USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 497 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 36 MET CE :methyl -151:sc= -1.74 (180deg=-3.8!) USER MOD Set 1.2: A 72 MET CE :methyl -158:sc= -0.294 (180deg=-0.727) USER MOD Set 2.1: A 24 ASN : amide:sc= -6.2! C(o=-8!,f=-24!) USER MOD Set 2.2: A 26 SER OG : rot -7:sc= -1.77! USER MOD Set 3.1: A 5 THR OG1 : rot 3:sc= 0.779 USER MOD Set 3.2: A 8 GLN : amide:sc= 0 X(o=0.78,f=0.58) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -151:sc=-0.00963 (180deg=-0.587) USER MOD Single : A 23 ASN : amide:sc= 0.144 X(o=0.14,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 69:sc= 0.964 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 52 MET CE :methyl -112:sc= -7.76! (180deg=-14.1!) USER MOD Single : A 53 ASN : amide:sc= -0.0692 X(o=-0.069,f=0) USER MOD Single : A 60 ASN : amide:sc= -2.06! C(o=-2.1!,f=-8.6!) USER MOD Single : A 61 HIS : no HE2:sc= -12.7! C(o=-13!,f=-16!) USER MOD Single : A 62 GLN : amide:sc= 0.117 K(o=0.12,f=-2.5!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.097 -7.217 -14.612 1.00 0.00 N ATOM 59 CA THR A 5 -11.141 -8.279 -14.535 1.00 0.00 C ATOM 60 C THR A 5 -11.024 -9.039 -13.211 1.00 0.00 C ATOM 61 O THR A 5 -10.343 -8.616 -12.299 1.00 0.00 O ATOM 62 CB THR A 5 -10.849 -9.209 -15.714 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.042 -8.526 -16.664 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.165 -9.632 -16.369 1.00 0.00 C ATOM 0 HA THR A 5 -12.150 -7.870 -14.579 1.00 0.00 H new ATOM 0 HB THR A 5 -10.322 -10.094 -15.359 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.822 -7.633 -16.325 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.957 -10.295 -17.209 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.783 -10.155 -15.639 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.694 -8.749 -16.726 1.00 0.00 H new ATOM 72 N GLU A 6 -11.683 -10.160 -13.099 1.00 0.00 N ATOM 73 CA GLU A 6 -11.608 -10.946 -11.835 1.00 0.00 C ATOM 74 C GLU A 6 -10.168 -11.394 -11.573 1.00 0.00 C ATOM 75 O GLU A 6 -9.505 -10.898 -10.684 1.00 0.00 O ATOM 76 CB GLU A 6 -12.512 -12.158 -12.068 1.00 0.00 C ATOM 77 CG GLU A 6 -13.944 -11.815 -11.652 1.00 0.00 C ATOM 78 CD GLU A 6 -14.812 -13.073 -11.723 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.950 -13.613 -12.808 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.324 -13.475 -10.691 1.00 0.00 O ATOM 0 H GLU A 6 -12.270 -10.565 -13.828 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.921 -10.363 -10.969 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.487 -12.447 -13.119 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.150 -13.011 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.953 -11.411 -10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.349 -11.043 -12.307 1.00 0.00 H new ATOM 87 N GLU A 7 -9.678 -12.327 -12.343 1.00 0.00 N ATOM 88 CA GLU A 7 -8.281 -12.806 -12.138 1.00 0.00 C ATOM 89 C GLU A 7 -7.342 -11.617 -11.910 1.00 0.00 C ATOM 90 O GLU A 7 -6.481 -11.648 -11.054 1.00 0.00 O ATOM 91 CB GLU A 7 -7.918 -13.535 -13.432 1.00 0.00 C ATOM 92 CG GLU A 7 -7.974 -15.045 -13.200 1.00 0.00 C ATOM 93 CD GLU A 7 -9.411 -15.539 -13.387 1.00 0.00 C ATOM 94 OE1 GLU A 7 -10.199 -14.801 -13.957 1.00 0.00 O ATOM 95 OE2 GLU A 7 -9.698 -16.644 -12.957 1.00 0.00 O ATOM 0 H GLU A 7 -10.184 -12.778 -13.105 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.191 -13.454 -11.266 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.608 -13.253 -14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.920 -13.243 -13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.309 -15.555 -13.897 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.625 -15.282 -12.195 1.00 0.00 H new ATOM 102 N GLN A 8 -7.502 -10.567 -12.670 1.00 0.00 N ATOM 103 CA GLN A 8 -6.620 -9.379 -12.495 1.00 0.00 C ATOM 104 C GLN A 8 -6.633 -8.922 -11.035 1.00 0.00 C ATOM 105 O GLN A 8 -5.615 -8.896 -10.372 1.00 0.00 O ATOM 106 CB GLN A 8 -7.219 -8.302 -13.401 1.00 0.00 C ATOM 107 CG GLN A 8 -6.093 -7.536 -14.098 1.00 0.00 C ATOM 108 CD GLN A 8 -5.773 -8.205 -15.436 1.00 0.00 C ATOM 109 OE1 GLN A 8 -6.617 -8.286 -16.306 1.00 0.00 O ATOM 110 NE2 GLN A 8 -4.578 -8.692 -15.639 1.00 0.00 N ATOM 0 H GLN A 8 -8.205 -10.481 -13.404 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.582 -9.594 -12.751 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.875 -8.759 -14.142 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.830 -7.617 -12.814 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.389 -6.500 -14.259 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.205 -7.519 -13.466 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -3.869 -8.624 -14.909 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.354 -9.140 -16.528 1.00 0.00 H new ATOM 119 N ILE A 9 -7.780 -8.560 -10.528 1.00 0.00 N ATOM 120 CA ILE A 9 -7.859 -8.104 -9.110 1.00 0.00 C ATOM 121 C ILE A 9 -7.226 -9.147 -8.185 1.00 0.00 C ATOM 122 O ILE A 9 -6.608 -8.817 -7.192 1.00 0.00 O ATOM 123 CB ILE A 9 -9.353 -7.966 -8.820 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.957 -6.914 -9.754 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.554 -7.532 -7.367 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.441 -6.733 -9.428 1.00 0.00 C ATOM 0 H ILE A 9 -8.666 -8.560 -11.034 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.325 -7.168 -8.946 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.845 -8.925 -8.983 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.431 -5.966 -9.640 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.837 -7.223 -10.792 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.620 -7.434 -7.161 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.123 -8.280 -6.701 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.063 -6.573 -7.202 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.871 -5.984 -10.093 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.962 -7.681 -9.564 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.549 -6.405 -8.394 1.00 0.00 H new ATOM 138 N ALA A 10 -7.376 -10.403 -8.503 1.00 0.00 N ATOM 139 CA ALA A 10 -6.782 -11.467 -7.642 1.00 0.00 C ATOM 140 C ALA A 10 -5.267 -11.277 -7.537 1.00 0.00 C ATOM 141 O ALA A 10 -4.727 -11.085 -6.466 1.00 0.00 O ATOM 142 CB ALA A 10 -7.111 -12.781 -8.350 1.00 0.00 C ATOM 0 H ALA A 10 -7.884 -10.740 -9.321 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.176 -11.444 -6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.706 -13.615 -7.776 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.192 -12.889 -8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.669 -12.778 -9.347 1.00 0.00 H new ATOM 148 N GLU A 11 -4.576 -11.327 -8.643 1.00 0.00 N ATOM 149 CA GLU A 11 -3.096 -11.148 -8.606 1.00 0.00 C ATOM 150 C GLU A 11 -2.741 -9.860 -7.858 1.00 0.00 C ATOM 151 O GLU A 11 -1.723 -9.772 -7.202 1.00 0.00 O ATOM 152 CB GLU A 11 -2.671 -11.052 -10.071 1.00 0.00 C ATOM 153 CG GLU A 11 -1.979 -12.351 -10.489 1.00 0.00 C ATOM 154 CD GLU A 11 -0.483 -12.095 -10.680 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.147 -11.134 -11.352 1.00 0.00 O ATOM 156 OE2 GLU A 11 0.301 -12.864 -10.150 1.00 0.00 O ATOM 0 H GLU A 11 -4.971 -11.484 -9.570 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.593 -11.966 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.541 -10.872 -10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.996 -10.207 -10.210 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.133 -13.118 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.415 -12.726 -11.415 1.00 0.00 H new ATOM 163 N PHE A 12 -3.576 -8.862 -7.951 1.00 0.00 N ATOM 164 CA PHE A 12 -3.288 -7.581 -7.244 1.00 0.00 C ATOM 165 C PHE A 12 -3.328 -7.796 -5.729 1.00 0.00 C ATOM 166 O PHE A 12 -2.481 -7.316 -5.001 1.00 0.00 O ATOM 167 CB PHE A 12 -4.400 -6.627 -7.680 1.00 0.00 C ATOM 168 CG PHE A 12 -4.072 -6.055 -9.038 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.767 -6.910 -10.105 1.00 0.00 C ATOM 170 CD2 PHE A 12 -4.072 -4.668 -9.231 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.464 -6.379 -11.364 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.768 -4.137 -10.490 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.464 -4.992 -11.556 1.00 0.00 C ATOM 0 H PHE A 12 -4.445 -8.877 -8.485 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.300 -7.189 -7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.353 -7.155 -7.717 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.510 -5.823 -6.952 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.766 -7.980 -9.956 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.306 -4.008 -8.409 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.230 -7.038 -12.187 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.768 -3.067 -10.639 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.229 -4.582 -12.527 1.00 0.00 H new ATOM 183 N LYS A 13 -4.305 -8.516 -5.250 1.00 0.00 N ATOM 184 CA LYS A 13 -4.397 -8.763 -3.782 1.00 0.00 C ATOM 185 C LYS A 13 -3.147 -9.500 -3.293 1.00 0.00 C ATOM 186 O LYS A 13 -2.439 -9.032 -2.425 1.00 0.00 O ATOM 187 CB LYS A 13 -5.639 -9.636 -3.604 1.00 0.00 C ATOM 188 CG LYS A 13 -6.553 -9.017 -2.545 1.00 0.00 C ATOM 189 CD LYS A 13 -6.973 -10.092 -1.542 1.00 0.00 C ATOM 190 CE LYS A 13 -8.494 -10.063 -1.369 1.00 0.00 C ATOM 191 NZ LYS A 13 -8.925 -11.480 -1.524 1.00 0.00 N ATOM 0 H LYS A 13 -5.043 -8.944 -5.810 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.465 -7.838 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.171 -9.726 -4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.348 -10.643 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.035 -8.207 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.433 -8.582 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.655 -11.074 -1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.484 -9.921 -0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.773 -9.670 -0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.964 -9.423 -2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.958 -11.542 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.652 -11.825 -2.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.467 -12.064 -0.796 1.00 0.00 H new ATOM 205 N GLU A 14 -2.869 -10.647 -3.849 1.00 0.00 N ATOM 206 CA GLU A 14 -1.662 -11.408 -3.417 1.00 0.00 C ATOM 207 C GLU A 14 -0.440 -10.488 -3.405 1.00 0.00 C ATOM 208 O GLU A 14 0.425 -10.598 -2.558 1.00 0.00 O ATOM 209 CB GLU A 14 -1.494 -12.512 -4.461 1.00 0.00 C ATOM 210 CG GLU A 14 -1.949 -13.848 -3.872 1.00 0.00 C ATOM 211 CD GLU A 14 -0.761 -14.811 -3.813 1.00 0.00 C ATOM 212 OE1 GLU A 14 0.203 -14.575 -4.522 1.00 0.00 O ATOM 213 OE2 GLU A 14 -0.836 -15.767 -3.060 1.00 0.00 O ATOM 0 H GLU A 14 -3.424 -11.090 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.765 -11.814 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.078 -12.277 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.451 -12.576 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.358 -13.697 -2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.746 -14.274 -4.482 1.00 0.00 H new ATOM 220 N ALA A 15 -0.364 -9.578 -4.337 1.00 0.00 N ATOM 221 CA ALA A 15 0.800 -8.648 -4.380 1.00 0.00 C ATOM 222 C ALA A 15 0.727 -7.660 -3.212 1.00 0.00 C ATOM 223 O ALA A 15 1.503 -7.725 -2.281 1.00 0.00 O ATOM 224 CB ALA A 15 0.672 -7.913 -5.714 1.00 0.00 C ATOM 0 H ALA A 15 -1.058 -9.438 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 15 1.752 -9.172 -4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.496 -7.207 -5.821 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.703 -8.634 -6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.275 -7.373 -5.743 1.00 0.00 H new ATOM 230 N PHE A 16 -0.204 -6.746 -3.256 1.00 0.00 N ATOM 231 CA PHE A 16 -0.331 -5.754 -2.150 1.00 0.00 C ATOM 232 C PHE A 16 -0.154 -6.443 -0.794 1.00 0.00 C ATOM 233 O PHE A 16 0.592 -5.989 0.051 1.00 0.00 O ATOM 234 CB PHE A 16 -1.747 -5.197 -2.285 1.00 0.00 C ATOM 235 CG PHE A 16 -1.951 -4.087 -1.283 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.650 -2.765 -1.631 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.445 -4.381 -0.006 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.842 -1.736 -0.701 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.636 -3.351 0.924 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.335 -2.030 0.576 1.00 0.00 C ATOM 0 H PHE A 16 -0.883 -6.643 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 16 0.426 -4.972 -2.208 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.906 -4.822 -3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.478 -5.989 -2.120 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.270 -2.539 -2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.679 -5.401 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.610 -0.716 -0.969 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.016 -3.577 1.910 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.483 -1.236 1.293 1.00 0.00 H new ATOM 250 N ALA A 17 -0.836 -7.534 -0.581 1.00 0.00 N ATOM 251 CA ALA A 17 -0.711 -8.250 0.722 1.00 0.00 C ATOM 252 C ALA A 17 0.676 -8.888 0.850 1.00 0.00 C ATOM 253 O ALA A 17 1.179 -9.088 1.937 1.00 0.00 O ATOM 254 CB ALA A 17 -1.796 -9.326 0.687 1.00 0.00 C ATOM 0 H ALA A 17 -1.475 -7.962 -1.252 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.828 -7.579 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.770 -9.899 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.773 -8.854 0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.620 -9.993 -0.157 1.00 0.00 H new ATOM 260 N LEU A 18 1.297 -9.213 -0.251 1.00 0.00 N ATOM 261 CA LEU A 18 2.648 -9.840 -0.185 1.00 0.00 C ATOM 262 C LEU A 18 3.617 -8.935 0.582 1.00 0.00 C ATOM 263 O LEU A 18 4.667 -9.362 1.019 1.00 0.00 O ATOM 264 CB LEU A 18 3.092 -9.989 -1.641 1.00 0.00 C ATOM 265 CG LEU A 18 3.430 -11.453 -1.925 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.273 -11.733 -3.421 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.874 -11.732 -1.503 1.00 0.00 C ATOM 0 H LEU A 18 0.928 -9.072 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 18 2.630 -10.798 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.300 -9.651 -2.310 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.961 -9.360 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 18 2.755 -12.098 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.514 -12.777 -3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.245 -11.533 -3.723 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.948 -11.089 -3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.117 -12.775 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.549 -11.087 -2.066 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.987 -11.533 -0.437 1.00 0.00 H new ATOM 279 N PHE A 19 3.273 -7.686 0.751 1.00 0.00 N ATOM 280 CA PHE A 19 4.176 -6.758 1.491 1.00 0.00 C ATOM 281 C PHE A 19 3.411 -6.069 2.623 1.00 0.00 C ATOM 282 O PHE A 19 3.876 -5.109 3.205 1.00 0.00 O ATOM 283 CB PHE A 19 4.635 -5.734 0.453 1.00 0.00 C ATOM 284 CG PHE A 19 5.036 -6.444 -0.818 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.071 -6.740 -1.787 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.372 -6.806 -1.027 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.441 -7.398 -2.966 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.742 -7.464 -2.206 1.00 0.00 C ATOM 289 CZ PHE A 19 5.776 -7.760 -3.176 1.00 0.00 C ATOM 0 H PHE A 19 2.407 -7.269 0.409 1.00 0.00 H new ATOM 0 HA PHE A 19 5.018 -7.279 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.833 -5.025 0.248 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.476 -5.160 0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.040 -6.461 -1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.117 -6.578 -0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.696 -7.626 -3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.773 -7.743 -2.368 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.062 -8.267 -4.086 1.00 0.00 H new ATOM 299 N ASP A 20 2.240 -6.550 2.940 1.00 0.00 N ATOM 300 CA ASP A 20 1.446 -5.921 4.034 1.00 0.00 C ATOM 301 C ASP A 20 2.008 -6.329 5.398 1.00 0.00 C ATOM 302 O ASP A 20 1.466 -7.181 6.074 1.00 0.00 O ATOM 303 CB ASP A 20 0.027 -6.461 3.855 1.00 0.00 C ATOM 304 CG ASP A 20 0.023 -7.972 4.088 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.098 -8.537 4.207 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.055 -8.540 4.145 1.00 0.00 O ATOM 0 H ASP A 20 1.799 -7.351 2.489 1.00 0.00 H new ATOM 0 HA ASP A 20 1.476 -4.832 3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.650 -5.973 4.555 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.335 -6.236 2.852 1.00 0.00 H new ATOM 311 N LYS A 21 3.090 -5.726 5.809 1.00 0.00 N ATOM 312 CA LYS A 21 3.685 -6.081 7.130 1.00 0.00 C ATOM 313 C LYS A 21 2.661 -5.860 8.247 1.00 0.00 C ATOM 314 O LYS A 21 2.525 -6.665 9.146 1.00 0.00 O ATOM 315 CB LYS A 21 4.873 -5.134 7.298 1.00 0.00 C ATOM 316 CG LYS A 21 5.380 -5.199 8.740 1.00 0.00 C ATOM 317 CD LYS A 21 4.559 -4.248 9.613 1.00 0.00 C ATOM 318 CE LYS A 21 5.500 -3.428 10.498 1.00 0.00 C ATOM 319 NZ LYS A 21 6.219 -4.432 11.329 1.00 0.00 N ATOM 0 H LYS A 21 3.588 -5.004 5.288 1.00 0.00 H new ATOM 0 HA LYS A 21 3.988 -7.127 7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.671 -5.409 6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.576 -4.115 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.300 -6.218 9.119 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.435 -4.926 8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.962 -3.585 8.986 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.863 -4.814 10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.196 -2.842 9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.945 -2.726 11.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.482 -4.004 12.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.600 -5.251 11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.078 -4.744 10.832 1.00 0.00 H new ATOM 333 N ASP A 22 1.940 -4.773 8.196 1.00 0.00 N ATOM 334 CA ASP A 22 0.926 -4.501 9.255 1.00 0.00 C ATOM 335 C ASP A 22 -0.011 -5.702 9.411 1.00 0.00 C ATOM 336 O ASP A 22 -0.656 -5.872 10.427 1.00 0.00 O ATOM 337 CB ASP A 22 0.153 -3.279 8.758 1.00 0.00 C ATOM 338 CG ASP A 22 1.111 -2.096 8.605 1.00 0.00 C ATOM 339 OD1 ASP A 22 2.286 -2.271 8.885 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.654 -1.037 8.210 1.00 0.00 O ATOM 0 H ASP A 22 2.009 -4.062 7.468 1.00 0.00 H new ATOM 0 HA ASP A 22 1.383 -4.326 10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.323 -3.501 7.803 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.642 -3.028 9.460 1.00 0.00 H new ATOM 345 N ASN A 23 -0.091 -6.537 8.412 1.00 0.00 N ATOM 346 CA ASN A 23 -0.986 -7.726 8.502 1.00 0.00 C ATOM 347 C ASN A 23 -2.442 -7.281 8.663 1.00 0.00 C ATOM 348 O ASN A 23 -3.256 -7.979 9.234 1.00 0.00 O ATOM 349 CB ASN A 23 -0.516 -8.482 9.745 1.00 0.00 C ATOM 350 CG ASN A 23 -0.528 -9.985 9.464 1.00 0.00 C ATOM 351 OD1 ASN A 23 0.455 -10.665 9.685 1.00 0.00 O ATOM 352 ND2 ASN A 23 -1.607 -10.538 8.982 1.00 0.00 N ATOM 0 H ASN A 23 0.425 -6.448 7.537 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.941 -8.346 7.606 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.489 -8.161 10.020 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.166 -8.254 10.590 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.625 -11.540 8.791 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.433 -9.968 8.796 1.00 0.00 H new ATOM 359 N ASN A 24 -2.776 -6.122 8.165 1.00 0.00 N ATOM 360 CA ASN A 24 -4.180 -5.633 8.290 1.00 0.00 C ATOM 361 C ASN A 24 -4.756 -5.321 6.906 1.00 0.00 C ATOM 362 O ASN A 24 -5.942 -5.105 6.751 1.00 0.00 O ATOM 363 CB ASN A 24 -4.083 -4.360 9.131 1.00 0.00 C ATOM 364 CG ASN A 24 -2.981 -3.459 8.570 1.00 0.00 C ATOM 365 OD1 ASN A 24 -2.375 -3.775 7.566 1.00 0.00 O ATOM 366 ND2 ASN A 24 -2.696 -2.341 9.180 1.00 0.00 N ATOM 0 H ASN A 24 -2.139 -5.492 7.677 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.836 -6.373 8.747 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.037 -3.833 9.123 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.867 -4.613 10.169 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -1.964 -1.732 8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.205 -2.076 10.023 1.00 0.00 H new ATOM 373 N GLY A 25 -3.926 -5.294 5.900 1.00 0.00 N ATOM 374 CA GLY A 25 -4.427 -4.996 4.528 1.00 0.00 C ATOM 375 C GLY A 25 -3.931 -3.617 4.090 1.00 0.00 C ATOM 376 O GLY A 25 -4.524 -2.972 3.248 1.00 0.00 O ATOM 0 H GLY A 25 -2.923 -5.465 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.080 -5.757 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.517 -5.023 4.514 1.00 0.00 H new ATOM 380 N SER A 26 -2.848 -3.159 4.656 1.00 0.00 N ATOM 381 CA SER A 26 -2.315 -1.821 4.271 1.00 0.00 C ATOM 382 C SER A 26 -0.794 -1.884 4.108 1.00 0.00 C ATOM 383 O SER A 26 -0.107 -2.550 4.857 1.00 0.00 O ATOM 384 CB SER A 26 -2.692 -0.898 5.427 1.00 0.00 C ATOM 385 OG SER A 26 -2.413 -1.550 6.659 1.00 0.00 O ATOM 0 H SER A 26 -2.309 -3.653 5.368 1.00 0.00 H new ATOM 0 HA SER A 26 -2.721 -1.472 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.131 0.034 5.361 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.749 -0.639 5.371 1.00 0.00 H new ATOM 0 HG SER A 26 -2.144 -2.476 6.485 1.00 0.00 H new ATOM 391 N ILE A 27 -0.264 -1.198 3.134 1.00 0.00 N ATOM 392 CA ILE A 27 1.213 -1.219 2.924 1.00 0.00 C ATOM 393 C ILE A 27 1.753 0.209 2.813 1.00 0.00 C ATOM 394 O ILE A 27 1.041 1.126 2.454 1.00 0.00 O ATOM 395 CB ILE A 27 1.415 -1.973 1.608 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.995 -1.077 0.438 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.561 -3.241 1.609 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.253 -1.805 -0.882 1.00 0.00 C ATOM 0 H ILE A 27 -0.788 -0.624 2.474 1.00 0.00 H new ATOM 0 HA ILE A 27 1.741 -1.694 3.751 1.00 0.00 H new ATOM 0 HB ILE A 27 2.466 -2.243 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.061 -0.821 0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.553 -0.141 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.705 -3.778 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.858 -3.879 2.442 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.490 -2.972 1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.954 -1.167 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.314 -2.039 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.675 -2.729 -0.907 1.00 0.00 H new ATOM 410 N SER A 28 3.008 0.405 3.113 1.00 0.00 N ATOM 411 CA SER A 28 3.590 1.773 3.019 1.00 0.00 C ATOM 412 C SER A 28 3.857 2.128 1.553 1.00 0.00 C ATOM 413 O SER A 28 4.076 1.264 0.727 1.00 0.00 O ATOM 414 CB SER A 28 4.900 1.701 3.800 1.00 0.00 C ATOM 415 OG SER A 28 5.002 2.835 4.652 1.00 0.00 O ATOM 0 H SER A 28 3.654 -0.322 3.419 1.00 0.00 H new ATOM 0 HA SER A 28 2.922 2.537 3.417 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.936 0.785 4.389 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.745 1.671 3.113 1.00 0.00 H new ATOM 0 HG SER A 28 5.841 2.791 5.156 1.00 0.00 H new ATOM 421 N SER A 29 3.838 3.390 1.223 1.00 0.00 N ATOM 422 CA SER A 29 4.091 3.791 -0.191 1.00 0.00 C ATOM 423 C SER A 29 5.291 3.026 -0.751 1.00 0.00 C ATOM 424 O SER A 29 5.238 2.473 -1.832 1.00 0.00 O ATOM 425 CB SER A 29 4.388 5.289 -0.130 1.00 0.00 C ATOM 426 OG SER A 29 5.462 5.589 -1.012 1.00 0.00 O ATOM 0 H SER A 29 3.659 4.159 1.868 1.00 0.00 H new ATOM 0 HA SER A 29 3.245 3.570 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.502 5.859 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.646 5.580 0.888 1.00 0.00 H new ATOM 0 HG SER A 29 5.163 5.483 -1.939 1.00 0.00 H new ATOM 432 N SER A 30 6.375 2.988 -0.025 1.00 0.00 N ATOM 433 CA SER A 30 7.577 2.255 -0.519 1.00 0.00 C ATOM 434 C SER A 30 7.196 0.826 -0.916 1.00 0.00 C ATOM 435 O SER A 30 7.774 0.246 -1.813 1.00 0.00 O ATOM 436 CB SER A 30 8.546 2.244 0.662 1.00 0.00 C ATOM 437 OG SER A 30 9.878 2.344 0.177 1.00 0.00 O ATOM 0 H SER A 30 6.481 3.432 0.887 1.00 0.00 H new ATOM 0 HA SER A 30 8.015 2.723 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.328 3.074 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.424 1.327 1.239 1.00 0.00 H new ATOM 0 HG SER A 30 10.502 2.339 0.932 1.00 0.00 H new ATOM 443 N GLU A 31 6.227 0.254 -0.254 1.00 0.00 N ATOM 444 CA GLU A 31 5.810 -1.135 -0.593 1.00 0.00 C ATOM 445 C GLU A 31 4.966 -1.136 -1.872 1.00 0.00 C ATOM 446 O GLU A 31 5.056 -2.034 -2.685 1.00 0.00 O ATOM 447 CB GLU A 31 4.975 -1.602 0.600 1.00 0.00 C ATOM 448 CG GLU A 31 5.695 -1.238 1.900 1.00 0.00 C ATOM 449 CD GLU A 31 5.559 -2.389 2.898 1.00 0.00 C ATOM 450 OE1 GLU A 31 5.497 -3.525 2.459 1.00 0.00 O ATOM 451 OE2 GLU A 31 5.518 -2.114 4.087 1.00 0.00 O ATOM 0 H GLU A 31 5.706 0.690 0.507 1.00 0.00 H new ATOM 0 HA GLU A 31 6.663 -1.789 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.991 -1.135 0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.818 -2.679 0.548 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.748 -1.037 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.271 -0.326 2.320 1.00 0.00 H new ATOM 458 N LEU A 32 4.147 -0.136 -2.057 1.00 0.00 N ATOM 459 CA LEU A 32 3.303 -0.083 -3.283 1.00 0.00 C ATOM 460 C LEU A 32 4.184 -0.173 -4.532 1.00 0.00 C ATOM 461 O LEU A 32 3.858 -0.850 -5.486 1.00 0.00 O ATOM 462 CB LEU A 32 2.591 1.269 -3.223 1.00 0.00 C ATOM 463 CG LEU A 32 1.789 1.481 -4.507 1.00 0.00 C ATOM 464 CD1 LEU A 32 0.720 0.393 -4.626 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.114 2.854 -4.464 1.00 0.00 C ATOM 0 H LEU A 32 4.027 0.645 -1.412 1.00 0.00 H new ATOM 0 HA LEU A 32 2.595 -0.910 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.929 1.305 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.320 2.070 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 32 2.458 1.430 -5.366 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.148 0.544 -5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.199 -0.586 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.051 0.445 -3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.542 3.007 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.445 2.904 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.874 3.631 -4.378 1.00 0.00 H new ATOM 477 N ALA A 33 5.302 0.500 -4.532 1.00 0.00 N ATOM 478 CA ALA A 33 6.202 0.442 -5.718 1.00 0.00 C ATOM 479 C ALA A 33 6.511 -1.016 -6.060 1.00 0.00 C ATOM 480 O ALA A 33 6.523 -1.406 -7.211 1.00 0.00 O ATOM 481 CB ALA A 33 7.472 1.178 -5.292 1.00 0.00 C ATOM 0 H ALA A 33 5.630 1.086 -3.764 1.00 0.00 H new ATOM 0 HA ALA A 33 5.755 0.893 -6.604 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.186 1.178 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.225 2.206 -5.026 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.912 0.676 -4.430 1.00 0.00 H new ATOM 487 N THR A 34 6.755 -1.827 -5.067 1.00 0.00 N ATOM 488 CA THR A 34 7.055 -3.261 -5.336 1.00 0.00 C ATOM 489 C THR A 34 5.822 -3.945 -5.930 1.00 0.00 C ATOM 490 O THR A 34 5.819 -4.358 -7.073 1.00 0.00 O ATOM 491 CB THR A 34 7.397 -3.862 -3.973 1.00 0.00 C ATOM 492 OG1 THR A 34 8.617 -3.306 -3.504 1.00 0.00 O ATOM 493 CG2 THR A 34 7.541 -5.378 -4.109 1.00 0.00 C ATOM 0 H THR A 34 6.760 -1.559 -4.083 1.00 0.00 H new ATOM 0 HA THR A 34 7.870 -3.388 -6.048 1.00 0.00 H new ATOM 0 HB THR A 34 6.601 -3.636 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.836 -3.689 -2.629 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.785 -5.809 -3.138 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.603 -5.802 -4.469 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.337 -5.606 -4.817 1.00 0.00 H new ATOM 501 N VAL A 35 4.769 -4.061 -5.165 1.00 0.00 N ATOM 502 CA VAL A 35 3.536 -4.710 -5.695 1.00 0.00 C ATOM 503 C VAL A 35 3.251 -4.192 -7.108 1.00 0.00 C ATOM 504 O VAL A 35 2.751 -4.903 -7.957 1.00 0.00 O ATOM 505 CB VAL A 35 2.420 -4.292 -4.736 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.708 -4.846 -3.342 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.349 -2.764 -4.671 1.00 0.00 C ATOM 0 H VAL A 35 4.710 -3.736 -4.200 1.00 0.00 H new ATOM 0 HA VAL A 35 3.628 -5.794 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 35 1.469 -4.687 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.912 -4.547 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.759 -5.934 -3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.659 -4.453 -2.984 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.554 -2.465 -3.988 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.301 -2.370 -4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.142 -2.367 -5.665 1.00 0.00 H new ATOM 517 N MET A 36 3.570 -2.950 -7.357 1.00 0.00 N ATOM 518 CA MET A 36 3.325 -2.365 -8.705 1.00 0.00 C ATOM 519 C MET A 36 4.078 -3.158 -9.778 1.00 0.00 C ATOM 520 O MET A 36 3.486 -3.719 -10.678 1.00 0.00 O ATOM 521 CB MET A 36 3.863 -0.936 -8.612 1.00 0.00 C ATOM 522 CG MET A 36 3.191 -0.063 -9.674 1.00 0.00 C ATOM 523 SD MET A 36 1.403 -0.040 -9.396 1.00 0.00 S ATOM 524 CE MET A 36 1.376 1.323 -8.206 1.00 0.00 C ATOM 0 H MET A 36 3.992 -2.313 -6.681 1.00 0.00 H new ATOM 0 HA MET A 36 2.271 -2.390 -8.982 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.673 -0.529 -7.619 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.943 -0.934 -8.756 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.589 0.951 -9.631 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.410 -0.450 -10.669 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.531 1.198 -7.529 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.303 1.324 -7.633 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.277 2.269 -8.738 1.00 0.00 H new ATOM 534 N ARG A 37 5.381 -3.208 -9.691 1.00 0.00 N ATOM 535 CA ARG A 37 6.165 -3.965 -10.712 1.00 0.00 C ATOM 536 C ARG A 37 5.954 -5.473 -10.540 1.00 0.00 C ATOM 537 O ARG A 37 6.205 -6.250 -11.439 1.00 0.00 O ATOM 538 CB ARG A 37 7.625 -3.595 -10.441 1.00 0.00 C ATOM 539 CG ARG A 37 8.015 -2.391 -11.298 1.00 0.00 C ATOM 540 CD ARG A 37 9.371 -1.852 -10.835 1.00 0.00 C ATOM 541 NE ARG A 37 9.090 -0.474 -10.344 1.00 0.00 N ATOM 542 CZ ARG A 37 9.952 0.133 -9.577 1.00 0.00 C ATOM 543 NH1 ARG A 37 9.943 -0.078 -8.290 1.00 0.00 N ATOM 544 NH2 ARG A 37 10.824 0.955 -10.097 1.00 0.00 N ATOM 0 H ARG A 37 5.935 -2.760 -8.961 1.00 0.00 H new ATOM 0 HA ARG A 37 5.860 -3.719 -11.729 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.762 -3.362 -9.385 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.274 -4.441 -10.668 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.066 -2.680 -12.348 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.256 -1.613 -11.218 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.794 -2.474 -10.046 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.091 -1.840 -11.653 1.00 0.00 H new ATOM 0 HE ARG A 37 8.223 -0.005 -10.608 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.261 -0.718 -7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.618 0.397 -7.691 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.831 1.122 -11.103 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.498 1.430 -9.497 1.00 0.00 H new ATOM 558 N SER A 38 5.497 -5.891 -9.391 1.00 0.00 N ATOM 559 CA SER A 38 5.275 -7.348 -9.161 1.00 0.00 C ATOM 560 C SER A 38 4.117 -7.855 -10.023 1.00 0.00 C ATOM 561 O SER A 38 4.110 -8.986 -10.465 1.00 0.00 O ATOM 562 CB SER A 38 4.931 -7.466 -7.677 1.00 0.00 C ATOM 563 OG SER A 38 5.808 -8.402 -7.065 1.00 0.00 O ATOM 0 H SER A 38 5.268 -5.287 -8.602 1.00 0.00 H new ATOM 0 HA SER A 38 6.148 -7.944 -9.427 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.022 -6.494 -7.192 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.896 -7.787 -7.556 1.00 0.00 H new ATOM 0 HG SER A 38 5.591 -8.479 -6.112 1.00 0.00 H new ATOM 569 N LEU A 39 3.135 -7.031 -10.264 1.00 0.00 N ATOM 570 CA LEU A 39 1.981 -7.477 -11.096 1.00 0.00 C ATOM 571 C LEU A 39 2.450 -7.802 -12.517 1.00 0.00 C ATOM 572 O LEU A 39 1.873 -8.626 -13.198 1.00 0.00 O ATOM 573 CB LEU A 39 1.008 -6.295 -11.109 1.00 0.00 C ATOM 574 CG LEU A 39 0.160 -6.310 -9.835 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.936 -5.247 -9.939 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.489 -7.686 -9.665 1.00 0.00 C ATOM 0 H LEU A 39 3.081 -6.071 -9.922 1.00 0.00 H new ATOM 0 HA LEU A 39 1.514 -8.378 -10.699 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.560 -5.358 -11.179 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.364 -6.351 -11.987 1.00 0.00 H new ATOM 0 HG LEU A 39 0.797 -6.099 -8.976 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.540 -5.257 -9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.480 -4.265 -10.060 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.570 -5.461 -10.800 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.092 -7.694 -8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.125 -7.897 -10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.287 -8.448 -9.592 1.00 0.00 H new ATOM 588 N GLY A 40 3.494 -7.163 -12.972 1.00 0.00 N ATOM 589 CA GLY A 40 3.995 -7.442 -14.347 1.00 0.00 C ATOM 590 C GLY A 40 4.217 -6.125 -15.093 1.00 0.00 C ATOM 591 O GLY A 40 4.013 -6.035 -16.287 1.00 0.00 O ATOM 0 H GLY A 40 4.020 -6.461 -12.451 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.927 -8.004 -14.297 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.278 -8.060 -14.887 1.00 0.00 H new ATOM 595 N LEU A 41 4.635 -5.101 -14.400 1.00 0.00 N ATOM 596 CA LEU A 41 4.870 -3.791 -15.074 1.00 0.00 C ATOM 597 C LEU A 41 6.190 -3.181 -14.596 1.00 0.00 C ATOM 598 O LEU A 41 6.835 -3.693 -13.703 1.00 0.00 O ATOM 599 CB LEU A 41 3.689 -2.909 -14.663 1.00 0.00 C ATOM 600 CG LEU A 41 3.396 -3.097 -13.173 1.00 0.00 C ATOM 601 CD1 LEU A 41 2.988 -1.757 -12.561 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.256 -4.102 -13.003 1.00 0.00 C ATOM 0 H LEU A 41 4.824 -5.114 -13.398 1.00 0.00 H new ATOM 0 HA LEU A 41 4.940 -3.893 -16.157 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.915 -1.863 -14.869 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.809 -3.167 -15.252 1.00 0.00 H new ATOM 0 HG LEU A 41 4.289 -3.469 -12.670 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.779 -1.890 -11.500 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.799 -1.039 -12.684 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.095 -1.385 -13.063 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.046 -4.237 -11.942 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.364 -3.728 -13.505 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.545 -5.058 -13.440 1.00 0.00 H new ATOM 614 N SER A 42 6.597 -2.089 -15.183 1.00 0.00 N ATOM 615 CA SER A 42 7.875 -1.447 -14.763 1.00 0.00 C ATOM 616 C SER A 42 7.985 -0.042 -15.360 1.00 0.00 C ATOM 617 O SER A 42 8.545 0.141 -16.423 1.00 0.00 O ATOM 618 CB SER A 42 8.974 -2.353 -15.318 1.00 0.00 C ATOM 619 OG SER A 42 8.564 -2.869 -16.578 1.00 0.00 O ATOM 0 H SER A 42 6.100 -1.613 -15.936 1.00 0.00 H new ATOM 0 HA SER A 42 7.945 -1.337 -13.681 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.903 -1.793 -15.426 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.173 -3.170 -14.624 1.00 0.00 H new ATOM 0 HG SER A 42 9.267 -3.449 -16.938 1.00 0.00 H new ATOM 625 N PRO A 43 7.444 0.907 -14.647 1.00 0.00 N ATOM 626 CA PRO A 43 7.476 2.319 -15.104 1.00 0.00 C ATOM 627 C PRO A 43 8.895 2.885 -14.984 1.00 0.00 C ATOM 628 O PRO A 43 9.863 2.152 -14.932 1.00 0.00 O ATOM 629 CB PRO A 43 6.523 3.026 -14.144 1.00 0.00 C ATOM 630 CG PRO A 43 6.511 2.175 -12.915 1.00 0.00 C ATOM 631 CD PRO A 43 6.755 0.757 -13.361 1.00 0.00 C ATOM 0 HA PRO A 43 7.188 2.441 -16.148 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.865 4.037 -13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.525 3.115 -14.573 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.282 2.497 -12.215 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.555 2.258 -12.397 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.365 0.211 -12.642 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.821 0.206 -13.470 1.00 0.00 H new ATOM 639 N SER A 44 9.026 4.183 -14.943 1.00 0.00 N ATOM 640 CA SER A 44 10.383 4.790 -14.828 1.00 0.00 C ATOM 641 C SER A 44 10.473 5.654 -13.567 1.00 0.00 C ATOM 642 O SER A 44 9.472 6.042 -12.997 1.00 0.00 O ATOM 643 CB SER A 44 10.537 5.653 -16.080 1.00 0.00 C ATOM 644 OG SER A 44 9.751 5.101 -17.129 1.00 0.00 O ATOM 0 H SER A 44 8.254 4.848 -14.984 1.00 0.00 H new ATOM 0 HA SER A 44 11.167 4.036 -14.752 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.221 6.675 -15.872 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.584 5.697 -16.379 1.00 0.00 H new ATOM 0 HG SER A 44 9.846 5.653 -17.934 1.00 0.00 H new ATOM 650 N GLU A 45 11.663 5.958 -13.128 1.00 0.00 N ATOM 651 CA GLU A 45 11.814 6.797 -11.904 1.00 0.00 C ATOM 652 C GLU A 45 10.821 7.961 -11.938 1.00 0.00 C ATOM 653 O GLU A 45 9.915 8.039 -11.132 1.00 0.00 O ATOM 654 CB GLU A 45 13.252 7.316 -11.954 1.00 0.00 C ATOM 655 CG GLU A 45 14.014 6.829 -10.720 1.00 0.00 C ATOM 656 CD GLU A 45 15.518 6.958 -10.964 1.00 0.00 C ATOM 657 OE1 GLU A 45 15.909 7.881 -11.659 1.00 0.00 O ATOM 658 OE2 GLU A 45 16.255 6.130 -10.452 1.00 0.00 O ATOM 0 H GLU A 45 12.537 5.663 -13.563 1.00 0.00 H new ATOM 0 HA GLU A 45 11.616 6.236 -10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.745 6.965 -12.861 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.256 8.405 -11.990 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.725 7.414 -9.847 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.757 5.791 -10.507 1.00 0.00 H new ATOM 665 N ALA A 46 10.982 8.866 -12.864 1.00 0.00 N ATOM 666 CA ALA A 46 10.045 10.021 -12.948 1.00 0.00 C ATOM 667 C ALA A 46 8.603 9.542 -12.759 1.00 0.00 C ATOM 668 O ALA A 46 7.846 10.106 -11.997 1.00 0.00 O ATOM 669 CB ALA A 46 10.242 10.592 -14.353 1.00 0.00 C ATOM 0 H ALA A 46 11.722 8.855 -13.566 1.00 0.00 H new ATOM 0 HA ALA A 46 10.237 10.767 -12.177 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.584 11.450 -14.493 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.278 10.906 -14.476 1.00 0.00 H new ATOM 0 HB3 ALA A 46 10.004 9.828 -15.093 1.00 0.00 H new ATOM 675 N GLU A 47 8.221 8.501 -13.448 1.00 0.00 N ATOM 676 CA GLU A 47 6.830 7.983 -13.306 1.00 0.00 C ATOM 677 C GLU A 47 6.569 7.577 -11.853 1.00 0.00 C ATOM 678 O GLU A 47 5.482 7.744 -11.337 1.00 0.00 O ATOM 679 CB GLU A 47 6.765 6.763 -14.225 1.00 0.00 C ATOM 680 CG GLU A 47 5.363 6.652 -14.828 1.00 0.00 C ATOM 681 CD GLU A 47 4.428 5.973 -13.827 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.062 6.616 -12.858 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.094 4.820 -14.046 1.00 0.00 O ATOM 0 H GLU A 47 8.811 7.987 -14.102 1.00 0.00 H new ATOM 0 HA GLU A 47 6.080 8.729 -13.569 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.507 6.852 -15.018 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.004 5.859 -13.665 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.985 7.643 -15.080 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.399 6.079 -15.755 1.00 0.00 H new ATOM 690 N VAL A 48 7.559 7.045 -11.190 1.00 0.00 N ATOM 691 CA VAL A 48 7.370 6.630 -9.770 1.00 0.00 C ATOM 692 C VAL A 48 7.207 7.864 -8.878 1.00 0.00 C ATOM 693 O VAL A 48 6.360 7.906 -8.009 1.00 0.00 O ATOM 694 CB VAL A 48 8.645 5.869 -9.405 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.417 5.081 -8.114 1.00 0.00 C ATOM 696 CG2 VAL A 48 9.005 4.902 -10.535 1.00 0.00 C ATOM 0 H VAL A 48 8.491 6.879 -11.570 1.00 0.00 H new ATOM 0 HA VAL A 48 6.478 6.018 -9.633 1.00 0.00 H new ATOM 0 HB VAL A 48 9.461 6.577 -9.260 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.326 4.538 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.162 5.769 -7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.601 4.373 -8.259 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.914 4.360 -10.274 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.189 4.194 -10.681 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.168 5.463 -11.455 1.00 0.00 H new ATOM 706 N ASN A 49 8.013 8.868 -9.088 1.00 0.00 N ATOM 707 CA ASN A 49 7.905 10.099 -8.254 1.00 0.00 C ATOM 708 C ASN A 49 6.470 10.632 -8.282 1.00 0.00 C ATOM 709 O ASN A 49 5.880 10.909 -7.256 1.00 0.00 O ATOM 710 CB ASN A 49 8.863 11.100 -8.900 1.00 0.00 C ATOM 711 CG ASN A 49 9.283 12.147 -7.865 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.448 12.814 -7.286 1.00 0.00 O ATOM 713 ND2 ASN A 49 10.550 12.320 -7.607 1.00 0.00 N ATOM 0 H ASN A 49 8.742 8.890 -9.801 1.00 0.00 H new ATOM 0 HA ASN A 49 8.154 9.914 -7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.741 10.582 -9.286 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.381 11.585 -9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.840 13.015 -6.919 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.251 11.760 -8.093 1.00 0.00 H new ATOM 720 N ASP A 50 5.905 10.778 -9.449 1.00 0.00 N ATOM 721 CA ASP A 50 4.508 11.293 -9.542 1.00 0.00 C ATOM 722 C ASP A 50 3.515 10.205 -9.125 1.00 0.00 C ATOM 723 O ASP A 50 2.452 10.486 -8.608 1.00 0.00 O ATOM 724 CB ASP A 50 4.318 11.660 -11.013 1.00 0.00 C ATOM 725 CG ASP A 50 4.453 13.174 -11.184 1.00 0.00 C ATOM 726 OD1 ASP A 50 4.039 13.891 -10.288 1.00 0.00 O ATOM 727 OD2 ASP A 50 4.968 13.591 -12.209 1.00 0.00 O ATOM 0 H ASP A 50 6.349 10.563 -10.342 1.00 0.00 H new ATOM 0 HA ASP A 50 4.337 12.146 -8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.060 11.147 -11.625 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.338 11.331 -11.357 1.00 0.00 H new ATOM 732 N LEU A 51 3.852 8.964 -9.347 1.00 0.00 N ATOM 733 CA LEU A 51 2.927 7.860 -8.964 1.00 0.00 C ATOM 734 C LEU A 51 2.680 7.877 -7.454 1.00 0.00 C ATOM 735 O LEU A 51 1.554 7.833 -6.998 1.00 0.00 O ATOM 736 CB LEU A 51 3.651 6.577 -9.375 1.00 0.00 C ATOM 737 CG LEU A 51 2.842 5.364 -8.911 1.00 0.00 C ATOM 738 CD1 LEU A 51 1.609 5.202 -9.802 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.709 4.107 -9.008 1.00 0.00 C ATOM 0 H LEU A 51 4.728 8.667 -9.777 1.00 0.00 H new ATOM 0 HA LEU A 51 1.953 7.951 -9.445 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.779 6.550 -10.457 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.648 6.552 -8.935 1.00 0.00 H new ATOM 0 HG LEU A 51 2.527 5.511 -7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.032 4.338 -9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.991 6.098 -9.735 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.924 5.055 -10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.134 3.242 -8.678 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.023 3.961 -10.041 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.588 4.222 -8.374 1.00 0.00 H new ATOM 751 N MET A 52 3.724 7.942 -6.673 1.00 0.00 N ATOM 752 CA MET A 52 3.547 7.963 -5.193 1.00 0.00 C ATOM 753 C MET A 52 3.007 9.323 -4.743 1.00 0.00 C ATOM 754 O MET A 52 2.077 9.406 -3.965 1.00 0.00 O ATOM 755 CB MET A 52 4.947 7.729 -4.624 1.00 0.00 C ATOM 756 CG MET A 52 5.361 6.275 -4.868 1.00 0.00 C ATOM 757 SD MET A 52 4.220 5.169 -4.002 1.00 0.00 S ATOM 758 CE MET A 52 3.306 4.602 -5.456 1.00 0.00 C ATOM 0 H MET A 52 4.691 7.981 -6.995 1.00 0.00 H new ATOM 0 HA MET A 52 2.836 7.210 -4.852 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.660 8.405 -5.095 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.958 7.947 -3.556 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.354 6.058 -5.936 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.380 6.112 -4.516 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.286 4.985 -5.417 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.796 4.966 -6.359 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.284 3.512 -5.470 1.00 0.00 H new ATOM 768 N ASN A 53 3.581 10.390 -5.228 1.00 0.00 N ATOM 769 CA ASN A 53 3.098 11.743 -4.829 1.00 0.00 C ATOM 770 C ASN A 53 1.590 11.856 -5.060 1.00 0.00 C ATOM 771 O ASN A 53 0.911 12.640 -4.426 1.00 0.00 O ATOM 772 CB ASN A 53 3.854 12.716 -5.734 1.00 0.00 C ATOM 773 CG ASN A 53 5.099 13.228 -5.008 1.00 0.00 C ATOM 774 OD1 ASN A 53 5.333 14.419 -4.944 1.00 0.00 O ATOM 775 ND2 ASN A 53 5.913 12.373 -4.452 1.00 0.00 N ATOM 0 H ASN A 53 4.363 10.384 -5.883 1.00 0.00 H new ATOM 0 HA ASN A 53 3.273 11.949 -3.773 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.140 12.219 -6.661 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.209 13.552 -6.006 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.745 12.704 -3.964 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.717 11.373 -4.505 1.00 0.00 H new ATOM 782 N GLU A 54 1.058 11.078 -5.963 1.00 0.00 N ATOM 783 CA GLU A 54 -0.407 11.142 -6.232 1.00 0.00 C ATOM 784 C GLU A 54 -1.189 10.603 -5.031 1.00 0.00 C ATOM 785 O GLU A 54 -2.347 10.918 -4.840 1.00 0.00 O ATOM 786 CB GLU A 54 -0.624 10.251 -7.456 1.00 0.00 C ATOM 787 CG GLU A 54 -1.810 10.776 -8.267 1.00 0.00 C ATOM 788 CD GLU A 54 -3.114 10.438 -7.542 1.00 0.00 C ATOM 789 OE1 GLU A 54 -3.482 9.274 -7.540 1.00 0.00 O ATOM 790 OE2 GLU A 54 -3.721 11.347 -7.000 1.00 0.00 O ATOM 0 H GLU A 54 1.574 10.401 -6.526 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.751 12.162 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.274 10.238 -8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.811 9.224 -7.143 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.724 11.854 -8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.809 10.331 -9.262 1.00 0.00 H new ATOM 797 N ILE A 55 -0.564 9.794 -4.220 1.00 0.00 N ATOM 798 CA ILE A 55 -1.271 9.235 -3.032 1.00 0.00 C ATOM 799 C ILE A 55 -0.497 9.568 -1.753 1.00 0.00 C ATOM 800 O ILE A 55 -1.072 9.737 -0.696 1.00 0.00 O ATOM 801 CB ILE A 55 -1.302 7.725 -3.262 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.750 7.023 -1.978 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.096 7.238 -3.646 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.513 5.517 -2.109 1.00 0.00 C ATOM 0 H ILE A 55 0.405 9.496 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.273 9.649 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.001 7.495 -4.066 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.197 7.416 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.806 7.221 -1.792 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.074 6.161 -3.810 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.417 7.738 -4.560 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.795 7.468 -2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.832 5.018 -1.194 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.086 5.131 -2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.452 5.329 -2.274 1.00 0.00 H new ATOM 816 N ASP A 56 0.800 9.664 -1.843 1.00 0.00 N ATOM 817 CA ASP A 56 1.609 9.986 -0.631 1.00 0.00 C ATOM 818 C ASP A 56 1.060 11.241 0.053 1.00 0.00 C ATOM 819 O ASP A 56 0.874 12.268 -0.568 1.00 0.00 O ATOM 820 CB ASP A 56 3.024 10.237 -1.156 1.00 0.00 C ATOM 821 CG ASP A 56 3.915 9.042 -0.814 1.00 0.00 C ATOM 822 OD1 ASP A 56 3.375 8.009 -0.454 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.123 9.179 -0.919 1.00 0.00 O ATOM 0 H ASP A 56 1.336 9.534 -2.701 1.00 0.00 H new ATOM 0 HA ASP A 56 1.584 9.185 0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.001 10.390 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.431 11.146 -0.714 1.00 0.00 H new ATOM 828 N VAL A 57 0.799 11.165 1.329 1.00 0.00 N ATOM 829 CA VAL A 57 0.263 12.354 2.053 1.00 0.00 C ATOM 830 C VAL A 57 1.281 12.852 3.080 1.00 0.00 C ATOM 831 O VAL A 57 1.349 14.028 3.382 1.00 0.00 O ATOM 832 CB VAL A 57 -1.003 11.854 2.750 1.00 0.00 C ATOM 833 CG1 VAL A 57 -1.827 13.050 3.230 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.833 11.025 1.768 1.00 0.00 C ATOM 0 H VAL A 57 0.933 10.332 1.902 1.00 0.00 H new ATOM 0 HA VAL A 57 0.057 13.188 1.382 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.727 11.236 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.730 12.694 3.727 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.237 13.641 3.930 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.103 13.668 2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.735 10.669 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.109 11.642 0.913 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.247 10.172 1.425 1.00 0.00 H new ATOM 844 N ASP A 58 2.076 11.968 3.619 1.00 0.00 N ATOM 845 CA ASP A 58 3.089 12.393 4.627 1.00 0.00 C ATOM 846 C ASP A 58 4.396 11.621 4.421 1.00 0.00 C ATOM 847 O ASP A 58 5.262 11.611 5.272 1.00 0.00 O ATOM 848 CB ASP A 58 2.470 12.046 5.982 1.00 0.00 C ATOM 849 CG ASP A 58 2.431 13.298 6.861 1.00 0.00 C ATOM 850 OD1 ASP A 58 2.232 14.372 6.320 1.00 0.00 O ATOM 851 OD2 ASP A 58 2.602 13.160 8.061 1.00 0.00 O ATOM 0 H ASP A 58 2.068 10.971 3.405 1.00 0.00 H new ATOM 0 HA ASP A 58 3.330 13.453 4.548 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.462 11.654 5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.052 11.264 6.470 1.00 0.00 H new ATOM 856 N GLY A 59 4.542 10.975 3.296 1.00 0.00 N ATOM 857 CA GLY A 59 5.792 10.207 3.036 1.00 0.00 C ATOM 858 C GLY A 59 5.595 8.750 3.461 1.00 0.00 C ATOM 859 O GLY A 59 5.574 7.853 2.644 1.00 0.00 O ATOM 0 H GLY A 59 3.850 10.946 2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.048 10.257 1.978 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.623 10.648 3.586 1.00 0.00 H new ATOM 863 N ASN A 60 5.451 8.509 4.736 1.00 0.00 N ATOM 864 CA ASN A 60 5.256 7.110 5.212 1.00 0.00 C ATOM 865 C ASN A 60 3.792 6.884 5.603 1.00 0.00 C ATOM 866 O ASN A 60 3.477 6.644 6.752 1.00 0.00 O ATOM 867 CB ASN A 60 6.164 6.978 6.435 1.00 0.00 C ATOM 868 CG ASN A 60 5.749 8.001 7.493 1.00 0.00 C ATOM 869 OD1 ASN A 60 4.731 8.651 7.360 1.00 0.00 O ATOM 870 ND2 ASN A 60 6.501 8.176 8.545 1.00 0.00 N ATOM 0 H ASN A 60 5.460 9.220 5.468 1.00 0.00 H new ATOM 0 HA ASN A 60 5.497 6.375 4.444 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.097 5.970 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.203 7.137 6.148 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.234 8.858 9.255 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.356 7.631 8.657 1.00 0.00 H new ATOM 877 N HIS A 61 2.897 6.960 4.657 1.00 0.00 N ATOM 878 CA HIS A 61 1.455 6.749 4.976 1.00 0.00 C ATOM 879 C HIS A 61 1.086 5.274 4.808 1.00 0.00 C ATOM 880 O HIS A 61 1.808 4.508 4.201 1.00 0.00 O ATOM 881 CB HIS A 61 0.697 7.611 3.966 1.00 0.00 C ATOM 882 CG HIS A 61 0.794 6.989 2.601 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.739 6.021 2.296 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.073 7.185 1.449 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.562 5.674 1.008 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.559 6.353 0.445 1.00 0.00 N ATOM 0 H HIS A 61 3.101 7.159 3.678 1.00 0.00 H new ATOM 0 HA HIS A 61 1.215 7.020 6.004 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.348 7.702 4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.112 8.619 3.948 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.440 5.641 2.932 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.747 7.879 1.339 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.158 4.936 0.492 1.00 0.00 H new ATOM 894 N GLN A 62 -0.034 4.868 5.341 1.00 0.00 N ATOM 895 CA GLN A 62 -0.448 3.442 5.210 1.00 0.00 C ATOM 896 C GLN A 62 -1.413 3.280 4.032 1.00 0.00 C ATOM 897 O GLN A 62 -2.575 3.623 4.116 1.00 0.00 O ATOM 898 CB GLN A 62 -1.149 3.110 6.527 1.00 0.00 C ATOM 899 CG GLN A 62 -2.261 4.129 6.786 1.00 0.00 C ATOM 900 CD GLN A 62 -1.878 5.014 7.973 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.254 6.042 7.802 1.00 0.00 O ATOM 902 NE2 GLN A 62 -2.229 4.656 9.178 1.00 0.00 N ATOM 0 H GLN A 62 -0.680 5.462 5.861 1.00 0.00 H new ATOM 0 HA GLN A 62 0.398 2.781 5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.566 2.104 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.431 3.124 7.347 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.421 4.742 5.899 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.200 3.614 6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.753 3.793 9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.979 5.240 9.976 1.00 0.00 H new ATOM 911 N ILE A 63 -0.940 2.760 2.932 1.00 0.00 N ATOM 912 CA ILE A 63 -1.830 2.578 1.750 1.00 0.00 C ATOM 913 C ILE A 63 -2.848 1.465 2.017 1.00 0.00 C ATOM 914 O ILE A 63 -2.575 0.520 2.729 1.00 0.00 O ATOM 915 CB ILE A 63 -0.897 2.184 0.606 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.079 3.330 0.328 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.720 1.902 -0.651 1.00 0.00 C ATOM 918 CD1 ILE A 63 0.967 2.965 -0.864 1.00 0.00 C ATOM 0 H ILE A 63 0.024 2.453 2.801 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.398 3.480 1.522 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.340 1.289 0.884 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.471 4.248 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.693 3.521 1.208 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.054 1.621 -1.467 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.417 1.087 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.277 2.797 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.662 3.780 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.527 2.058 -0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.345 2.796 -1.743 1.00 0.00 H new ATOM 930 N GLU A 64 -4.016 1.570 1.447 1.00 0.00 N ATOM 931 CA GLU A 64 -5.049 0.517 1.666 1.00 0.00 C ATOM 932 C GLU A 64 -5.299 -0.251 0.364 1.00 0.00 C ATOM 933 O GLU A 64 -5.600 0.328 -0.660 1.00 0.00 O ATOM 934 CB GLU A 64 -6.306 1.277 2.091 1.00 0.00 C ATOM 935 CG GLU A 64 -6.678 0.887 3.523 1.00 0.00 C ATOM 936 CD GLU A 64 -7.835 -0.114 3.496 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.052 -0.711 2.454 1.00 0.00 O ATOM 938 OE2 GLU A 64 -8.485 -0.266 4.517 1.00 0.00 O ATOM 0 H GLU A 64 -4.301 2.338 0.839 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.744 -0.214 2.415 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.133 2.351 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.129 1.047 1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.816 0.449 4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.963 1.773 4.090 1.00 0.00 H new ATOM 945 N PHE A 65 -5.175 -1.550 0.397 1.00 0.00 N ATOM 946 CA PHE A 65 -5.403 -2.352 -0.839 1.00 0.00 C ATOM 947 C PHE A 65 -6.637 -1.836 -1.585 1.00 0.00 C ATOM 948 O PHE A 65 -6.709 -1.892 -2.797 1.00 0.00 O ATOM 949 CB PHE A 65 -5.632 -3.781 -0.348 1.00 0.00 C ATOM 950 CG PHE A 65 -5.858 -4.688 -1.534 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.898 -4.762 -2.551 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.028 -5.453 -1.617 1.00 0.00 C ATOM 953 CE1 PHE A 65 -5.108 -5.602 -3.651 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.238 -6.293 -2.718 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.278 -6.367 -3.735 1.00 0.00 C ATOM 0 H PHE A 65 -4.926 -2.090 1.226 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.564 -2.289 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.771 -4.123 0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.493 -3.815 0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.996 -4.171 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.768 -5.395 -0.832 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.368 -5.660 -4.435 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.140 -6.883 -2.783 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.440 -7.014 -4.584 1.00 0.00 H new ATOM 965 N SER A 66 -7.607 -1.332 -0.872 1.00 0.00 N ATOM 966 CA SER A 66 -8.833 -0.813 -1.543 1.00 0.00 C ATOM 967 C SER A 66 -8.487 0.406 -2.402 1.00 0.00 C ATOM 968 O SER A 66 -8.573 0.369 -3.613 1.00 0.00 O ATOM 969 CB SER A 66 -9.771 -0.418 -0.404 1.00 0.00 C ATOM 970 OG SER A 66 -10.628 -1.510 -0.102 1.00 0.00 O ATOM 0 H SER A 66 -7.604 -1.257 0.145 1.00 0.00 H new ATOM 0 HA SER A 66 -9.286 -1.551 -2.205 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.194 -0.139 0.478 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.360 0.454 -0.688 1.00 0.00 H new ATOM 0 HG SER A 66 -11.230 -1.261 0.630 1.00 0.00 H new ATOM 976 N GLU A 67 -8.094 1.487 -1.785 1.00 0.00 N ATOM 977 CA GLU A 67 -7.742 2.706 -2.568 1.00 0.00 C ATOM 978 C GLU A 67 -6.619 2.389 -3.559 1.00 0.00 C ATOM 979 O GLU A 67 -6.606 2.871 -4.674 1.00 0.00 O ATOM 980 CB GLU A 67 -7.271 3.724 -1.528 1.00 0.00 C ATOM 981 CG GLU A 67 -6.086 3.147 -0.750 1.00 0.00 C ATOM 982 CD GLU A 67 -5.601 4.174 0.274 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.432 4.705 0.991 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.405 4.411 0.326 1.00 0.00 O ATOM 0 H GLU A 67 -8.001 1.579 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.583 3.081 -3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.980 4.653 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.085 3.966 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.381 2.227 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.278 2.890 -1.435 1.00 0.00 H new ATOM 991 N PHE A 68 -5.675 1.581 -3.159 1.00 0.00 N ATOM 992 CA PHE A 68 -4.554 1.231 -4.080 1.00 0.00 C ATOM 993 C PHE A 68 -5.105 0.821 -5.448 1.00 0.00 C ATOM 994 O PHE A 68 -4.809 1.432 -6.456 1.00 0.00 O ATOM 995 CB PHE A 68 -3.845 0.055 -3.408 1.00 0.00 C ATOM 996 CG PHE A 68 -2.945 -0.632 -4.409 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.298 0.119 -5.399 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.757 -2.018 -4.347 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.465 -0.518 -6.326 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.924 -2.654 -5.274 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.278 -1.904 -6.264 1.00 0.00 C ATOM 0 H PHE A 68 -5.631 1.148 -2.236 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.878 2.069 -4.250 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.259 0.407 -2.559 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.579 -0.651 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.442 1.188 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.255 -2.597 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.966 0.060 -7.090 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.779 -3.723 -5.226 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.635 -2.395 -6.980 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.903 -0.210 -5.491 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.472 -0.660 -6.794 1.00 0.00 C ATOM 1013 C LEU A 69 -7.594 0.283 -7.232 1.00 0.00 C ATOM 1014 O LEU A 69 -7.760 0.564 -8.403 1.00 0.00 O ATOM 1015 CB LEU A 69 -7.017 -2.063 -6.525 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.998 -3.103 -6.993 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.609 -2.733 -6.470 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.390 -4.480 -6.453 1.00 0.00 C ATOM 0 H LEU A 69 -6.186 -0.761 -4.681 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.731 -0.661 -7.593 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.219 -2.189 -5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.963 -2.204 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.982 -3.127 -8.083 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.885 -3.475 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.326 -1.752 -6.852 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.625 -2.708 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.664 -5.222 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.406 -4.452 -5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.379 -4.748 -6.824 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.365 0.778 -6.303 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.472 1.705 -6.672 1.00 0.00 C ATOM 1032 C ALA A 70 -8.939 2.826 -7.567 1.00 0.00 C ATOM 1033 O ALA A 70 -9.658 3.389 -8.370 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.973 2.273 -5.343 1.00 0.00 C ATOM 0 H ALA A 70 -8.277 0.581 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.266 1.204 -7.225 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.792 2.967 -5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.325 1.459 -4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.160 2.798 -4.842 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.681 3.151 -7.438 1.00 0.00 N ATOM 1041 CA LEU A 71 -7.099 4.233 -8.284 1.00 0.00 C ATOM 1042 C LEU A 71 -6.243 3.627 -9.398 1.00 0.00 C ATOM 1043 O LEU A 71 -6.197 4.132 -10.504 1.00 0.00 O ATOM 1044 CB LEU A 71 -6.232 5.057 -7.331 1.00 0.00 C ATOM 1045 CG LEU A 71 -7.109 6.066 -6.587 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.301 5.342 -5.959 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.287 6.742 -5.488 1.00 0.00 C ATOM 0 H LEU A 71 -7.031 2.715 -6.784 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.866 4.840 -8.765 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.730 4.401 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.453 5.577 -7.889 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.470 6.819 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.925 6.061 -5.429 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.887 4.860 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.941 4.588 -5.258 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.911 7.461 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.926 5.988 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.438 7.259 -5.935 1.00 0.00 H new ATOM 1059 N MET A 72 -5.566 2.547 -9.120 1.00 0.00 N ATOM 1060 CA MET A 72 -4.714 1.908 -10.164 1.00 0.00 C ATOM 1061 C MET A 72 -5.578 1.461 -11.346 1.00 0.00 C ATOM 1062 O MET A 72 -5.077 1.126 -12.403 1.00 0.00 O ATOM 1063 CB MET A 72 -4.082 0.699 -9.475 1.00 0.00 C ATOM 1064 CG MET A 72 -2.655 1.042 -9.044 1.00 0.00 C ATOM 1065 SD MET A 72 -2.661 2.596 -8.115 1.00 0.00 S ATOM 1066 CE MET A 72 -1.580 3.529 -9.226 1.00 0.00 C ATOM 0 H MET A 72 -5.566 2.078 -8.214 1.00 0.00 H new ATOM 0 HA MET A 72 -3.961 2.590 -10.559 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.675 0.411 -8.607 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.073 -0.155 -10.153 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.247 0.240 -8.429 1.00 0.00 H new ATOM 0 HG3 MET A 72 -2.011 1.132 -9.919 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.131 4.360 -8.683 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.794 2.875 -9.603 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.163 3.915 -10.062 1.00 0.00 H new ATOM 1076 N SER A 73 -6.872 1.453 -11.179 1.00 0.00 N ATOM 1077 CA SER A 73 -7.768 1.027 -12.293 1.00 0.00 C ATOM 1078 C SER A 73 -7.288 1.625 -13.619 1.00 0.00 C ATOM 1079 O SER A 73 -7.531 1.080 -14.677 1.00 0.00 O ATOM 1080 CB SER A 73 -9.144 1.578 -11.923 1.00 0.00 C ATOM 1081 OG SER A 73 -10.001 0.501 -11.566 1.00 0.00 O ATOM 0 H SER A 73 -7.349 1.723 -10.319 1.00 0.00 H new ATOM 0 HA SER A 73 -7.782 -0.055 -12.422 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.057 2.279 -11.093 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.565 2.130 -12.763 1.00 0.00 H new ATOM 0 HG SER A 73 -10.884 0.851 -11.326 1.00 0.00 H new