ATOM 256 N ALA A 17 0.444 11.262 -11.819 1.00 0.00 N ATOM 257 CA ALA A 17 -0.011 12.649 -11.778 1.00 0.00 C ATOM 258 C ALA A 17 1.156 13.624 -11.622 1.00 0.00 C ATOM 259 O ALA A 17 1.483 14.363 -12.550 1.00 0.00 O ATOM 260 CB ALA A 17 -1.011 12.839 -10.648 1.00 0.00 C ATOM 0 H ALA A 17 -0.055 10.637 -11.186 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.497 12.867 -12.729 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.343 13.877 -10.627 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.869 12.186 -10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.538 12.590 -9.698 1.00 0.00 H new ATOM 266 N LYS A 18 1.777 13.628 -10.445 1.00 0.00 N ATOM 267 CA LYS A 18 2.902 14.524 -10.180 1.00 0.00 C ATOM 268 C LYS A 18 4.124 13.752 -9.688 1.00 0.00 C ATOM 269 O LYS A 18 5.129 13.651 -10.393 1.00 0.00 O ATOM 270 CB LYS A 18 2.505 15.584 -9.151 1.00 0.00 C ATOM 271 CG LYS A 18 3.330 16.857 -9.240 1.00 0.00 C ATOM 272 CD LYS A 18 2.897 17.722 -10.414 1.00 0.00 C ATOM 273 CE LYS A 18 4.093 18.219 -11.212 1.00 0.00 C ATOM 274 NZ LYS A 18 3.768 18.383 -12.655 1.00 0.00 N ATOM 0 H LYS A 18 1.523 13.025 -9.663 1.00 0.00 H new ATOM 0 HA LYS A 18 3.165 15.014 -11.117 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.452 15.833 -9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.608 15.164 -8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.229 17.422 -8.314 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.385 16.602 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.237 17.149 -11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.324 18.574 -10.048 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.430 19.172 -10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.919 17.516 -11.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.609 18.723 -13.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.471 17.468 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.997 19.073 -12.761 1.00 0.00 H new ATOM 288 N TYR A 19 4.032 13.212 -8.473 1.00 0.00 N ATOM 289 CA TYR A 19 5.122 12.449 -7.873 1.00 0.00 C ATOM 290 C TYR A 19 5.757 11.510 -8.890 1.00 0.00 C ATOM 291 O TYR A 19 5.181 10.489 -9.258 1.00 0.00 O ATOM 292 CB TYR A 19 4.609 11.651 -6.673 1.00 0.00 C ATOM 293 CG TYR A 19 4.282 12.506 -5.470 1.00 0.00 C ATOM 294 CD1 TYR A 19 5.286 12.966 -4.627 1.00 0.00 C ATOM 295 CD2 TYR A 19 2.969 12.851 -5.176 1.00 0.00 C ATOM 296 CE1 TYR A 19 4.991 13.747 -3.526 1.00 0.00 C ATOM 297 CE2 TYR A 19 2.666 13.632 -4.077 1.00 0.00 C ATOM 298 CZ TYR A 19 3.680 14.077 -3.255 1.00 0.00 C ATOM 299 OH TYR A 19 3.382 14.855 -2.160 1.00 0.00 O ATOM 0 H TYR A 19 3.205 13.291 -7.882 1.00 0.00 H new ATOM 0 HA TYR A 19 5.883 13.153 -7.536 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.717 11.100 -6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.360 10.914 -6.390 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.314 12.709 -4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 19 2.172 12.503 -5.817 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.783 14.097 -2.881 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.640 13.893 -3.863 1.00 0.00 H new ATOM 0 HH TYR A 19 2.413 14.996 -2.113 1.00 0.00 H new ATOM 309 N ASP A 20 6.940 11.873 -9.351 1.00 0.00 N ATOM 310 CA ASP A 20 7.649 11.068 -10.338 1.00 0.00 C ATOM 311 C ASP A 20 8.176 9.786 -9.707 1.00 0.00 C ATOM 312 O ASP A 20 8.906 9.827 -8.715 1.00 0.00 O ATOM 313 CB ASP A 20 8.804 11.868 -10.946 1.00 0.00 C ATOM 314 CG ASP A 20 8.829 11.788 -12.460 1.00 0.00 C ATOM 315 OD1 ASP A 20 8.904 10.661 -12.994 1.00 0.00 O ATOM 316 OD2 ASP A 20 8.774 12.852 -13.112 1.00 0.00 O ATOM 0 H ASP A 20 7.432 12.718 -9.061 1.00 0.00 H new ATOM 0 HA ASP A 20 6.949 10.802 -11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.720 12.911 -10.641 1.00 0.00 H new ATOM 0 HB3 ASP A 20 9.749 11.496 -10.550 1.00 0.00 H new ATOM 321 N ILE A 21 7.795 8.653 -10.292 1.00 0.00 N ATOM 322 CA ILE A 21 8.212 7.349 -9.793 1.00 0.00 C ATOM 323 C ILE A 21 9.619 6.989 -10.264 1.00 0.00 C ATOM 324 O ILE A 21 10.032 7.361 -11.363 1.00 0.00 O ATOM 325 CB ILE A 21 7.234 6.244 -10.242 1.00 0.00 C ATOM 326 CG1 ILE A 21 7.623 4.900 -9.621 1.00 0.00 C ATOM 327 CG2 ILE A 21 7.205 6.144 -11.760 1.00 0.00 C ATOM 328 CD1 ILE A 21 6.705 3.763 -10.017 1.00 0.00 C ATOM 0 H ILE A 21 7.195 8.614 -11.116 1.00 0.00 H new ATOM 0 HA ILE A 21 8.210 7.415 -8.705 1.00 0.00 H new ATOM 0 HB ILE A 21 6.234 6.506 -9.896 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.642 4.653 -9.918 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.621 4.996 -8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 21 6.510 5.360 -12.060 1.00 0.00 H new ATOM 0 HG22 ILE A 21 6.882 7.096 -12.181 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.203 5.905 -12.128 1.00 0.00 H new ATOM 0 HD11 ILE A 21 7.040 2.842 -9.541 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.688 3.988 -9.696 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.725 3.640 -11.100 1.00 0.00 H new ATOM 340 N LEU A 22 10.345 6.253 -9.427 1.00 0.00 N ATOM 341 CA LEU A 22 11.702 5.828 -9.753 1.00 0.00 C ATOM 342 C LEU A 22 11.866 4.329 -9.521 1.00 0.00 C ATOM 343 O LEU A 22 12.066 3.561 -10.462 1.00 0.00 O ATOM 344 CB LEU A 22 12.719 6.603 -8.913 1.00 0.00 C ATOM 345 CG LEU A 22 14.072 6.842 -9.590 1.00 0.00 C ATOM 346 CD1 LEU A 22 14.399 8.327 -9.629 1.00 0.00 C ATOM 347 CD2 LEU A 22 15.172 6.071 -8.874 1.00 0.00 C ATOM 0 H LEU A 22 10.014 5.938 -8.515 1.00 0.00 H new ATOM 0 HA LEU A 22 11.882 6.038 -10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.288 7.568 -8.647 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.886 6.061 -7.982 1.00 0.00 H new ATOM 0 HG LEU A 22 14.009 6.479 -10.616 1.00 0.00 H new ATOM 0 HD11 LEU A 22 15.364 8.474 -10.114 1.00 0.00 H new ATOM 0 HD12 LEU A 22 13.627 8.855 -10.189 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.441 8.717 -8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.126 6.253 -9.369 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.233 6.402 -7.837 1.00 0.00 H new ATOM 0 HD23 LEU A 22 14.947 5.005 -8.902 1.00 0.00 H new ATOM 359 N GLU A 23 11.772 3.919 -8.260 1.00 0.00 N ATOM 360 CA GLU A 23 11.901 2.512 -7.894 1.00 0.00 C ATOM 361 C GLU A 23 10.668 2.050 -7.124 1.00 0.00 C ATOM 362 O GLU A 23 9.977 2.860 -6.509 1.00 0.00 O ATOM 363 CB GLU A 23 13.158 2.293 -7.051 1.00 0.00 C ATOM 364 CG GLU A 23 13.718 0.883 -7.147 1.00 0.00 C ATOM 365 CD GLU A 23 14.997 0.817 -7.959 1.00 0.00 C ATOM 366 OE1 GLU A 23 14.908 0.670 -9.196 1.00 0.00 O ATOM 367 OE2 GLU A 23 16.087 0.912 -7.358 1.00 0.00 O ATOM 0 H GLU A 23 11.606 4.544 -7.471 1.00 0.00 H new ATOM 0 HA GLU A 23 11.986 1.924 -8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.924 3.001 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.929 2.514 -6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.909 0.503 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.971 0.230 -7.598 1.00 0.00 H new ATOM 374 N THR A 24 10.390 0.751 -7.162 1.00 0.00 N ATOM 375 CA THR A 24 9.228 0.207 -6.465 1.00 0.00 C ATOM 376 C THR A 24 9.576 -1.069 -5.704 1.00 0.00 C ATOM 377 O THR A 24 10.545 -1.756 -6.028 1.00 0.00 O ATOM 378 CB THR A 24 8.100 -0.073 -7.459 1.00 0.00 C ATOM 379 OG1 THR A 24 8.524 -0.986 -8.455 1.00 0.00 O ATOM 380 CG2 THR A 24 7.598 1.171 -8.159 1.00 0.00 C ATOM 0 H THR A 24 10.948 0.060 -7.663 1.00 0.00 H new ATOM 0 HA THR A 24 8.898 0.952 -5.741 1.00 0.00 H new ATOM 0 HB THR A 24 7.287 -0.489 -6.864 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.788 -1.153 -9.080 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.799 0.902 -8.850 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.217 1.876 -7.420 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.416 1.632 -8.712 1.00 0.00 H new ATOM 388 N TYR A 25 8.769 -1.378 -4.693 1.00 0.00 N ATOM 389 CA TYR A 25 8.971 -2.572 -3.880 1.00 0.00 C ATOM 390 C TYR A 25 7.689 -3.398 -3.820 1.00 0.00 C ATOM 391 O TYR A 25 6.652 -2.983 -4.337 1.00 0.00 O ATOM 392 CB TYR A 25 9.421 -2.188 -2.469 1.00 0.00 C ATOM 393 CG TYR A 25 10.914 -1.982 -2.350 1.00 0.00 C ATOM 394 CD1 TYR A 25 11.561 -1.002 -3.092 1.00 0.00 C ATOM 395 CD2 TYR A 25 11.678 -2.768 -1.496 1.00 0.00 C ATOM 396 CE1 TYR A 25 12.925 -0.811 -2.988 1.00 0.00 C ATOM 397 CE2 TYR A 25 13.043 -2.583 -1.386 1.00 0.00 C ATOM 398 CZ TYR A 25 13.661 -1.604 -2.134 1.00 0.00 C ATOM 399 OH TYR A 25 15.020 -1.417 -2.026 1.00 0.00 O ATOM 0 H TYR A 25 7.965 -0.814 -4.417 1.00 0.00 H new ATOM 0 HA TYR A 25 9.753 -3.175 -4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 25 8.910 -1.273 -2.169 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.113 -2.968 -1.773 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.987 -0.379 -3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.197 -3.536 -0.909 1.00 0.00 H new ATOM 0 HE1 TYR A 25 13.412 -0.045 -3.573 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.623 -3.202 -0.717 1.00 0.00 H new ATOM 0 HH TYR A 25 15.323 -1.723 -1.146 1.00 0.00 H new ATOM 409 N GLU A 26 7.761 -4.569 -3.191 1.00 0.00 N ATOM 410 CA GLU A 26 6.597 -5.442 -3.083 1.00 0.00 C ATOM 411 C GLU A 26 6.355 -5.869 -1.639 1.00 0.00 C ATOM 412 O GLU A 26 7.290 -6.201 -0.912 1.00 0.00 O ATOM 413 CB GLU A 26 6.781 -6.676 -3.967 1.00 0.00 C ATOM 414 CG GLU A 26 8.068 -7.436 -3.690 1.00 0.00 C ATOM 415 CD GLU A 26 8.270 -8.604 -4.635 1.00 0.00 C ATOM 416 OE1 GLU A 26 7.261 -9.175 -5.099 1.00 0.00 O ATOM 417 OE2 GLU A 26 9.439 -8.949 -4.911 1.00 0.00 O ATOM 0 H GLU A 26 8.607 -4.932 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 26 5.726 -4.881 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.934 -7.347 -3.821 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.768 -6.369 -5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.914 -6.754 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.056 -7.802 -2.663 1.00 0.00 H new ATOM 424 N ALA A 27 5.090 -5.867 -1.235 1.00 0.00 N ATOM 425 CA ALA A 27 4.717 -6.261 0.116 1.00 0.00 C ATOM 426 C ALA A 27 3.559 -7.256 0.088 1.00 0.00 C ATOM 427 O ALA A 27 2.699 -7.192 -0.790 1.00 0.00 O ATOM 428 CB ALA A 27 4.353 -5.034 0.938 1.00 0.00 C ATOM 0 H ALA A 27 4.304 -5.596 -1.826 1.00 0.00 H new ATOM 0 HA ALA A 27 5.571 -6.751 0.583 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.076 -5.341 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.209 -4.361 0.986 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.513 -4.520 0.471 1.00 0.00 H new ATOM 434 N GLY A 28 3.540 -8.178 1.047 1.00 0.00 N ATOM 435 CA GLY A 28 2.477 -9.168 1.096 1.00 0.00 C ATOM 436 C GLY A 28 1.738 -9.171 2.420 1.00 0.00 C ATOM 437 O GLY A 28 2.348 -9.316 3.479 1.00 0.00 O ATOM 0 H GLY A 28 4.237 -8.258 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.769 -8.974 0.290 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.899 -10.157 0.918 1.00 0.00 H new ATOM 441 N ILE A 29 0.420 -9.014 2.361 1.00 0.00 N ATOM 442 CA ILE A 29 -0.404 -9.001 3.564 1.00 0.00 C ATOM 443 C ILE A 29 -0.901 -10.403 3.905 1.00 0.00 C ATOM 444 O ILE A 29 -0.924 -11.288 3.050 1.00 0.00 O ATOM 445 CB ILE A 29 -1.615 -8.064 3.401 1.00 0.00 C ATOM 446 CG1 ILE A 29 -1.163 -6.696 2.889 1.00 0.00 C ATOM 447 CG2 ILE A 29 -2.363 -7.922 4.718 1.00 0.00 C ATOM 448 CD1 ILE A 29 -2.305 -5.815 2.431 1.00 0.00 C ATOM 0 H ILE A 29 -0.101 -8.894 1.492 1.00 0.00 H new ATOM 0 HA ILE A 29 0.224 -8.635 4.376 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.294 -8.501 2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.614 -6.184 3.680 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.469 -6.838 2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.215 -7.256 4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.715 -8.901 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.695 -7.507 5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.911 -4.861 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.840 -6.306 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.988 -5.642 3.263 1.00 0.00 H new ATOM 460 N VAL A 30 -1.296 -10.600 5.160 1.00 0.00 N ATOM 461 CA VAL A 30 -1.791 -11.895 5.612 1.00 0.00 C ATOM 462 C VAL A 30 -3.240 -11.798 6.083 1.00 0.00 C ATOM 463 O VAL A 30 -3.537 -11.144 7.083 1.00 0.00 O ATOM 464 CB VAL A 30 -0.923 -12.460 6.754 1.00 0.00 C ATOM 465 CG1 VAL A 30 -0.960 -11.541 7.965 1.00 0.00 C ATOM 466 CG2 VAL A 30 -1.375 -13.865 7.126 1.00 0.00 C ATOM 0 H VAL A 30 -1.283 -9.879 5.881 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.737 -12.571 4.758 1.00 0.00 H new ATOM 0 HB VAL A 30 0.108 -12.516 6.404 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.341 -11.959 8.758 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.579 -10.558 7.688 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.987 -11.446 8.318 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.750 -14.246 7.934 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.414 -13.838 7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.285 -14.518 6.258 1.00 0.00 H new ATOM 476 N LEU A 31 -4.136 -12.455 5.353 1.00 0.00 N ATOM 477 CA LEU A 31 -5.557 -12.449 5.688 1.00 0.00 C ATOM 478 C LEU A 31 -5.787 -12.914 7.124 1.00 0.00 C ATOM 479 O LEU A 31 -4.837 -13.177 7.862 1.00 0.00 O ATOM 480 CB LEU A 31 -6.330 -13.347 4.720 1.00 0.00 C ATOM 481 CG LEU A 31 -6.473 -12.797 3.301 1.00 0.00 C ATOM 482 CD1 LEU A 31 -5.266 -13.175 2.455 1.00 0.00 C ATOM 483 CD2 LEU A 31 -7.757 -13.306 2.663 1.00 0.00 C ATOM 0 H LEU A 31 -3.903 -13.000 4.523 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.920 -11.425 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.831 -14.315 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.326 -13.522 5.127 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.522 -11.709 3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.387 -12.774 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.363 -12.761 2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.182 -14.261 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.845 -12.906 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.736 -14.395 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.612 -12.982 3.257 1.00 0.00 H new ATOM 495 N LYS A 32 -7.055 -13.012 7.514 1.00 0.00 N ATOM 496 CA LYS A 32 -7.410 -13.445 8.861 1.00 0.00 C ATOM 497 C LYS A 32 -8.666 -14.314 8.845 1.00 0.00 C ATOM 498 O LYS A 32 -8.581 -15.542 8.871 1.00 0.00 O ATOM 499 CB LYS A 32 -7.619 -12.231 9.770 1.00 0.00 C ATOM 500 CG LYS A 32 -6.369 -11.814 10.527 1.00 0.00 C ATOM 501 CD LYS A 32 -6.363 -12.370 11.942 1.00 0.00 C ATOM 502 CE LYS A 32 -5.158 -11.880 12.730 1.00 0.00 C ATOM 503 NZ LYS A 32 -4.504 -12.984 13.486 1.00 0.00 N ATOM 0 H LYS A 32 -7.853 -12.797 6.916 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.587 -14.044 9.252 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.965 -11.392 9.167 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.409 -12.456 10.486 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.485 -12.164 9.994 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.310 -10.726 10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.278 -12.074 12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -6.356 -13.459 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.437 -11.430 12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.471 -11.100 13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.687 -12.610 14.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.185 -13.397 14.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.183 -13.717 12.822 1.00 0.00 H new ATOM 517 N GLY A 33 -9.829 -13.671 8.803 1.00 0.00 N ATOM 518 CA GLY A 33 -11.082 -14.402 8.784 1.00 0.00 C ATOM 519 C GLY A 33 -12.063 -13.836 7.778 1.00 0.00 C ATOM 520 O GLY A 33 -12.405 -14.493 6.795 1.00 0.00 O ATOM 0 H GLY A 33 -9.925 -12.656 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.886 -15.448 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.529 -14.378 9.778 1.00 0.00 H new ATOM 524 N SER A 34 -12.512 -12.609 8.022 1.00 0.00 N ATOM 525 CA SER A 34 -13.455 -11.948 7.127 1.00 0.00 C ATOM 526 C SER A 34 -12.723 -11.144 6.052 1.00 0.00 C ATOM 527 O SER A 34 -13.338 -10.374 5.316 1.00 0.00 O ATOM 528 CB SER A 34 -14.383 -11.028 7.922 1.00 0.00 C ATOM 529 OG SER A 34 -13.655 -9.984 8.545 1.00 0.00 O ATOM 0 H SER A 34 -12.238 -12.053 8.832 1.00 0.00 H new ATOM 0 HA SER A 34 -14.048 -12.719 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.136 -10.604 7.258 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.914 -11.607 8.678 1.00 0.00 H new ATOM 0 HG SER A 34 -14.271 -9.409 9.045 1.00 0.00 H new ATOM 535 N GLU A 35 -11.408 -11.328 5.967 1.00 0.00 N ATOM 536 CA GLU A 35 -10.596 -10.622 4.985 1.00 0.00 C ATOM 537 C GLU A 35 -10.960 -11.043 3.564 1.00 0.00 C ATOM 538 O GLU A 35 -11.164 -10.200 2.692 1.00 0.00 O ATOM 539 CB GLU A 35 -9.109 -10.877 5.245 1.00 0.00 C ATOM 540 CG GLU A 35 -8.306 -9.607 5.473 1.00 0.00 C ATOM 541 CD GLU A 35 -8.546 -9.005 6.845 1.00 0.00 C ATOM 542 OE1 GLU A 35 -9.468 -8.174 6.975 1.00 0.00 O ATOM 543 OE2 GLU A 35 -7.811 -9.366 7.788 1.00 0.00 O ATOM 0 H GLU A 35 -10.883 -11.962 6.569 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.798 -9.556 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.007 -11.523 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.687 -11.416 4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.245 -9.827 5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.566 -8.875 4.708 1.00 0.00 H new ATOM 550 N VAL A 36 -11.022 -12.353 3.340 1.00 0.00 N ATOM 551 CA VAL A 36 -11.339 -12.906 2.024 1.00 0.00 C ATOM 552 C VAL A 36 -12.581 -12.257 1.406 1.00 0.00 C ATOM 553 O VAL A 36 -12.515 -11.692 0.317 1.00 0.00 O ATOM 554 CB VAL A 36 -11.566 -14.431 2.106 1.00 0.00 C ATOM 555 CG1 VAL A 36 -11.898 -15.007 0.735 1.00 0.00 C ATOM 556 CG2 VAL A 36 -10.345 -15.122 2.698 1.00 0.00 C ATOM 0 H VAL A 36 -10.856 -13.057 4.059 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.481 -12.691 1.388 1.00 0.00 H new ATOM 0 HB VAL A 36 -12.417 -14.612 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -12.053 -16.083 0.820 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.805 -14.538 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -11.073 -14.813 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -10.523 -16.196 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.476 -14.927 2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.160 -14.738 3.701 1.00 0.00 H new ATOM 566 N LYS A 37 -13.713 -12.364 2.090 1.00 0.00 N ATOM 567 CA LYS A 37 -14.968 -11.808 1.583 1.00 0.00 C ATOM 568 C LYS A 37 -14.986 -10.281 1.601 1.00 0.00 C ATOM 569 O LYS A 37 -15.342 -9.649 0.607 1.00 0.00 O ATOM 570 CB LYS A 37 -16.153 -12.355 2.381 1.00 0.00 C ATOM 571 CG LYS A 37 -16.071 -12.067 3.871 1.00 0.00 C ATOM 572 CD LYS A 37 -16.717 -13.174 4.688 1.00 0.00 C ATOM 573 CE LYS A 37 -16.898 -12.763 6.140 1.00 0.00 C ATOM 574 NZ LYS A 37 -16.993 -13.943 7.044 1.00 0.00 N ATOM 0 H LYS A 37 -13.791 -12.828 2.995 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.052 -12.118 0.542 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.074 -11.926 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.214 -13.433 2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.027 -11.958 4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.563 -11.119 4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.686 -13.427 4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.101 -14.072 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.060 -12.137 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.800 -12.158 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.116 -13.620 8.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.808 -14.528 6.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.122 -14.507 6.972 1.00 0.00 H new ATOM 588 N SER A 38 -14.626 -9.685 2.729 1.00 0.00 N ATOM 589 CA SER A 38 -14.632 -8.229 2.850 1.00 0.00 C ATOM 590 C SER A 38 -13.906 -7.566 1.678 1.00 0.00 C ATOM 591 O SER A 38 -14.452 -6.680 1.017 1.00 0.00 O ATOM 592 CB SER A 38 -13.981 -7.806 4.169 1.00 0.00 C ATOM 593 OG SER A 38 -14.714 -8.294 5.279 1.00 0.00 O ATOM 0 H SER A 38 -14.328 -10.180 3.569 1.00 0.00 H new ATOM 0 HA SER A 38 -15.671 -7.899 2.835 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.959 -8.182 4.211 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.923 -6.719 4.217 1.00 0.00 H new ATOM 0 HG SER A 38 -14.290 -9.110 5.618 1.00 0.00 H new ATOM 599 N LEU A 39 -12.674 -7.994 1.433 1.00 0.00 N ATOM 600 CA LEU A 39 -11.869 -7.437 0.352 1.00 0.00 C ATOM 601 C LEU A 39 -12.392 -7.838 -1.028 1.00 0.00 C ATOM 602 O LEU A 39 -12.554 -6.976 -1.898 1.00 0.00 O ATOM 603 CB LEU A 39 -10.408 -7.853 0.503 1.00 0.00 C ATOM 604 CG LEU A 39 -9.808 -7.620 1.890 1.00 0.00 C ATOM 605 CD1 LEU A 39 -8.564 -8.472 2.084 1.00 0.00 C ATOM 606 CD2 LEU A 39 -9.485 -6.147 2.088 1.00 0.00 C ATOM 0 H LEU A 39 -12.209 -8.727 1.969 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.944 -6.352 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.321 -8.912 0.259 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.813 -7.307 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.544 -7.915 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.151 -8.292 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.825 -9.526 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.822 -8.210 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.059 -5.998 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.767 -5.827 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.398 -5.558 1.993 1.00 0.00 H new ATOM 618 N ARG A 40 -12.652 -9.132 -1.240 1.00 0.00 N ATOM 619 CA ARG A 40 -13.146 -9.597 -2.537 1.00 0.00 C ATOM 620 C ARG A 40 -14.331 -8.747 -2.999 1.00 0.00 C ATOM 621 O ARG A 40 -14.365 -8.273 -4.134 1.00 0.00 O ATOM 622 CB ARG A 40 -13.538 -11.085 -2.480 1.00 0.00 C ATOM 623 CG ARG A 40 -14.968 -11.346 -2.029 1.00 0.00 C ATOM 624 CD ARG A 40 -15.283 -12.832 -2.007 1.00 0.00 C ATOM 625 NE ARG A 40 -16.489 -13.125 -1.237 1.00 0.00 N ATOM 626 CZ ARG A 40 -16.783 -14.327 -0.746 1.00 0.00 C ATOM 627 NH1 ARG A 40 -15.962 -15.352 -0.944 1.00 0.00 N ATOM 628 NH2 ARG A 40 -17.901 -14.505 -0.056 1.00 0.00 N ATOM 0 H ARG A 40 -12.531 -9.865 -0.541 1.00 0.00 H new ATOM 0 HA ARG A 40 -12.339 -9.488 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.397 -11.523 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.857 -11.601 -1.803 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.119 -10.926 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -15.661 -10.836 -2.699 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -15.409 -13.191 -3.028 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.440 -13.375 -1.580 1.00 0.00 H new ATOM 0 HE ARG A 40 -17.145 -12.363 -1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.101 -15.221 -1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -16.193 -16.271 -0.565 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.535 -13.721 0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -18.127 -15.426 0.320 1.00 0.00 H new ATOM 642 N GLU A 41 -15.298 -8.562 -2.105 1.00 0.00 N ATOM 643 CA GLU A 41 -16.488 -7.774 -2.406 1.00 0.00 C ATOM 644 C GLU A 41 -16.119 -6.371 -2.884 1.00 0.00 C ATOM 645 O GLU A 41 -16.336 -6.028 -4.047 1.00 0.00 O ATOM 646 CB GLU A 41 -17.385 -7.681 -1.170 1.00 0.00 C ATOM 647 CG GLU A 41 -17.978 -9.015 -0.747 1.00 0.00 C ATOM 648 CD GLU A 41 -19.452 -9.132 -1.082 1.00 0.00 C ATOM 649 OE1 GLU A 41 -20.268 -8.467 -0.409 1.00 0.00 O ATOM 650 OE2 GLU A 41 -19.791 -9.887 -2.018 1.00 0.00 O ATOM 0 H GLU A 41 -15.280 -8.949 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 41 -17.027 -8.277 -3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -16.807 -7.271 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.195 -6.980 -1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -17.433 -9.822 -1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -17.842 -9.144 0.327 1.00 0.00 H new ATOM 769 N ASP A 49 -5.523 9.287 0.743 1.00 0.00 N ATOM 770 CA ASP A 49 -5.113 9.572 2.114 1.00 0.00 C ATOM 771 C ASP A 49 -4.414 8.367 2.741 1.00 0.00 C ATOM 772 O ASP A 49 -4.315 8.261 3.963 1.00 0.00 O ATOM 773 CB ASP A 49 -6.324 9.975 2.958 1.00 0.00 C ATOM 774 CG ASP A 49 -6.113 11.290 3.682 1.00 0.00 C ATOM 775 OD1 ASP A 49 -5.141 11.391 4.460 1.00 0.00 O ATOM 776 OD2 ASP A 49 -6.920 12.220 3.472 1.00 0.00 O ATOM 0 HA ASP A 49 -4.406 10.401 2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.201 10.054 2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.532 9.192 3.687 1.00 0.00 H new ATOM 781 N SER A 50 -3.927 7.462 1.897 1.00 0.00 N ATOM 782 CA SER A 50 -3.234 6.269 2.371 1.00 0.00 C ATOM 783 C SER A 50 -1.751 6.328 2.016 1.00 0.00 C ATOM 784 O SER A 50 -1.388 6.498 0.852 1.00 0.00 O ATOM 785 CB SER A 50 -3.865 5.013 1.766 1.00 0.00 C ATOM 786 OG SER A 50 -5.263 5.172 1.601 1.00 0.00 O ATOM 0 H SER A 50 -4.000 7.532 0.882 1.00 0.00 H new ATOM 0 HA SER A 50 -3.330 6.228 3.456 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.404 4.799 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.667 4.157 2.411 1.00 0.00 H new ATOM 0 HG SER A 50 -5.641 4.356 1.211 1.00 0.00 H new ATOM 792 N PHE A 51 -0.899 6.189 3.027 1.00 0.00 N ATOM 793 CA PHE A 51 0.545 6.228 2.821 1.00 0.00 C ATOM 794 C PHE A 51 1.216 4.997 3.423 1.00 0.00 C ATOM 795 O PHE A 51 0.682 4.376 4.343 1.00 0.00 O ATOM 796 CB PHE A 51 1.134 7.497 3.440 1.00 0.00 C ATOM 797 CG PHE A 51 0.803 7.663 4.896 1.00 0.00 C ATOM 798 CD1 PHE A 51 1.393 6.850 5.851 1.00 0.00 C ATOM 799 CD2 PHE A 51 -0.098 8.631 5.309 1.00 0.00 C ATOM 800 CE1 PHE A 51 1.090 7.000 7.191 1.00 0.00 C ATOM 801 CE2 PHE A 51 -0.405 8.785 6.648 1.00 0.00 C ATOM 802 CZ PHE A 51 0.190 7.969 7.590 1.00 0.00 C ATOM 0 H PHE A 51 -1.183 6.048 3.996 1.00 0.00 H new ATOM 0 HA PHE A 51 0.733 6.233 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.217 7.480 3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.767 8.364 2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.097 6.091 5.545 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.566 9.272 4.577 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.556 6.360 7.926 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.110 9.543 6.957 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.048 8.088 8.637 1.00 0.00 H new ATOM 812 N VAL A 52 2.390 4.651 2.902 1.00 0.00 N ATOM 813 CA VAL A 52 3.133 3.494 3.393 1.00 0.00 C ATOM 814 C VAL A 52 4.489 3.908 3.950 1.00 0.00 C ATOM 815 O VAL A 52 5.201 4.712 3.348 1.00 0.00 O ATOM 816 CB VAL A 52 3.357 2.445 2.286 1.00 0.00 C ATOM 817 CG1 VAL A 52 2.119 1.582 2.103 1.00 0.00 C ATOM 818 CG2 VAL A 52 3.747 3.116 0.978 1.00 0.00 C ATOM 0 H VAL A 52 2.847 5.154 2.141 1.00 0.00 H new ATOM 0 HA VAL A 52 2.528 3.053 4.185 1.00 0.00 H new ATOM 0 HB VAL A 52 4.179 1.798 2.592 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.300 0.849 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.894 1.066 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.274 2.212 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.900 2.357 0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.952 3.793 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.669 3.680 1.119 1.00 0.00 H new ATOM 828 N ARG A 53 4.845 3.345 5.099 1.00 0.00 N ATOM 829 CA ARG A 53 6.122 3.648 5.735 1.00 0.00 C ATOM 830 C ARG A 53 6.920 2.370 5.970 1.00 0.00 C ATOM 831 O ARG A 53 6.433 1.432 6.599 1.00 0.00 O ATOM 832 CB ARG A 53 5.897 4.377 7.061 1.00 0.00 C ATOM 833 CG ARG A 53 6.869 5.521 7.298 1.00 0.00 C ATOM 834 CD ARG A 53 6.222 6.870 7.027 1.00 0.00 C ATOM 835 NE ARG A 53 5.681 6.954 5.672 1.00 0.00 N ATOM 836 CZ ARG A 53 4.885 7.934 5.252 1.00 0.00 C ATOM 837 NH1 ARG A 53 4.534 8.913 6.076 1.00 0.00 N ATOM 838 NH2 ARG A 53 4.438 7.935 4.003 1.00 0.00 N ATOM 0 H ARG A 53 4.268 2.677 5.609 1.00 0.00 H new ATOM 0 HA ARG A 53 6.691 4.297 5.069 1.00 0.00 H new ATOM 0 HB2 ARG A 53 4.879 4.765 7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 53 5.984 3.662 7.879 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.226 5.488 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.740 5.399 6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.422 7.040 7.748 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.957 7.661 7.174 1.00 0.00 H new ATOM 0 HE ARG A 53 5.928 6.219 5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.875 8.917 7.037 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.924 9.661 5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.705 7.185 3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.828 8.686 3.680 1.00 0.00 H new ATOM 852 N ILE A 54 8.144 2.336 5.458 1.00 0.00 N ATOM 853 CA ILE A 54 9.003 1.171 5.612 1.00 0.00 C ATOM 854 C ILE A 54 9.712 1.185 6.961 1.00 0.00 C ATOM 855 O ILE A 54 10.393 2.151 7.307 1.00 0.00 O ATOM 856 CB ILE A 54 10.055 1.101 4.491 1.00 0.00 C ATOM 857 CG1 ILE A 54 10.903 2.376 4.473 1.00 0.00 C ATOM 858 CG2 ILE A 54 9.380 0.886 3.144 1.00 0.00 C ATOM 859 CD1 ILE A 54 12.315 2.166 4.973 1.00 0.00 C ATOM 0 H ILE A 54 8.563 3.103 4.932 1.00 0.00 H new ATOM 0 HA ILE A 54 8.361 0.292 5.553 1.00 0.00 H new ATOM 0 HB ILE A 54 10.714 0.254 4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 54 10.940 2.764 3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 54 10.417 3.135 5.086 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.137 0.839 2.361 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.819 -0.048 3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.700 1.713 2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 54 12.859 3.110 4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 54 12.287 1.807 6.002 1.00 0.00 H new ATOM 0 HD13 ILE A 54 12.818 1.430 4.345 1.00 0.00 H new ATOM 871 N GLU A 55 9.547 0.106 7.718 1.00 0.00 N ATOM 872 CA GLU A 55 10.171 -0.010 9.030 1.00 0.00 C ATOM 873 C GLU A 55 11.162 -1.168 9.055 1.00 0.00 C ATOM 874 O GLU A 55 10.903 -2.227 8.480 1.00 0.00 O ATOM 875 CB GLU A 55 9.106 -0.211 10.109 1.00 0.00 C ATOM 876 CG GLU A 55 9.573 0.176 11.503 1.00 0.00 C ATOM 877 CD GLU A 55 9.336 1.641 11.811 1.00 0.00 C ATOM 878 OE1 GLU A 55 9.901 2.497 11.097 1.00 0.00 O ATOM 879 OE2 GLU A 55 8.585 1.934 12.765 1.00 0.00 O ATOM 0 H GLU A 55 8.986 -0.701 7.445 1.00 0.00 H new ATOM 0 HA GLU A 55 10.711 0.915 9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.225 0.378 9.853 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.799 -1.257 10.115 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.052 -0.435 12.240 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.636 -0.045 11.600 1.00 0.00 H new ATOM 886 N ASN A 56 12.298 -0.951 9.725 1.00 0.00 N ATOM 887 CA ASN A 56 13.351 -1.963 9.839 1.00 0.00 C ATOM 888 C ASN A 56 12.771 -3.373 9.884 1.00 0.00 C ATOM 889 O ASN A 56 12.396 -3.872 10.945 1.00 0.00 O ATOM 890 CB ASN A 56 14.194 -1.709 11.090 1.00 0.00 C ATOM 891 CG ASN A 56 15.242 -0.636 10.873 1.00 0.00 C ATOM 892 OD1 ASN A 56 15.235 0.399 11.539 1.00 0.00 O ATOM 893 ND2 ASN A 56 16.151 -0.879 9.935 1.00 0.00 N ATOM 0 H ASN A 56 12.512 -0.074 10.201 1.00 0.00 H new ATOM 0 HA ASN A 56 13.982 -1.885 8.953 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.541 -1.414 11.911 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.684 -2.636 11.389 1.00 0.00 H new ATOM 0 HD21 ASN A 56 16.881 -0.193 9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 56 16.118 -1.751 9.407 1.00 0.00 H new ATOM 900 N GLY A 57 12.695 -4.003 8.719 1.00 0.00 N ATOM 901 CA GLY A 57 12.154 -5.342 8.631 1.00 0.00 C ATOM 902 C GLY A 57 11.336 -5.548 7.373 1.00 0.00 C ATOM 903 O GLY A 57 11.772 -6.235 6.449 1.00 0.00 O ATOM 0 H GLY A 57 13.000 -3.607 7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.970 -6.064 8.654 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.531 -5.538 9.504 1.00 0.00 H new ATOM 907 N GLU A 58 10.150 -4.946 7.328 1.00 0.00 N ATOM 908 CA GLU A 58 9.281 -5.075 6.163 1.00 0.00 C ATOM 909 C GLU A 58 8.519 -3.783 5.890 1.00 0.00 C ATOM 910 O GLU A 58 8.606 -2.825 6.658 1.00 0.00 O ATOM 911 CB GLU A 58 8.296 -6.229 6.362 1.00 0.00 C ATOM 912 CG GLU A 58 8.917 -7.456 7.011 1.00 0.00 C ATOM 913 CD GLU A 58 8.847 -7.414 8.525 1.00 0.00 C ATOM 914 OE1 GLU A 58 8.789 -6.299 9.085 1.00 0.00 O ATOM 915 OE2 GLU A 58 8.851 -8.495 9.150 1.00 0.00 O ATOM 0 H GLU A 58 9.772 -4.369 8.079 1.00 0.00 H new ATOM 0 HA GLU A 58 9.912 -5.284 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.465 -5.884 6.978 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.880 -6.511 5.395 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.407 -8.350 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.959 -7.538 6.701 1.00 0.00 H new ATOM 922 N ALA A 59 7.774 -3.762 4.787 1.00 0.00 N ATOM 923 CA ALA A 59 6.996 -2.588 4.417 1.00 0.00 C ATOM 924 C ALA A 59 5.672 -2.553 5.176 1.00 0.00 C ATOM 925 O ALA A 59 5.003 -3.576 5.327 1.00 0.00 O ATOM 926 CB ALA A 59 6.748 -2.571 2.917 1.00 0.00 C ATOM 0 H ALA A 59 7.694 -4.544 4.137 1.00 0.00 H new ATOM 0 HA ALA A 59 7.567 -1.700 4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.165 -1.688 2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.702 -2.546 2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.198 -3.467 2.629 1.00 0.00 H new ATOM 932 N TRP A 60 5.300 -1.369 5.652 1.00 0.00 N ATOM 933 CA TRP A 60 4.057 -1.198 6.396 1.00 0.00 C ATOM 934 C TRP A 60 3.080 -0.324 5.616 1.00 0.00 C ATOM 935 O TRP A 60 3.490 0.525 4.824 1.00 0.00 O ATOM 936 CB TRP A 60 4.339 -0.581 7.766 1.00 0.00 C ATOM 937 CG TRP A 60 4.422 -1.596 8.863 1.00 0.00 C ATOM 938 CD1 TRP A 60 5.544 -2.235 9.306 1.00 0.00 C ATOM 939 CD2 TRP A 60 3.338 -2.092 9.652 1.00 0.00 C ATOM 940 NE1 TRP A 60 5.223 -3.100 10.324 1.00 0.00 N ATOM 941 CE2 TRP A 60 3.873 -3.029 10.556 1.00 0.00 C ATOM 942 CE3 TRP A 60 1.966 -1.834 9.682 1.00 0.00 C ATOM 943 CZ2 TRP A 60 3.082 -3.707 11.480 1.00 0.00 C ATOM 944 CZ3 TRP A 60 1.181 -2.507 10.598 1.00 0.00 C ATOM 945 CH2 TRP A 60 1.740 -3.434 11.487 1.00 0.00 C ATOM 0 H TRP A 60 5.842 -0.513 5.536 1.00 0.00 H new ATOM 0 HA TRP A 60 3.605 -2.179 6.539 1.00 0.00 H new ATOM 0 HB2 TRP A 60 5.276 -0.026 7.722 1.00 0.00 H new ATOM 0 HB3 TRP A 60 3.554 0.137 8.003 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.539 -2.083 8.914 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.881 -3.697 10.825 1.00 0.00 H new ATOM 0 HE3 TRP A 60 1.526 -1.121 9.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 3.511 -4.422 12.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 0.119 -2.315 10.629 1.00 0.00 H new ATOM 0 HH2 TRP A 60 1.100 -3.944 12.192 1.00 0.00 H new ATOM 956 N LEU A 61 1.786 -0.541 5.838 1.00 0.00 N ATOM 957 CA LEU A 61 0.759 0.227 5.141 1.00 0.00 C ATOM 958 C LEU A 61 -0.200 0.899 6.118 1.00 0.00 C ATOM 959 O LEU A 61 -0.752 0.256 7.010 1.00 0.00 O ATOM 960 CB LEU A 61 -0.022 -0.680 4.188 1.00 0.00 C ATOM 961 CG LEU A 61 -0.948 -1.692 4.867 1.00 0.00 C ATOM 962 CD1 LEU A 61 -2.323 -1.085 5.101 1.00 0.00 C ATOM 963 CD2 LEU A 61 -1.056 -2.957 4.030 1.00 0.00 C ATOM 0 H LEU A 61 1.426 -1.237 6.490 1.00 0.00 H new ATOM 0 HA LEU A 61 1.261 1.008 4.570 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.618 -0.055 3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.688 -1.223 3.564 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.522 -1.955 5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.967 -1.819 5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.229 -0.207 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.759 -0.793 4.146 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.718 -3.666 4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.460 -2.710 3.048 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.068 -3.402 3.915 1.00 0.00 H new ATOM 975 N TYR A 62 -0.402 2.198 5.926 1.00 0.00 N ATOM 976 CA TYR A 62 -1.305 2.970 6.769 1.00 0.00 C ATOM 977 C TYR A 62 -2.363 3.660 5.914 1.00 0.00 C ATOM 978 O TYR A 62 -2.037 4.388 4.977 1.00 0.00 O ATOM 979 CB TYR A 62 -0.522 4.008 7.577 1.00 0.00 C ATOM 980 CG TYR A 62 -1.009 4.160 9.000 1.00 0.00 C ATOM 981 CD1 TYR A 62 -2.367 4.228 9.287 1.00 0.00 C ATOM 982 CD2 TYR A 62 -0.111 4.236 10.057 1.00 0.00 C ATOM 983 CE1 TYR A 62 -2.816 4.368 10.586 1.00 0.00 C ATOM 984 CE2 TYR A 62 -0.552 4.376 11.360 1.00 0.00 C ATOM 985 CZ TYR A 62 -1.905 4.441 11.619 1.00 0.00 C ATOM 986 OH TYR A 62 -2.348 4.580 12.914 1.00 0.00 O ATOM 0 H TYR A 62 0.050 2.740 5.190 1.00 0.00 H new ATOM 0 HA TYR A 62 -1.801 2.290 7.462 1.00 0.00 H new ATOM 0 HB2 TYR A 62 0.531 3.727 7.590 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.588 4.973 7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -3.083 4.170 8.481 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.949 4.185 9.858 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.875 4.420 10.792 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.159 4.434 12.171 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.579 4.615 13.521 1.00 0.00 H new ATOM 996 N ASN A 63 -3.630 3.420 6.232 1.00 0.00 N ATOM 997 CA ASN A 63 -4.729 4.016 5.479 1.00 0.00 C ATOM 998 C ASN A 63 -5.587 4.908 6.368 1.00 0.00 C ATOM 999 O ASN A 63 -6.041 4.489 7.433 1.00 0.00 O ATOM 1000 CB ASN A 63 -5.596 2.923 4.851 1.00 0.00 C ATOM 1001 CG ASN A 63 -4.772 1.849 4.168 1.00 0.00 C ATOM 1002 OD1 ASN A 63 -3.944 2.140 3.305 1.00 0.00 O ATOM 1003 ND2 ASN A 63 -4.996 0.597 4.552 1.00 0.00 N ATOM 0 H ASN A 63 -3.922 2.819 7.003 1.00 0.00 H new ATOM 0 HA ASN A 63 -4.297 4.632 4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.214 2.466 5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.273 3.373 4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -4.472 -0.168 4.128 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.692 0.401 5.271 1.00 0.00 H new ATOM 1010 N LEU A 64 -5.811 6.140 5.920 1.00 0.00 N ATOM 1011 CA LEU A 64 -6.621 7.091 6.672 1.00 0.00 C ATOM 1012 C LEU A 64 -7.979 7.306 6.005 1.00 0.00 C ATOM 1013 O LEU A 64 -8.906 7.827 6.625 1.00 0.00 O ATOM 1014 CB LEU A 64 -5.888 8.427 6.804 1.00 0.00 C ATOM 1015 CG LEU A 64 -4.929 8.526 7.992 1.00 0.00 C ATOM 1016 CD1 LEU A 64 -3.927 7.383 7.967 1.00 0.00 C ATOM 1017 CD2 LEU A 64 -4.211 9.867 7.985 1.00 0.00 C ATOM 0 H LEU A 64 -5.443 6.502 5.040 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.789 6.676 7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.326 8.608 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.628 9.223 6.887 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.510 8.451 8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.254 7.471 8.820 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.458 6.433 8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.350 7.425 7.043 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.533 9.921 8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.642 9.970 7.061 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.943 10.672 8.052 1.00 0.00 H new ATOM 1029 N TYR A 65 -8.093 6.904 4.740 1.00 0.00 N ATOM 1030 CA TYR A 65 -9.342 7.061 4.001 1.00 0.00 C ATOM 1031 C TYR A 65 -9.974 5.708 3.689 1.00 0.00 C ATOM 1032 O TYR A 65 -9.469 4.950 2.861 1.00 0.00 O ATOM 1033 CB TYR A 65 -9.101 7.830 2.702 1.00 0.00 C ATOM 1034 CG TYR A 65 -10.241 8.748 2.325 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -11.489 8.236 1.991 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -10.071 10.127 2.303 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -12.534 9.071 1.646 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -11.112 10.969 1.959 1.00 0.00 C ATOM 1039 CZ TYR A 65 -12.341 10.436 1.632 1.00 0.00 C ATOM 1040 OH TYR A 65 -13.380 11.271 1.289 1.00 0.00 O ATOM 0 H TYR A 65 -7.339 6.469 4.209 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.030 7.625 4.630 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -8.189 8.418 2.801 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.935 7.118 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -11.645 7.167 2.001 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.110 10.548 2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -13.497 8.657 1.388 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -10.964 12.039 1.946 1.00 0.00 H new ATOM 0 HH TYR A 65 -13.078 12.202 1.330 1.00 0.00 H new ATOM 1050 N ILE A 66 -11.087 5.414 4.355 1.00 0.00 N ATOM 1051 CA ILE A 66 -11.797 4.157 4.148 1.00 0.00 C ATOM 1052 C ILE A 66 -13.240 4.412 3.721 1.00 0.00 C ATOM 1053 O ILE A 66 -14.010 5.039 4.447 1.00 0.00 O ATOM 1054 CB ILE A 66 -11.793 3.292 5.423 1.00 0.00 C ATOM 1055 CG1 ILE A 66 -10.366 3.132 5.951 1.00 0.00 C ATOM 1056 CG2 ILE A 66 -12.416 1.931 5.146 1.00 0.00 C ATOM 1057 CD1 ILE A 66 -9.853 4.352 6.684 1.00 0.00 C ATOM 0 H ILE A 66 -11.517 6.031 5.044 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.274 3.620 3.357 1.00 0.00 H new ATOM 0 HB ILE A 66 -12.390 3.793 6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -10.329 2.273 6.621 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -9.701 2.913 5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -12.405 1.333 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -13.445 2.063 4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -11.845 1.421 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -8.836 4.168 7.030 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.857 5.209 6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.496 4.559 7.540 1.00 0.00 H new ATOM 1069 N ALA A 67 -13.597 3.927 2.535 1.00 0.00 N ATOM 1070 CA ALA A 67 -14.946 4.111 2.011 1.00 0.00 C ATOM 1071 C ALA A 67 -15.916 3.075 2.581 1.00 0.00 C ATOM 1072 O ALA A 67 -16.851 3.424 3.302 1.00 0.00 O ATOM 1073 CB ALA A 67 -14.936 4.051 0.491 1.00 0.00 C ATOM 0 H ALA A 67 -12.972 3.405 1.920 1.00 0.00 H new ATOM 0 HA ALA A 67 -15.293 5.096 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -15.950 4.190 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -14.293 4.839 0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -14.559 3.081 0.168 1.00 0.00 H new ATOM 1079 N PRO A 68 -15.711 1.783 2.265 1.00 0.00 N ATOM 1080 CA PRO A 68 -16.580 0.707 2.752 1.00 0.00 C ATOM 1081 C PRO A 68 -16.415 0.460 4.248 1.00 0.00 C ATOM 1082 O PRO A 68 -15.801 1.258 4.955 1.00 0.00 O ATOM 1083 CB PRO A 68 -16.119 -0.514 1.953 1.00 0.00 C ATOM 1084 CG PRO A 68 -14.704 -0.220 1.596 1.00 0.00 C ATOM 1085 CD PRO A 68 -14.623 1.271 1.410 1.00 0.00 C ATOM 0 HA PRO A 68 -17.635 0.945 2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -16.197 -1.426 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.730 -0.658 1.062 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.026 -0.552 2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.415 -0.743 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.653 1.662 1.717 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.765 1.554 0.367 1.00 0.00 H new ATOM 1289 N ARG A 81 -6.912 2.331 9.908 1.00 0.00 N ATOM 1290 CA ARG A 81 -6.489 0.967 10.206 1.00 0.00 C ATOM 1291 C ARG A 81 -4.985 0.811 9.996 1.00 0.00 C ATOM 1292 O ARG A 81 -4.271 1.796 9.805 1.00 0.00 O ATOM 1293 CB ARG A 81 -7.250 -0.029 9.327 1.00 0.00 C ATOM 1294 CG ARG A 81 -8.277 -0.851 10.089 1.00 0.00 C ATOM 1295 CD ARG A 81 -7.662 -2.119 10.660 1.00 0.00 C ATOM 1296 NE ARG A 81 -8.679 -3.082 11.077 1.00 0.00 N ATOM 1297 CZ ARG A 81 -8.438 -4.107 11.891 1.00 0.00 C ATOM 1298 NH1 ARG A 81 -7.220 -4.303 12.380 1.00 0.00 N ATOM 1299 NH2 ARG A 81 -9.418 -4.938 12.218 1.00 0.00 N ATOM 0 HA ARG A 81 -6.715 0.759 11.252 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.753 0.515 8.527 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.536 -0.703 8.854 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.696 -0.252 10.898 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -9.101 -1.112 9.425 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.015 -2.577 9.912 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.033 -1.864 11.513 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.628 -2.962 10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.463 -3.666 12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.041 -5.090 13.003 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.356 -4.792 11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.234 -5.724 12.842 1.00 0.00 H new ATOM 1313 N LYS A 82 -4.508 -0.429 10.033 1.00 0.00 N ATOM 1314 CA LYS A 82 -3.088 -0.707 9.847 1.00 0.00 C ATOM 1315 C LYS A 82 -2.854 -2.181 9.529 1.00 0.00 C ATOM 1316 O LYS A 82 -3.427 -3.063 10.168 1.00 0.00 O ATOM 1317 CB LYS A 82 -2.301 -0.311 11.098 1.00 0.00 C ATOM 1318 CG LYS A 82 -0.969 0.355 10.795 1.00 0.00 C ATOM 1319 CD LYS A 82 -0.292 0.849 12.063 1.00 0.00 C ATOM 1320 CE LYS A 82 1.222 0.851 11.923 1.00 0.00 C ATOM 1321 NZ LYS A 82 1.844 2.010 12.621 1.00 0.00 N ATOM 0 H LYS A 82 -5.083 -1.257 10.190 1.00 0.00 H new ATOM 0 HA LYS A 82 -2.737 -0.114 9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.908 0.366 11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.123 -1.201 11.702 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.315 -0.352 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.126 1.192 10.115 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.638 1.857 12.292 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.580 0.214 12.901 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.625 -0.076 12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.489 0.878 10.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.836 2.102 12.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.328 2.879 12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.803 1.859 13.649 1.00 0.00 H new ATOM 1335 N ARG A 83 -2.005 -2.439 8.538 1.00 0.00 N ATOM 1336 CA ARG A 83 -1.690 -3.805 8.135 1.00 0.00 C ATOM 1337 C ARG A 83 -0.182 -3.989 7.986 1.00 0.00 C ATOM 1338 O ARG A 83 0.540 -3.039 7.683 1.00 0.00 O ATOM 1339 CB ARG A 83 -2.395 -4.148 6.820 1.00 0.00 C ATOM 1340 CG ARG A 83 -3.252 -5.401 6.900 1.00 0.00 C ATOM 1341 CD ARG A 83 -4.500 -5.169 7.737 1.00 0.00 C ATOM 1342 NE ARG A 83 -5.500 -4.380 7.022 1.00 0.00 N ATOM 1343 CZ ARG A 83 -6.211 -4.840 5.995 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -6.037 -6.082 5.561 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -7.100 -4.055 5.401 1.00 0.00 N ATOM 0 H ARG A 83 -1.523 -1.719 7.999 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.046 -4.481 8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.022 -3.307 6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.646 -4.279 6.039 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.539 -5.712 5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.669 -6.215 7.331 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.931 -6.130 8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.227 -4.658 8.660 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.663 -3.421 7.328 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.355 -6.690 6.015 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.585 -6.429 4.774 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.238 -3.100 5.731 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.645 -4.406 4.614 1.00 0.00 H new ATOM 1359 N LYS A 84 0.289 -5.213 8.206 1.00 0.00 N ATOM 1360 CA LYS A 84 1.714 -5.511 8.100 1.00 0.00 C ATOM 1361 C LYS A 84 2.008 -6.396 6.891 1.00 0.00 C ATOM 1362 O LYS A 84 1.359 -7.421 6.684 1.00 0.00 O ATOM 1363 CB LYS A 84 2.210 -6.193 9.377 1.00 0.00 C ATOM 1364 CG LYS A 84 1.590 -7.559 9.623 1.00 0.00 C ATOM 1365 CD LYS A 84 2.247 -8.264 10.800 1.00 0.00 C ATOM 1366 CE LYS A 84 1.684 -9.663 11.001 1.00 0.00 C ATOM 1367 NZ LYS A 84 2.742 -10.707 10.901 1.00 0.00 N ATOM 0 H LYS A 84 -0.293 -6.012 8.458 1.00 0.00 H new ATOM 0 HA LYS A 84 2.242 -4.567 7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.293 -6.300 9.323 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.995 -5.548 10.229 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.523 -7.447 9.814 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.691 -8.172 8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.323 -8.325 10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.097 -7.677 11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.204 -9.724 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.913 -9.855 10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.318 -11.646 11.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.183 -10.666 9.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.465 -10.539 11.630 1.00 0.00 H new ATOM 1381 N LEU A 85 2.996 -5.990 6.099 1.00 0.00 N ATOM 1382 CA LEU A 85 3.390 -6.740 4.913 1.00 0.00 C ATOM 1383 C LEU A 85 4.835 -7.222 5.046 1.00 0.00 C ATOM 1384 O LEU A 85 5.686 -6.512 5.580 1.00 0.00 O ATOM 1385 CB LEU A 85 3.237 -5.871 3.662 1.00 0.00 C ATOM 1386 CG LEU A 85 2.112 -4.830 3.726 1.00 0.00 C ATOM 1387 CD1 LEU A 85 2.685 -3.430 3.884 1.00 0.00 C ATOM 1388 CD2 LEU A 85 1.237 -4.910 2.485 1.00 0.00 C ATOM 0 H LEU A 85 3.540 -5.142 6.259 1.00 0.00 H new ATOM 0 HA LEU A 85 2.739 -7.609 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.179 -5.354 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.060 -6.522 2.806 1.00 0.00 H new ATOM 0 HG LEU A 85 1.494 -5.049 4.597 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.871 -2.706 3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.267 -3.377 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.328 -3.202 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.445 -4.164 2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.843 -4.720 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.794 -5.904 2.415 1.00 0.00 H new ATOM 1400 N LEU A 86 5.103 -8.433 4.566 1.00 0.00 N ATOM 1401 CA LEU A 86 6.442 -9.011 4.640 1.00 0.00 C ATOM 1402 C LEU A 86 7.415 -8.289 3.711 1.00 0.00 C ATOM 1403 O LEU A 86 7.027 -7.396 2.957 1.00 0.00 O ATOM 1404 CB LEU A 86 6.397 -10.498 4.287 1.00 0.00 C ATOM 1405 CG LEU A 86 5.319 -11.304 5.016 1.00 0.00 C ATOM 1406 CD1 LEU A 86 4.101 -11.498 4.125 1.00 0.00 C ATOM 1407 CD2 LEU A 86 5.871 -12.649 5.466 1.00 0.00 C ATOM 0 H LEU A 86 4.410 -9.034 4.121 1.00 0.00 H new ATOM 0 HA LEU A 86 6.797 -8.892 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.239 -10.596 3.213 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.370 -10.938 4.508 1.00 0.00 H new ATOM 0 HG LEU A 86 5.012 -10.745 5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.346 -12.073 4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.691 -10.526 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.392 -12.035 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.091 -13.208 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.207 -13.214 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.711 -12.490 6.142 1.00 0.00 H new ATOM 1419 N LEU A 87 8.684 -8.687 3.774 1.00 0.00 N ATOM 1420 CA LEU A 87 9.726 -8.088 2.944 1.00 0.00 C ATOM 1421 C LEU A 87 11.077 -8.739 3.227 1.00 0.00 C ATOM 1422 O LEU A 87 11.194 -9.590 4.109 1.00 0.00 O ATOM 1423 CB LEU A 87 9.812 -6.580 3.205 1.00 0.00 C ATOM 1424 CG LEU A 87 10.200 -5.711 2.002 1.00 0.00 C ATOM 1425 CD1 LEU A 87 9.474 -6.162 0.743 1.00 0.00 C ATOM 1426 CD2 LEU A 87 9.900 -4.248 2.290 1.00 0.00 C ATOM 0 H LEU A 87 9.016 -9.425 4.394 1.00 0.00 H new ATOM 0 HA LEU A 87 9.468 -8.255 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.846 -6.240 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.538 -6.410 4.000 1.00 0.00 H new ATOM 0 HG LEU A 87 11.271 -5.825 1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.768 -5.528 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.735 -7.197 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.398 -6.084 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.180 -3.643 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.835 -4.127 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.470 -3.924 3.161 1.00 0.00 H new ATOM 1438 N HIS A 88 12.096 -8.333 2.476 1.00 0.00 N ATOM 1439 CA HIS A 88 13.438 -8.877 2.651 1.00 0.00 C ATOM 1440 C HIS A 88 14.287 -7.953 3.519 1.00 0.00 C ATOM 1441 O HIS A 88 14.130 -6.733 3.482 1.00 0.00 O ATOM 1442 CB HIS A 88 14.111 -9.084 1.293 1.00 0.00 C ATOM 1443 CG HIS A 88 14.949 -10.323 1.224 1.00 0.00 C ATOM 1444 ND1 HIS A 88 16.179 -10.368 0.601 1.00 0.00 N ATOM 1445 CD2 HIS A 88 14.728 -11.569 1.706 1.00 0.00 C ATOM 1446 CE1 HIS A 88 16.677 -11.587 0.702 1.00 0.00 C ATOM 1447 NE2 HIS A 88 15.817 -12.335 1.368 1.00 0.00 N ATOM 0 H HIS A 88 12.018 -7.630 1.741 1.00 0.00 H new ATOM 0 HA HIS A 88 13.351 -9.841 3.153 1.00 0.00 H new ATOM 0 HB2 HIS A 88 13.344 -9.130 0.520 1.00 0.00 H new ATOM 0 HB3 HIS A 88 14.736 -8.219 1.071 1.00 0.00 H new ATOM 0 HD2 HIS A 88 13.858 -11.899 2.254 1.00 0.00 H new ATOM 0 HE1 HIS A 88 17.627 -11.916 0.307 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.941 -13.322 1.595 1.00 0.00 H new ATOM 1456 N LYS A 89 15.185 -8.543 4.302 1.00 0.00 N ATOM 1457 CA LYS A 89 16.058 -7.772 5.180 1.00 0.00 C ATOM 1458 C LYS A 89 16.896 -6.779 4.382 1.00 0.00 C ATOM 1459 O LYS A 89 17.067 -5.629 4.785 1.00 0.00 O ATOM 1460 CB LYS A 89 16.973 -8.707 5.974 1.00 0.00 C ATOM 1461 CG LYS A 89 17.615 -8.048 7.183 1.00 0.00 C ATOM 1462 CD LYS A 89 16.587 -7.741 8.261 1.00 0.00 C ATOM 1463 CE LYS A 89 16.824 -6.375 8.885 1.00 0.00 C ATOM 1464 NZ LYS A 89 15.548 -5.657 9.153 1.00 0.00 N ATOM 0 H LYS A 89 15.327 -9.552 4.346 1.00 0.00 H new ATOM 0 HA LYS A 89 15.430 -7.213 5.874 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.397 -9.571 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.757 -9.080 5.315 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.386 -8.703 7.589 1.00 0.00 H new ATOM 0 HG3 LYS A 89 18.109 -7.126 6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 89 15.586 -7.777 7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.630 -8.508 9.035 1.00 0.00 H new ATOM 0 HE2 LYS A 89 17.377 -6.493 9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.445 -5.775 8.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.754 -4.730 9.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.032 -5.521 8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.966 -6.217 9.808 1.00 0.00 H new ATOM 1478 N ARG A 90 17.416 -7.231 3.246 1.00 0.00 N ATOM 1479 CA ARG A 90 18.234 -6.383 2.388 1.00 0.00 C ATOM 1480 C ARG A 90 17.384 -5.307 1.719 1.00 0.00 C ATOM 1481 O ARG A 90 17.730 -4.125 1.739 1.00 0.00 O ATOM 1482 CB ARG A 90 18.942 -7.226 1.326 1.00 0.00 C ATOM 1483 CG ARG A 90 19.885 -8.267 1.905 1.00 0.00 C ATOM 1484 CD ARG A 90 21.275 -7.695 2.133 1.00 0.00 C ATOM 1485 NE ARG A 90 21.875 -7.203 0.894 1.00 0.00 N ATOM 1486 CZ ARG A 90 23.074 -6.630 0.829 1.00 0.00 C ATOM 1487 NH1 ARG A 90 23.804 -6.475 1.926 1.00 0.00 N ATOM 1488 NH2 ARG A 90 23.545 -6.210 -0.338 1.00 0.00 N ATOM 0 H ARG A 90 17.285 -8.181 2.898 1.00 0.00 H new ATOM 0 HA ARG A 90 18.984 -5.894 3.010 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.193 -7.727 0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.504 -6.566 0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.484 -8.638 2.848 1.00 0.00 H new ATOM 0 HG3 ARG A 90 19.948 -9.119 1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 90 21.218 -6.881 2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 90 21.916 -8.462 2.566 1.00 0.00 H new ATOM 0 HE ARG A 90 21.344 -7.305 0.029 1.00 0.00 H new ATOM 0 HH11 ARG A 90 23.447 -6.796 2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 90 24.722 -6.035 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 90 22.988 -6.326 -1.185 1.00 0.00 H new ATOM 0 HH22 ARG A 90 24.464 -5.771 -0.389 1.00 0.00 H new ATOM 1502 N GLU A 91 16.274 -5.728 1.120 1.00 0.00 N ATOM 1503 CA GLU A 91 15.370 -4.809 0.433 1.00 0.00 C ATOM 1504 C GLU A 91 15.015 -3.608 1.309 1.00 0.00 C ATOM 1505 O GLU A 91 15.267 -2.462 0.936 1.00 0.00 O ATOM 1506 CB GLU A 91 14.093 -5.542 0.012 1.00 0.00 C ATOM 1507 CG GLU A 91 14.055 -5.895 -1.466 1.00 0.00 C ATOM 1508 CD GLU A 91 13.201 -7.115 -1.751 1.00 0.00 C ATOM 1509 OE1 GLU A 91 12.252 -7.369 -0.980 1.00 0.00 O ATOM 1510 OE2 GLU A 91 13.483 -7.818 -2.745 1.00 0.00 O ATOM 0 H GLU A 91 15.977 -6.704 1.096 1.00 0.00 H new ATOM 0 HA GLU A 91 15.886 -4.438 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.998 -6.456 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 91 13.231 -4.919 0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.668 -5.046 -2.029 1.00 0.00 H new ATOM 0 HG3 GLU A 91 15.070 -6.076 -1.819 1.00 0.00 H new ATOM 1517 N ILE A 92 14.421 -3.873 2.471 1.00 0.00 N ATOM 1518 CA ILE A 92 14.027 -2.806 3.387 1.00 0.00 C ATOM 1519 C ILE A 92 15.197 -1.875 3.697 1.00 0.00 C ATOM 1520 O ILE A 92 15.071 -0.653 3.615 1.00 0.00 O ATOM 1521 CB ILE A 92 13.443 -3.362 4.706 1.00 0.00 C ATOM 1522 CG1 ILE A 92 12.653 -2.270 5.432 1.00 0.00 C ATOM 1523 CG2 ILE A 92 14.532 -3.928 5.608 1.00 0.00 C ATOM 1524 CD1 ILE A 92 11.154 -2.447 5.338 1.00 0.00 C ATOM 0 H ILE A 92 14.203 -4.814 2.799 1.00 0.00 H new ATOM 0 HA ILE A 92 13.248 -2.237 2.879 1.00 0.00 H new ATOM 0 HB ILE A 92 12.769 -4.182 4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.945 -2.259 6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.923 -1.299 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 92 14.083 -4.309 6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 92 15.047 -4.738 5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 92 15.246 -3.142 5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.658 -1.638 5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 92 10.850 -2.428 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 92 10.872 -3.402 5.780 1.00 0.00 H new ATOM 1536 N MET A 93 16.331 -2.464 4.058 1.00 0.00 N ATOM 1537 CA MET A 93 17.528 -1.694 4.390 1.00 0.00 C ATOM 1538 C MET A 93 17.830 -0.660 3.308 1.00 0.00 C ATOM 1539 O MET A 93 17.995 0.525 3.598 1.00 0.00 O ATOM 1540 CB MET A 93 18.727 -2.628 4.568 1.00 0.00 C ATOM 1541 CG MET A 93 18.945 -3.069 6.006 1.00 0.00 C ATOM 1542 SD MET A 93 20.146 -4.407 6.148 1.00 0.00 S ATOM 1543 CE MET A 93 21.523 -3.549 6.906 1.00 0.00 C ATOM 0 H MET A 93 16.449 -3.475 4.129 1.00 0.00 H new ATOM 0 HA MET A 93 17.342 -1.168 5.327 1.00 0.00 H new ATOM 0 HB2 MET A 93 18.586 -3.510 3.943 1.00 0.00 H new ATOM 0 HB3 MET A 93 19.625 -2.125 4.211 1.00 0.00 H new ATOM 0 HG2 MET A 93 19.284 -2.217 6.596 1.00 0.00 H new ATOM 0 HG3 MET A 93 17.995 -3.392 6.431 1.00 0.00 H new ATOM 0 HE1 MET A 93 22.347 -4.246 7.058 1.00 0.00 H new ATOM 0 HE2 MET A 93 21.849 -2.738 6.255 1.00 0.00 H new ATOM 0 HE3 MET A 93 21.212 -3.139 7.867 1.00 0.00 H new ATOM 1553 N ARG A 94 17.891 -1.115 2.062 1.00 0.00 N ATOM 1554 CA ARG A 94 18.162 -0.227 0.938 1.00 0.00 C ATOM 1555 C ARG A 94 17.100 0.865 0.851 1.00 0.00 C ATOM 1556 O ARG A 94 17.417 2.050 0.743 1.00 0.00 O ATOM 1557 CB ARG A 94 18.208 -1.022 -0.369 1.00 0.00 C ATOM 1558 CG ARG A 94 19.617 -1.250 -0.894 1.00 0.00 C ATOM 1559 CD ARG A 94 19.886 -0.432 -2.147 1.00 0.00 C ATOM 1560 NE ARG A 94 20.981 -0.987 -2.939 1.00 0.00 N ATOM 1561 CZ ARG A 94 21.477 -0.405 -4.028 1.00 0.00 C ATOM 1562 NH1 ARG A 94 20.979 0.748 -4.458 1.00 0.00 N ATOM 1563 NH2 ARG A 94 22.475 -0.976 -4.689 1.00 0.00 N ATOM 0 H ARG A 94 17.757 -2.093 1.805 1.00 0.00 H new ATOM 0 HA ARG A 94 19.132 0.243 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 94 17.726 -1.987 -0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 94 17.628 -0.494 -1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.341 -0.985 -0.123 1.00 0.00 H new ATOM 0 HG3 ARG A 94 19.758 -2.309 -1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 94 18.982 -0.393 -2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 94 20.126 0.594 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 94 21.389 -1.873 -2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 94 20.212 1.192 -3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 94 21.363 1.190 -5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.862 -1.861 -4.363 1.00 0.00 H new ATOM 0 HH22 ARG A 94 22.855 -0.530 -5.524 1.00 0.00 H new ATOM 1577 N LEU A 95 15.837 0.452 0.898 1.00 0.00 N ATOM 1578 CA LEU A 95 14.714 1.379 0.825 1.00 0.00 C ATOM 1579 C LEU A 95 14.873 2.536 1.810 1.00 0.00 C ATOM 1580 O LEU A 95 14.887 3.701 1.415 1.00 0.00 O ATOM 1581 CB LEU A 95 13.407 0.636 1.110 1.00 0.00 C ATOM 1582 CG LEU A 95 12.332 0.782 0.036 1.00 0.00 C ATOM 1583 CD1 LEU A 95 11.208 -0.217 0.267 1.00 0.00 C ATOM 1584 CD2 LEU A 95 11.789 2.203 0.018 1.00 0.00 C ATOM 0 H LEU A 95 15.565 -0.527 0.987 1.00 0.00 H new ATOM 0 HA LEU A 95 14.691 1.795 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.630 -0.423 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 95 13.003 0.993 2.057 1.00 0.00 H new ATOM 0 HG LEU A 95 12.782 0.573 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.451 -0.098 -0.508 1.00 0.00 H new ATOM 0 HD12 LEU A 95 11.609 -1.230 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.758 -0.039 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 95 11.024 2.290 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 95 11.354 2.439 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 95 12.600 2.900 -0.195 1.00 0.00 H new ATOM 1596 N TYR A 96 14.981 2.207 3.091 1.00 0.00 N ATOM 1597 CA TYR A 96 15.123 3.216 4.138 1.00 0.00 C ATOM 1598 C TYR A 96 16.230 4.221 3.821 1.00 0.00 C ATOM 1599 O TYR A 96 15.963 5.401 3.591 1.00 0.00 O ATOM 1600 CB TYR A 96 15.411 2.544 5.482 1.00 0.00 C ATOM 1601 CG TYR A 96 15.423 3.505 6.650 1.00 0.00 C ATOM 1602 CD1 TYR A 96 16.563 4.236 6.960 1.00 0.00 C ATOM 1603 CD2 TYR A 96 14.295 3.682 7.441 1.00 0.00 C ATOM 1604 CE1 TYR A 96 16.579 5.115 8.026 1.00 0.00 C ATOM 1605 CE2 TYR A 96 14.302 4.561 8.508 1.00 0.00 C ATOM 1606 CZ TYR A 96 15.446 5.275 8.796 1.00 0.00 C ATOM 1607 OH TYR A 96 15.458 6.150 9.858 1.00 0.00 O ATOM 0 H TYR A 96 14.973 1.246 3.433 1.00 0.00 H new ATOM 0 HA TYR A 96 14.181 3.762 4.191 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.660 1.775 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 96 16.376 2.040 5.427 1.00 0.00 H new ATOM 0 HD1 TYR A 96 17.451 4.115 6.358 1.00 0.00 H new ATOM 0 HD2 TYR A 96 13.398 3.124 7.219 1.00 0.00 H new ATOM 0 HE1 TYR A 96 17.474 5.674 8.255 1.00 0.00 H new ATOM 0 HE2 TYR A 96 13.416 4.688 9.113 1.00 0.00 H new ATOM 0 HH TYR A 96 14.581 6.145 10.295 1.00 0.00 H new ATOM 1617 N GLY A 97 17.471 3.750 3.836 1.00 0.00 N ATOM 1618 CA GLY A 97 18.608 4.618 3.577 1.00 0.00 C ATOM 1619 C GLY A 97 18.481 5.450 2.311 1.00 0.00 C ATOM 1620 O GLY A 97 18.335 6.671 2.379 1.00 0.00 O ATOM 0 H GLY A 97 17.713 2.777 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 97 18.741 5.288 4.427 1.00 0.00 H new ATOM 0 HA3 GLY A 97 19.509 4.008 3.509 1.00 0.00 H new ATOM 1624 N LYS A 98 18.563 4.797 1.158 1.00 0.00 N ATOM 1625 CA LYS A 98 18.488 5.486 -0.130 1.00 0.00 C ATOM 1626 C LYS A 98 17.254 6.379 -0.254 1.00 0.00 C ATOM 1627 O LYS A 98 17.369 7.603 -0.292 1.00 0.00 O ATOM 1628 CB LYS A 98 18.509 4.466 -1.272 1.00 0.00 C ATOM 1629 CG LYS A 98 19.788 4.501 -2.092 1.00 0.00 C ATOM 1630 CD LYS A 98 19.700 3.583 -3.302 1.00 0.00 C ATOM 1631 CE LYS A 98 19.446 4.367 -4.580 1.00 0.00 C ATOM 1632 NZ LYS A 98 20.686 4.531 -5.387 1.00 0.00 N ATOM 0 H LYS A 98 18.682 3.787 1.086 1.00 0.00 H new ATOM 0 HA LYS A 98 19.361 6.136 -0.193 1.00 0.00 H new ATOM 0 HB2 LYS A 98 18.379 3.466 -0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 98 17.660 4.651 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 98 19.982 5.522 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 98 20.630 4.202 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 98 20.627 3.018 -3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 98 18.899 2.859 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 98 18.690 3.855 -5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 98 19.043 5.349 -4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 20.470 5.071 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 21.399 5.042 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 21.057 3.595 -5.648 1.00 0.00 H new ATOM 1646 N VAL A 99 16.084 5.767 -0.347 1.00 0.00 N ATOM 1647 CA VAL A 99 14.836 6.510 -0.506 1.00 0.00 C ATOM 1648 C VAL A 99 14.682 7.644 0.512 1.00 0.00 C ATOM 1649 O VAL A 99 14.727 8.819 0.153 1.00 0.00 O ATOM 1650 CB VAL A 99 13.616 5.573 -0.395 1.00 0.00 C ATOM 1651 CG1 VAL A 99 12.334 6.309 -0.754 1.00 0.00 C ATOM 1652 CG2 VAL A 99 13.801 4.352 -1.281 1.00 0.00 C ATOM 0 H VAL A 99 15.969 4.754 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 99 14.880 6.952 -1.501 1.00 0.00 H new ATOM 0 HB VAL A 99 13.535 5.239 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.487 5.628 -0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 99 12.194 7.149 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.401 6.678 -1.777 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.931 3.702 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.911 4.668 -2.318 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.694 3.809 -0.971 1.00 0.00 H new ATOM 1662 N GLN A 100 14.468 7.287 1.771 1.00 0.00 N ATOM 1663 CA GLN A 100 14.264 8.273 2.833 1.00 0.00 C ATOM 1664 C GLN A 100 15.396 9.300 2.934 1.00 0.00 C ATOM 1665 O GLN A 100 15.197 10.484 2.660 1.00 0.00 O ATOM 1666 CB GLN A 100 14.092 7.564 4.177 1.00 0.00 C ATOM 1667 CG GLN A 100 13.475 8.441 5.254 1.00 0.00 C ATOM 1668 CD GLN A 100 14.496 8.935 6.261 1.00 0.00 C ATOM 1669 OE1 GLN A 100 15.247 9.873 5.992 1.00 0.00 O ATOM 1670 NE2 GLN A 100 14.529 8.304 7.429 1.00 0.00 N ATOM 0 H GLN A 100 14.430 6.318 2.087 1.00 0.00 H new ATOM 0 HA GLN A 100 13.360 8.824 2.574 1.00 0.00 H new ATOM 0 HB2 GLN A 100 13.466 6.683 4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.065 7.213 4.520 1.00 0.00 H new ATOM 0 HG2 GLN A 100 12.989 9.297 4.786 1.00 0.00 H new ATOM 0 HG3 GLN A 100 12.699 7.879 5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.888 7.531 7.610 1.00 0.00 H new ATOM 0 HE22 GLN A 100 15.195 8.592 8.146 1.00 0.00 H new ATOM 1679 N GLU A 101 16.564 8.849 3.374 1.00 0.00 N ATOM 1680 CA GLU A 101 17.717 9.729 3.568 1.00 0.00 C ATOM 1681 C GLU A 101 18.015 10.616 2.360 1.00 0.00 C ATOM 1682 O GLU A 101 18.020 11.841 2.473 1.00 0.00 O ATOM 1683 CB GLU A 101 18.955 8.904 3.921 1.00 0.00 C ATOM 1684 CG GLU A 101 19.830 9.546 4.986 1.00 0.00 C ATOM 1685 CD GLU A 101 21.305 9.492 4.640 1.00 0.00 C ATOM 1686 OE1 GLU A 101 21.635 9.542 3.436 1.00 0.00 O ATOM 1687 OE2 GLU A 101 22.130 9.401 5.573 1.00 0.00 O ATOM 0 H GLU A 101 16.742 7.872 3.606 1.00 0.00 H new ATOM 0 HA GLU A 101 17.459 10.395 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 101 18.639 7.920 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 101 19.548 8.750 3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 101 19.530 10.585 5.119 1.00 0.00 H new ATOM 0 HG3 GLU A 101 19.665 9.042 5.938 1.00 0.00 H new ATOM 1694 N LYS A 102 18.282 10.003 1.214 1.00 0.00 N ATOM 1695 CA LYS A 102 18.602 10.757 0.004 1.00 0.00 C ATOM 1696 C LYS A 102 17.583 11.865 -0.232 1.00 0.00 C ATOM 1697 O LYS A 102 17.947 13.019 -0.456 1.00 0.00 O ATOM 1698 CB LYS A 102 18.649 9.826 -1.209 1.00 0.00 C ATOM 1699 CG LYS A 102 19.446 10.386 -2.374 1.00 0.00 C ATOM 1700 CD LYS A 102 20.160 9.285 -3.142 1.00 0.00 C ATOM 1701 CE LYS A 102 20.676 9.784 -4.481 1.00 0.00 C ATOM 1702 NZ LYS A 102 19.614 9.775 -5.525 1.00 0.00 N ATOM 0 H LYS A 102 18.284 8.990 1.095 1.00 0.00 H new ATOM 0 HA LYS A 102 19.583 11.212 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 102 19.082 8.872 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 102 17.631 9.623 -1.540 1.00 0.00 H new ATOM 0 HG2 LYS A 102 18.779 10.926 -3.046 1.00 0.00 H new ATOM 0 HG3 LYS A 102 20.177 11.105 -2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.992 8.907 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 102 19.478 8.450 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 102 21.063 10.796 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.508 9.159 -4.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.007 10.122 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.262 8.805 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 18.831 10.391 -5.229 1.00 0.00 H new ATOM 1716 N GLY A 103 16.309 11.508 -0.174 1.00 0.00 N ATOM 1717 CA GLY A 103 15.259 12.488 -0.377 1.00 0.00 C ATOM 1718 C GLY A 103 14.102 11.932 -1.176 1.00 0.00 C ATOM 1719 O GLY A 103 13.741 12.474 -2.221 1.00 0.00 O ATOM 0 H GLY A 103 15.982 10.559 0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 103 14.896 12.834 0.591 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.670 13.356 -0.893 1.00 0.00 H new ATOM 1723 N TYR A 104 13.524 10.842 -0.689 1.00 0.00 N ATOM 1724 CA TYR A 104 12.403 10.207 -1.375 1.00 0.00 C ATOM 1725 C TYR A 104 11.333 9.755 -0.387 1.00 0.00 C ATOM 1726 O TYR A 104 11.554 9.743 0.824 1.00 0.00 O ATOM 1727 CB TYR A 104 12.893 9.011 -2.194 1.00 0.00 C ATOM 1728 CG TYR A 104 13.835 9.384 -3.317 1.00 0.00 C ATOM 1729 CD1 TYR A 104 15.116 9.851 -3.049 1.00 0.00 C ATOM 1730 CD2 TYR A 104 13.446 9.264 -4.645 1.00 0.00 C ATOM 1731 CE1 TYR A 104 15.981 10.190 -4.071 1.00 0.00 C ATOM 1732 CE2 TYR A 104 14.306 9.600 -5.674 1.00 0.00 C ATOM 1733 CZ TYR A 104 15.572 10.062 -5.382 1.00 0.00 C ATOM 1734 OH TYR A 104 16.431 10.397 -6.403 1.00 0.00 O ATOM 0 H TYR A 104 13.810 10.380 0.174 1.00 0.00 H new ATOM 0 HA TYR A 104 11.959 10.945 -2.044 1.00 0.00 H new ATOM 0 HB2 TYR A 104 13.396 8.309 -1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 104 12.031 8.492 -2.613 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.441 9.951 -2.024 1.00 0.00 H new ATOM 0 HD2 TYR A 104 12.455 8.902 -4.878 1.00 0.00 H new ATOM 0 HE1 TYR A 104 16.973 10.553 -3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.988 9.501 -6.701 1.00 0.00 H new ATOM 0 HH TYR A 104 15.989 10.248 -7.265 1.00 0.00 H new ATOM 1744 N THR A 105 10.172 9.382 -0.916 1.00 0.00 N ATOM 1745 CA THR A 105 9.061 8.925 -0.089 1.00 0.00 C ATOM 1746 C THR A 105 8.395 7.700 -0.708 1.00 0.00 C ATOM 1747 O THR A 105 8.587 7.407 -1.888 1.00 0.00 O ATOM 1748 CB THR A 105 8.034 10.045 0.087 1.00 0.00 C ATOM 1749 OG1 THR A 105 6.839 9.543 0.660 1.00 0.00 O ATOM 1750 CG2 THR A 105 7.669 10.732 -1.211 1.00 0.00 C ATOM 0 H THR A 105 9.976 9.387 -1.917 1.00 0.00 H new ATOM 0 HA THR A 105 9.456 8.649 0.889 1.00 0.00 H new ATOM 0 HB THR A 105 8.510 10.774 0.742 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.195 10.274 0.766 1.00 0.00 H new ATOM 0 HG21 THR A 105 6.937 11.515 -1.015 1.00 0.00 H new ATOM 0 HG22 THR A 105 8.562 11.173 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 105 7.244 10.003 -1.901 1.00 0.00 H new ATOM 1758 N ILE A 106 7.612 6.987 0.095 1.00 0.00 N ATOM 1759 CA ILE A 106 6.919 5.793 -0.377 1.00 0.00 C ATOM 1760 C ILE A 106 5.413 5.953 -0.276 1.00 0.00 C ATOM 1761 O ILE A 106 4.883 6.354 0.761 1.00 0.00 O ATOM 1762 CB ILE A 106 7.348 4.540 0.412 1.00 0.00 C ATOM 1763 CG1 ILE A 106 8.872 4.492 0.556 1.00 0.00 C ATOM 1764 CG2 ILE A 106 6.832 3.282 -0.271 1.00 0.00 C ATOM 1765 CD1 ILE A 106 9.346 4.615 1.988 1.00 0.00 C ATOM 0 H ILE A 106 7.441 7.215 1.075 1.00 0.00 H new ATOM 0 HA ILE A 106 7.196 5.664 -1.423 1.00 0.00 H new ATOM 0 HB ILE A 106 6.913 4.592 1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 106 9.239 3.554 0.139 1.00 0.00 H new ATOM 0 HG13 ILE A 106 9.311 5.297 -0.034 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.143 2.406 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.744 3.315 -0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 106 7.239 3.223 -1.280 1.00 0.00 H new ATOM 0 HD11 ILE A 106 10.435 4.573 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 106 9.009 5.565 2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 106 8.936 3.796 2.579 1.00 0.00 H new ATOM 1777 N ILE A 107 4.731 5.637 -1.367 1.00 0.00 N ATOM 1778 CA ILE A 107 3.284 5.745 -1.421 1.00 0.00 C ATOM 1779 C ILE A 107 2.653 4.446 -1.922 1.00 0.00 C ATOM 1780 O ILE A 107 3.169 3.811 -2.841 1.00 0.00 O ATOM 1781 CB ILE A 107 2.851 6.902 -2.336 1.00 0.00 C ATOM 1782 CG1 ILE A 107 3.673 6.903 -3.627 1.00 0.00 C ATOM 1783 CG2 ILE A 107 2.989 8.232 -1.612 1.00 0.00 C ATOM 1784 CD1 ILE A 107 2.943 7.506 -4.808 1.00 0.00 C ATOM 0 H ILE A 107 5.161 5.302 -2.230 1.00 0.00 H new ATOM 0 HA ILE A 107 2.938 5.942 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 107 1.803 6.761 -2.599 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.597 7.457 -3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 107 3.955 5.878 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.678 9.040 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.359 8.229 -0.722 1.00 0.00 H new ATOM 0 HG23 ILE A 107 4.029 8.381 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.585 7.473 -5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 107 2.033 6.938 -5.002 1.00 0.00 H new ATOM 0 HD13 ILE A 107 2.684 8.541 -4.586 1.00 0.00 H new ATOM 1796 N PRO A 108 1.525 4.030 -1.318 1.00 0.00 N ATOM 1797 CA PRO A 108 0.830 2.802 -1.706 1.00 0.00 C ATOM 1798 C PRO A 108 -0.063 3.003 -2.922 1.00 0.00 C ATOM 1799 O PRO A 108 -0.596 4.092 -3.138 1.00 0.00 O ATOM 1800 CB PRO A 108 -0.017 2.491 -0.476 1.00 0.00 C ATOM 1801 CG PRO A 108 -0.335 3.827 0.105 1.00 0.00 C ATOM 1802 CD PRO A 108 0.842 4.718 -0.206 1.00 0.00 C ATOM 0 HA PRO A 108 1.521 2.007 -1.988 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -0.924 1.949 -0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 108 0.528 1.869 0.234 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -1.252 4.230 -0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -0.494 3.755 1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 108 0.520 5.719 -0.493 1.00 0.00 H new ATOM 0 HD3 PRO A 108 1.498 4.829 0.658 1.00 0.00 H new ATOM 1810 N LEU A 109 -0.232 1.948 -3.713 1.00 0.00 N ATOM 1811 CA LEU A 109 -1.068 2.018 -4.899 1.00 0.00 C ATOM 1812 C LEU A 109 -2.250 1.053 -4.781 1.00 0.00 C ATOM 1813 O LEU A 109 -3.226 1.345 -4.091 1.00 0.00 O ATOM 1814 CB LEU A 109 -0.236 1.721 -6.152 1.00 0.00 C ATOM 1815 CG LEU A 109 0.797 2.790 -6.513 1.00 0.00 C ATOM 1816 CD1 LEU A 109 1.586 2.376 -7.745 1.00 0.00 C ATOM 1817 CD2 LEU A 109 0.117 4.132 -6.739 1.00 0.00 C ATOM 0 H LEU A 109 0.199 1.038 -3.552 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.468 3.028 -4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.281 0.772 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.913 1.592 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 109 1.492 2.893 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.316 3.149 -7.986 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.104 1.437 -7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.905 2.245 -8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.866 4.881 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.601 4.043 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.402 4.434 -5.830 1.00 0.00 H new ATOM 1829 N LYS A 110 -2.160 -0.098 -5.444 1.00 0.00 N ATOM 1830 CA LYS A 110 -3.232 -1.086 -5.398 1.00 0.00 C ATOM 1831 C LYS A 110 -2.710 -2.475 -5.062 1.00 0.00 C ATOM 1832 O LYS A 110 -1.665 -2.904 -5.551 1.00 0.00 O ATOM 1833 CB LYS A 110 -3.973 -1.124 -6.734 1.00 0.00 C ATOM 1834 CG LYS A 110 -3.057 -1.268 -7.938 1.00 0.00 C ATOM 1835 CD LYS A 110 -2.869 -2.727 -8.322 1.00 0.00 C ATOM 1836 CE LYS A 110 -1.588 -2.936 -9.114 1.00 0.00 C ATOM 1837 NZ LYS A 110 -1.865 -3.344 -10.519 1.00 0.00 N ATOM 0 H LYS A 110 -1.360 -0.367 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 110 -3.918 -0.785 -4.606 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -4.679 -1.955 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -4.558 -0.210 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -3.474 -0.719 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.088 -0.821 -7.715 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.845 -3.341 -7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.722 -3.061 -8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.005 -2.015 -9.112 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.980 -3.699 -8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -0.966 -3.477 -11.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.399 -4.236 -10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.423 -2.605 -10.992 1.00 0.00 H new ATOM 1851 N LEU A 111 -3.470 -3.180 -4.239 1.00 0.00 N ATOM 1852 CA LEU A 111 -3.135 -4.530 -3.847 1.00 0.00 C ATOM 1853 C LEU A 111 -4.292 -5.464 -4.190 1.00 0.00 C ATOM 1854 O LEU A 111 -5.416 -5.265 -3.752 1.00 0.00 O ATOM 1855 CB LEU A 111 -2.840 -4.590 -2.348 1.00 0.00 C ATOM 1856 CG LEU A 111 -3.942 -4.026 -1.447 1.00 0.00 C ATOM 1857 CD1 LEU A 111 -4.072 -4.853 -0.177 1.00 0.00 C ATOM 1858 CD2 LEU A 111 -3.657 -2.570 -1.109 1.00 0.00 C ATOM 0 H LEU A 111 -4.334 -2.828 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.244 -4.846 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.661 -5.629 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.917 -4.044 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.888 -4.078 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.860 -4.436 0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.321 -5.882 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.128 -4.835 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.449 -2.183 -0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.702 -2.497 -0.589 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.615 -1.985 -2.028 1.00 0.00 H new ATOM 1870 N TYR A 112 -3.992 -6.478 -4.975 1.00 0.00 N ATOM 1871 CA TYR A 112 -4.978 -7.471 -5.402 1.00 0.00 C ATOM 1872 C TYR A 112 -4.486 -8.861 -5.038 1.00 0.00 C ATOM 1873 O TYR A 112 -3.275 -9.090 -5.034 1.00 0.00 O ATOM 1874 CB TYR A 112 -5.184 -7.385 -6.915 1.00 0.00 C ATOM 1875 CG TYR A 112 -3.935 -7.687 -7.714 1.00 0.00 C ATOM 1876 CD1 TYR A 112 -3.036 -6.680 -8.040 1.00 0.00 C ATOM 1877 CD2 TYR A 112 -3.657 -8.979 -8.141 1.00 0.00 C ATOM 1878 CE1 TYR A 112 -1.894 -6.952 -8.770 1.00 0.00 C ATOM 1879 CE2 TYR A 112 -2.517 -9.259 -8.870 1.00 0.00 C ATOM 1880 CZ TYR A 112 -1.640 -8.243 -9.182 1.00 0.00 C ATOM 1881 OH TYR A 112 -0.504 -8.518 -9.909 1.00 0.00 O ATOM 0 H TYR A 112 -3.055 -6.645 -5.341 1.00 0.00 H new ATOM 0 HA TYR A 112 -5.925 -7.273 -4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -5.969 -8.082 -7.207 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -5.535 -6.385 -7.169 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -3.232 -5.668 -7.718 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -4.343 -9.778 -7.899 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -1.205 -6.158 -9.016 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.314 -10.269 -9.194 1.00 0.00 H new ATOM 0 HH TYR A 112 -0.474 -9.475 -10.120 1.00 0.00 H new ATOM 1891 N TRP A 113 -5.381 -9.802 -4.731 1.00 0.00 N ATOM 1892 CA TRP A 113 -4.906 -11.138 -4.381 1.00 0.00 C ATOM 1893 C TRP A 113 -5.106 -12.134 -5.517 1.00 0.00 C ATOM 1894 O TRP A 113 -6.211 -12.348 -6.010 1.00 0.00 O ATOM 1895 CB TRP A 113 -5.499 -11.655 -3.051 1.00 0.00 C ATOM 1896 CG TRP A 113 -6.971 -11.522 -2.932 1.00 0.00 C ATOM 1897 CD1 TRP A 113 -7.835 -11.559 -3.950 1.00 0.00 C ATOM 1898 CD2 TRP A 113 -7.746 -11.355 -1.742 1.00 0.00 C ATOM 1899 NE1 TRP A 113 -9.120 -11.392 -3.501 1.00 0.00 N ATOM 1900 CE2 TRP A 113 -9.091 -11.268 -2.141 1.00 0.00 C ATOM 1901 CE3 TRP A 113 -7.441 -11.261 -0.382 1.00 0.00 C ATOM 1902 CZ2 TRP A 113 -10.125 -11.091 -1.234 1.00 0.00 C ATOM 1903 CZ3 TRP A 113 -8.470 -11.088 0.518 1.00 0.00 C ATOM 1904 CH2 TRP A 113 -9.797 -11.003 0.087 1.00 0.00 C ATOM 0 H TRP A 113 -6.393 -9.673 -4.717 1.00 0.00 H new ATOM 0 HA TRP A 113 -3.832 -11.044 -4.222 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.233 -12.706 -2.935 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -5.032 -11.115 -2.227 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -7.559 -11.701 -4.985 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -9.956 -11.365 -4.084 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -6.418 -11.323 -0.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.152 -11.025 -1.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -8.248 -11.017 1.573 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.581 -10.864 0.817 1.00 0.00 H new ATOM 1915 N LYS A 114 -3.998 -12.749 -5.911 1.00 0.00 N ATOM 1916 CA LYS A 114 -3.987 -13.742 -6.969 1.00 0.00 C ATOM 1917 C LYS A 114 -3.652 -15.092 -6.364 1.00 0.00 C ATOM 1918 O LYS A 114 -2.924 -15.167 -5.373 1.00 0.00 O ATOM 1919 CB LYS A 114 -2.962 -13.373 -8.043 1.00 0.00 C ATOM 1920 CG LYS A 114 -3.170 -14.102 -9.361 1.00 0.00 C ATOM 1921 CD LYS A 114 -1.870 -14.689 -9.886 1.00 0.00 C ATOM 1922 CE LYS A 114 -0.952 -13.610 -10.437 1.00 0.00 C ATOM 1923 NZ LYS A 114 -1.358 -13.181 -11.804 1.00 0.00 N ATOM 0 H LYS A 114 -3.081 -12.570 -5.502 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.968 -13.781 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.006 -12.299 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -1.962 -13.593 -7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.901 -14.899 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.583 -13.413 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -1.362 -15.225 -9.084 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.088 -15.416 -10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.961 -12.749 -9.768 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.072 -13.983 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.707 -12.444 -12.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.325 -13.997 -12.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.326 -12.802 -11.776 1.00 0.00 H new ATOM 1937 N ASN A 115 -4.198 -16.156 -6.930 1.00 0.00 N ATOM 1938 CA ASN A 115 -3.961 -17.492 -6.401 1.00 0.00 C ATOM 1939 C ASN A 115 -4.731 -17.674 -5.097 1.00 0.00 C ATOM 1940 O ASN A 115 -5.519 -18.610 -4.960 1.00 0.00 O ATOM 1941 CB ASN A 115 -2.466 -17.734 -6.171 1.00 0.00 C ATOM 1942 CG ASN A 115 -2.120 -19.210 -6.119 1.00 0.00 C ATOM 1943 OD1 ASN A 115 -2.082 -19.887 -7.146 1.00 0.00 O ATOM 1944 ND2 ASN A 115 -1.865 -19.716 -4.917 1.00 0.00 N ATOM 0 H ASN A 115 -4.804 -16.123 -7.750 1.00 0.00 H new ATOM 0 HA ASN A 115 -4.312 -18.221 -7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.897 -17.258 -6.969 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.163 -17.260 -5.237 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -1.626 -20.703 -4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -1.908 -19.118 -4.092 1.00 0.00 H new ATOM 1951 N ASN A 116 -4.514 -16.766 -4.139 1.00 0.00 N ATOM 1952 CA ASN A 116 -5.215 -16.841 -2.862 1.00 0.00 C ATOM 1953 C ASN A 116 -4.843 -15.710 -1.894 1.00 0.00 C ATOM 1954 O ASN A 116 -5.520 -15.533 -0.881 1.00 0.00 O ATOM 1955 CB ASN A 116 -4.952 -18.193 -2.193 1.00 0.00 C ATOM 1956 CG ASN A 116 -6.192 -18.761 -1.531 1.00 0.00 C ATOM 1957 OD1 ASN A 116 -7.309 -18.314 -1.792 1.00 0.00 O ATOM 1958 ND2 ASN A 116 -6.000 -19.751 -0.667 1.00 0.00 N ATOM 0 H ASN A 116 -3.867 -15.982 -4.225 1.00 0.00 H new ATOM 0 HA ASN A 116 -6.275 -16.729 -3.090 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -4.586 -18.899 -2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -4.165 -18.079 -1.447 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -6.796 -20.173 -0.189 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.056 -20.090 -0.481 1.00 0.00 H new ATOM 1965 N LYS A 117 -3.782 -14.943 -2.173 1.00 0.00 N ATOM 1966 CA LYS A 117 -3.405 -13.863 -1.255 1.00 0.00 C ATOM 1967 C LYS A 117 -3.071 -12.561 -1.968 1.00 0.00 C ATOM 1968 O LYS A 117 -2.882 -12.529 -3.182 1.00 0.00 O ATOM 1969 CB LYS A 117 -2.246 -14.291 -0.355 1.00 0.00 C ATOM 1970 CG LYS A 117 -0.969 -14.611 -1.116 1.00 0.00 C ATOM 1971 CD LYS A 117 0.258 -14.047 -0.414 1.00 0.00 C ATOM 1972 CE LYS A 117 1.354 -15.093 -0.278 1.00 0.00 C ATOM 1973 NZ LYS A 117 2.406 -14.935 -1.320 1.00 0.00 N ATOM 0 H LYS A 117 -3.188 -15.044 -2.996 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.283 -13.667 -0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -2.042 -13.496 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -2.547 -15.168 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -0.866 -15.691 -1.217 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -1.033 -14.201 -2.124 1.00 0.00 H new ATOM 0 HD2 LYS A 117 0.637 -13.192 -0.974 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -0.023 -13.682 0.574 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.808 -15.017 0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.917 -16.089 -0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 3.134 -15.667 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.978 -15.033 -2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 2.842 -13.995 -1.234 1.00 0.00 H new ATOM 1987 N VAL A 118 -3.073 -11.475 -1.188 1.00 0.00 N ATOM 1988 CA VAL A 118 -2.853 -10.128 -1.716 1.00 0.00 C ATOM 1989 C VAL A 118 -1.393 -9.703 -1.799 1.00 0.00 C ATOM 1990 O VAL A 118 -0.587 -9.957 -0.904 1.00 0.00 O ATOM 1991 CB VAL A 118 -3.590 -9.050 -0.882 1.00 0.00 C ATOM 1992 CG1 VAL A 118 -4.145 -7.966 -1.792 1.00 0.00 C ATOM 1993 CG2 VAL A 118 -4.699 -9.652 -0.032 1.00 0.00 C ATOM 0 H VAL A 118 -3.226 -11.506 -0.180 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.252 -10.193 -2.728 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.863 -8.605 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -4.660 -7.216 -1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -3.327 -7.495 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -4.846 -8.409 -2.499 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -5.190 -8.863 0.537 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -5.428 -10.141 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -4.274 -10.384 0.655 1.00 0.00 H new ATOM 2003 N LYS A 119 -1.111 -8.972 -2.870 1.00 0.00 N ATOM 2004 CA LYS A 119 0.186 -8.388 -3.126 1.00 0.00 C ATOM 2005 C LYS A 119 -0.019 -6.889 -3.345 1.00 0.00 C ATOM 2006 O LYS A 119 -0.829 -6.482 -4.185 1.00 0.00 O ATOM 2007 CB LYS A 119 0.840 -9.027 -4.354 1.00 0.00 C ATOM 2008 CG LYS A 119 2.337 -9.249 -4.201 1.00 0.00 C ATOM 2009 CD LYS A 119 3.138 -8.328 -5.109 1.00 0.00 C ATOM 2010 CE LYS A 119 3.717 -9.080 -6.296 1.00 0.00 C ATOM 2011 NZ LYS A 119 4.208 -8.155 -7.355 1.00 0.00 N ATOM 0 H LYS A 119 -1.797 -8.768 -3.597 1.00 0.00 H new ATOM 0 HA LYS A 119 0.851 -8.563 -2.280 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.358 -9.984 -4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.662 -8.392 -5.222 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.626 -9.079 -3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.577 -10.287 -4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.498 -7.521 -5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.946 -7.867 -4.540 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.537 -9.714 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.956 -9.739 -6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 4.595 -8.708 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 3.420 -7.568 -7.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.952 -7.543 -6.964 1.00 0.00 H new ATOM 2025 N VAL A 120 0.682 -6.076 -2.568 1.00 0.00 N ATOM 2026 CA VAL A 120 0.551 -4.625 -2.660 1.00 0.00 C ATOM 2027 C VAL A 120 1.760 -4.012 -3.355 1.00 0.00 C ATOM 2028 O VAL A 120 2.898 -4.226 -2.939 1.00 0.00 O ATOM 2029 CB VAL A 120 0.413 -3.986 -1.263 1.00 0.00 C ATOM 2030 CG1 VAL A 120 -0.126 -2.568 -1.373 1.00 0.00 C ATOM 2031 CG2 VAL A 120 -0.475 -4.838 -0.364 1.00 0.00 C ATOM 0 H VAL A 120 1.349 -6.395 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.349 -4.424 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 120 1.403 -3.938 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.216 -2.135 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.557 -1.965 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.106 -2.587 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -0.558 -4.368 0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -1.466 -4.926 -0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -0.037 -5.830 -0.255 1.00 0.00 H new ATOM 2041 N LEU A 121 1.511 -3.246 -4.410 1.00 0.00 N ATOM 2042 CA LEU A 121 2.592 -2.604 -5.147 1.00 0.00 C ATOM 2043 C LEU A 121 2.797 -1.174 -4.656 1.00 0.00 C ATOM 2044 O LEU A 121 1.864 -0.372 -4.644 1.00 0.00 O ATOM 2045 CB LEU A 121 2.288 -2.604 -6.647 1.00 0.00 C ATOM 2046 CG LEU A 121 3.517 -2.539 -7.556 1.00 0.00 C ATOM 2047 CD1 LEU A 121 3.239 -3.236 -8.879 1.00 0.00 C ATOM 2048 CD2 LEU A 121 3.930 -1.094 -7.790 1.00 0.00 C ATOM 0 H LEU A 121 0.577 -3.055 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 121 3.508 -3.169 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 121 1.724 -3.505 -6.888 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.643 -1.754 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 121 4.339 -3.056 -7.062 1.00 0.00 H new ATOM 0 HD11 LEU A 121 4.124 -3.180 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 121 2.990 -4.281 -8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 121 2.403 -2.747 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 121 4.806 -1.066 -8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 121 3.110 -0.553 -8.264 1.00 0.00 H new ATOM 0 HD23 LEU A 121 4.170 -0.625 -6.836 1.00 0.00 H new ATOM 2060 N ILE A 122 4.024 -0.862 -4.252 1.00 0.00 N ATOM 2061 CA ILE A 122 4.348 0.471 -3.760 1.00 0.00 C ATOM 2062 C ILE A 122 5.352 1.161 -4.676 1.00 0.00 C ATOM 2063 O ILE A 122 6.350 0.566 -5.080 1.00 0.00 O ATOM 2064 CB ILE A 122 4.919 0.423 -2.330 1.00 0.00 C ATOM 2065 CG1 ILE A 122 6.085 -0.564 -2.253 1.00 0.00 C ATOM 2066 CG2 ILE A 122 3.830 0.043 -1.338 1.00 0.00 C ATOM 2067 CD1 ILE A 122 6.767 -0.588 -0.902 1.00 0.00 C ATOM 0 H ILE A 122 4.809 -1.513 -4.256 1.00 0.00 H new ATOM 0 HA ILE A 122 3.418 1.039 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 122 5.291 1.414 -2.071 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.720 -1.565 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.819 -0.308 -3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.249 0.013 -0.332 1.00 0.00 H new ATOM 0 HG22 ILE A 122 3.029 0.782 -1.376 1.00 0.00 H new ATOM 0 HG23 ILE A 122 3.431 -0.938 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.584 -1.310 -0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.163 0.402 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.046 -0.874 -0.136 1.00 0.00 H new ATOM 2079 N ALA A 123 5.077 2.419 -5.006 1.00 0.00 N ATOM 2080 CA ALA A 123 5.955 3.186 -5.880 1.00 0.00 C ATOM 2081 C ALA A 123 6.611 4.343 -5.135 1.00 0.00 C ATOM 2082 O ALA A 123 5.943 5.111 -4.443 1.00 0.00 O ATOM 2083 CB ALA A 123 5.179 3.704 -7.081 1.00 0.00 C ATOM 0 H ALA A 123 4.254 2.927 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 123 6.746 2.521 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA A 123 5.846 4.275 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 123 4.767 2.863 -7.639 1.00 0.00 H new ATOM 0 HB3 ALA A 123 4.367 4.346 -6.740 1.00 0.00 H new ATOM 2089 N LEU A 124 7.924 4.463 -5.291 1.00 0.00 N ATOM 2090 CA LEU A 124 8.683 5.527 -4.646 1.00 0.00 C ATOM 2091 C LEU A 124 8.870 6.696 -5.605 1.00 0.00 C ATOM 2092 O LEU A 124 9.245 6.505 -6.762 1.00 0.00 O ATOM 2093 CB LEU A 124 10.048 5.009 -4.184 1.00 0.00 C ATOM 2094 CG LEU A 124 10.070 3.550 -3.721 1.00 0.00 C ATOM 2095 CD1 LEU A 124 11.470 2.968 -3.852 1.00 0.00 C ATOM 2096 CD2 LEU A 124 9.576 3.442 -2.287 1.00 0.00 C ATOM 0 H LEU A 124 8.487 3.833 -5.862 1.00 0.00 H new ATOM 0 HA LEU A 124 8.125 5.868 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 124 10.758 5.124 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 124 10.399 5.638 -3.366 1.00 0.00 H new ATOM 0 HG LEU A 124 9.401 2.974 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 124 11.465 1.930 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 124 11.786 3.012 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 124 12.162 3.544 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 124 9.598 2.399 -1.972 1.00 0.00 H new ATOM 0 HD22 LEU A 124 10.221 4.031 -1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.555 3.819 -2.225 1.00 0.00 H new ATOM 2108 N ALA A 125 8.601 7.905 -5.126 1.00 0.00 N ATOM 2109 CA ALA A 125 8.737 9.093 -5.958 1.00 0.00 C ATOM 2110 C ALA A 125 9.394 10.239 -5.199 1.00 0.00 C ATOM 2111 O ALA A 125 9.512 10.203 -3.974 1.00 0.00 O ATOM 2112 CB ALA A 125 7.377 9.521 -6.486 1.00 0.00 C ATOM 0 H ALA A 125 8.289 8.087 -4.172 1.00 0.00 H new ATOM 0 HA ALA A 125 9.384 8.839 -6.798 1.00 0.00 H new ATOM 0 HB1 ALA A 125 7.491 10.410 -7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.948 8.715 -7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 125 6.716 9.745 -5.649 1.00 0.00 H new ATOM 2118 N LYS A 126 9.818 11.257 -5.940 1.00 0.00 N ATOM 2119 CA LYS A 126 10.464 12.423 -5.348 1.00 0.00 C ATOM 2120 C LYS A 126 9.984 13.706 -6.018 1.00 0.00 C ATOM 2121 O LYS A 126 9.230 13.666 -6.989 1.00 0.00 O ATOM 2122 CB LYS A 126 11.984 12.309 -5.472 1.00 0.00 C ATOM 2123 CG LYS A 126 12.463 12.106 -6.901 1.00 0.00 C ATOM 2124 CD LYS A 126 13.588 13.067 -7.256 1.00 0.00 C ATOM 2125 CE LYS A 126 13.057 14.456 -7.577 1.00 0.00 C ATOM 2126 NZ LYS A 126 13.360 14.857 -8.979 1.00 0.00 N ATOM 0 H LYS A 126 9.726 11.298 -6.955 1.00 0.00 H new ATOM 0 HA LYS A 126 10.195 12.460 -4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.442 13.212 -5.069 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.329 11.476 -4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 126 12.807 11.079 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 126 11.630 12.250 -7.589 1.00 0.00 H new ATOM 0 HD2 LYS A 126 14.291 13.128 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 126 14.140 12.681 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 126 11.979 14.478 -7.418 1.00 0.00 H new ATOM 0 HE3 LYS A 126 13.495 15.180 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 12.981 15.809 -9.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 14.390 14.861 -9.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 12.921 14.181 -9.636 1.00 0.00 H new ATOM 2140 N GLY A 127 10.427 14.844 -5.493 1.00 0.00 N ATOM 2141 CA GLY A 127 10.033 16.123 -6.054 1.00 0.00 C ATOM 2142 C GLY A 127 9.430 17.052 -5.018 1.00 0.00 C ATOM 2143 O GLY A 127 10.114 17.926 -4.486 1.00 0.00 O ATOM 0 H GLY A 127 11.052 14.903 -4.689 1.00 0.00 H new ATOM 0 HA2 GLY A 127 10.903 16.602 -6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 127 9.311 15.958 -6.853 1.00 0.00 H new