USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 610 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 35 CYS SG : rot -128:sc= 0.664 USER MOD Set 1.2: A 71 THR OG1 : rot 144:sc= 0.869 USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc=0.000167 USER MOD Set 2.2: A 16 GLN : amide:sc= 0.00052 X(o=0.00069,f=0) USER MOD Set 2.3: A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0882) USER MOD Single : A 18 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.021) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0376 X(o=-0.038,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -88:sc= 0.52 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -108:sc= -2.44! (180deg=-2.74!) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.225 K(o=-0.22,f=-1.5) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.794 USER MOD Single : A 58 GLN : amide:sc= -0.625 K(o=-0.63,f=0.11) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -79:sc= 0.696 USER MOD Single : A 80 MET CE :methyl -168:sc= -1.07 (180deg=-1.24) USER MOD Single : A 84 CYS SG : rot 73:sc= 0.104 USER MOD ----------------------------------------------------------------- ATOM 46 N ILE A 4 8.882 -5.384 -17.278 1.00 0.00 N ATOM 47 CA ILE A 4 7.563 -5.878 -16.860 1.00 0.00 C ATOM 48 C ILE A 4 6.530 -4.748 -16.927 1.00 0.00 C ATOM 49 O ILE A 4 5.339 -4.993 -17.114 1.00 0.00 O ATOM 50 CB ILE A 4 7.590 -6.464 -15.431 1.00 0.00 C ATOM 51 CG1 ILE A 4 7.651 -5.333 -14.382 1.00 0.00 C ATOM 52 CG2 ILE A 4 8.789 -7.408 -15.264 1.00 0.00 C ATOM 53 CD1 ILE A 4 9.063 -4.748 -14.286 1.00 0.00 C ATOM 0 HA ILE A 4 7.285 -6.677 -17.547 1.00 0.00 H new ATOM 0 HB ILE A 4 6.673 -7.032 -15.275 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.945 -4.546 -14.649 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.346 -5.718 -13.409 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.795 -7.813 -14.252 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.712 -8.225 -15.982 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.713 -6.857 -15.440 1.00 0.00 H new ATOM 0 HD11 ILE A 4 9.078 -3.953 -13.540 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.763 -5.532 -13.995 1.00 0.00 H new ATOM 0 HD13 ILE A 4 9.355 -4.342 -15.254 1.00 0.00 H new ATOM 65 N TYR A 5 7.011 -3.507 -16.779 1.00 0.00 N ATOM 66 CA TYR A 5 6.139 -2.331 -16.831 1.00 0.00 C ATOM 67 C TYR A 5 5.636 -2.114 -18.257 1.00 0.00 C ATOM 68 O TYR A 5 4.489 -1.719 -18.472 1.00 0.00 O ATOM 69 CB TYR A 5 6.899 -1.079 -16.377 1.00 0.00 C ATOM 70 CG TYR A 5 7.520 -1.325 -15.021 1.00 0.00 C ATOM 71 CD1 TYR A 5 6.703 -1.523 -13.903 1.00 0.00 C ATOM 72 CD2 TYR A 5 8.913 -1.362 -14.886 1.00 0.00 C ATOM 73 CE1 TYR A 5 7.278 -1.755 -12.650 1.00 0.00 C ATOM 74 CE2 TYR A 5 9.488 -1.594 -13.632 1.00 0.00 C ATOM 75 CZ TYR A 5 8.670 -1.793 -12.513 1.00 0.00 C ATOM 76 OH TYR A 5 9.238 -2.023 -11.276 1.00 0.00 O ATOM 0 H TYR A 5 7.996 -3.294 -16.623 1.00 0.00 H new ATOM 0 HA TYR A 5 5.295 -2.504 -16.164 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.673 -0.828 -17.102 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.220 -0.227 -16.328 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.628 -1.497 -14.008 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.544 -1.211 -15.750 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.647 -1.905 -11.787 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.563 -1.620 -13.527 1.00 0.00 H new ATOM 0 HH TYR A 5 10.215 -2.018 -11.358 1.00 0.00 H new ATOM 86 N LYS A 6 6.515 -2.388 -19.226 1.00 0.00 N ATOM 87 CA LYS A 6 6.168 -2.233 -20.644 1.00 0.00 C ATOM 88 C LYS A 6 5.191 -3.324 -21.062 1.00 0.00 C ATOM 89 O LYS A 6 4.219 -3.071 -21.775 1.00 0.00 O ATOM 90 CB LYS A 6 7.421 -2.323 -21.530 1.00 0.00 C ATOM 91 CG LYS A 6 8.549 -1.458 -20.949 1.00 0.00 C ATOM 92 CD LYS A 6 7.990 -0.103 -20.501 1.00 0.00 C ATOM 93 CE LYS A 6 9.024 0.618 -19.631 1.00 0.00 C ATOM 94 NZ LYS A 6 8.783 2.090 -19.683 1.00 0.00 N ATOM 0 H LYS A 6 7.466 -2.716 -19.057 1.00 0.00 H new ATOM 0 HA LYS A 6 5.711 -1.252 -20.772 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.749 -3.360 -21.603 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.184 -1.992 -22.541 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.011 -1.968 -20.104 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.328 -1.310 -21.697 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.744 0.506 -21.371 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.066 -0.247 -19.941 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.958 0.265 -18.602 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.031 0.392 -19.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.486 2.578 -19.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.867 2.421 -20.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.828 2.298 -19.328 1.00 0.00 H new ATOM 108 N ALA A 7 5.460 -4.542 -20.589 1.00 0.00 N ATOM 109 CA ALA A 7 4.598 -5.684 -20.892 1.00 0.00 C ATOM 110 C ALA A 7 3.232 -5.511 -20.219 1.00 0.00 C ATOM 111 O ALA A 7 2.209 -5.934 -20.756 1.00 0.00 O ATOM 112 CB ALA A 7 5.238 -6.985 -20.402 1.00 0.00 C ATOM 0 H ALA A 7 6.262 -4.762 -19.999 1.00 0.00 H new ATOM 0 HA ALA A 7 4.468 -5.733 -21.973 1.00 0.00 H new ATOM 0 HB1 ALA A 7 4.582 -7.824 -20.636 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.199 -7.127 -20.897 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.389 -6.933 -19.324 1.00 0.00 H new ATOM 118 N ALA A 8 3.233 -4.875 -19.039 1.00 0.00 N ATOM 119 CA ALA A 8 1.994 -4.640 -18.298 1.00 0.00 C ATOM 120 C ALA A 8 1.163 -3.532 -18.949 1.00 0.00 C ATOM 121 O ALA A 8 -0.063 -3.546 -18.862 1.00 0.00 O ATOM 122 CB ALA A 8 2.298 -4.242 -16.853 1.00 0.00 C ATOM 0 H ALA A 8 4.073 -4.518 -18.583 1.00 0.00 H new ATOM 0 HA ALA A 8 1.426 -5.570 -18.313 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.364 -4.072 -16.318 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.855 -5.042 -16.365 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.893 -3.329 -16.845 1.00 0.00 H new ATOM 128 N VAL A 9 1.842 -2.574 -19.599 1.00 0.00 N ATOM 129 CA VAL A 9 1.150 -1.461 -20.262 1.00 0.00 C ATOM 130 C VAL A 9 0.058 -1.980 -21.207 1.00 0.00 C ATOM 131 O VAL A 9 -1.085 -1.519 -21.163 1.00 0.00 O ATOM 132 CB VAL A 9 2.161 -0.610 -21.049 1.00 0.00 C ATOM 133 CG1 VAL A 9 1.450 0.204 -22.136 1.00 0.00 C ATOM 134 CG2 VAL A 9 2.874 0.348 -20.089 1.00 0.00 C ATOM 0 H VAL A 9 2.859 -2.548 -19.679 1.00 0.00 H new ATOM 0 HA VAL A 9 0.678 -0.846 -19.496 1.00 0.00 H new ATOM 0 HB VAL A 9 2.884 -1.275 -21.522 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.182 0.800 -22.682 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.946 -0.473 -22.826 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.716 0.865 -21.674 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.591 0.952 -20.644 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.141 1.000 -19.614 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.398 -0.226 -19.325 1.00 0.00 H new ATOM 144 N GLU A 10 0.424 -2.946 -22.055 1.00 0.00 N ATOM 145 CA GLU A 10 -0.531 -3.527 -23.007 1.00 0.00 C ATOM 146 C GLU A 10 -1.578 -4.405 -22.301 1.00 0.00 C ATOM 147 O GLU A 10 -2.611 -4.734 -22.885 1.00 0.00 O ATOM 148 CB GLU A 10 0.206 -4.380 -24.046 1.00 0.00 C ATOM 149 CG GLU A 10 0.924 -3.466 -25.044 1.00 0.00 C ATOM 150 CD GLU A 10 2.237 -4.113 -25.476 1.00 0.00 C ATOM 151 OE1 GLU A 10 3.225 -3.918 -24.787 1.00 0.00 O ATOM 152 OE2 GLU A 10 2.234 -4.792 -26.490 1.00 0.00 O ATOM 0 H GLU A 10 1.364 -3.340 -22.103 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.042 -2.697 -23.495 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.926 -5.032 -23.552 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.500 -5.024 -24.570 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.290 -3.290 -25.913 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.118 -2.495 -24.589 1.00 0.00 H new ATOM 159 N GLN A 11 -1.301 -4.784 -21.046 1.00 0.00 N ATOM 160 CA GLN A 11 -2.228 -5.626 -20.280 1.00 0.00 C ATOM 161 C GLN A 11 -3.232 -4.779 -19.494 1.00 0.00 C ATOM 162 O GLN A 11 -4.325 -5.250 -19.168 1.00 0.00 O ATOM 163 CB GLN A 11 -1.460 -6.513 -19.295 1.00 0.00 C ATOM 164 CG GLN A 11 -0.381 -7.302 -20.040 1.00 0.00 C ATOM 165 CD GLN A 11 -0.982 -8.581 -20.614 1.00 0.00 C ATOM 166 OE1 GLN A 11 -0.945 -9.633 -19.974 1.00 0.00 O ATOM 167 NE2 GLN A 11 -1.538 -8.557 -21.796 1.00 0.00 N ATOM 0 H GLN A 11 -0.452 -4.524 -20.544 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.767 -6.245 -20.997 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.004 -5.899 -18.518 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -2.146 -7.198 -18.797 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.039 -6.694 -20.842 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.438 -7.546 -19.363 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.569 -7.687 -22.327 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.941 -9.408 -22.188 1.00 0.00 H new ATOM 176 N LEU A 12 -2.846 -3.534 -19.184 1.00 0.00 N ATOM 177 CA LEU A 12 -3.714 -2.626 -18.424 1.00 0.00 C ATOM 178 C LEU A 12 -5.120 -2.590 -19.026 1.00 0.00 C ATOM 179 O LEU A 12 -5.312 -2.167 -20.168 1.00 0.00 O ATOM 180 CB LEU A 12 -3.140 -1.205 -18.413 1.00 0.00 C ATOM 181 CG LEU A 12 -1.677 -1.081 -17.962 1.00 0.00 C ATOM 182 CD1 LEU A 12 -1.364 0.380 -17.637 1.00 0.00 C ATOM 183 CD2 LEU A 12 -1.442 -1.942 -16.716 1.00 0.00 C ATOM 0 H LEU A 12 -1.945 -3.135 -19.446 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.767 -3.002 -17.402 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.228 -0.790 -19.417 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.756 -0.589 -17.758 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.025 -1.424 -18.765 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.326 0.467 -17.317 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.523 0.992 -18.525 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.020 0.723 -16.837 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.403 -1.850 -16.401 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.096 -1.605 -15.912 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.660 -2.985 -16.948 1.00 0.00 H new ATOM 195 N THR A 13 -6.094 -3.051 -18.239 1.00 0.00 N ATOM 196 CA THR A 13 -7.487 -3.085 -18.689 1.00 0.00 C ATOM 197 C THR A 13 -8.357 -2.182 -17.820 1.00 0.00 C ATOM 198 O THR A 13 -7.981 -1.817 -16.703 1.00 0.00 O ATOM 199 CB THR A 13 -8.048 -4.514 -18.626 1.00 0.00 C ATOM 200 OG1 THR A 13 -7.355 -5.265 -17.636 1.00 0.00 O ATOM 201 CG2 THR A 13 -7.885 -5.189 -19.988 1.00 0.00 C ATOM 0 H THR A 13 -5.946 -3.404 -17.293 1.00 0.00 H new ATOM 0 HA THR A 13 -7.505 -2.731 -19.720 1.00 0.00 H new ATOM 0 HB THR A 13 -9.106 -4.471 -18.366 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.719 -6.174 -17.601 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.283 -6.203 -19.942 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.427 -4.620 -20.743 1.00 0.00 H new ATOM 0 HG23 THR A 13 -6.828 -5.226 -20.251 1.00 0.00 H new ATOM 209 N ASP A 14 -9.535 -1.839 -18.346 1.00 0.00 N ATOM 210 CA ASP A 14 -10.476 -0.988 -17.618 1.00 0.00 C ATOM 211 C ASP A 14 -10.939 -1.674 -16.329 1.00 0.00 C ATOM 212 O ASP A 14 -11.208 -1.009 -15.333 1.00 0.00 O ATOM 213 CB ASP A 14 -11.703 -0.678 -18.483 1.00 0.00 C ATOM 214 CG ASP A 14 -12.450 0.522 -17.904 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.073 1.639 -18.218 1.00 0.00 O ATOM 216 OD2 ASP A 14 -13.388 0.305 -17.154 1.00 0.00 O ATOM 0 H ASP A 14 -9.858 -2.136 -19.267 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.961 -0.060 -17.371 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.394 -0.467 -19.507 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.362 -1.545 -18.521 1.00 0.00 H new ATOM 221 N GLU A 15 -11.028 -3.010 -16.366 1.00 0.00 N ATOM 222 CA GLU A 15 -11.462 -3.781 -15.195 1.00 0.00 C ATOM 223 C GLU A 15 -10.461 -3.643 -14.045 1.00 0.00 C ATOM 224 O GLU A 15 -10.838 -3.321 -12.918 1.00 0.00 O ATOM 225 CB GLU A 15 -11.606 -5.266 -15.550 1.00 0.00 C ATOM 226 CG GLU A 15 -13.017 -5.533 -16.083 1.00 0.00 C ATOM 227 CD GLU A 15 -13.343 -7.018 -15.942 1.00 0.00 C ATOM 228 OE1 GLU A 15 -12.953 -7.775 -16.817 1.00 0.00 O ATOM 229 OE2 GLU A 15 -13.977 -7.375 -14.963 1.00 0.00 O ATOM 0 H GLU A 15 -10.807 -3.575 -17.186 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.427 -3.383 -14.881 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.865 -5.545 -16.299 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -11.417 -5.881 -14.670 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.744 -4.936 -15.532 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.085 -5.233 -17.129 1.00 0.00 H new ATOM 236 N GLN A 16 -9.180 -3.891 -14.345 1.00 0.00 N ATOM 237 CA GLN A 16 -8.124 -3.794 -13.329 1.00 0.00 C ATOM 238 C GLN A 16 -8.000 -2.362 -12.811 1.00 0.00 C ATOM 239 O GLN A 16 -7.903 -2.135 -11.603 1.00 0.00 O ATOM 240 CB GLN A 16 -6.772 -4.229 -13.905 1.00 0.00 C ATOM 241 CG GLN A 16 -6.806 -5.724 -14.238 1.00 0.00 C ATOM 242 CD GLN A 16 -5.396 -6.201 -14.576 1.00 0.00 C ATOM 243 OE1 GLN A 16 -4.780 -6.932 -13.800 1.00 0.00 O ATOM 244 NE2 GLN A 16 -4.841 -5.829 -15.699 1.00 0.00 N ATOM 0 H GLN A 16 -8.852 -4.158 -15.273 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.399 -4.456 -12.508 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.546 -3.652 -14.802 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.978 -4.025 -13.187 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -7.199 -6.287 -13.392 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.474 -5.905 -15.080 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.350 -5.223 -16.343 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.899 -6.144 -15.931 1.00 0.00 H new ATOM 253 N LYS A 17 -8.006 -1.399 -13.739 1.00 0.00 N ATOM 254 CA LYS A 17 -7.896 0.012 -13.366 1.00 0.00 C ATOM 255 C LYS A 17 -9.155 0.496 -12.640 1.00 0.00 C ATOM 256 O LYS A 17 -9.100 1.454 -11.872 1.00 0.00 O ATOM 257 CB LYS A 17 -7.657 0.883 -14.602 1.00 0.00 C ATOM 258 CG LYS A 17 -6.153 1.138 -14.762 1.00 0.00 C ATOM 259 CD LYS A 17 -5.587 0.234 -15.862 1.00 0.00 C ATOM 260 CE LYS A 17 -6.022 0.757 -17.235 1.00 0.00 C ATOM 261 NZ LYS A 17 -5.086 1.828 -17.685 1.00 0.00 N ATOM 0 H LYS A 17 -8.085 -1.569 -14.742 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.045 0.103 -12.691 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.050 0.389 -15.490 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.189 1.829 -14.502 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.977 2.184 -15.012 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.640 0.945 -13.820 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.499 0.207 -15.800 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.939 -0.788 -15.723 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.032 -0.058 -17.959 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.038 1.148 -17.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.619 2.566 -18.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.613 2.246 -16.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.373 1.420 -18.323 1.00 0.00 H new ATOM 275 N ASN A 18 -10.289 -0.181 -12.876 1.00 0.00 N ATOM 276 CA ASN A 18 -11.543 0.188 -12.217 1.00 0.00 C ATOM 277 C ASN A 18 -11.463 -0.178 -10.732 1.00 0.00 C ATOM 278 O ASN A 18 -11.816 0.621 -9.864 1.00 0.00 O ATOM 279 CB ASN A 18 -12.733 -0.521 -12.897 1.00 0.00 C ATOM 280 CG ASN A 18 -13.715 -1.076 -11.867 1.00 0.00 C ATOM 281 OD1 ASN A 18 -14.517 -0.335 -11.298 1.00 0.00 O ATOM 282 ND2 ASN A 18 -13.697 -2.352 -11.597 1.00 0.00 N ATOM 0 H ASN A 18 -10.360 -0.976 -13.511 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.699 1.263 -12.306 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -13.249 0.180 -13.553 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.364 -1.333 -13.524 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.348 -2.738 -10.913 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.032 -2.964 -12.070 1.00 0.00 H new ATOM 289 N GLU A 19 -10.971 -1.391 -10.457 1.00 0.00 N ATOM 290 CA GLU A 19 -10.815 -1.858 -9.076 1.00 0.00 C ATOM 291 C GLU A 19 -9.765 -1.012 -8.364 1.00 0.00 C ATOM 292 O GLU A 19 -9.942 -0.613 -7.213 1.00 0.00 O ATOM 293 CB GLU A 19 -10.365 -3.322 -9.038 1.00 0.00 C ATOM 294 CG GLU A 19 -11.425 -4.204 -9.701 1.00 0.00 C ATOM 295 CD GLU A 19 -12.587 -4.427 -8.734 1.00 0.00 C ATOM 296 OE1 GLU A 19 -12.485 -5.326 -7.915 1.00 0.00 O ATOM 297 OE2 GLU A 19 -13.560 -3.696 -8.829 1.00 0.00 O ATOM 0 H GLU A 19 -10.676 -2.062 -11.166 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.781 -1.767 -8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.411 -3.433 -9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.208 -3.638 -8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.785 -3.732 -10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.989 -5.161 -9.987 1.00 0.00 H new ATOM 304 N PHE A 20 -8.667 -0.750 -9.077 1.00 0.00 N ATOM 305 CA PHE A 20 -7.567 0.051 -8.530 1.00 0.00 C ATOM 306 C PHE A 20 -8.010 1.496 -8.283 1.00 0.00 C ATOM 307 O PHE A 20 -7.680 2.085 -7.253 1.00 0.00 O ATOM 308 CB PHE A 20 -6.375 0.052 -9.497 1.00 0.00 C ATOM 309 CG PHE A 20 -5.502 -1.167 -9.268 1.00 0.00 C ATOM 310 CD1 PHE A 20 -5.985 -2.266 -8.541 1.00 0.00 C ATOM 311 CD2 PHE A 20 -4.205 -1.193 -9.790 1.00 0.00 C ATOM 312 CE1 PHE A 20 -5.170 -3.382 -8.337 1.00 0.00 C ATOM 313 CE2 PHE A 20 -3.390 -2.310 -9.586 1.00 0.00 C ATOM 314 CZ PHE A 20 -3.872 -3.406 -8.860 1.00 0.00 C ATOM 0 H PHE A 20 -8.515 -1.079 -10.031 1.00 0.00 H new ATOM 0 HA PHE A 20 -7.271 -0.397 -7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.734 0.061 -10.526 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.787 0.959 -9.357 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.987 -2.249 -8.139 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.833 -0.349 -10.351 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -5.542 -4.226 -7.776 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.388 -2.328 -9.989 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.242 -4.269 -8.704 1.00 0.00 H new ATOM 324 N LYS A 21 -8.761 2.055 -9.238 1.00 0.00 N ATOM 325 CA LYS A 21 -9.246 3.433 -9.117 1.00 0.00 C ATOM 326 C LYS A 21 -10.257 3.549 -7.976 1.00 0.00 C ATOM 327 O LYS A 21 -10.236 4.517 -7.217 1.00 0.00 O ATOM 328 CB LYS A 21 -9.904 3.895 -10.424 1.00 0.00 C ATOM 329 CG LYS A 21 -10.301 5.373 -10.318 1.00 0.00 C ATOM 330 CD LYS A 21 -9.056 6.229 -10.065 1.00 0.00 C ATOM 331 CE LYS A 21 -9.242 7.607 -10.705 1.00 0.00 C ATOM 332 NZ LYS A 21 -8.243 8.557 -10.138 1.00 0.00 N ATOM 0 H LYS A 21 -9.044 1.580 -10.095 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.387 4.070 -8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.215 3.754 -11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.785 3.287 -10.632 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.793 5.693 -11.236 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.018 5.509 -9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.886 6.334 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.175 5.740 -10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.121 7.537 -11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.252 7.972 -10.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.369 9.493 -10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.379 8.631 -9.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.283 8.210 -10.336 1.00 0.00 H new ATOM 346 N ALA A 22 -11.135 2.549 -7.859 1.00 0.00 N ATOM 347 CA ALA A 22 -12.144 2.547 -6.797 1.00 0.00 C ATOM 348 C ALA A 22 -11.475 2.399 -5.431 1.00 0.00 C ATOM 349 O ALA A 22 -11.812 3.113 -4.488 1.00 0.00 O ATOM 350 CB ALA A 22 -13.137 1.402 -6.997 1.00 0.00 C ATOM 0 H ALA A 22 -11.168 1.739 -8.479 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.680 3.495 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.878 1.419 -6.197 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.638 1.518 -7.958 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.604 0.451 -6.978 1.00 0.00 H new ATOM 356 N ALA A 23 -10.512 1.474 -5.344 1.00 0.00 N ATOM 357 CA ALA A 23 -9.782 1.244 -4.091 1.00 0.00 C ATOM 358 C ALA A 23 -8.956 2.478 -3.708 1.00 0.00 C ATOM 359 O ALA A 23 -8.618 2.676 -2.539 1.00 0.00 O ATOM 360 CB ALA A 23 -8.844 0.042 -4.228 1.00 0.00 C ATOM 0 H ALA A 23 -10.222 0.877 -6.119 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.518 1.046 -3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.312 -0.113 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.426 -0.848 -4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.126 0.230 -5.026 1.00 0.00 H new ATOM 366 N PHE A 24 -8.640 3.306 -4.709 1.00 0.00 N ATOM 367 CA PHE A 24 -7.863 4.521 -4.482 1.00 0.00 C ATOM 368 C PHE A 24 -8.787 5.683 -4.113 1.00 0.00 C ATOM 369 O PHE A 24 -8.604 6.328 -3.084 1.00 0.00 O ATOM 370 CB PHE A 24 -7.081 4.889 -5.752 1.00 0.00 C ATOM 371 CG PHE A 24 -5.898 5.767 -5.411 1.00 0.00 C ATOM 372 CD1 PHE A 24 -6.044 7.161 -5.366 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.650 5.188 -5.151 1.00 0.00 C ATOM 374 CE1 PHE A 24 -4.944 7.971 -5.059 1.00 0.00 C ATOM 375 CE2 PHE A 24 -3.550 5.999 -4.846 1.00 0.00 C ATOM 376 CZ PHE A 24 -3.698 7.390 -4.800 1.00 0.00 C ATOM 0 H PHE A 24 -8.911 3.155 -5.681 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.169 4.336 -3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.737 3.982 -6.250 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.736 5.408 -6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -7.005 7.610 -5.568 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.536 4.115 -5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.057 9.044 -5.022 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.588 5.551 -4.646 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.850 8.015 -4.564 1.00 0.00 H new ATOM 386 N ASP A 25 -9.775 5.941 -4.979 1.00 0.00 N ATOM 387 CA ASP A 25 -10.725 7.042 -4.765 1.00 0.00 C ATOM 388 C ASP A 25 -11.443 6.947 -3.415 1.00 0.00 C ATOM 389 O ASP A 25 -11.723 7.971 -2.792 1.00 0.00 O ATOM 390 CB ASP A 25 -11.776 7.070 -5.881 1.00 0.00 C ATOM 391 CG ASP A 25 -12.440 8.445 -5.925 1.00 0.00 C ATOM 392 OD1 ASP A 25 -11.914 9.314 -6.602 1.00 0.00 O ATOM 393 OD2 ASP A 25 -13.463 8.609 -5.278 1.00 0.00 O ATOM 0 H ASP A 25 -9.938 5.405 -5.832 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.137 7.960 -4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.308 6.850 -6.841 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.526 6.298 -5.708 1.00 0.00 H new ATOM 398 N ILE A 26 -11.744 5.721 -2.965 1.00 0.00 N ATOM 399 CA ILE A 26 -12.437 5.547 -1.680 1.00 0.00 C ATOM 400 C ILE A 26 -11.623 6.174 -0.545 1.00 0.00 C ATOM 401 O ILE A 26 -12.182 6.773 0.376 1.00 0.00 O ATOM 402 CB ILE A 26 -12.691 4.065 -1.374 1.00 0.00 C ATOM 403 CG1 ILE A 26 -11.406 3.254 -1.577 1.00 0.00 C ATOM 404 CG2 ILE A 26 -13.777 3.538 -2.310 1.00 0.00 C ATOM 405 CD1 ILE A 26 -10.800 2.914 -0.219 1.00 0.00 C ATOM 0 H ILE A 26 -11.525 4.855 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 26 -13.400 6.051 -1.757 1.00 0.00 H new ATOM 0 HB ILE A 26 -13.012 3.964 -0.337 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.624 2.340 -2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.693 3.824 -2.173 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.961 2.485 -2.097 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -14.695 4.105 -2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -13.450 3.647 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.886 2.337 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.568 3.835 0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -11.512 2.327 0.361 1.00 0.00 H new ATOM 417 N PHE A 27 -10.296 6.052 -0.640 1.00 0.00 N ATOM 418 CA PHE A 27 -9.403 6.632 0.365 1.00 0.00 C ATOM 419 C PHE A 27 -9.174 8.117 0.071 1.00 0.00 C ATOM 420 O PHE A 27 -8.965 8.916 0.984 1.00 0.00 O ATOM 421 CB PHE A 27 -8.048 5.918 0.372 1.00 0.00 C ATOM 422 CG PHE A 27 -8.029 4.866 1.458 1.00 0.00 C ATOM 423 CD1 PHE A 27 -8.002 5.247 2.806 1.00 0.00 C ATOM 424 CD2 PHE A 27 -8.036 3.509 1.116 1.00 0.00 C ATOM 425 CE1 PHE A 27 -7.982 4.270 3.809 1.00 0.00 C ATOM 426 CE2 PHE A 27 -8.016 2.533 2.119 1.00 0.00 C ATOM 427 CZ PHE A 27 -7.989 2.913 3.465 1.00 0.00 C ATOM 0 H PHE A 27 -9.820 5.561 -1.397 1.00 0.00 H new ATOM 0 HA PHE A 27 -9.876 6.512 1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.865 5.456 -0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.247 6.639 0.537 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.997 6.294 3.071 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.057 3.215 0.077 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.961 4.563 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.021 1.486 1.854 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.974 2.160 4.239 1.00 0.00 H new ATOM 437 N ILE A 28 -9.213 8.473 -1.221 1.00 0.00 N ATOM 438 CA ILE A 28 -9.009 9.863 -1.642 1.00 0.00 C ATOM 439 C ILE A 28 -10.354 10.592 -1.775 1.00 0.00 C ATOM 440 O ILE A 28 -10.549 11.411 -2.677 1.00 0.00 O ATOM 441 CB ILE A 28 -8.262 9.914 -2.989 1.00 0.00 C ATOM 442 CG1 ILE A 28 -7.068 8.947 -2.984 1.00 0.00 C ATOM 443 CG2 ILE A 28 -7.740 11.327 -3.255 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.386 8.934 -1.611 1.00 0.00 C ATOM 0 H ILE A 28 -9.383 7.821 -1.987 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.409 10.361 -0.880 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.965 9.624 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.407 7.942 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.350 9.244 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.215 11.347 -4.210 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.577 12.024 -3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -7.056 11.618 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.543 8.243 -1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.028 9.936 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.101 8.614 -0.853 1.00 0.00 H new ATOM 456 N GLN A 29 -11.277 10.293 -0.856 1.00 0.00 N ATOM 457 CA GLN A 29 -12.594 10.935 -0.871 1.00 0.00 C ATOM 458 C GLN A 29 -12.485 12.382 -0.381 1.00 0.00 C ATOM 459 O GLN A 29 -13.250 13.251 -0.805 1.00 0.00 O ATOM 460 CB GLN A 29 -13.599 10.170 0.008 1.00 0.00 C ATOM 461 CG GLN A 29 -13.025 9.956 1.414 1.00 0.00 C ATOM 462 CD GLN A 29 -14.168 9.855 2.421 1.00 0.00 C ATOM 463 OE1 GLN A 29 -14.808 8.808 2.540 1.00 0.00 O ATOM 464 NE2 GLN A 29 -14.466 10.888 3.161 1.00 0.00 N ATOM 0 H GLN A 29 -11.140 9.620 -0.102 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.955 10.924 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -14.534 10.727 0.071 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.831 9.207 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.424 9.047 1.438 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.365 10.782 1.679 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.937 11.755 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.228 10.828 3.837 1.00 0.00 H new ATOM 473 N ASP A 30 -11.518 12.631 0.512 1.00 0.00 N ATOM 474 CA ASP A 30 -11.305 13.973 1.051 1.00 0.00 C ATOM 475 C ASP A 30 -9.822 14.196 1.385 1.00 0.00 C ATOM 476 O ASP A 30 -9.485 14.825 2.392 1.00 0.00 O ATOM 477 CB ASP A 30 -12.153 14.179 2.314 1.00 0.00 C ATOM 478 CG ASP A 30 -12.672 15.614 2.352 1.00 0.00 C ATOM 479 OD1 ASP A 30 -13.702 15.867 1.749 1.00 0.00 O ATOM 480 OD2 ASP A 30 -12.031 16.438 2.984 1.00 0.00 O ATOM 0 H ASP A 30 -10.877 11.924 0.872 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.607 14.695 0.292 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.988 13.479 2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.556 13.973 3.203 1.00 0.00 H new ATOM 485 N ALA A 31 -8.936 13.678 0.522 1.00 0.00 N ATOM 486 CA ALA A 31 -7.495 13.831 0.730 1.00 0.00 C ATOM 487 C ALA A 31 -7.060 15.265 0.429 1.00 0.00 C ATOM 488 O ALA A 31 -7.674 15.959 -0.386 1.00 0.00 O ATOM 489 CB ALA A 31 -6.716 12.879 -0.181 1.00 0.00 C ATOM 0 H ALA A 31 -9.191 13.156 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.282 13.595 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.647 13.007 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.998 11.850 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.948 13.101 -1.223 1.00 0.00 H new ATOM 495 N GLU A 32 -5.988 15.695 1.094 1.00 0.00 N ATOM 496 CA GLU A 32 -5.462 17.048 0.895 1.00 0.00 C ATOM 497 C GLU A 32 -4.616 17.110 -0.377 1.00 0.00 C ATOM 498 O GLU A 32 -4.747 18.036 -1.181 1.00 0.00 O ATOM 499 CB GLU A 32 -4.599 17.474 2.088 1.00 0.00 C ATOM 500 CG GLU A 32 -5.500 17.937 3.237 1.00 0.00 C ATOM 501 CD GLU A 32 -4.654 18.180 4.483 1.00 0.00 C ATOM 502 OE1 GLU A 32 -4.435 17.233 5.222 1.00 0.00 O ATOM 503 OE2 GLU A 32 -4.236 19.309 4.681 1.00 0.00 O ATOM 0 H GLU A 32 -5.470 15.133 1.769 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.311 17.726 0.803 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.976 16.641 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.926 18.279 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.024 18.851 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.261 17.184 3.443 1.00 0.00 H new ATOM 510 N ASP A 33 -3.747 16.110 -0.543 1.00 0.00 N ATOM 511 CA ASP A 33 -2.871 16.042 -1.716 1.00 0.00 C ATOM 512 C ASP A 33 -3.522 15.229 -2.838 1.00 0.00 C ATOM 513 O ASP A 33 -3.442 15.599 -4.012 1.00 0.00 O ATOM 514 CB ASP A 33 -1.533 15.391 -1.344 1.00 0.00 C ATOM 515 CG ASP A 33 -0.797 16.269 -0.333 1.00 0.00 C ATOM 516 OD1 ASP A 33 -1.061 16.126 0.851 1.00 0.00 O ATOM 517 OD2 ASP A 33 0.019 17.072 -0.758 1.00 0.00 O ATOM 0 H ASP A 33 -3.631 15.340 0.116 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.702 17.061 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.704 14.400 -0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.922 15.257 -2.237 1.00 0.00 H new ATOM 522 N GLY A 34 -4.163 14.116 -2.463 1.00 0.00 N ATOM 523 CA GLY A 34 -4.825 13.247 -3.442 1.00 0.00 C ATOM 524 C GLY A 34 -4.118 11.893 -3.536 1.00 0.00 C ATOM 525 O GLY A 34 -3.923 11.356 -4.628 1.00 0.00 O ATOM 0 H GLY A 34 -4.237 13.798 -1.497 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.867 13.099 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.827 13.729 -4.420 1.00 0.00 H new ATOM 529 N CYS A 35 -3.742 11.349 -2.375 1.00 0.00 N ATOM 530 CA CYS A 35 -3.056 10.055 -2.320 1.00 0.00 C ATOM 531 C CYS A 35 -3.256 9.411 -0.950 1.00 0.00 C ATOM 532 O CYS A 35 -3.822 10.025 -0.040 1.00 0.00 O ATOM 533 CB CYS A 35 -1.549 10.211 -2.586 1.00 0.00 C ATOM 534 SG CYS A 35 -1.021 11.907 -2.220 1.00 0.00 S ATOM 0 H CYS A 35 -3.900 11.782 -1.465 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.486 9.420 -3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.989 9.507 -1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.329 9.970 -3.626 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.370 12.388 -3.237 1.00 0.00 H new ATOM 540 N ILE A 36 -2.782 8.172 -0.802 1.00 0.00 N ATOM 541 CA ILE A 36 -2.915 7.469 0.473 1.00 0.00 C ATOM 542 C ILE A 36 -1.574 7.454 1.203 1.00 0.00 C ATOM 543 O ILE A 36 -0.571 7.958 0.696 1.00 0.00 O ATOM 544 CB ILE A 36 -3.410 6.028 0.270 1.00 0.00 C ATOM 545 CG1 ILE A 36 -2.461 5.267 -0.662 1.00 0.00 C ATOM 546 CG2 ILE A 36 -4.813 6.047 -0.343 1.00 0.00 C ATOM 547 CD1 ILE A 36 -1.743 4.166 0.125 1.00 0.00 C ATOM 0 H ILE A 36 -2.311 7.643 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.653 8.001 1.073 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.438 5.527 1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.020 4.831 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.733 5.953 -1.095 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.162 5.024 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.495 6.573 0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.783 6.558 -1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.068 3.625 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.171 4.614 0.938 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.478 3.475 0.537 1.00 0.00 H new ATOM 559 N SER A 37 -1.568 6.876 2.399 1.00 0.00 N ATOM 560 CA SER A 37 -0.346 6.802 3.193 1.00 0.00 C ATOM 561 C SER A 37 0.378 5.487 2.931 1.00 0.00 C ATOM 562 O SER A 37 -0.247 4.436 2.777 1.00 0.00 O ATOM 563 CB SER A 37 -0.666 6.908 4.686 1.00 0.00 C ATOM 564 OG SER A 37 0.470 7.415 5.374 1.00 0.00 O ATOM 0 H SER A 37 -2.387 6.455 2.837 1.00 0.00 H new ATOM 0 HA SER A 37 0.294 7.635 2.902 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.522 7.564 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.939 5.930 5.082 1.00 0.00 H new ATOM 0 HG SER A 37 0.268 7.486 6.330 1.00 0.00 H new ATOM 570 N THR A 38 1.706 5.559 2.896 1.00 0.00 N ATOM 571 CA THR A 38 2.525 4.365 2.670 1.00 0.00 C ATOM 572 C THR A 38 2.287 3.332 3.777 1.00 0.00 C ATOM 573 O THR A 38 2.411 2.128 3.553 1.00 0.00 O ATOM 574 CB THR A 38 4.015 4.728 2.633 1.00 0.00 C ATOM 575 OG1 THR A 38 4.329 5.575 3.731 1.00 0.00 O ATOM 576 CG2 THR A 38 4.330 5.452 1.323 1.00 0.00 C ATOM 0 H THR A 38 2.237 6.421 3.020 1.00 0.00 H new ATOM 0 HA THR A 38 2.235 3.940 1.709 1.00 0.00 H new ATOM 0 HB THR A 38 4.611 3.817 2.699 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.180 6.510 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.389 5.710 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.094 4.801 0.481 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.733 6.361 1.257 1.00 0.00 H new ATOM 584 N LYS A 39 1.934 3.822 4.974 1.00 0.00 N ATOM 585 CA LYS A 39 1.672 2.940 6.114 1.00 0.00 C ATOM 586 C LYS A 39 0.308 2.253 5.981 1.00 0.00 C ATOM 587 O LYS A 39 0.139 1.112 6.417 1.00 0.00 O ATOM 588 CB LYS A 39 1.692 3.733 7.426 1.00 0.00 C ATOM 589 CG LYS A 39 3.094 4.299 7.670 1.00 0.00 C ATOM 590 CD LYS A 39 2.986 5.755 8.133 1.00 0.00 C ATOM 591 CE LYS A 39 2.721 5.797 9.641 1.00 0.00 C ATOM 592 NZ LYS A 39 4.016 5.760 10.380 1.00 0.00 N ATOM 0 H LYS A 39 1.825 4.816 5.174 1.00 0.00 H new ATOM 0 HA LYS A 39 2.458 2.184 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.965 4.544 7.382 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.401 3.088 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.611 3.705 8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.685 4.240 6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.907 6.290 7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.181 6.258 7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.170 6.702 9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.099 4.951 9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.833 5.789 11.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.526 4.885 10.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.594 6.581 10.109 1.00 0.00 H new ATOM 606 N GLU A 40 -0.666 2.956 5.381 1.00 0.00 N ATOM 607 CA GLU A 40 -2.006 2.393 5.215 1.00 0.00 C ATOM 608 C GLU A 40 -2.141 1.596 3.906 1.00 0.00 C ATOM 609 O GLU A 40 -3.252 1.256 3.497 1.00 0.00 O ATOM 610 CB GLU A 40 -3.062 3.507 5.255 1.00 0.00 C ATOM 611 CG GLU A 40 -2.999 4.354 3.979 1.00 0.00 C ATOM 612 CD GLU A 40 -4.389 4.458 3.358 1.00 0.00 C ATOM 613 OE1 GLU A 40 -4.792 3.517 2.693 1.00 0.00 O ATOM 614 OE2 GLU A 40 -5.025 5.478 3.551 1.00 0.00 O ATOM 0 H GLU A 40 -0.550 3.899 5.010 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.170 1.703 6.043 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.055 3.071 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.898 4.140 6.127 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.619 5.349 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.306 3.905 3.268 1.00 0.00 H new ATOM 621 N LEU A 41 -1.006 1.287 3.260 1.00 0.00 N ATOM 622 CA LEU A 41 -1.032 0.512 2.014 1.00 0.00 C ATOM 623 C LEU A 41 -1.717 -0.839 2.237 1.00 0.00 C ATOM 624 O LEU A 41 -2.442 -1.333 1.375 1.00 0.00 O ATOM 625 CB LEU A 41 0.385 0.263 1.495 1.00 0.00 C ATOM 626 CG LEU A 41 0.596 0.623 0.026 1.00 0.00 C ATOM 627 CD1 LEU A 41 2.043 0.330 -0.377 1.00 0.00 C ATOM 628 CD2 LEU A 41 -0.355 -0.205 -0.845 1.00 0.00 C ATOM 0 H LEU A 41 -0.074 1.557 3.575 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.589 1.092 1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.086 0.838 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.630 -0.790 1.636 1.00 0.00 H new ATOM 0 HG LEU A 41 0.391 1.684 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.188 0.589 -1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.719 0.922 0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.254 -0.730 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.205 0.052 -1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.152 -1.266 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.386 0.009 -0.563 1.00 0.00 H new ATOM 640 N GLY A 42 -1.484 -1.422 3.413 1.00 0.00 N ATOM 641 CA GLY A 42 -2.093 -2.709 3.760 1.00 0.00 C ATOM 642 C GLY A 42 -3.622 -2.601 3.849 1.00 0.00 C ATOM 643 O GLY A 42 -4.322 -3.615 3.838 1.00 0.00 O ATOM 0 H GLY A 42 -0.883 -1.029 4.137 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.823 -3.454 3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.695 -3.056 4.714 1.00 0.00 H new ATOM 647 N LYS A 43 -4.132 -1.363 3.935 1.00 0.00 N ATOM 648 CA LYS A 43 -5.574 -1.134 4.026 1.00 0.00 C ATOM 649 C LYS A 43 -6.209 -1.088 2.633 1.00 0.00 C ATOM 650 O LYS A 43 -7.304 -1.615 2.429 1.00 0.00 O ATOM 651 CB LYS A 43 -5.868 0.185 4.752 1.00 0.00 C ATOM 652 CG LYS A 43 -5.161 0.206 6.113 1.00 0.00 C ATOM 653 CD LYS A 43 -5.825 -0.799 7.060 1.00 0.00 C ATOM 654 CE LYS A 43 -4.875 -1.110 8.222 1.00 0.00 C ATOM 655 NZ LYS A 43 -3.968 -2.231 7.842 1.00 0.00 N ATOM 0 H LYS A 43 -3.568 -0.513 3.943 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.003 -1.963 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.531 1.026 4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.943 0.302 4.890 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.106 -0.040 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.207 1.207 6.541 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.762 -0.392 7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.071 -1.715 6.522 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.290 -0.225 8.473 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.447 -1.377 9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.325 -2.440 8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.533 -3.076 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.413 -1.960 7.006 1.00 0.00 H new ATOM 669 N VAL A 44 -5.514 -0.456 1.673 1.00 0.00 N ATOM 670 CA VAL A 44 -6.037 -0.362 0.305 1.00 0.00 C ATOM 671 C VAL A 44 -6.055 -1.743 -0.357 1.00 0.00 C ATOM 672 O VAL A 44 -6.981 -2.069 -1.103 1.00 0.00 O ATOM 673 CB VAL A 44 -5.217 0.618 -0.552 1.00 0.00 C ATOM 674 CG1 VAL A 44 -5.405 2.042 -0.029 1.00 0.00 C ATOM 675 CG2 VAL A 44 -3.729 0.260 -0.502 1.00 0.00 C ATOM 0 H VAL A 44 -4.607 -0.012 1.816 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.056 0.020 0.371 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.566 0.551 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.823 2.733 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.460 2.312 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.067 2.097 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.165 0.964 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.377 0.311 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.585 -0.750 -0.885 1.00 0.00 H new ATOM 685 N MET A 45 -5.032 -2.559 -0.063 1.00 0.00 N ATOM 686 CA MET A 45 -4.957 -3.911 -0.620 1.00 0.00 C ATOM 687 C MET A 45 -6.004 -4.814 0.034 1.00 0.00 C ATOM 688 O MET A 45 -6.527 -5.733 -0.598 1.00 0.00 O ATOM 689 CB MET A 45 -3.568 -4.516 -0.394 1.00 0.00 C ATOM 690 CG MET A 45 -2.511 -3.645 -1.075 1.00 0.00 C ATOM 691 SD MET A 45 -0.888 -4.430 -0.918 1.00 0.00 S ATOM 692 CE MET A 45 -0.545 -3.888 0.774 1.00 0.00 C ATOM 0 H MET A 45 -4.256 -2.308 0.550 1.00 0.00 H new ATOM 0 HA MET A 45 -5.149 -3.842 -1.691 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.361 -4.588 0.674 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.532 -5.529 -0.795 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.760 -3.508 -2.127 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.493 -2.654 -0.620 1.00 0.00 H new ATOM 0 HE1 MET A 45 0.228 -3.120 0.760 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.454 -3.480 1.217 1.00 0.00 H new ATOM 0 HE3 MET A 45 -0.203 -4.737 1.366 1.00 0.00 H new ATOM 702 N ARG A 46 -6.310 -4.530 1.306 1.00 0.00 N ATOM 703 CA ARG A 46 -7.305 -5.308 2.050 1.00 0.00 C ATOM 704 C ARG A 46 -8.672 -5.225 1.367 1.00 0.00 C ATOM 705 O ARG A 46 -9.384 -6.225 1.258 1.00 0.00 O ATOM 706 CB ARG A 46 -7.434 -4.788 3.487 1.00 0.00 C ATOM 707 CG ARG A 46 -6.927 -5.849 4.469 1.00 0.00 C ATOM 708 CD ARG A 46 -8.021 -6.894 4.710 1.00 0.00 C ATOM 709 NE ARG A 46 -9.141 -6.318 5.461 1.00 0.00 N ATOM 710 CZ ARG A 46 -10.290 -6.986 5.638 1.00 0.00 C ATOM 711 NH1 ARG A 46 -10.447 -8.194 5.147 1.00 0.00 N ATOM 712 NH2 ARG A 46 -11.265 -6.428 6.309 1.00 0.00 N ATOM 0 H ARG A 46 -5.885 -3.771 1.838 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.970 -6.345 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.861 -3.868 3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.474 -4.546 3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.033 -6.329 4.071 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.644 -5.380 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.378 -7.279 3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.607 -7.740 5.259 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.043 -5.384 5.859 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.690 -8.634 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.326 -8.692 5.289 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.148 -5.491 6.694 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.142 -6.930 6.447 1.00 0.00 H new ATOM 726 N MET A 47 -9.024 -4.020 0.903 1.00 0.00 N ATOM 727 CA MET A 47 -10.305 -3.811 0.222 1.00 0.00 C ATOM 728 C MET A 47 -10.284 -4.441 -1.174 1.00 0.00 C ATOM 729 O MET A 47 -11.292 -4.978 -1.636 1.00 0.00 O ATOM 730 CB MET A 47 -10.610 -2.316 0.095 1.00 0.00 C ATOM 731 CG MET A 47 -11.378 -1.847 1.333 1.00 0.00 C ATOM 732 SD MET A 47 -11.684 -0.067 1.216 1.00 0.00 S ATOM 733 CE MET A 47 -13.293 -0.167 0.392 1.00 0.00 C ATOM 0 H MET A 47 -8.446 -3.184 0.986 1.00 0.00 H new ATOM 0 HA MET A 47 -11.082 -4.288 0.820 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.683 -1.752 -0.007 1.00 0.00 H new ATOM 0 HB3 MET A 47 -11.198 -2.129 -0.804 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.323 -2.385 1.413 1.00 0.00 H new ATOM 0 HG3 MET A 47 -10.807 -2.070 2.234 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.676 0.839 0.219 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.182 -0.683 -0.562 1.00 0.00 H new ATOM 0 HE3 MET A 47 -13.991 -0.717 1.023 1.00 0.00 H new ATOM 743 N LEU A 48 -9.122 -4.374 -1.837 1.00 0.00 N ATOM 744 CA LEU A 48 -8.971 -4.945 -3.177 1.00 0.00 C ATOM 745 C LEU A 48 -9.171 -6.464 -3.137 1.00 0.00 C ATOM 746 O LEU A 48 -9.959 -7.016 -3.908 1.00 0.00 O ATOM 747 CB LEU A 48 -7.575 -4.637 -3.738 1.00 0.00 C ATOM 748 CG LEU A 48 -7.523 -4.255 -5.224 1.00 0.00 C ATOM 749 CD1 LEU A 48 -8.295 -5.283 -6.052 1.00 0.00 C ATOM 750 CD2 LEU A 48 -8.150 -2.871 -5.421 1.00 0.00 C ATOM 0 H LEU A 48 -8.279 -3.933 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 48 -9.727 -4.497 -3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.142 -3.823 -3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.941 -5.510 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.483 -4.236 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.254 -5.006 -7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.848 -6.268 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.334 -5.309 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.112 -2.601 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.188 -2.891 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.597 -2.135 -4.838 1.00 0.00 H new ATOM 762 N GLY A 49 -8.452 -7.126 -2.226 1.00 0.00 N ATOM 763 CA GLY A 49 -8.555 -8.581 -2.081 1.00 0.00 C ATOM 764 C GLY A 49 -7.200 -9.199 -1.731 1.00 0.00 C ATOM 765 O GLY A 49 -6.741 -10.128 -2.398 1.00 0.00 O ATOM 0 H GLY A 49 -7.797 -6.682 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.279 -8.821 -1.303 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.928 -9.016 -3.008 1.00 0.00 H new ATOM 769 N GLN A 50 -6.572 -8.673 -0.675 1.00 0.00 N ATOM 770 CA GLN A 50 -5.267 -9.174 -0.230 1.00 0.00 C ATOM 771 C GLN A 50 -5.053 -8.858 1.250 1.00 0.00 C ATOM 772 O GLN A 50 -5.500 -7.823 1.746 1.00 0.00 O ATOM 773 CB GLN A 50 -4.138 -8.534 -1.045 1.00 0.00 C ATOM 774 CG GLN A 50 -3.652 -9.524 -2.106 1.00 0.00 C ATOM 775 CD GLN A 50 -2.335 -9.032 -2.701 1.00 0.00 C ATOM 776 OE1 GLN A 50 -1.276 -9.183 -2.090 1.00 0.00 O ATOM 777 NE2 GLN A 50 -2.337 -8.446 -3.868 1.00 0.00 N ATOM 0 H GLN A 50 -6.943 -7.905 -0.115 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.253 -10.254 -0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -4.491 -7.619 -1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -3.314 -8.254 -0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.516 -10.510 -1.662 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.401 -9.628 -2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.214 -8.321 -4.374 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.462 -8.114 -4.273 1.00 0.00 H new ATOM 786 N ASN A 51 -4.365 -9.763 1.951 1.00 0.00 N ATOM 787 CA ASN A 51 -4.103 -9.568 3.377 1.00 0.00 C ATOM 788 C ASN A 51 -2.690 -10.036 3.746 1.00 0.00 C ATOM 789 O ASN A 51 -2.497 -11.149 4.244 1.00 0.00 O ATOM 790 CB ASN A 51 -5.134 -10.335 4.216 1.00 0.00 C ATOM 791 CG ASN A 51 -5.120 -9.807 5.649 1.00 0.00 C ATOM 792 OD1 ASN A 51 -5.462 -8.650 5.895 1.00 0.00 O ATOM 793 ND2 ASN A 51 -4.740 -10.595 6.618 1.00 0.00 N ATOM 0 H ASN A 51 -3.985 -10.625 1.561 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.183 -8.502 3.590 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.128 -10.219 3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.905 -11.401 4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.726 -10.252 7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.457 -11.553 6.415 1.00 0.00 H new ATOM 800 N PRO A 52 -1.689 -9.178 3.510 1.00 0.00 N ATOM 801 CA PRO A 52 -0.279 -9.486 3.828 1.00 0.00 C ATOM 802 C PRO A 52 0.068 -9.210 5.296 1.00 0.00 C ATOM 803 O PRO A 52 -0.817 -9.015 6.132 1.00 0.00 O ATOM 804 CB PRO A 52 0.472 -8.528 2.907 1.00 0.00 C ATOM 805 CG PRO A 52 -0.473 -7.374 2.598 1.00 0.00 C ATOM 806 CD PRO A 52 -1.898 -7.846 2.907 1.00 0.00 C ATOM 0 HA PRO A 52 -0.035 -10.539 3.684 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.381 -8.164 3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.776 -9.033 1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.220 -6.501 3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -0.386 -7.077 1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.407 -7.169 3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.508 -7.903 2.005 1.00 0.00 H new ATOM 814 N THR A 53 1.370 -9.189 5.591 1.00 0.00 N ATOM 815 CA THR A 53 1.844 -8.928 6.953 1.00 0.00 C ATOM 816 C THR A 53 2.495 -7.540 7.013 1.00 0.00 C ATOM 817 O THR A 53 2.660 -6.885 5.982 1.00 0.00 O ATOM 818 CB THR A 53 2.863 -10.000 7.390 1.00 0.00 C ATOM 819 OG1 THR A 53 4.167 -9.642 6.947 1.00 0.00 O ATOM 820 CG2 THR A 53 2.486 -11.358 6.796 1.00 0.00 C ATOM 0 H THR A 53 2.112 -9.349 4.909 1.00 0.00 H new ATOM 0 HA THR A 53 0.992 -8.963 7.632 1.00 0.00 H new ATOM 0 HB THR A 53 2.853 -10.065 8.478 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.808 -10.327 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.212 -12.107 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.494 -11.645 7.145 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.483 -11.291 5.708 1.00 0.00 H new ATOM 828 N PRO A 54 2.887 -7.079 8.207 1.00 0.00 N ATOM 829 CA PRO A 54 3.537 -5.759 8.359 1.00 0.00 C ATOM 830 C PRO A 54 4.970 -5.750 7.824 1.00 0.00 C ATOM 831 O PRO A 54 5.469 -4.720 7.366 1.00 0.00 O ATOM 832 CB PRO A 54 3.497 -5.541 9.867 1.00 0.00 C ATOM 833 CG PRO A 54 3.374 -6.914 10.509 1.00 0.00 C ATOM 834 CD PRO A 54 2.724 -7.833 9.471 1.00 0.00 C ATOM 0 HA PRO A 54 3.039 -4.973 7.791 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.400 -5.035 10.208 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.653 -4.909 10.143 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.353 -7.293 10.801 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.769 -6.864 11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.217 -8.804 9.428 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.674 -8.018 9.698 1.00 0.00 H new ATOM 842 N GLU A 55 5.616 -6.918 7.869 1.00 0.00 N ATOM 843 CA GLU A 55 6.984 -7.054 7.368 1.00 0.00 C ATOM 844 C GLU A 55 6.967 -7.278 5.853 1.00 0.00 C ATOM 845 O GLU A 55 7.822 -6.767 5.127 1.00 0.00 O ATOM 846 CB GLU A 55 7.694 -8.239 8.036 1.00 0.00 C ATOM 847 CG GLU A 55 7.425 -8.227 9.545 1.00 0.00 C ATOM 848 CD GLU A 55 8.281 -9.291 10.227 1.00 0.00 C ATOM 849 OE1 GLU A 55 7.818 -10.415 10.337 1.00 0.00 O ATOM 850 OE2 GLU A 55 9.387 -8.966 10.630 1.00 0.00 O ATOM 0 H GLU A 55 5.216 -7.778 8.245 1.00 0.00 H new ATOM 0 HA GLU A 55 7.522 -6.136 7.603 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.343 -9.175 7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.766 -8.184 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.652 -7.244 9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.369 -8.417 9.738 1.00 0.00 H new ATOM 857 N GLU A 56 5.977 -8.054 5.390 1.00 0.00 N ATOM 858 CA GLU A 56 5.836 -8.357 3.963 1.00 0.00 C ATOM 859 C GLU A 56 5.426 -7.111 3.175 1.00 0.00 C ATOM 860 O GLU A 56 6.058 -6.765 2.174 1.00 0.00 O ATOM 861 CB GLU A 56 4.783 -9.450 3.754 1.00 0.00 C ATOM 862 CG GLU A 56 5.029 -10.161 2.420 1.00 0.00 C ATOM 863 CD GLU A 56 4.219 -11.454 2.375 1.00 0.00 C ATOM 864 OE1 GLU A 56 3.058 -11.389 2.005 1.00 0.00 O ATOM 865 OE2 GLU A 56 4.771 -12.488 2.712 1.00 0.00 O ATOM 0 H GLU A 56 5.265 -8.481 5.983 1.00 0.00 H new ATOM 0 HA GLU A 56 6.804 -8.703 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.825 -10.169 4.572 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.785 -9.012 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.744 -9.512 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.090 -10.380 2.303 1.00 0.00 H new ATOM 872 N LEU A 57 4.362 -6.440 3.638 1.00 0.00 N ATOM 873 CA LEU A 57 3.875 -5.229 2.966 1.00 0.00 C ATOM 874 C LEU A 57 4.949 -4.134 2.960 1.00 0.00 C ATOM 875 O LEU A 57 4.992 -3.308 2.047 1.00 0.00 O ATOM 876 CB LEU A 57 2.594 -4.709 3.646 1.00 0.00 C ATOM 877 CG LEU A 57 2.651 -3.277 4.201 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.231 -2.728 4.353 1.00 0.00 C ATOM 879 CD2 LEU A 57 3.346 -3.281 5.568 1.00 0.00 C ATOM 0 H LEU A 57 3.829 -6.711 4.464 1.00 0.00 H new ATOM 0 HA LEU A 57 3.644 -5.490 1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.778 -4.765 2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.343 -5.384 4.465 1.00 0.00 H new ATOM 0 HG LEU A 57 3.212 -2.646 3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.274 -1.712 4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.738 -2.720 3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.668 -3.360 5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.385 -2.264 5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.788 -3.914 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.359 -3.667 5.460 1.00 0.00 H new ATOM 891 N GLN A 58 5.812 -4.133 3.988 1.00 0.00 N ATOM 892 CA GLN A 58 6.879 -3.134 4.085 1.00 0.00 C ATOM 893 C GLN A 58 7.715 -3.105 2.804 1.00 0.00 C ATOM 894 O GLN A 58 8.046 -2.035 2.290 1.00 0.00 O ATOM 895 CB GLN A 58 7.800 -3.432 5.277 1.00 0.00 C ATOM 896 CG GLN A 58 7.947 -2.178 6.149 1.00 0.00 C ATOM 897 CD GLN A 58 8.519 -1.032 5.315 1.00 0.00 C ATOM 898 OE1 GLN A 58 9.733 -0.931 5.139 1.00 0.00 O ATOM 899 NE2 GLN A 58 7.707 -0.152 4.789 1.00 0.00 N ATOM 0 H GLN A 58 5.790 -4.806 4.754 1.00 0.00 H new ATOM 0 HA GLN A 58 6.406 -2.163 4.229 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.391 -4.251 5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.778 -3.754 4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.978 -1.893 6.559 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.602 -2.387 6.995 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.701 -0.235 4.935 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.080 0.618 4.233 1.00 0.00 H new ATOM 908 N GLU A 59 8.044 -4.296 2.293 1.00 0.00 N ATOM 909 CA GLU A 59 8.836 -4.405 1.064 1.00 0.00 C ATOM 910 C GLU A 59 8.060 -3.851 -0.132 1.00 0.00 C ATOM 911 O GLU A 59 8.626 -3.169 -0.987 1.00 0.00 O ATOM 912 CB GLU A 59 9.199 -5.867 0.780 1.00 0.00 C ATOM 913 CG GLU A 59 10.184 -6.370 1.840 1.00 0.00 C ATOM 914 CD GLU A 59 11.005 -7.521 1.265 1.00 0.00 C ATOM 915 OE1 GLU A 59 11.975 -7.246 0.578 1.00 0.00 O ATOM 916 OE2 GLU A 59 10.652 -8.661 1.521 1.00 0.00 O ATOM 0 H GLU A 59 7.777 -5.190 2.706 1.00 0.00 H new ATOM 0 HA GLU A 59 9.747 -3.824 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.299 -6.483 0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.641 -5.956 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.843 -5.560 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.643 -6.702 2.726 1.00 0.00 H new ATOM 923 N MET A 60 6.755 -4.151 -0.181 1.00 0.00 N ATOM 924 CA MET A 60 5.903 -3.680 -1.277 1.00 0.00 C ATOM 925 C MET A 60 5.857 -2.151 -1.314 1.00 0.00 C ATOM 926 O MET A 60 5.927 -1.548 -2.385 1.00 0.00 O ATOM 927 CB MET A 60 4.476 -4.219 -1.122 1.00 0.00 C ATOM 928 CG MET A 60 4.381 -5.608 -1.759 1.00 0.00 C ATOM 929 SD MET A 60 2.673 -5.923 -2.271 1.00 0.00 S ATOM 930 CE MET A 60 2.126 -6.745 -0.754 1.00 0.00 C ATOM 0 H MET A 60 6.271 -4.713 0.520 1.00 0.00 H new ATOM 0 HA MET A 60 6.332 -4.049 -2.209 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.209 -4.273 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.767 -3.541 -1.596 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.047 -5.671 -2.619 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.705 -6.368 -1.048 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.079 -7.031 -0.852 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.731 -7.636 -0.585 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.239 -6.064 0.090 1.00 0.00 H new ATOM 940 N ILE A 61 5.735 -1.536 -0.132 1.00 0.00 N ATOM 941 CA ILE A 61 5.677 -0.078 -0.026 1.00 0.00 C ATOM 942 C ILE A 61 6.901 0.569 -0.679 1.00 0.00 C ATOM 943 O ILE A 61 6.788 1.227 -1.712 1.00 0.00 O ATOM 944 CB ILE A 61 5.607 0.326 1.452 1.00 0.00 C ATOM 945 CG1 ILE A 61 4.250 -0.095 2.017 1.00 0.00 C ATOM 946 CG2 ILE A 61 5.782 1.839 1.596 1.00 0.00 C ATOM 947 CD1 ILE A 61 4.414 -0.505 3.477 1.00 0.00 C ATOM 0 H ILE A 61 5.675 -2.026 0.761 1.00 0.00 H new ATOM 0 HA ILE A 61 4.786 0.271 -0.548 1.00 0.00 H new ATOM 0 HB ILE A 61 6.407 -0.169 2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.539 0.727 1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.844 -0.925 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.730 2.113 2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.751 2.133 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.990 2.351 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.447 -0.805 3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.111 -1.340 3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.801 0.337 4.050 1.00 0.00 H new ATOM 959 N ASP A 62 8.067 0.379 -0.056 1.00 0.00 N ATOM 960 CA ASP A 62 9.318 0.949 -0.571 1.00 0.00 C ATOM 961 C ASP A 62 9.526 0.605 -2.052 1.00 0.00 C ATOM 962 O ASP A 62 10.055 1.416 -2.815 1.00 0.00 O ATOM 963 CB ASP A 62 10.512 0.421 0.229 1.00 0.00 C ATOM 964 CG ASP A 62 10.436 0.933 1.665 1.00 0.00 C ATOM 965 OD1 ASP A 62 10.891 2.040 1.904 1.00 0.00 O ATOM 966 OD2 ASP A 62 9.924 0.211 2.503 1.00 0.00 O ATOM 0 H ASP A 62 8.173 -0.162 0.802 1.00 0.00 H new ATOM 0 HA ASP A 62 9.247 2.032 -0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.514 -0.669 0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.444 0.745 -0.234 1.00 0.00 H new ATOM 971 N GLU A 63 9.109 -0.605 -2.446 1.00 0.00 N ATOM 972 CA GLU A 63 9.260 -1.051 -3.835 1.00 0.00 C ATOM 973 C GLU A 63 8.464 -0.164 -4.794 1.00 0.00 C ATOM 974 O GLU A 63 9.011 0.358 -5.768 1.00 0.00 O ATOM 975 CB GLU A 63 8.780 -2.498 -3.989 1.00 0.00 C ATOM 976 CG GLU A 63 9.942 -3.458 -3.728 1.00 0.00 C ATOM 977 CD GLU A 63 9.463 -4.897 -3.911 1.00 0.00 C ATOM 978 OE1 GLU A 63 9.012 -5.480 -2.937 1.00 0.00 O ATOM 979 OE2 GLU A 63 9.553 -5.394 -5.022 1.00 0.00 O ATOM 0 H GLU A 63 8.668 -1.287 -1.828 1.00 0.00 H new ATOM 0 HA GLU A 63 10.319 -0.983 -4.083 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.967 -2.698 -3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.384 -2.655 -4.992 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.763 -3.247 -4.413 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.325 -3.316 -2.717 1.00 0.00 H new ATOM 986 N VAL A 64 7.165 -0.006 -4.517 1.00 0.00 N ATOM 987 CA VAL A 64 6.296 0.812 -5.375 1.00 0.00 C ATOM 988 C VAL A 64 6.608 2.306 -5.232 1.00 0.00 C ATOM 989 O VAL A 64 6.372 3.084 -6.160 1.00 0.00 O ATOM 990 CB VAL A 64 4.813 0.588 -5.041 1.00 0.00 C ATOM 991 CG1 VAL A 64 4.485 -0.907 -5.084 1.00 0.00 C ATOM 992 CG2 VAL A 64 4.506 1.140 -3.644 1.00 0.00 C ATOM 0 H VAL A 64 6.695 -0.427 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 64 6.491 0.500 -6.401 1.00 0.00 H new ATOM 0 HB VAL A 64 4.203 1.109 -5.779 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.432 -1.055 -4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.690 -1.296 -6.081 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.100 -1.435 -4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.453 0.979 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.123 0.627 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.723 2.208 -3.619 1.00 0.00 H new ATOM 1002 N ASP A 65 7.124 2.702 -4.061 1.00 0.00 N ATOM 1003 CA ASP A 65 7.446 4.105 -3.812 1.00 0.00 C ATOM 1004 C ASP A 65 8.666 4.521 -4.631 1.00 0.00 C ATOM 1005 O ASP A 65 9.807 4.441 -4.170 1.00 0.00 O ATOM 1006 CB ASP A 65 7.722 4.345 -2.320 1.00 0.00 C ATOM 1007 CG ASP A 65 7.088 5.663 -1.874 1.00 0.00 C ATOM 1008 OD1 ASP A 65 7.286 6.659 -2.549 1.00 0.00 O ATOM 1009 OD2 ASP A 65 6.412 5.655 -0.861 1.00 0.00 O ATOM 0 H ASP A 65 7.324 2.075 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 65 6.588 4.707 -4.111 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.320 3.521 -1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.797 4.370 -2.140 1.00 0.00 H new ATOM 1014 N GLU A 66 8.402 4.957 -5.861 1.00 0.00 N ATOM 1015 CA GLU A 66 9.473 5.382 -6.765 1.00 0.00 C ATOM 1016 C GLU A 66 10.033 6.749 -6.357 1.00 0.00 C ATOM 1017 O GLU A 66 11.229 7.006 -6.502 1.00 0.00 O ATOM 1018 CB GLU A 66 8.956 5.460 -8.206 1.00 0.00 C ATOM 1019 CG GLU A 66 8.916 4.052 -8.809 1.00 0.00 C ATOM 1020 CD GLU A 66 8.184 4.086 -10.148 1.00 0.00 C ATOM 1021 OE1 GLU A 66 6.967 4.004 -10.138 1.00 0.00 O ATOM 1022 OE2 GLU A 66 8.854 4.189 -11.165 1.00 0.00 O ATOM 0 H GLU A 66 7.463 5.026 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 66 10.271 4.642 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.960 5.903 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.602 6.104 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.930 3.676 -8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.413 3.368 -8.126 1.00 0.00 H new ATOM 1029 N ASP A 67 9.157 7.619 -5.846 1.00 0.00 N ATOM 1030 CA ASP A 67 9.579 8.961 -5.422 1.00 0.00 C ATOM 1031 C ASP A 67 10.184 8.931 -4.015 1.00 0.00 C ATOM 1032 O ASP A 67 11.223 9.544 -3.764 1.00 0.00 O ATOM 1033 CB ASP A 67 8.402 9.955 -5.448 1.00 0.00 C ATOM 1034 CG ASP A 67 7.135 9.308 -4.886 1.00 0.00 C ATOM 1035 OD1 ASP A 67 6.403 8.710 -5.658 1.00 0.00 O ATOM 1036 OD2 ASP A 67 6.913 9.420 -3.691 1.00 0.00 O ATOM 0 H ASP A 67 8.164 7.424 -5.716 1.00 0.00 H new ATOM 0 HA ASP A 67 10.337 9.294 -6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.654 10.840 -4.864 1.00 0.00 H new ATOM 0 HB3 ASP A 67 8.223 10.288 -6.470 1.00 0.00 H new ATOM 1041 N GLY A 68 9.520 8.220 -3.098 1.00 0.00 N ATOM 1042 CA GLY A 68 9.993 8.124 -1.717 1.00 0.00 C ATOM 1043 C GLY A 68 9.661 9.402 -0.947 1.00 0.00 C ATOM 1044 O GLY A 68 10.514 9.960 -0.253 1.00 0.00 O ATOM 0 H GLY A 68 8.659 7.706 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.531 7.267 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.070 7.955 -1.706 1.00 0.00 H new ATOM 1048 N SER A 69 8.412 9.861 -1.086 1.00 0.00 N ATOM 1049 CA SER A 69 7.970 11.081 -0.409 1.00 0.00 C ATOM 1050 C SER A 69 7.297 10.752 0.925 1.00 0.00 C ATOM 1051 O SER A 69 7.663 11.297 1.969 1.00 0.00 O ATOM 1052 CB SER A 69 6.991 11.864 -1.291 1.00 0.00 C ATOM 1053 OG SER A 69 5.870 11.045 -1.609 1.00 0.00 O ATOM 0 H SER A 69 7.697 9.410 -1.656 1.00 0.00 H new ATOM 0 HA SER A 69 8.853 11.692 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.660 12.764 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.489 12.187 -2.205 1.00 0.00 H new ATOM 0 HG SER A 69 6.110 10.428 -2.332 1.00 0.00 H new ATOM 1059 N GLY A 70 6.301 9.861 0.877 1.00 0.00 N ATOM 1060 CA GLY A 70 5.572 9.468 2.084 1.00 0.00 C ATOM 1061 C GLY A 70 4.163 8.977 1.744 1.00 0.00 C ATOM 1062 O GLY A 70 3.608 8.127 2.442 1.00 0.00 O ATOM 0 H GLY A 70 5.984 9.403 0.023 1.00 0.00 H new ATOM 0 HA2 GLY A 70 6.119 8.681 2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.510 10.315 2.767 1.00 0.00 H new ATOM 1066 N THR A 71 3.590 9.525 0.667 1.00 0.00 N ATOM 1067 CA THR A 71 2.244 9.138 0.242 1.00 0.00 C ATOM 1068 C THR A 71 2.303 8.270 -1.011 1.00 0.00 C ATOM 1069 O THR A 71 3.204 8.409 -1.842 1.00 0.00 O ATOM 1070 CB THR A 71 1.387 10.378 -0.051 1.00 0.00 C ATOM 1071 OG1 THR A 71 1.923 11.083 -1.168 1.00 0.00 O ATOM 1072 CG2 THR A 71 1.370 11.290 1.178 1.00 0.00 C ATOM 0 H THR A 71 4.034 10.231 0.080 1.00 0.00 H new ATOM 0 HA THR A 71 1.793 8.571 1.056 1.00 0.00 H new ATOM 0 HB THR A 71 0.369 10.066 -0.283 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.191 11.461 -1.698 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.762 12.170 0.970 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.949 10.750 2.026 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.388 11.600 1.415 1.00 0.00 H new ATOM 1080 N VAL A 72 1.322 7.376 -1.137 1.00 0.00 N ATOM 1081 CA VAL A 72 1.255 6.487 -2.293 1.00 0.00 C ATOM 1082 C VAL A 72 0.244 7.016 -3.302 1.00 0.00 C ATOM 1083 O VAL A 72 -0.962 7.034 -3.047 1.00 0.00 O ATOM 1084 CB VAL A 72 0.843 5.073 -1.873 1.00 0.00 C ATOM 1085 CG1 VAL A 72 0.953 4.128 -3.074 1.00 0.00 C ATOM 1086 CG2 VAL A 72 1.760 4.581 -0.751 1.00 0.00 C ATOM 0 H VAL A 72 0.570 7.250 -0.459 1.00 0.00 H new ATOM 0 HA VAL A 72 2.247 6.450 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.187 5.089 -1.517 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.660 3.122 -2.774 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.296 4.475 -3.871 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.982 4.114 -3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.464 3.575 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.791 4.567 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.678 5.250 0.105 1.00 0.00 H new ATOM 1096 N ASP A 73 0.753 7.437 -4.456 1.00 0.00 N ATOM 1097 CA ASP A 73 -0.107 7.953 -5.514 1.00 0.00 C ATOM 1098 C ASP A 73 -0.626 6.798 -6.367 1.00 0.00 C ATOM 1099 O ASP A 73 -0.326 5.632 -6.102 1.00 0.00 O ATOM 1100 CB ASP A 73 0.663 8.942 -6.399 1.00 0.00 C ATOM 1101 CG ASP A 73 0.962 10.211 -5.604 1.00 0.00 C ATOM 1102 OD1 ASP A 73 0.064 11.026 -5.465 1.00 0.00 O ATOM 1103 OD2 ASP A 73 2.083 10.350 -5.144 1.00 0.00 O ATOM 0 H ASP A 73 1.748 7.431 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 73 -0.948 8.474 -5.056 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.592 8.489 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.077 9.185 -7.286 1.00 0.00 H new ATOM 1108 N PHE A 74 -1.413 7.129 -7.389 1.00 0.00 N ATOM 1109 CA PHE A 74 -1.977 6.107 -8.272 1.00 0.00 C ATOM 1110 C PHE A 74 -0.878 5.385 -9.056 1.00 0.00 C ATOM 1111 O PHE A 74 -0.993 4.191 -9.332 1.00 0.00 O ATOM 1112 CB PHE A 74 -2.970 6.738 -9.253 1.00 0.00 C ATOM 1113 CG PHE A 74 -3.938 5.688 -9.749 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -4.484 4.755 -8.858 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -4.287 5.652 -11.101 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -5.379 3.787 -9.322 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -5.184 4.684 -11.566 1.00 0.00 C ATOM 1118 CZ PHE A 74 -5.730 3.750 -10.677 1.00 0.00 C ATOM 0 H PHE A 74 -1.673 8.086 -7.626 1.00 0.00 H new ATOM 0 HA PHE A 74 -2.495 5.380 -7.647 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.515 7.546 -8.764 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.434 7.178 -10.094 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.213 4.784 -7.813 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.865 6.371 -11.787 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.800 3.067 -8.635 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -5.455 4.657 -12.611 1.00 0.00 H new ATOM 0 HZ PHE A 74 -6.421 3.002 -11.036 1.00 0.00 H new ATOM 1128 N ASP A 75 0.193 6.110 -9.396 1.00 0.00 N ATOM 1129 CA ASP A 75 1.310 5.513 -10.135 1.00 0.00 C ATOM 1130 C ASP A 75 1.987 4.434 -9.287 1.00 0.00 C ATOM 1131 O ASP A 75 2.356 3.372 -9.791 1.00 0.00 O ATOM 1132 CB ASP A 75 2.344 6.580 -10.510 1.00 0.00 C ATOM 1133 CG ASP A 75 2.071 7.086 -11.924 1.00 0.00 C ATOM 1134 OD1 ASP A 75 1.248 7.976 -12.066 1.00 0.00 O ATOM 1135 OD2 ASP A 75 2.689 6.576 -12.844 1.00 0.00 O ATOM 0 H ASP A 75 0.310 7.099 -9.175 1.00 0.00 H new ATOM 0 HA ASP A 75 0.912 5.067 -11.046 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.300 7.408 -9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.349 6.163 -10.450 1.00 0.00 H new ATOM 1140 N GLU A 76 2.122 4.719 -7.989 1.00 0.00 N ATOM 1141 CA GLU A 76 2.734 3.770 -7.051 1.00 0.00 C ATOM 1142 C GLU A 76 1.712 2.703 -6.640 1.00 0.00 C ATOM 1143 O GLU A 76 2.072 1.612 -6.197 1.00 0.00 O ATOM 1144 CB GLU A 76 3.227 4.493 -5.789 1.00 0.00 C ATOM 1145 CG GLU A 76 3.879 5.828 -6.172 1.00 0.00 C ATOM 1146 CD GLU A 76 4.135 6.660 -4.916 1.00 0.00 C ATOM 1147 OE1 GLU A 76 4.819 6.176 -4.033 1.00 0.00 O ATOM 1148 OE2 GLU A 76 3.646 7.772 -4.857 1.00 0.00 O ATOM 0 H GLU A 76 1.818 5.595 -7.564 1.00 0.00 H new ATOM 0 HA GLU A 76 3.581 3.302 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.392 4.668 -5.110 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.944 3.867 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.817 5.647 -6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.231 6.376 -6.856 1.00 0.00 H new ATOM 1155 N PHE A 77 0.431 3.043 -6.792 1.00 0.00 N ATOM 1156 CA PHE A 77 -0.656 2.132 -6.443 1.00 0.00 C ATOM 1157 C PHE A 77 -0.840 1.061 -7.531 1.00 0.00 C ATOM 1158 O PHE A 77 -1.103 -0.103 -7.225 1.00 0.00 O ATOM 1159 CB PHE A 77 -1.956 2.929 -6.268 1.00 0.00 C ATOM 1160 CG PHE A 77 -3.066 2.024 -5.794 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -3.216 1.747 -4.428 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -3.944 1.462 -6.726 1.00 0.00 C ATOM 1163 CE1 PHE A 77 -4.248 0.907 -3.999 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -4.975 0.622 -6.294 1.00 0.00 C ATOM 1165 CZ PHE A 77 -5.127 0.344 -4.930 1.00 0.00 C ATOM 0 H PHE A 77 0.122 3.945 -7.155 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.406 1.630 -5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.803 3.734 -5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.235 3.394 -7.213 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -2.537 2.181 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.826 1.676 -7.778 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.367 0.693 -2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.654 0.188 -7.012 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.923 -0.305 -4.597 1.00 0.00 H new ATOM 1175 N LEU A 78 -0.708 1.470 -8.799 1.00 0.00 N ATOM 1176 CA LEU A 78 -0.870 0.544 -9.925 1.00 0.00 C ATOM 1177 C LEU A 78 0.342 -0.382 -10.088 1.00 0.00 C ATOM 1178 O LEU A 78 0.187 -1.551 -10.443 1.00 0.00 O ATOM 1179 CB LEU A 78 -1.063 1.326 -11.223 1.00 0.00 C ATOM 1180 CG LEU A 78 -2.343 2.164 -11.297 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -2.059 3.439 -12.089 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -3.446 1.361 -11.992 1.00 0.00 C ATOM 0 H LEU A 78 -0.491 2.429 -9.069 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.747 -0.067 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.207 1.987 -11.361 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.060 0.623 -12.056 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.671 2.422 -10.290 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.966 4.041 -12.146 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.275 4.010 -11.591 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.733 3.177 -13.096 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.355 1.960 -12.043 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.126 1.101 -13.001 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.643 0.450 -11.428 1.00 0.00 H new ATOM 1194 N VAL A 79 1.548 0.149 -9.838 1.00 0.00 N ATOM 1195 CA VAL A 79 2.780 -0.653 -9.974 1.00 0.00 C ATOM 1196 C VAL A 79 2.744 -1.896 -9.081 1.00 0.00 C ATOM 1197 O VAL A 79 3.395 -2.897 -9.373 1.00 0.00 O ATOM 1198 CB VAL A 79 4.032 0.162 -9.623 1.00 0.00 C ATOM 1199 CG1 VAL A 79 4.314 1.182 -10.728 1.00 0.00 C ATOM 1200 CG2 VAL A 79 3.834 0.893 -8.293 1.00 0.00 C ATOM 0 H VAL A 79 1.699 1.114 -9.545 1.00 0.00 H new ATOM 0 HA VAL A 79 2.829 -0.957 -11.020 1.00 0.00 H new ATOM 0 HB VAL A 79 4.878 -0.520 -9.532 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.204 1.758 -10.473 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.477 0.661 -11.671 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.463 1.855 -10.828 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.730 1.467 -8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.981 1.567 -8.372 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.650 0.166 -7.502 1.00 0.00 H new ATOM 1210 N MET A 80 1.979 -1.820 -7.992 1.00 0.00 N ATOM 1211 CA MET A 80 1.857 -2.942 -7.056 1.00 0.00 C ATOM 1212 C MET A 80 1.550 -4.262 -7.783 1.00 0.00 C ATOM 1213 O MET A 80 2.010 -5.327 -7.367 1.00 0.00 O ATOM 1214 CB MET A 80 0.733 -2.667 -6.055 1.00 0.00 C ATOM 1215 CG MET A 80 1.314 -2.066 -4.775 1.00 0.00 C ATOM 1216 SD MET A 80 0.113 -2.233 -3.431 1.00 0.00 S ATOM 1217 CE MET A 80 -1.114 -1.063 -4.065 1.00 0.00 C ATOM 0 H MET A 80 1.435 -0.996 -7.735 1.00 0.00 H new ATOM 0 HA MET A 80 2.814 -3.039 -6.543 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.005 -1.983 -6.491 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.204 -3.592 -5.826 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.243 -2.572 -4.512 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.557 -1.015 -4.932 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.847 -0.848 -3.288 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.617 -0.139 -4.361 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.618 -1.496 -4.929 1.00 0.00 H new ATOM 1227 N MET A 81 0.754 -4.183 -8.860 1.00 0.00 N ATOM 1228 CA MET A 81 0.379 -5.385 -9.618 1.00 0.00 C ATOM 1229 C MET A 81 1.558 -5.961 -10.421 1.00 0.00 C ATOM 1230 O MET A 81 1.717 -7.180 -10.503 1.00 0.00 O ATOM 1231 CB MET A 81 -0.802 -5.093 -10.562 1.00 0.00 C ATOM 1232 CG MET A 81 -0.392 -4.116 -11.672 1.00 0.00 C ATOM 1233 SD MET A 81 -0.279 -5.005 -13.246 1.00 0.00 S ATOM 1234 CE MET A 81 -2.002 -4.790 -13.759 1.00 0.00 C ATOM 0 H MET A 81 0.363 -3.313 -9.221 1.00 0.00 H new ATOM 0 HA MET A 81 0.078 -6.134 -8.885 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.157 -6.024 -11.005 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.632 -4.674 -9.993 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.121 -3.309 -11.749 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.567 -3.657 -11.431 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.157 -5.271 -14.725 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.661 -5.242 -13.018 1.00 0.00 H new ATOM 0 HE3 MET A 81 -2.227 -3.727 -13.843 1.00 0.00 H new ATOM 1244 N VAL A 82 2.381 -5.083 -11.007 1.00 0.00 N ATOM 1245 CA VAL A 82 3.539 -5.538 -11.794 1.00 0.00 C ATOM 1246 C VAL A 82 4.703 -5.938 -10.883 1.00 0.00 C ATOM 1247 O VAL A 82 5.494 -6.819 -11.227 1.00 0.00 O ATOM 1248 CB VAL A 82 4.022 -4.452 -12.769 1.00 0.00 C ATOM 1249 CG1 VAL A 82 2.974 -4.234 -13.861 1.00 0.00 C ATOM 1250 CG2 VAL A 82 4.255 -3.137 -12.022 1.00 0.00 C ATOM 0 H VAL A 82 2.272 -4.070 -10.955 1.00 0.00 H new ATOM 0 HA VAL A 82 3.208 -6.406 -12.364 1.00 0.00 H new ATOM 0 HB VAL A 82 4.959 -4.779 -13.220 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.321 -3.463 -14.550 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.818 -5.165 -14.407 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.035 -3.918 -13.406 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.597 -2.376 -12.723 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.323 -2.812 -11.559 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.011 -3.286 -11.251 1.00 0.00 H new ATOM 1260 N ARG A 83 4.795 -5.286 -9.717 1.00 0.00 N ATOM 1261 CA ARG A 83 5.862 -5.583 -8.755 1.00 0.00 C ATOM 1262 C ARG A 83 5.801 -7.046 -8.310 1.00 0.00 C ATOM 1263 O ARG A 83 6.823 -7.644 -7.968 1.00 0.00 O ATOM 1264 CB ARG A 83 5.735 -4.683 -7.522 1.00 0.00 C ATOM 1265 CG ARG A 83 6.173 -3.260 -7.881 1.00 0.00 C ATOM 1266 CD ARG A 83 7.675 -3.110 -7.629 1.00 0.00 C ATOM 1267 NE ARG A 83 8.161 -1.821 -8.125 1.00 0.00 N ATOM 1268 CZ ARG A 83 9.469 -1.535 -8.173 1.00 0.00 C ATOM 1269 NH1 ARG A 83 10.362 -2.405 -7.764 1.00 0.00 N ATOM 1270 NH2 ARG A 83 9.860 -0.372 -8.630 1.00 0.00 N ATOM 0 H ARG A 83 4.149 -4.555 -9.419 1.00 0.00 H new ATOM 0 HA ARG A 83 6.816 -5.397 -9.249 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.705 -4.679 -7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.351 -5.071 -6.711 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.946 -3.051 -8.926 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.619 -2.536 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.879 -3.194 -6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.213 -3.920 -8.121 1.00 0.00 H new ATOM 0 HE ARG A 83 7.487 -1.124 -8.442 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.063 -3.312 -7.404 1.00 0.00 H new ATOM 0 HH12 ARG A 83 11.355 -2.175 -7.806 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.170 0.310 -8.947 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.854 -0.148 -8.669 1.00 0.00 H new ATOM 1284 N CYS A 84 4.588 -7.615 -8.323 1.00 0.00 N ATOM 1285 CA CYS A 84 4.392 -9.012 -7.925 1.00 0.00 C ATOM 1286 C CYS A 84 5.166 -9.959 -8.848 1.00 0.00 C ATOM 1287 O CYS A 84 5.698 -10.975 -8.398 1.00 0.00 O ATOM 1288 CB CYS A 84 2.907 -9.382 -7.967 1.00 0.00 C ATOM 1289 SG CYS A 84 2.074 -8.712 -6.506 1.00 0.00 S ATOM 0 H CYS A 84 3.734 -7.132 -8.603 1.00 0.00 H new ATOM 0 HA CYS A 84 4.766 -9.117 -6.907 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.449 -8.986 -8.873 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.792 -10.465 -7.999 1.00 0.00 H new ATOM 0 HG CYS A 84 1.950 -7.424 -6.630 1.00 0.00 H new