USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 630 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 9 MET CE :methyl -179:sc= -0.765 (180deg=-0.782) USER MOD Set 1.2: A 83 LYS NZ :NH3+ -143:sc= -0.0316 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= 0.663 (180deg=-0.277) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -4! C(o=-4!,f=-3.6!) USER MOD Single : A 23 THR OG1 : rot -144:sc= -0.628 USER MOD Single : A 38 HIS : no HD1:sc= -0.654 K(o=-0.65,f=-1.2) USER MOD Single : A 41 MET CE :methyl -144:sc= 0 (180deg=-0.0124) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -8.02! C(o=-8!,f=-8.1!) USER MOD Single : A 49 HIS : no HD1:sc= -2.76! X(o=-2.8!,f=-2.4) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -8.7! C(o=-8.7!,f=-6.1!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.53! C(o=-2.5!,f=-3.2!) USER MOD Single : A 75 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.38) USER MOD Single : A 77 SER OG : rot -160:sc= -1.09 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -0.197 -9.591 -9.779 1.00 0.00 N ATOM 60 CA GLY A 7 -0.859 -8.595 -8.958 1.00 0.00 C ATOM 61 C GLY A 7 -0.847 -7.219 -9.593 1.00 0.00 C ATOM 62 O GLY A 7 -0.902 -7.092 -10.817 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.890 -8.901 -8.781 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.370 -8.547 -7.985 1.00 0.00 H new ATOM 66 N ARG A 8 -0.776 -6.185 -8.761 1.00 0.00 N ATOM 67 CA ARG A 8 -0.760 -4.811 -9.249 1.00 0.00 C ATOM 68 C ARG A 8 0.537 -4.110 -8.857 1.00 0.00 C ATOM 69 O ARG A 8 0.671 -3.612 -7.739 1.00 0.00 O ATOM 70 CB ARG A 8 -1.959 -4.037 -8.696 1.00 0.00 C ATOM 71 CG ARG A 8 -1.914 -2.548 -8.998 1.00 0.00 C ATOM 72 CD ARG A 8 -2.924 -1.779 -8.161 1.00 0.00 C ATOM 73 NE ARG A 8 -4.255 -1.793 -8.762 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.577 -1.105 -9.851 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.669 -0.353 -10.457 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.810 -1.168 -10.338 1.00 0.00 N ATOM 0 H ARG A 8 -0.729 -6.273 -7.746 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.824 -4.837 -10.337 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.875 -4.456 -9.113 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.006 -4.179 -7.616 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.912 -2.166 -8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.117 -2.384 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.972 -2.213 -7.162 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.589 -0.748 -8.045 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.977 -2.363 -8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.720 -0.302 -10.087 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.919 0.174 -11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.512 -1.746 -9.876 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.056 -0.639 -11.175 1.00 0.00 H new ATOM 90 N MET A 9 1.488 -4.075 -9.784 1.00 0.00 N ATOM 91 CA MET A 9 2.775 -3.435 -9.535 1.00 0.00 C ATOM 92 C MET A 9 2.642 -1.915 -9.577 1.00 0.00 C ATOM 93 O MET A 9 1.976 -1.365 -10.453 1.00 0.00 O ATOM 94 CB MET A 9 3.807 -3.897 -10.564 1.00 0.00 C ATOM 95 CG MET A 9 4.213 -5.353 -10.406 1.00 0.00 C ATOM 96 SD MET A 9 4.719 -5.754 -8.722 1.00 0.00 S ATOM 97 CE MET A 9 5.801 -7.151 -9.017 1.00 0.00 C ATOM 0 H MET A 9 1.392 -4.482 -10.714 1.00 0.00 H new ATOM 0 HA MET A 9 3.111 -3.726 -8.540 1.00 0.00 H new ATOM 0 HB2 MET A 9 3.402 -3.748 -11.565 1.00 0.00 H new ATOM 0 HB3 MET A 9 4.695 -3.270 -10.483 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.378 -5.992 -10.692 1.00 0.00 H new ATOM 0 HG3 MET A 9 5.032 -5.574 -11.090 1.00 0.00 H new ATOM 0 HE1 MET A 9 6.181 -7.524 -8.066 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.245 -7.942 -9.521 1.00 0.00 H new ATOM 0 HE3 MET A 9 6.636 -6.838 -9.644 1.00 0.00 H new ATOM 107 N VAL A 10 3.281 -1.243 -8.624 1.00 0.00 N ATOM 108 CA VAL A 10 3.235 0.212 -8.554 1.00 0.00 C ATOM 109 C VAL A 10 4.631 0.798 -8.372 1.00 0.00 C ATOM 110 O VAL A 10 5.302 0.533 -7.376 1.00 0.00 O ATOM 111 CB VAL A 10 2.336 0.690 -7.398 1.00 0.00 C ATOM 112 CG1 VAL A 10 2.576 2.164 -7.109 1.00 0.00 C ATOM 113 CG2 VAL A 10 0.872 0.434 -7.722 1.00 0.00 C ATOM 0 H VAL A 10 3.836 -1.683 -7.890 1.00 0.00 H new ATOM 0 HA VAL A 10 2.817 0.561 -9.498 1.00 0.00 H new ATOM 0 HB VAL A 10 2.592 0.123 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.932 2.484 -6.290 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.619 2.315 -6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.349 2.751 -7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.251 0.778 -6.895 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.600 0.974 -8.629 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.714 -0.634 -7.875 1.00 0.00 H new ATOM 123 N GLY A 11 5.062 1.597 -9.344 1.00 0.00 N ATOM 124 CA GLY A 11 6.377 2.209 -9.272 1.00 0.00 C ATOM 125 C GLY A 11 6.359 3.537 -8.541 1.00 0.00 C ATOM 126 O GLY A 11 5.672 4.471 -8.955 1.00 0.00 O ATOM 0 H GLY A 11 4.525 1.831 -10.179 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.064 1.529 -8.767 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.761 2.358 -10.281 1.00 0.00 H new ATOM 130 N ILE A 12 7.114 3.621 -7.452 1.00 0.00 N ATOM 131 CA ILE A 12 7.182 4.844 -6.662 1.00 0.00 C ATOM 132 C ILE A 12 8.540 5.522 -6.813 1.00 0.00 C ATOM 133 O ILE A 12 9.539 4.871 -7.118 1.00 0.00 O ATOM 134 CB ILE A 12 6.923 4.565 -5.169 1.00 0.00 C ATOM 135 CG1 ILE A 12 5.550 3.919 -4.979 1.00 0.00 C ATOM 136 CG2 ILE A 12 7.025 5.853 -4.365 1.00 0.00 C ATOM 137 CD1 ILE A 12 5.414 3.160 -3.678 1.00 0.00 C ATOM 0 H ILE A 12 7.688 2.856 -7.096 1.00 0.00 H new ATOM 0 HA ILE A 12 6.404 5.507 -7.040 1.00 0.00 H new ATOM 0 HB ILE A 12 7.682 3.872 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.784 4.694 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.360 3.238 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 12 6.840 5.640 -3.312 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.023 6.275 -4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.285 6.567 -4.727 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.415 2.729 -3.611 1.00 0.00 H new ATOM 0 HD12 ILE A 12 6.157 2.363 -3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.572 3.841 -2.841 1.00 0.00 H new ATOM 149 N ARG A 13 8.568 6.833 -6.597 1.00 0.00 N ATOM 150 CA ARG A 13 9.803 7.599 -6.709 1.00 0.00 C ATOM 151 C ARG A 13 10.099 8.345 -5.411 1.00 0.00 C ATOM 152 O ARG A 13 9.757 9.519 -5.265 1.00 0.00 O ATOM 153 CB ARG A 13 9.710 8.591 -7.870 1.00 0.00 C ATOM 154 CG ARG A 13 9.857 7.944 -9.237 1.00 0.00 C ATOM 155 CD ARG A 13 11.294 7.525 -9.504 1.00 0.00 C ATOM 156 NE ARG A 13 11.603 7.506 -10.931 1.00 0.00 N ATOM 157 CZ ARG A 13 11.721 8.602 -11.672 1.00 0.00 C ATOM 158 NH1 ARG A 13 11.558 9.798 -11.124 1.00 0.00 N ATOM 159 NH2 ARG A 13 12.004 8.503 -12.965 1.00 0.00 N ATOM 0 H ARG A 13 7.750 7.387 -6.344 1.00 0.00 H new ATOM 0 HA ARG A 13 10.618 6.901 -6.901 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.750 9.105 -7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.484 9.350 -7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.205 7.073 -9.300 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.531 8.642 -10.008 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.972 8.211 -8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.467 6.535 -9.083 1.00 0.00 H new ATOM 0 HE ARG A 13 11.735 6.602 -11.384 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.341 9.879 -10.131 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.649 10.638 -11.696 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.131 7.585 -13.390 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.094 9.345 -13.533 1.00 0.00 H new ATOM 173 N LYS A 14 10.737 7.656 -4.471 1.00 0.00 N ATOM 174 CA LYS A 14 11.081 8.251 -3.185 1.00 0.00 C ATOM 175 C LYS A 14 12.594 8.349 -3.018 1.00 0.00 C ATOM 176 O LYS A 14 13.354 7.801 -3.817 1.00 0.00 O ATOM 177 CB LYS A 14 10.483 7.428 -2.042 1.00 0.00 C ATOM 178 CG LYS A 14 11.135 6.068 -1.867 1.00 0.00 C ATOM 179 CD LYS A 14 11.020 5.575 -0.434 1.00 0.00 C ATOM 180 CE LYS A 14 9.591 5.675 0.077 1.00 0.00 C ATOM 181 NZ LYS A 14 9.317 4.688 1.158 1.00 0.00 N ATOM 0 H LYS A 14 11.027 6.684 -4.576 1.00 0.00 H new ATOM 0 HA LYS A 14 10.664 9.258 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.578 7.990 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.417 7.290 -2.224 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.666 5.349 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.186 6.128 -2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.357 4.540 -0.376 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.679 6.161 0.207 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.409 6.683 0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.898 5.511 -0.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.321 4.391 1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.932 3.858 1.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.506 5.124 2.083 1.00 0.00 H new ATOM 195 N THR A 15 13.025 9.050 -1.974 1.00 0.00 N ATOM 196 CA THR A 15 14.447 9.219 -1.702 1.00 0.00 C ATOM 197 C THR A 15 14.898 8.322 -0.554 1.00 0.00 C ATOM 198 O THR A 15 14.142 8.073 0.384 1.00 0.00 O ATOM 199 CB THR A 15 14.783 10.682 -1.357 1.00 0.00 C ATOM 200 OG1 THR A 15 14.307 11.551 -2.391 1.00 0.00 O ATOM 201 CG2 THR A 15 16.282 10.867 -1.182 1.00 0.00 C ATOM 0 H THR A 15 12.410 9.510 -1.303 1.00 0.00 H new ATOM 0 HA THR A 15 14.978 8.936 -2.611 1.00 0.00 H new ATOM 0 HB THR A 15 14.291 10.932 -0.417 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.523 12.479 -2.163 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.494 11.908 -0.939 1.00 0.00 H new ATOM 0 HG22 THR A 15 16.636 10.226 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 15 16.792 10.599 -2.107 1.00 0.00 H new ATOM 209 N ALA A 16 16.134 7.841 -0.636 1.00 0.00 N ATOM 210 CA ALA A 16 16.686 6.974 0.397 1.00 0.00 C ATOM 211 C ALA A 16 16.451 7.557 1.786 1.00 0.00 C ATOM 212 O ALA A 16 17.243 8.363 2.273 1.00 0.00 O ATOM 213 CB ALA A 16 18.172 6.750 0.160 1.00 0.00 C ATOM 0 H ALA A 16 16.772 8.037 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 16 16.173 6.014 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 16 18.571 6.101 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.319 6.281 -0.813 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.693 7.707 0.184 1.00 0.00 H new ATOM 219 N GLY A 17 15.357 7.145 2.420 1.00 0.00 N ATOM 220 CA GLY A 17 15.039 7.638 3.747 1.00 0.00 C ATOM 221 C GLY A 17 13.784 8.489 3.763 1.00 0.00 C ATOM 222 O GLY A 17 13.818 9.647 4.176 1.00 0.00 O ATOM 0 H GLY A 17 14.686 6.479 2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.911 6.794 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 17 15.877 8.224 4.124 1.00 0.00 H new ATOM 226 N GLU A 18 12.674 7.913 3.311 1.00 0.00 N ATOM 227 CA GLU A 18 11.404 8.628 3.273 1.00 0.00 C ATOM 228 C GLU A 18 10.243 7.691 3.595 1.00 0.00 C ATOM 229 O GLU A 18 10.253 6.519 3.217 1.00 0.00 O ATOM 230 CB GLU A 18 11.193 9.266 1.899 1.00 0.00 C ATOM 231 CG GLU A 18 12.178 10.380 1.588 1.00 0.00 C ATOM 232 CD GLU A 18 11.755 11.713 2.174 1.00 0.00 C ATOM 233 OE1 GLU A 18 11.477 11.764 3.390 1.00 0.00 O ATOM 234 OE2 GLU A 18 11.702 12.705 1.417 1.00 0.00 O ATOM 0 H GLU A 18 12.629 6.954 2.966 1.00 0.00 H new ATOM 0 HA GLU A 18 11.435 9.413 4.028 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.276 8.495 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.179 9.663 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.160 10.111 1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.280 10.478 0.507 1.00 0.00 H new ATOM 241 N HIS A 19 9.243 8.216 4.296 1.00 0.00 N ATOM 242 CA HIS A 19 8.074 7.428 4.669 1.00 0.00 C ATOM 243 C HIS A 19 6.844 7.875 3.884 1.00 0.00 C ATOM 244 O HIS A 19 6.616 9.070 3.694 1.00 0.00 O ATOM 245 CB HIS A 19 7.807 7.551 6.169 1.00 0.00 C ATOM 246 CG HIS A 19 8.573 6.565 6.997 1.00 0.00 C ATOM 247 ND1 HIS A 19 8.836 5.277 6.581 1.00 0.00 N ATOM 248 CD2 HIS A 19 9.136 6.685 8.222 1.00 0.00 C ATOM 249 CE1 HIS A 19 9.525 4.647 7.515 1.00 0.00 C ATOM 250 NE2 HIS A 19 9.721 5.479 8.521 1.00 0.00 N ATOM 0 H HIS A 19 9.219 9.184 4.617 1.00 0.00 H new ATOM 0 HA HIS A 19 8.278 6.385 4.428 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.061 8.560 6.493 1.00 0.00 H new ATOM 0 HB3 HIS A 19 6.741 7.416 6.352 1.00 0.00 H new ATOM 0 HD2 HIS A 19 9.127 7.565 8.848 1.00 0.00 H new ATOM 0 HE1 HIS A 19 9.870 3.625 7.464 1.00 0.00 H new ATOM 0 HE2 HIS A 19 10.225 5.261 9.381 1.00 0.00 H new ATOM 259 N LEU A 20 6.056 6.908 3.428 1.00 0.00 N ATOM 260 CA LEU A 20 4.849 7.201 2.662 1.00 0.00 C ATOM 261 C LEU A 20 3.734 7.701 3.574 1.00 0.00 C ATOM 262 O LEU A 20 3.107 8.724 3.302 1.00 0.00 O ATOM 263 CB LEU A 20 4.386 5.955 1.907 1.00 0.00 C ATOM 264 CG LEU A 20 5.451 5.239 1.075 1.00 0.00 C ATOM 265 CD1 LEU A 20 4.802 4.391 -0.008 1.00 0.00 C ATOM 266 CD2 LEU A 20 6.414 6.245 0.462 1.00 0.00 C ATOM 0 H LEU A 20 6.231 5.914 3.575 1.00 0.00 H new ATOM 0 HA LEU A 20 5.085 7.986 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.981 5.246 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.567 6.239 1.246 1.00 0.00 H new ATOM 0 HG LEU A 20 6.016 4.580 1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.575 3.889 -0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.154 3.646 0.453 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.211 5.029 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.165 5.718 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.863 6.930 -0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.905 6.809 1.255 1.00 0.00 H new ATOM 278 N GLY A 21 3.492 6.972 4.660 1.00 0.00 N ATOM 279 CA GLY A 21 2.453 7.359 5.597 1.00 0.00 C ATOM 280 C GLY A 21 1.259 6.426 5.555 1.00 0.00 C ATOM 281 O GLY A 21 0.142 6.850 5.257 1.00 0.00 O ATOM 0 H GLY A 21 3.997 6.121 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.865 7.372 6.606 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.125 8.374 5.373 1.00 0.00 H new ATOM 285 N VAL A 22 1.493 5.153 5.854 1.00 0.00 N ATOM 286 CA VAL A 22 0.428 4.157 5.848 1.00 0.00 C ATOM 287 C VAL A 22 0.581 3.183 7.011 1.00 0.00 C ATOM 288 O VAL A 22 1.667 3.031 7.571 1.00 0.00 O ATOM 289 CB VAL A 22 0.406 3.365 4.528 1.00 0.00 C ATOM 290 CG1 VAL A 22 0.118 4.290 3.355 1.00 0.00 C ATOM 291 CG2 VAL A 22 1.723 2.629 4.327 1.00 0.00 C ATOM 0 H VAL A 22 2.411 4.786 6.104 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.512 4.699 5.952 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.393 2.625 4.581 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.106 3.713 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.852 4.767 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.893 5.054 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.690 2.074 3.389 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.541 3.349 4.294 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.882 1.936 5.153 1.00 0.00 H new ATOM 301 N THR A 23 -0.515 2.521 7.370 1.00 0.00 N ATOM 302 CA THR A 23 -0.504 1.561 8.466 1.00 0.00 C ATOM 303 C THR A 23 -1.009 0.198 8.007 1.00 0.00 C ATOM 304 O THR A 23 -2.147 0.064 7.559 1.00 0.00 O ATOM 305 CB THR A 23 -1.368 2.045 9.646 1.00 0.00 C ATOM 306 OG1 THR A 23 -2.543 2.701 9.156 1.00 0.00 O ATOM 307 CG2 THR A 23 -0.583 2.997 10.536 1.00 0.00 C ATOM 0 H THR A 23 -1.422 2.633 6.917 1.00 0.00 H new ATOM 0 HA THR A 23 0.531 1.470 8.796 1.00 0.00 H new ATOM 0 HB THR A 23 -1.658 1.176 10.237 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.770 3.449 9.747 1.00 0.00 H new ATOM 0 HG21 THR A 23 -1.213 3.326 11.362 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.295 2.486 10.930 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.268 3.863 9.954 1.00 0.00 H new ATOM 315 N PHE A 24 -0.154 -0.814 8.123 1.00 0.00 N ATOM 316 CA PHE A 24 -0.514 -2.168 7.720 1.00 0.00 C ATOM 317 C PHE A 24 -0.941 -2.999 8.926 1.00 0.00 C ATOM 318 O PHE A 24 -0.452 -2.798 10.038 1.00 0.00 O ATOM 319 CB PHE A 24 0.664 -2.843 7.014 1.00 0.00 C ATOM 320 CG PHE A 24 1.178 -2.068 5.834 1.00 0.00 C ATOM 321 CD1 PHE A 24 0.625 -2.247 4.577 1.00 0.00 C ATOM 322 CD2 PHE A 24 2.216 -1.162 5.983 1.00 0.00 C ATOM 323 CE1 PHE A 24 1.097 -1.536 3.489 1.00 0.00 C ATOM 324 CE2 PHE A 24 2.692 -0.448 4.899 1.00 0.00 C ATOM 325 CZ PHE A 24 2.131 -0.635 3.651 1.00 0.00 C ATOM 0 H PHE A 24 0.792 -0.721 8.493 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.355 -2.103 7.029 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.475 -2.982 7.729 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.358 -3.835 6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.184 -2.950 4.445 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.658 -1.012 6.957 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.658 -1.685 2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.502 0.255 5.028 1.00 0.00 H new ATOM 0 HZ PHE A 24 2.500 -0.077 2.803 1.00 0.00 H new ATOM 335 N ARG A 25 -1.859 -3.934 8.698 1.00 0.00 N ATOM 336 CA ARG A 25 -2.354 -4.794 9.766 1.00 0.00 C ATOM 337 C ARG A 25 -2.178 -6.266 9.404 1.00 0.00 C ATOM 338 O ARG A 25 -2.155 -6.629 8.227 1.00 0.00 O ATOM 339 CB ARG A 25 -3.829 -4.500 10.044 1.00 0.00 C ATOM 340 CG ARG A 25 -4.749 -4.852 8.886 1.00 0.00 C ATOM 341 CD ARG A 25 -6.208 -4.856 9.316 1.00 0.00 C ATOM 342 NE ARG A 25 -6.432 -5.702 10.485 1.00 0.00 N ATOM 343 CZ ARG A 25 -7.556 -5.695 11.193 1.00 0.00 C ATOM 344 NH1 ARG A 25 -8.554 -4.891 10.851 1.00 0.00 N ATOM 345 NH2 ARG A 25 -7.685 -6.494 12.244 1.00 0.00 N ATOM 0 H ARG A 25 -2.274 -4.115 7.784 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.773 -4.586 10.665 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.141 -5.057 10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.942 -3.441 10.278 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.609 -4.135 8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.482 -5.833 8.492 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.522 -3.837 9.541 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.828 -5.206 8.491 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.684 -6.333 10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.459 -4.276 10.043 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.416 -4.888 11.396 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.921 -7.115 12.510 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.549 -6.487 12.787 1.00 0.00 H new ATOM 359 N VAL A 26 -2.053 -7.110 10.423 1.00 0.00 N ATOM 360 CA VAL A 26 -1.879 -8.543 10.212 1.00 0.00 C ATOM 361 C VAL A 26 -3.208 -9.280 10.326 1.00 0.00 C ATOM 362 O VAL A 26 -3.696 -9.535 11.426 1.00 0.00 O ATOM 363 CB VAL A 26 -0.884 -9.142 11.224 1.00 0.00 C ATOM 364 CG1 VAL A 26 -0.646 -10.615 10.930 1.00 0.00 C ATOM 365 CG2 VAL A 26 0.425 -8.368 11.206 1.00 0.00 C ATOM 0 H VAL A 26 -2.069 -6.827 11.403 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.482 -8.669 9.205 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.314 -9.060 12.222 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.059 -11.021 11.655 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.589 -11.157 10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.237 -10.724 9.925 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.116 -8.805 11.927 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.862 -8.416 10.209 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.236 -7.327 11.469 1.00 0.00 H new ATOM 375 N GLU A 27 -3.790 -9.620 9.179 1.00 0.00 N ATOM 376 CA GLU A 27 -5.064 -10.329 9.151 1.00 0.00 C ATOM 377 C GLU A 27 -5.017 -11.492 8.164 1.00 0.00 C ATOM 378 O GLU A 27 -4.916 -11.291 6.955 1.00 0.00 O ATOM 379 CB GLU A 27 -6.197 -9.371 8.774 1.00 0.00 C ATOM 380 CG GLU A 27 -6.077 -8.810 7.367 1.00 0.00 C ATOM 381 CD GLU A 27 -6.783 -9.668 6.335 1.00 0.00 C ATOM 382 OE1 GLU A 27 -7.642 -10.485 6.730 1.00 0.00 O ATOM 383 OE2 GLU A 27 -6.477 -9.524 5.133 1.00 0.00 O ATOM 0 H GLU A 27 -3.400 -9.416 8.259 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.251 -10.728 10.148 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.149 -9.893 8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.215 -8.545 9.485 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.495 -7.803 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.023 -8.724 7.103 1.00 0.00 H new ATOM 390 N GLY A 28 -5.092 -12.711 8.691 1.00 0.00 N ATOM 391 CA GLY A 28 -5.056 -13.888 7.844 1.00 0.00 C ATOM 392 C GLY A 28 -3.647 -14.256 7.421 1.00 0.00 C ATOM 393 O GLY A 28 -3.449 -14.904 6.395 1.00 0.00 O ATOM 0 H GLY A 28 -5.177 -12.904 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.503 -14.728 8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.664 -13.712 6.957 1.00 0.00 H new ATOM 397 N GLY A 29 -2.665 -13.839 8.215 1.00 0.00 N ATOM 398 CA GLY A 29 -1.280 -14.136 7.899 1.00 0.00 C ATOM 399 C GLY A 29 -0.684 -13.148 6.917 1.00 0.00 C ATOM 400 O GLY A 29 0.535 -13.003 6.835 1.00 0.00 O ATOM 0 H GLY A 29 -2.804 -13.301 9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.692 -14.131 8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.213 -15.142 7.484 1.00 0.00 H new ATOM 404 N GLU A 30 -1.546 -12.467 6.168 1.00 0.00 N ATOM 405 CA GLU A 30 -1.097 -11.489 5.184 1.00 0.00 C ATOM 406 C GLU A 30 -1.180 -10.073 5.747 1.00 0.00 C ATOM 407 O GLU A 30 -1.736 -9.853 6.824 1.00 0.00 O ATOM 408 CB GLU A 30 -1.936 -11.594 3.909 1.00 0.00 C ATOM 409 CG GLU A 30 -3.399 -11.237 4.111 1.00 0.00 C ATOM 410 CD GLU A 30 -4.313 -11.946 3.131 1.00 0.00 C ATOM 411 OE1 GLU A 30 -3.950 -12.033 1.939 1.00 0.00 O ATOM 412 OE2 GLU A 30 -5.390 -12.414 3.555 1.00 0.00 O ATOM 0 H GLU A 30 -2.559 -12.575 6.224 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.056 -11.705 4.944 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.512 -10.936 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.869 -12.611 3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.695 -11.493 5.128 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.524 -10.159 4.005 1.00 0.00 H new ATOM 419 N LEU A 31 -0.625 -9.117 5.011 1.00 0.00 N ATOM 420 CA LEU A 31 -0.635 -7.722 5.436 1.00 0.00 C ATOM 421 C LEU A 31 -1.547 -6.887 4.542 1.00 0.00 C ATOM 422 O LEU A 31 -1.645 -7.129 3.339 1.00 0.00 O ATOM 423 CB LEU A 31 0.783 -7.150 5.412 1.00 0.00 C ATOM 424 CG LEU A 31 1.588 -7.297 6.704 1.00 0.00 C ATOM 425 CD1 LEU A 31 2.998 -6.758 6.519 1.00 0.00 C ATOM 426 CD2 LEU A 31 0.889 -6.585 7.852 1.00 0.00 C ATOM 0 H LEU A 31 -0.162 -9.282 4.117 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.019 -7.682 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.335 -7.634 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.722 -6.090 5.164 1.00 0.00 H new ATOM 0 HG LEU A 31 1.656 -8.357 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.556 -6.871 7.449 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.499 -7.313 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 31 2.952 -5.703 6.250 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.476 -6.700 8.763 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.789 -5.525 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.100 -7.018 8.001 1.00 0.00 H new ATOM 438 N VAL A 32 -2.212 -5.902 5.138 1.00 0.00 N ATOM 439 CA VAL A 32 -3.113 -5.029 4.396 1.00 0.00 C ATOM 440 C VAL A 32 -3.100 -3.615 4.964 1.00 0.00 C ATOM 441 O VAL A 32 -3.023 -3.423 6.178 1.00 0.00 O ATOM 442 CB VAL A 32 -4.557 -5.565 4.416 1.00 0.00 C ATOM 443 CG1 VAL A 32 -5.147 -5.456 5.814 1.00 0.00 C ATOM 444 CG2 VAL A 32 -5.416 -4.820 3.406 1.00 0.00 C ATOM 0 H VAL A 32 -2.143 -5.689 6.133 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.755 -5.007 3.367 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.539 -6.618 4.136 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.167 -5.839 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.544 -6.039 6.510 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.153 -4.412 6.126 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.433 -5.212 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.429 -3.758 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.002 -4.955 2.407 1.00 0.00 H new ATOM 454 N ILE A 33 -3.175 -2.627 4.078 1.00 0.00 N ATOM 455 CA ILE A 33 -3.174 -1.229 4.492 1.00 0.00 C ATOM 456 C ILE A 33 -4.402 -0.904 5.334 1.00 0.00 C ATOM 457 O ILE A 33 -5.445 -0.520 4.806 1.00 0.00 O ATOM 458 CB ILE A 33 -3.132 -0.283 3.277 1.00 0.00 C ATOM 459 CG1 ILE A 33 -1.779 -0.383 2.570 1.00 0.00 C ATOM 460 CG2 ILE A 33 -3.404 1.149 3.712 1.00 0.00 C ATOM 461 CD1 ILE A 33 -1.692 0.450 1.311 1.00 0.00 C ATOM 0 H ILE A 33 -3.237 -2.769 3.070 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.276 -1.078 5.091 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.910 -0.583 2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.994 -0.069 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -1.585 -1.426 2.320 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.371 1.806 2.843 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.389 1.208 4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.647 1.461 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.706 0.330 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.454 0.122 0.604 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.854 1.499 1.557 1.00 0.00 H new ATOM 473 N ALA A 34 -4.270 -1.058 6.648 1.00 0.00 N ATOM 474 CA ALA A 34 -5.368 -0.777 7.564 1.00 0.00 C ATOM 475 C ALA A 34 -5.851 0.662 7.417 1.00 0.00 C ATOM 476 O ALA A 34 -7.053 0.927 7.419 1.00 0.00 O ATOM 477 CB ALA A 34 -4.940 -1.048 8.999 1.00 0.00 C ATOM 0 H ALA A 34 -3.413 -1.376 7.101 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.197 -1.438 7.312 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.770 -0.834 9.673 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.650 -2.094 9.101 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.093 -0.411 9.253 1.00 0.00 H new ATOM 483 N ARG A 35 -4.906 1.589 7.291 1.00 0.00 N ATOM 484 CA ARG A 35 -5.236 3.001 7.145 1.00 0.00 C ATOM 485 C ARG A 35 -4.135 3.741 6.391 1.00 0.00 C ATOM 486 O ARG A 35 -2.975 3.330 6.405 1.00 0.00 O ATOM 487 CB ARG A 35 -5.448 3.642 8.517 1.00 0.00 C ATOM 488 CG ARG A 35 -5.171 5.136 8.542 1.00 0.00 C ATOM 489 CD ARG A 35 -5.807 5.801 9.752 1.00 0.00 C ATOM 490 NE ARG A 35 -5.746 7.258 9.671 1.00 0.00 N ATOM 491 CZ ARG A 35 -6.175 8.066 10.634 1.00 0.00 C ATOM 492 NH1 ARG A 35 -6.693 7.562 11.745 1.00 0.00 N ATOM 493 NH2 ARG A 35 -6.085 9.382 10.487 1.00 0.00 N ATOM 0 H ARG A 35 -3.906 1.387 7.287 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.160 3.075 6.571 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.476 3.466 8.835 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.801 3.149 9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.095 5.307 8.555 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.555 5.594 7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.847 5.486 9.834 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.300 5.467 10.657 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.352 7.678 8.829 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.763 6.551 11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.022 8.185 12.483 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.686 9.774 9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.415 10.002 11.227 1.00 0.00 H new ATOM 507 N ILE A 36 -4.508 4.834 5.733 1.00 0.00 N ATOM 508 CA ILE A 36 -3.552 5.631 4.974 1.00 0.00 C ATOM 509 C ILE A 36 -3.478 7.057 5.509 1.00 0.00 C ATOM 510 O ILE A 36 -4.391 7.858 5.301 1.00 0.00 O ATOM 511 CB ILE A 36 -3.917 5.674 3.478 1.00 0.00 C ATOM 512 CG1 ILE A 36 -3.851 4.270 2.874 1.00 0.00 C ATOM 513 CG2 ILE A 36 -2.989 6.622 2.733 1.00 0.00 C ATOM 514 CD1 ILE A 36 -4.542 4.156 1.533 1.00 0.00 C ATOM 0 H ILE A 36 -5.465 5.187 5.710 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.580 5.152 5.089 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.937 6.044 3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.806 3.981 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.304 3.563 3.569 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.260 6.641 1.677 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.082 7.625 3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.959 6.280 2.837 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.455 3.134 1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.595 4.414 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.074 4.838 0.823 1.00 0.00 H new ATOM 526 N LEU A 37 -2.386 7.369 6.197 1.00 0.00 N ATOM 527 CA LEU A 37 -2.191 8.700 6.761 1.00 0.00 C ATOM 528 C LEU A 37 -2.622 9.779 5.772 1.00 0.00 C ATOM 529 O LEU A 37 -1.978 9.985 4.743 1.00 0.00 O ATOM 530 CB LEU A 37 -0.725 8.902 7.147 1.00 0.00 C ATOM 531 CG LEU A 37 -0.165 7.932 8.188 1.00 0.00 C ATOM 532 CD1 LEU A 37 1.108 8.489 8.806 1.00 0.00 C ATOM 533 CD2 LEU A 37 -1.202 7.648 9.264 1.00 0.00 C ATOM 0 H LEU A 37 -1.622 6.718 6.378 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.810 8.784 7.654 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.119 8.825 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.606 9.917 7.525 1.00 0.00 H new ATOM 0 HG LEU A 37 0.078 6.994 7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.492 7.785 9.544 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.855 8.641 8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.891 9.441 9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.786 6.956 9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.476 8.579 9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.087 7.205 8.808 1.00 0.00 H new ATOM 545 N HIS A 38 -3.714 10.466 6.093 1.00 0.00 N ATOM 546 CA HIS A 38 -4.229 11.526 5.234 1.00 0.00 C ATOM 547 C HIS A 38 -3.131 12.527 4.887 1.00 0.00 C ATOM 548 O HIS A 38 -2.550 13.157 5.770 1.00 0.00 O ATOM 549 CB HIS A 38 -5.393 12.245 5.918 1.00 0.00 C ATOM 550 CG HIS A 38 -4.960 13.345 6.838 1.00 0.00 C ATOM 551 ND1 HIS A 38 -4.842 14.659 6.437 1.00 0.00 N ATOM 552 CD2 HIS A 38 -4.618 13.320 8.147 1.00 0.00 C ATOM 553 CE1 HIS A 38 -4.444 15.394 7.460 1.00 0.00 C ATOM 554 NE2 HIS A 38 -4.301 14.606 8.510 1.00 0.00 N ATOM 0 H HIS A 38 -4.259 10.308 6.941 1.00 0.00 H new ATOM 0 HA HIS A 38 -4.585 11.070 4.310 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -6.052 12.659 5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -5.976 11.518 6.483 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.598 12.450 8.787 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.266 16.459 7.441 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -4.004 14.904 9.439 1.00 0.00 H new ATOM 563 N GLY A 39 -2.850 12.667 3.595 1.00 0.00 N ATOM 564 CA GLY A 39 -1.822 13.592 3.155 1.00 0.00 C ATOM 565 C GLY A 39 -0.450 12.949 3.097 1.00 0.00 C ATOM 566 O GLY A 39 0.266 12.906 4.097 1.00 0.00 O ATOM 0 H GLY A 39 -3.316 12.156 2.845 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.082 13.977 2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.792 14.446 3.832 1.00 0.00 H new ATOM 570 N GLY A 40 -0.084 12.444 1.923 1.00 0.00 N ATOM 571 CA GLY A 40 1.209 11.805 1.761 1.00 0.00 C ATOM 572 C GLY A 40 1.380 11.182 0.390 1.00 0.00 C ATOM 573 O GLY A 40 0.565 11.402 -0.505 1.00 0.00 O ATOM 0 H GLY A 40 -0.660 12.466 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.997 12.540 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.329 11.036 2.524 1.00 0.00 H new ATOM 577 N MET A 41 2.444 10.403 0.224 1.00 0.00 N ATOM 578 CA MET A 41 2.719 9.746 -1.048 1.00 0.00 C ATOM 579 C MET A 41 1.543 8.874 -1.476 1.00 0.00 C ATOM 580 O MET A 41 0.812 9.213 -2.407 1.00 0.00 O ATOM 581 CB MET A 41 3.987 8.897 -0.945 1.00 0.00 C ATOM 582 CG MET A 41 4.372 8.217 -2.249 1.00 0.00 C ATOM 583 SD MET A 41 5.335 9.288 -3.333 1.00 0.00 S ATOM 584 CE MET A 41 6.960 9.146 -2.593 1.00 0.00 C ATOM 0 H MET A 41 3.130 10.212 0.955 1.00 0.00 H new ATOM 0 HA MET A 41 2.868 10.519 -1.802 1.00 0.00 H new ATOM 0 HB2 MET A 41 4.812 9.530 -0.617 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.844 8.137 -0.177 1.00 0.00 H new ATOM 0 HG2 MET A 41 4.947 7.318 -2.029 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.468 7.899 -2.769 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.475 10.104 -2.660 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.859 8.861 -1.546 1.00 0.00 H new ATOM 0 HE3 MET A 41 7.536 8.386 -3.122 1.00 0.00 H new ATOM 594 N VAL A 42 1.365 7.750 -0.790 1.00 0.00 N ATOM 595 CA VAL A 42 0.277 6.830 -1.098 1.00 0.00 C ATOM 596 C VAL A 42 -1.073 7.535 -1.038 1.00 0.00 C ATOM 597 O VAL A 42 -1.923 7.346 -1.908 1.00 0.00 O ATOM 598 CB VAL A 42 0.262 5.633 -0.129 1.00 0.00 C ATOM 599 CG1 VAL A 42 -1.036 4.852 -0.265 1.00 0.00 C ATOM 600 CG2 VAL A 42 1.464 4.733 -0.375 1.00 0.00 C ATOM 0 H VAL A 42 1.961 7.454 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 42 0.449 6.466 -2.111 1.00 0.00 H new ATOM 0 HB VAL A 42 0.324 6.013 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.028 4.010 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.879 5.504 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.133 4.482 -1.286 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.437 3.893 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.436 4.360 -1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.381 5.301 -0.221 1.00 0.00 H new ATOM 610 N ALA A 43 -1.263 8.351 -0.006 1.00 0.00 N ATOM 611 CA ALA A 43 -2.509 9.087 0.166 1.00 0.00 C ATOM 612 C ALA A 43 -2.945 9.741 -1.141 1.00 0.00 C ATOM 613 O ALA A 43 -4.130 9.755 -1.472 1.00 0.00 O ATOM 614 CB ALA A 43 -2.355 10.136 1.258 1.00 0.00 C ATOM 0 H ALA A 43 -0.570 8.519 0.723 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.283 8.379 0.463 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.293 10.679 1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.097 9.648 2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.564 10.834 0.983 1.00 0.00 H new ATOM 620 N GLN A 44 -1.980 10.282 -1.877 1.00 0.00 N ATOM 621 CA GLN A 44 -2.267 10.939 -3.147 1.00 0.00 C ATOM 622 C GLN A 44 -2.555 9.913 -4.238 1.00 0.00 C ATOM 623 O GLN A 44 -3.669 9.843 -4.757 1.00 0.00 O ATOM 624 CB GLN A 44 -1.092 11.826 -3.563 1.00 0.00 C ATOM 625 CG GLN A 44 -0.967 13.097 -2.738 1.00 0.00 C ATOM 626 CD GLN A 44 -1.747 14.255 -3.329 1.00 0.00 C ATOM 627 OE1 GLN A 44 -2.900 14.491 -2.968 1.00 0.00 O ATOM 628 NE2 GLN A 44 -1.119 14.986 -4.243 1.00 0.00 N ATOM 0 H GLN A 44 -0.994 10.279 -1.617 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.153 11.560 -3.014 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.168 11.254 -3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.204 12.094 -4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.321 12.905 -1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.084 13.374 -2.661 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -0.163 14.754 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.593 15.779 -4.675 1.00 0.00 H new ATOM 637 N GLN A 45 -1.545 9.121 -4.580 1.00 0.00 N ATOM 638 CA GLN A 45 -1.691 8.099 -5.611 1.00 0.00 C ATOM 639 C GLN A 45 -2.928 7.244 -5.357 1.00 0.00 C ATOM 640 O GLN A 45 -2.983 6.485 -4.391 1.00 0.00 O ATOM 641 CB GLN A 45 -0.445 7.213 -5.661 1.00 0.00 C ATOM 642 CG GLN A 45 -0.390 6.178 -4.549 1.00 0.00 C ATOM 643 CD GLN A 45 1.023 5.717 -4.250 1.00 0.00 C ATOM 644 OE1 GLN A 45 1.345 4.536 -4.385 1.00 0.00 O ATOM 645 NE2 GLN A 45 1.876 6.649 -3.842 1.00 0.00 N ATOM 0 H GLN A 45 -0.617 9.166 -4.159 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.809 8.601 -6.571 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.411 6.702 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.442 7.844 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.830 6.598 -3.645 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.997 5.317 -4.829 1.00 0.00 H new ATOM 0 HE21 GLN A 45 1.566 7.616 -3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.841 6.398 -3.627 1.00 0.00 H new ATOM 654 N GLY A 46 -3.920 7.373 -6.233 1.00 0.00 N ATOM 655 CA GLY A 46 -5.143 6.605 -6.086 1.00 0.00 C ATOM 656 C GLY A 46 -4.918 5.116 -6.255 1.00 0.00 C ATOM 657 O GLY A 46 -5.844 4.319 -6.104 1.00 0.00 O ATOM 0 H GLY A 46 -3.899 7.995 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.571 6.795 -5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.872 6.945 -6.822 1.00 0.00 H new ATOM 661 N LEU A 47 -3.684 4.739 -6.571 1.00 0.00 N ATOM 662 CA LEU A 47 -3.339 3.334 -6.762 1.00 0.00 C ATOM 663 C LEU A 47 -3.578 2.536 -5.485 1.00 0.00 C ATOM 664 O LEU A 47 -4.359 1.583 -5.473 1.00 0.00 O ATOM 665 CB LEU A 47 -1.877 3.202 -7.194 1.00 0.00 C ATOM 666 CG LEU A 47 -1.463 4.016 -8.420 1.00 0.00 C ATOM 667 CD1 LEU A 47 0.004 4.408 -8.330 1.00 0.00 C ATOM 668 CD2 LEU A 47 -1.730 3.232 -9.696 1.00 0.00 C ATOM 0 H LEU A 47 -2.906 5.386 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.981 2.931 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.244 3.496 -6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.672 2.150 -7.395 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.061 4.927 -8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.281 4.987 -9.211 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.166 5.009 -7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.618 3.509 -8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.429 3.827 -10.558 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.159 2.304 -9.679 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.793 3.003 -9.766 1.00 0.00 H new ATOM 680 N LEU A 48 -2.903 2.931 -4.411 1.00 0.00 N ATOM 681 CA LEU A 48 -3.044 2.253 -3.127 1.00 0.00 C ATOM 682 C LEU A 48 -4.209 2.833 -2.331 1.00 0.00 C ATOM 683 O LEU A 48 -4.440 4.042 -2.340 1.00 0.00 O ATOM 684 CB LEU A 48 -1.750 2.373 -2.321 1.00 0.00 C ATOM 685 CG LEU A 48 -0.497 1.787 -2.972 1.00 0.00 C ATOM 686 CD1 LEU A 48 0.745 2.532 -2.506 1.00 0.00 C ATOM 687 CD2 LEU A 48 -0.378 0.302 -2.661 1.00 0.00 C ATOM 0 H LEU A 48 -2.253 3.717 -4.404 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.248 1.200 -3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.569 3.428 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.898 1.883 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.583 1.906 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.627 2.101 -2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.663 3.584 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.836 2.446 -1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.520 -0.098 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.315 0.160 -1.582 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.253 -0.221 -3.045 1.00 0.00 H new ATOM 699 N HIS A 49 -4.938 1.962 -1.640 1.00 0.00 N ATOM 700 CA HIS A 49 -6.077 2.388 -0.835 1.00 0.00 C ATOM 701 C HIS A 49 -6.341 1.401 0.298 1.00 0.00 C ATOM 702 O HIS A 49 -5.825 0.283 0.295 1.00 0.00 O ATOM 703 CB HIS A 49 -7.324 2.524 -1.709 1.00 0.00 C ATOM 704 CG HIS A 49 -7.540 1.361 -2.628 1.00 0.00 C ATOM 705 ND1 HIS A 49 -7.962 0.123 -2.191 1.00 0.00 N ATOM 706 CD2 HIS A 49 -7.393 1.254 -3.970 1.00 0.00 C ATOM 707 CE1 HIS A 49 -8.062 -0.695 -3.222 1.00 0.00 C ATOM 708 NE2 HIS A 49 -7.723 -0.034 -4.314 1.00 0.00 N ATOM 0 H HIS A 49 -4.760 0.958 -1.622 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.840 3.359 -0.400 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -8.197 2.636 -1.067 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.245 3.435 -2.302 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -7.075 2.036 -4.644 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.369 -1.730 -3.180 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.709 -0.418 -5.259 1.00 0.00 H new ATOM 717 N VAL A 50 -7.147 1.822 1.268 1.00 0.00 N ATOM 718 CA VAL A 50 -7.480 0.975 2.407 1.00 0.00 C ATOM 719 C VAL A 50 -8.018 -0.376 1.949 1.00 0.00 C ATOM 720 O VAL A 50 -9.038 -0.451 1.266 1.00 0.00 O ATOM 721 CB VAL A 50 -8.522 1.647 3.321 1.00 0.00 C ATOM 722 CG1 VAL A 50 -8.923 0.712 4.452 1.00 0.00 C ATOM 723 CG2 VAL A 50 -7.982 2.959 3.869 1.00 0.00 C ATOM 0 H VAL A 50 -7.581 2.745 1.288 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.558 0.824 2.969 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.411 1.865 2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.660 1.204 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.353 -0.199 4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.044 0.460 5.045 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.731 3.420 4.513 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.077 2.768 4.445 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.751 3.631 3.042 1.00 0.00 H new ATOM 733 N GLY A 51 -7.323 -1.444 2.332 1.00 0.00 N ATOM 734 CA GLY A 51 -7.747 -2.779 1.952 1.00 0.00 C ATOM 735 C GLY A 51 -6.865 -3.382 0.876 1.00 0.00 C ATOM 736 O GLY A 51 -7.263 -4.330 0.197 1.00 0.00 O ATOM 0 H GLY A 51 -6.475 -1.408 2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.736 -3.424 2.830 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.776 -2.743 1.596 1.00 0.00 H new ATOM 740 N ASP A 52 -5.667 -2.832 0.717 1.00 0.00 N ATOM 741 CA ASP A 52 -4.727 -3.321 -0.285 1.00 0.00 C ATOM 742 C ASP A 52 -3.754 -4.324 0.327 1.00 0.00 C ATOM 743 O ASP A 52 -2.989 -3.988 1.232 1.00 0.00 O ATOM 744 CB ASP A 52 -3.955 -2.155 -0.904 1.00 0.00 C ATOM 745 CG ASP A 52 -4.662 -1.568 -2.109 1.00 0.00 C ATOM 746 OD1 ASP A 52 -5.903 -1.691 -2.187 1.00 0.00 O ATOM 747 OD2 ASP A 52 -3.976 -0.986 -2.975 1.00 0.00 O ATOM 0 H ASP A 52 -5.323 -2.047 1.269 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.296 -3.824 -1.066 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.815 -1.377 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.963 -2.496 -1.199 1.00 0.00 H new ATOM 752 N ILE A 53 -3.788 -5.555 -0.172 1.00 0.00 N ATOM 753 CA ILE A 53 -2.909 -6.605 0.326 1.00 0.00 C ATOM 754 C ILE A 53 -1.586 -6.620 -0.432 1.00 0.00 C ATOM 755 O ILE A 53 -1.558 -6.481 -1.655 1.00 0.00 O ATOM 756 CB ILE A 53 -3.569 -7.992 0.211 1.00 0.00 C ATOM 757 CG1 ILE A 53 -4.881 -8.024 0.997 1.00 0.00 C ATOM 758 CG2 ILE A 53 -2.620 -9.073 0.710 1.00 0.00 C ATOM 759 CD1 ILE A 53 -5.989 -7.217 0.356 1.00 0.00 C ATOM 0 H ILE A 53 -4.415 -5.849 -0.921 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.720 -6.387 1.377 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.791 -8.186 -0.838 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.209 -9.059 1.100 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.702 -7.645 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.100 -10.048 0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.709 -9.062 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.370 -8.884 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.889 -7.285 0.967 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.681 -6.174 0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.196 -7.610 -0.640 1.00 0.00 H new ATOM 771 N ILE A 54 -0.492 -6.790 0.302 1.00 0.00 N ATOM 772 CA ILE A 54 0.835 -6.826 -0.301 1.00 0.00 C ATOM 773 C ILE A 54 1.333 -8.260 -0.449 1.00 0.00 C ATOM 774 O ILE A 54 1.105 -9.101 0.421 1.00 0.00 O ATOM 775 CB ILE A 54 1.853 -6.024 0.530 1.00 0.00 C ATOM 776 CG1 ILE A 54 1.387 -4.575 0.689 1.00 0.00 C ATOM 777 CG2 ILE A 54 3.227 -6.076 -0.122 1.00 0.00 C ATOM 778 CD1 ILE A 54 0.505 -4.353 1.897 1.00 0.00 C ATOM 0 H ILE A 54 -0.498 -6.905 1.315 1.00 0.00 H new ATOM 0 HA ILE A 54 0.746 -6.371 -1.288 1.00 0.00 H new ATOM 0 HB ILE A 54 1.925 -6.473 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.260 -3.927 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.844 -4.276 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.936 -5.504 0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.560 -7.112 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.171 -5.649 -1.123 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.213 -3.304 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.387 -4.975 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.052 -4.620 2.801 1.00 0.00 H new ATOM 790 N LYS A 55 2.015 -8.532 -1.556 1.00 0.00 N ATOM 791 CA LYS A 55 2.549 -9.863 -1.819 1.00 0.00 C ATOM 792 C LYS A 55 4.066 -9.881 -1.660 1.00 0.00 C ATOM 793 O LYS A 55 4.604 -10.625 -0.841 1.00 0.00 O ATOM 794 CB LYS A 55 2.168 -10.319 -3.229 1.00 0.00 C ATOM 795 CG LYS A 55 2.860 -11.599 -3.662 1.00 0.00 C ATOM 796 CD LYS A 55 2.037 -12.826 -3.308 1.00 0.00 C ATOM 797 CE LYS A 55 2.257 -13.953 -4.306 1.00 0.00 C ATOM 798 NZ LYS A 55 3.366 -14.855 -3.889 1.00 0.00 N ATOM 0 H LYS A 55 2.211 -7.848 -2.286 1.00 0.00 H new ATOM 0 HA LYS A 55 2.116 -10.551 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.089 -10.466 -3.275 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.412 -9.527 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.033 -11.574 -4.738 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.837 -11.665 -3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.303 -13.168 -2.308 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.980 -12.562 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.339 -14.531 -4.410 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.481 -13.532 -5.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.484 -15.609 -4.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.248 -14.309 -3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.141 -15.277 -2.966 1.00 0.00 H new ATOM 812 N GLU A 56 4.749 -9.056 -2.448 1.00 0.00 N ATOM 813 CA GLU A 56 6.204 -8.979 -2.393 1.00 0.00 C ATOM 814 C GLU A 56 6.698 -7.635 -2.921 1.00 0.00 C ATOM 815 O GLU A 56 6.084 -7.040 -3.808 1.00 0.00 O ATOM 816 CB GLU A 56 6.829 -10.118 -3.202 1.00 0.00 C ATOM 817 CG GLU A 56 8.347 -10.064 -3.256 1.00 0.00 C ATOM 818 CD GLU A 56 8.973 -11.436 -3.412 1.00 0.00 C ATOM 819 OE1 GLU A 56 8.905 -12.231 -2.451 1.00 0.00 O ATOM 820 OE2 GLU A 56 9.532 -11.715 -4.493 1.00 0.00 O ATOM 0 H GLU A 56 4.319 -8.433 -3.131 1.00 0.00 H new ATOM 0 HA GLU A 56 6.508 -9.075 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.523 -11.070 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.436 -10.089 -4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.655 -9.431 -4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.723 -9.598 -2.345 1.00 0.00 H new ATOM 827 N VAL A 57 7.811 -7.161 -2.370 1.00 0.00 N ATOM 828 CA VAL A 57 8.388 -5.888 -2.785 1.00 0.00 C ATOM 829 C VAL A 57 9.870 -6.037 -3.111 1.00 0.00 C ATOM 830 O VAL A 57 10.626 -6.639 -2.349 1.00 0.00 O ATOM 831 CB VAL A 57 8.219 -4.814 -1.694 1.00 0.00 C ATOM 832 CG1 VAL A 57 8.858 -5.269 -0.391 1.00 0.00 C ATOM 833 CG2 VAL A 57 8.812 -3.491 -2.155 1.00 0.00 C ATOM 0 H VAL A 57 8.331 -7.640 -1.635 1.00 0.00 H new ATOM 0 HA VAL A 57 7.852 -5.574 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 57 7.154 -4.667 -1.515 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.728 -4.497 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.383 -6.191 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.922 -5.446 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.684 -2.743 -1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.874 -3.621 -2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.303 -3.160 -3.060 1.00 0.00 H new ATOM 843 N ASN A 58 10.278 -5.484 -4.248 1.00 0.00 N ATOM 844 CA ASN A 58 11.671 -5.555 -4.676 1.00 0.00 C ATOM 845 C ASN A 58 12.198 -6.983 -4.575 1.00 0.00 C ATOM 846 O ASN A 58 13.400 -7.204 -4.431 1.00 0.00 O ATOM 847 CB ASN A 58 12.535 -4.620 -3.828 1.00 0.00 C ATOM 848 CG ASN A 58 11.796 -3.358 -3.424 1.00 0.00 C ATOM 849 OD1 ASN A 58 11.587 -3.101 -2.239 1.00 0.00 O ATOM 850 ND2 ASN A 58 11.397 -2.565 -4.412 1.00 0.00 N ATOM 0 H ASN A 58 9.665 -4.982 -4.890 1.00 0.00 H new ATOM 0 HA ASN A 58 11.722 -5.240 -5.718 1.00 0.00 H new ATOM 0 HB2 ASN A 58 12.865 -5.147 -2.933 1.00 0.00 H new ATOM 0 HB3 ASN A 58 13.431 -4.350 -4.388 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.895 -1.702 -4.202 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.593 -2.819 -5.380 1.00 0.00 H new ATOM 857 N GLY A 59 11.290 -7.951 -4.653 1.00 0.00 N ATOM 858 CA GLY A 59 11.683 -9.346 -4.569 1.00 0.00 C ATOM 859 C GLY A 59 12.035 -9.765 -3.156 1.00 0.00 C ATOM 860 O GLY A 59 13.020 -10.470 -2.939 1.00 0.00 O ATOM 0 H GLY A 59 10.289 -7.794 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.871 -9.972 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.540 -9.519 -5.220 1.00 0.00 H new ATOM 864 N GLN A 60 11.229 -9.330 -2.193 1.00 0.00 N ATOM 865 CA GLN A 60 11.463 -9.663 -0.793 1.00 0.00 C ATOM 866 C GLN A 60 10.145 -9.883 -0.058 1.00 0.00 C ATOM 867 O GLN A 60 9.174 -9.149 -0.241 1.00 0.00 O ATOM 868 CB GLN A 60 12.262 -8.552 -0.109 1.00 0.00 C ATOM 869 CG GLN A 60 11.949 -8.400 1.371 1.00 0.00 C ATOM 870 CD GLN A 60 13.036 -7.658 2.124 1.00 0.00 C ATOM 871 OE1 GLN A 60 13.470 -6.583 1.710 1.00 0.00 O ATOM 872 NE2 GLN A 60 13.481 -8.229 3.237 1.00 0.00 N ATOM 0 H GLN A 60 10.409 -8.746 -2.357 1.00 0.00 H new ATOM 0 HA GLN A 60 12.037 -10.589 -0.757 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.326 -8.755 -0.228 1.00 0.00 H new ATOM 0 HB3 GLN A 60 12.060 -7.607 -0.613 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.005 -7.868 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.815 -9.387 1.813 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.092 -9.121 3.543 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.211 -7.776 3.786 1.00 0.00 H new ATOM 881 N PRO A 61 10.108 -10.919 0.794 1.00 0.00 N ATOM 882 CA PRO A 61 8.914 -11.259 1.574 1.00 0.00 C ATOM 883 C PRO A 61 8.617 -10.230 2.658 1.00 0.00 C ATOM 884 O PRO A 61 9.481 -9.903 3.472 1.00 0.00 O ATOM 885 CB PRO A 61 9.273 -12.609 2.201 1.00 0.00 C ATOM 886 CG PRO A 61 10.762 -12.614 2.261 1.00 0.00 C ATOM 887 CD PRO A 61 11.228 -11.836 1.062 1.00 0.00 C ATOM 0 HA PRO A 61 8.017 -11.286 0.955 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.836 -12.713 3.194 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.898 -13.437 1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.117 -12.157 3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.150 -13.632 2.240 1.00 0.00 H new ATOM 0 HD2 PRO A 61 12.151 -11.294 1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.425 -12.489 0.212 1.00 0.00 H new ATOM 895 N VAL A 62 7.388 -9.722 2.665 1.00 0.00 N ATOM 896 CA VAL A 62 6.977 -8.730 3.652 1.00 0.00 C ATOM 897 C VAL A 62 6.723 -9.377 5.009 1.00 0.00 C ATOM 898 O VAL A 62 6.686 -8.698 6.034 1.00 0.00 O ATOM 899 CB VAL A 62 5.704 -7.988 3.203 1.00 0.00 C ATOM 900 CG1 VAL A 62 5.886 -7.408 1.809 1.00 0.00 C ATOM 901 CG2 VAL A 62 4.501 -8.918 3.250 1.00 0.00 C ATOM 0 H VAL A 62 6.660 -9.981 1.999 1.00 0.00 H new ATOM 0 HA VAL A 62 7.794 -8.014 3.742 1.00 0.00 H new ATOM 0 HB VAL A 62 5.524 -7.163 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.976 -6.888 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.720 -6.707 1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.092 -8.213 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.610 -8.377 2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.670 -9.765 2.585 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.360 -9.279 4.269 1.00 0.00 H new ATOM 911 N GLY A 63 6.551 -10.695 5.007 1.00 0.00 N ATOM 912 CA GLY A 63 6.304 -11.413 6.244 1.00 0.00 C ATOM 913 C GLY A 63 4.950 -11.087 6.843 1.00 0.00 C ATOM 914 O GLY A 63 3.935 -11.106 6.147 1.00 0.00 O ATOM 0 H GLY A 63 6.578 -11.279 4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.367 -12.485 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.085 -11.169 6.964 1.00 0.00 H new ATOM 918 N SER A 64 4.934 -10.788 8.138 1.00 0.00 N ATOM 919 CA SER A 64 3.693 -10.462 8.832 1.00 0.00 C ATOM 920 C SER A 64 3.827 -9.147 9.594 1.00 0.00 C ATOM 921 O SER A 64 2.933 -8.302 9.557 1.00 0.00 O ATOM 922 CB SER A 64 3.313 -11.587 9.796 1.00 0.00 C ATOM 923 OG SER A 64 3.243 -12.833 9.124 1.00 0.00 O ATOM 0 H SER A 64 5.766 -10.765 8.728 1.00 0.00 H new ATOM 0 HA SER A 64 2.906 -10.351 8.086 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.047 -11.645 10.600 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.351 -11.365 10.258 1.00 0.00 H new ATOM 0 HG SER A 64 3.000 -13.536 9.762 1.00 0.00 H new ATOM 929 N ASP A 65 4.950 -8.983 10.285 1.00 0.00 N ATOM 930 CA ASP A 65 5.202 -7.771 11.056 1.00 0.00 C ATOM 931 C ASP A 65 5.089 -6.532 10.174 1.00 0.00 C ATOM 932 O ASP A 65 5.936 -6.268 9.320 1.00 0.00 O ATOM 933 CB ASP A 65 6.589 -7.830 11.699 1.00 0.00 C ATOM 934 CG ASP A 65 6.676 -7.002 12.966 1.00 0.00 C ATOM 935 OD1 ASP A 65 5.891 -7.265 13.901 1.00 0.00 O ATOM 936 OD2 ASP A 65 7.527 -6.090 13.022 1.00 0.00 O ATOM 0 H ASP A 65 5.700 -9.673 10.327 1.00 0.00 H new ATOM 0 HA ASP A 65 4.448 -7.706 11.841 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.836 -8.867 11.928 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.333 -7.476 10.985 1.00 0.00 H new ATOM 941 N PRO A 66 4.017 -5.753 10.382 1.00 0.00 N ATOM 942 CA PRO A 66 3.767 -4.529 9.615 1.00 0.00 C ATOM 943 C PRO A 66 4.760 -3.421 9.951 1.00 0.00 C ATOM 944 O PRO A 66 5.286 -2.755 9.059 1.00 0.00 O ATOM 945 CB PRO A 66 2.353 -4.126 10.040 1.00 0.00 C ATOM 946 CG PRO A 66 2.179 -4.726 11.393 1.00 0.00 C ATOM 947 CD PRO A 66 2.967 -6.006 11.383 1.00 0.00 C ATOM 0 HA PRO A 66 3.874 -4.692 8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.242 -3.042 10.070 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.607 -4.503 9.341 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.541 -4.051 12.169 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.127 -4.917 11.603 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.391 -6.225 12.363 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.346 -6.858 11.107 1.00 0.00 H new ATOM 955 N ARG A 67 5.012 -3.230 11.242 1.00 0.00 N ATOM 956 CA ARG A 67 5.941 -2.202 11.695 1.00 0.00 C ATOM 957 C ARG A 67 7.317 -2.396 11.063 1.00 0.00 C ATOM 958 O ARG A 67 8.033 -1.429 10.804 1.00 0.00 O ATOM 959 CB ARG A 67 6.061 -2.229 13.220 1.00 0.00 C ATOM 960 CG ARG A 67 4.727 -2.111 13.938 1.00 0.00 C ATOM 961 CD ARG A 67 4.870 -2.381 15.427 1.00 0.00 C ATOM 962 NE ARG A 67 5.397 -1.224 16.145 1.00 0.00 N ATOM 963 CZ ARG A 67 5.240 -1.035 17.451 1.00 0.00 C ATOM 964 NH1 ARG A 67 4.575 -1.922 18.177 1.00 0.00 N ATOM 965 NH2 ARG A 67 5.750 0.044 18.032 1.00 0.00 N ATOM 0 H ARG A 67 4.586 -3.774 11.992 1.00 0.00 H new ATOM 0 HA ARG A 67 5.550 -1.233 11.385 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.545 -3.158 13.521 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.709 -1.413 13.539 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.318 -1.112 13.786 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.016 -2.816 13.506 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.899 -2.653 15.841 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.531 -3.234 15.579 1.00 0.00 H new ATOM 0 HE ARG A 67 5.914 -0.522 15.615 1.00 0.00 H new ATOM 0 HH11 ARG A 67 4.182 -2.752 17.734 1.00 0.00 H new ATOM 0 HH12 ARG A 67 4.456 -1.774 19.179 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.263 0.728 17.476 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.629 0.189 19.034 1.00 0.00 H new ATOM 979 N ALA A 68 7.678 -3.651 10.817 1.00 0.00 N ATOM 980 CA ALA A 68 8.966 -3.971 10.214 1.00 0.00 C ATOM 981 C ALA A 68 8.952 -3.698 8.714 1.00 0.00 C ATOM 982 O ALA A 68 9.973 -3.329 8.131 1.00 0.00 O ATOM 983 CB ALA A 68 9.329 -5.424 10.485 1.00 0.00 C ATOM 0 H ALA A 68 7.097 -4.463 11.026 1.00 0.00 H new ATOM 0 HA ALA A 68 9.721 -3.329 10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 68 10.293 -5.649 10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 68 9.389 -5.590 11.561 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.565 -6.075 10.060 1.00 0.00 H new ATOM 989 N LEU A 69 7.792 -3.882 8.094 1.00 0.00 N ATOM 990 CA LEU A 69 7.646 -3.655 6.660 1.00 0.00 C ATOM 991 C LEU A 69 7.809 -2.177 6.323 1.00 0.00 C ATOM 992 O LEU A 69 8.707 -1.798 5.572 1.00 0.00 O ATOM 993 CB LEU A 69 6.281 -4.152 6.182 1.00 0.00 C ATOM 994 CG LEU A 69 5.690 -3.429 4.971 1.00 0.00 C ATOM 995 CD1 LEU A 69 6.424 -3.829 3.700 1.00 0.00 C ATOM 996 CD2 LEU A 69 4.203 -3.726 4.846 1.00 0.00 C ATOM 0 H LEU A 69 6.939 -4.188 8.561 1.00 0.00 H new ATOM 0 HA LEU A 69 8.429 -4.213 6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.366 -5.212 5.941 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.576 -4.069 7.009 1.00 0.00 H new ATOM 0 HG LEU A 69 5.815 -2.356 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.990 -3.305 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.478 -3.565 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.331 -4.905 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.799 -3.203 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.055 -4.799 4.724 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.688 -3.389 5.745 1.00 0.00 H new ATOM 1008 N GLN A 70 6.936 -1.347 6.886 1.00 0.00 N ATOM 1009 CA GLN A 70 6.985 0.090 6.645 1.00 0.00 C ATOM 1010 C GLN A 70 8.417 0.608 6.727 1.00 0.00 C ATOM 1011 O GLN A 70 8.757 1.618 6.113 1.00 0.00 O ATOM 1012 CB GLN A 70 6.105 0.827 7.656 1.00 0.00 C ATOM 1013 CG GLN A 70 4.655 0.369 7.650 1.00 0.00 C ATOM 1014 CD GLN A 70 3.966 0.593 8.981 1.00 0.00 C ATOM 1015 OE1 GLN A 70 4.613 0.634 10.029 1.00 0.00 O ATOM 1016 NE2 GLN A 70 2.647 0.739 8.948 1.00 0.00 N ATOM 0 H GLN A 70 6.187 -1.645 7.511 1.00 0.00 H new ATOM 0 HA GLN A 70 6.608 0.278 5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 70 6.518 0.686 8.655 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.140 1.896 7.445 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.113 0.903 6.870 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.614 -0.691 7.398 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.151 0.698 8.057 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.129 0.892 9.813 1.00 0.00 H new ATOM 1025 N GLU A 71 9.251 -0.092 7.490 1.00 0.00 N ATOM 1026 CA GLU A 71 10.647 0.298 7.652 1.00 0.00 C ATOM 1027 C GLU A 71 11.481 -0.153 6.457 1.00 0.00 C ATOM 1028 O GLU A 71 12.418 0.532 6.046 1.00 0.00 O ATOM 1029 CB GLU A 71 11.219 -0.296 8.941 1.00 0.00 C ATOM 1030 CG GLU A 71 12.612 0.210 9.278 1.00 0.00 C ATOM 1031 CD GLU A 71 13.654 -0.237 8.271 1.00 0.00 C ATOM 1032 OE1 GLU A 71 13.549 -1.377 7.773 1.00 0.00 O ATOM 1033 OE2 GLU A 71 14.575 0.555 7.981 1.00 0.00 O ATOM 0 H GLU A 71 8.985 -0.931 8.005 1.00 0.00 H new ATOM 0 HA GLU A 71 10.689 1.386 7.712 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.547 -0.064 9.768 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.248 -1.382 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.598 1.299 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.894 -0.145 10.269 1.00 0.00 H new ATOM 1040 N LEU A 72 11.133 -1.310 5.904 1.00 0.00 N ATOM 1041 CA LEU A 72 11.849 -1.854 4.755 1.00 0.00 C ATOM 1042 C LEU A 72 11.818 -0.880 3.582 1.00 0.00 C ATOM 1043 O LEU A 72 12.815 -0.704 2.881 1.00 0.00 O ATOM 1044 CB LEU A 72 11.239 -3.193 4.337 1.00 0.00 C ATOM 1045 CG LEU A 72 10.118 -3.126 3.300 1.00 0.00 C ATOM 1046 CD1 LEU A 72 10.684 -2.816 1.922 1.00 0.00 C ATOM 1047 CD2 LEU A 72 9.334 -4.430 3.276 1.00 0.00 C ATOM 0 H LEU A 72 10.360 -1.889 6.232 1.00 0.00 H new ATOM 0 HA LEU A 72 12.888 -2.009 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 72 12.035 -3.824 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.853 -3.687 5.228 1.00 0.00 H new ATOM 0 HG LEU A 72 9.437 -2.322 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.872 -2.772 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 72 11.200 -1.856 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.387 -3.598 1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.540 -4.364 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.003 -5.252 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.897 -4.610 4.258 1.00 0.00 H new ATOM 1059 N LEU A 73 10.668 -0.248 3.375 1.00 0.00 N ATOM 1060 CA LEU A 73 10.507 0.711 2.288 1.00 0.00 C ATOM 1061 C LEU A 73 11.385 1.939 2.510 1.00 0.00 C ATOM 1062 O LEU A 73 12.097 2.376 1.607 1.00 0.00 O ATOM 1063 CB LEU A 73 9.041 1.133 2.167 1.00 0.00 C ATOM 1064 CG LEU A 73 8.089 0.090 1.582 1.00 0.00 C ATOM 1065 CD1 LEU A 73 6.690 0.266 2.151 1.00 0.00 C ATOM 1066 CD2 LEU A 73 8.064 0.182 0.063 1.00 0.00 C ATOM 0 H LEU A 73 9.833 -0.382 3.946 1.00 0.00 H new ATOM 0 HA LEU A 73 10.818 0.228 1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.680 1.410 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.991 2.029 1.548 1.00 0.00 H new ATOM 0 HG LEU A 73 8.451 -0.900 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.026 -0.485 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.720 0.149 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.319 1.261 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.381 -0.568 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.727 1.175 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.066 0.005 -0.329 1.00 0.00 H new ATOM 1078 N ARG A 74 11.329 2.488 3.719 1.00 0.00 N ATOM 1079 CA ARG A 74 12.120 3.665 4.060 1.00 0.00 C ATOM 1080 C ARG A 74 13.496 3.604 3.404 1.00 0.00 C ATOM 1081 O ARG A 74 13.858 4.475 2.615 1.00 0.00 O ATOM 1082 CB ARG A 74 12.271 3.781 5.578 1.00 0.00 C ATOM 1083 CG ARG A 74 12.819 5.123 6.034 1.00 0.00 C ATOM 1084 CD ARG A 74 12.789 5.251 7.549 1.00 0.00 C ATOM 1085 NE ARG A 74 12.878 6.643 7.983 1.00 0.00 N ATOM 1086 CZ ARG A 74 12.904 7.016 9.257 1.00 0.00 C ATOM 1087 NH1 ARG A 74 12.848 6.104 10.219 1.00 0.00 N ATOM 1088 NH2 ARG A 74 12.985 8.302 9.573 1.00 0.00 N ATOM 0 H ARG A 74 10.745 2.137 4.478 1.00 0.00 H new ATOM 0 HA ARG A 74 11.597 4.545 3.685 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.300 3.617 6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.932 2.989 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.843 5.239 5.678 1.00 0.00 H new ATOM 0 HG3 ARG A 74 12.233 5.927 5.588 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.869 4.810 7.932 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.616 4.684 7.977 1.00 0.00 H new ATOM 0 HE ARG A 74 12.923 7.369 7.268 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.785 5.114 9.980 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.868 6.393 11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.027 9.006 8.837 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.005 8.586 10.552 1.00 0.00 H new ATOM 1102 N ASN A 75 14.259 2.568 3.738 1.00 0.00 N ATOM 1103 CA ASN A 75 15.596 2.393 3.182 1.00 0.00 C ATOM 1104 C ASN A 75 15.542 2.264 1.663 1.00 0.00 C ATOM 1105 O ASN A 75 16.345 2.864 0.950 1.00 0.00 O ATOM 1106 CB ASN A 75 16.265 1.157 3.787 1.00 0.00 C ATOM 1107 CG ASN A 75 16.884 1.440 5.142 1.00 0.00 C ATOM 1108 OD1 ASN A 75 18.107 1.449 5.289 1.00 0.00 O ATOM 1109 ND2 ASN A 75 16.041 1.672 6.141 1.00 0.00 N ATOM 0 H ASN A 75 13.974 1.837 4.390 1.00 0.00 H new ATOM 0 HA ASN A 75 16.184 3.276 3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.528 0.360 3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 75 17.036 0.795 3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 75 16.399 1.868 7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.035 1.655 5.974 1.00 0.00 H new ATOM 1116 N ALA A 76 14.588 1.476 1.176 1.00 0.00 N ATOM 1117 CA ALA A 76 14.427 1.270 -0.258 1.00 0.00 C ATOM 1118 C ALA A 76 14.331 2.601 -0.997 1.00 0.00 C ATOM 1119 O ALA A 76 13.353 3.334 -0.850 1.00 0.00 O ATOM 1120 CB ALA A 76 13.195 0.421 -0.534 1.00 0.00 C ATOM 0 H ALA A 76 13.916 0.971 1.753 1.00 0.00 H new ATOM 0 HA ALA A 76 15.308 0.743 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 76 13.087 0.275 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.304 -0.547 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.311 0.926 -0.146 1.00 0.00 H new ATOM 1126 N SER A 77 15.352 2.907 -1.791 1.00 0.00 N ATOM 1127 CA SER A 77 15.385 4.152 -2.549 1.00 0.00 C ATOM 1128 C SER A 77 15.222 3.883 -4.042 1.00 0.00 C ATOM 1129 O SER A 77 15.147 2.733 -4.472 1.00 0.00 O ATOM 1130 CB SER A 77 16.697 4.895 -2.293 1.00 0.00 C ATOM 1131 OG SER A 77 16.586 6.263 -2.648 1.00 0.00 O ATOM 0 H SER A 77 16.168 2.310 -1.926 1.00 0.00 H new ATOM 0 HA SER A 77 14.554 4.773 -2.217 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.967 4.810 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.499 4.431 -2.867 1.00 0.00 H new ATOM 0 HG SER A 77 17.481 6.640 -2.782 1.00 0.00 H new ATOM 1137 N GLY A 78 15.168 4.954 -4.828 1.00 0.00 N ATOM 1138 CA GLY A 78 15.015 4.814 -6.264 1.00 0.00 C ATOM 1139 C GLY A 78 13.617 4.382 -6.658 1.00 0.00 C ATOM 1140 O GLY A 78 12.631 4.851 -6.090 1.00 0.00 O ATOM 0 H GLY A 78 15.228 5.916 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.248 5.764 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 78 15.735 4.084 -6.634 1.00 0.00 H new ATOM 1144 N SER A 79 13.529 3.485 -7.635 1.00 0.00 N ATOM 1145 CA SER A 79 12.241 2.993 -8.109 1.00 0.00 C ATOM 1146 C SER A 79 11.811 1.755 -7.327 1.00 0.00 C ATOM 1147 O SER A 79 12.313 0.655 -7.557 1.00 0.00 O ATOM 1148 CB SER A 79 12.313 2.667 -9.602 1.00 0.00 C ATOM 1149 OG SER A 79 11.033 2.340 -10.115 1.00 0.00 O ATOM 0 H SER A 79 14.335 3.084 -8.114 1.00 0.00 H new ATOM 0 HA SER A 79 11.500 3.777 -7.951 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.718 3.521 -10.145 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.997 1.833 -9.763 1.00 0.00 H new ATOM 0 HG SER A 79 11.106 2.137 -11.071 1.00 0.00 H new ATOM 1155 N VAL A 80 10.877 1.944 -6.400 1.00 0.00 N ATOM 1156 CA VAL A 80 10.378 0.844 -5.583 1.00 0.00 C ATOM 1157 C VAL A 80 9.176 0.174 -6.240 1.00 0.00 C ATOM 1158 O VAL A 80 8.298 0.846 -6.783 1.00 0.00 O ATOM 1159 CB VAL A 80 9.977 1.326 -4.176 1.00 0.00 C ATOM 1160 CG1 VAL A 80 9.542 0.152 -3.313 1.00 0.00 C ATOM 1161 CG2 VAL A 80 11.127 2.080 -3.525 1.00 0.00 C ATOM 0 H VAL A 80 10.451 2.848 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 80 11.190 0.122 -5.494 1.00 0.00 H new ATOM 0 HB VAL A 80 9.132 2.008 -4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.263 0.512 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.687 -0.342 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.365 -0.557 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.827 2.414 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.992 1.422 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.387 2.945 -4.135 1.00 0.00 H new ATOM 1171 N ILE A 81 9.142 -1.153 -6.185 1.00 0.00 N ATOM 1172 CA ILE A 81 8.047 -1.914 -6.773 1.00 0.00 C ATOM 1173 C ILE A 81 7.213 -2.600 -5.696 1.00 0.00 C ATOM 1174 O ILE A 81 7.683 -3.516 -5.021 1.00 0.00 O ATOM 1175 CB ILE A 81 8.566 -2.977 -7.759 1.00 0.00 C ATOM 1176 CG1 ILE A 81 9.090 -2.311 -9.032 1.00 0.00 C ATOM 1177 CG2 ILE A 81 7.465 -3.973 -8.091 1.00 0.00 C ATOM 1178 CD1 ILE A 81 10.080 -1.198 -8.768 1.00 0.00 C ATOM 0 H ILE A 81 9.860 -1.723 -5.739 1.00 0.00 H new ATOM 0 HA ILE A 81 7.423 -1.202 -7.314 1.00 0.00 H new ATOM 0 HB ILE A 81 9.388 -3.516 -7.289 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.564 -3.066 -9.659 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.248 -1.911 -9.596 1.00 0.00 H new ATOM 0 HG21 ILE A 81 7.847 -4.718 -8.789 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.134 -4.467 -7.178 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.624 -3.448 -8.545 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.409 -0.772 -9.716 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.604 -0.423 -8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.941 -1.596 -8.231 1.00 0.00 H new ATOM 1190 N LEU A 82 5.973 -2.151 -5.541 1.00 0.00 N ATOM 1191 CA LEU A 82 5.071 -2.722 -4.546 1.00 0.00 C ATOM 1192 C LEU A 82 3.978 -3.551 -5.214 1.00 0.00 C ATOM 1193 O LEU A 82 3.139 -3.021 -5.942 1.00 0.00 O ATOM 1194 CB LEU A 82 4.441 -1.612 -3.703 1.00 0.00 C ATOM 1195 CG LEU A 82 5.351 -0.963 -2.660 1.00 0.00 C ATOM 1196 CD1 LEU A 82 4.762 0.355 -2.183 1.00 0.00 C ATOM 1197 CD2 LEU A 82 5.574 -1.905 -1.486 1.00 0.00 C ATOM 0 H LEU A 82 5.569 -1.393 -6.091 1.00 0.00 H new ATOM 0 HA LEU A 82 5.653 -3.377 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.079 -0.834 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.570 -2.022 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 82 6.316 -0.759 -3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.424 0.802 -1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.655 1.033 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.784 0.176 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.224 -1.426 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.616 -2.141 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.042 -2.824 -1.840 1.00 0.00 H new ATOM 1209 N LYS A 83 3.994 -4.855 -4.961 1.00 0.00 N ATOM 1210 CA LYS A 83 3.003 -5.759 -5.534 1.00 0.00 C ATOM 1211 C LYS A 83 1.761 -5.833 -4.653 1.00 0.00 C ATOM 1212 O LYS A 83 1.802 -6.378 -3.549 1.00 0.00 O ATOM 1213 CB LYS A 83 3.600 -7.157 -5.711 1.00 0.00 C ATOM 1214 CG LYS A 83 2.933 -7.968 -6.808 1.00 0.00 C ATOM 1215 CD LYS A 83 3.774 -9.171 -7.202 1.00 0.00 C ATOM 1216 CE LYS A 83 3.369 -9.711 -8.565 1.00 0.00 C ATOM 1217 NZ LYS A 83 4.473 -10.476 -9.208 1.00 0.00 N ATOM 0 H LYS A 83 4.683 -5.310 -4.362 1.00 0.00 H new ATOM 0 HA LYS A 83 2.712 -5.369 -6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.663 -7.064 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.519 -7.700 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.953 -8.303 -6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.769 -7.336 -7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.827 -8.890 -7.219 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.665 -9.954 -6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.496 -10.355 -8.456 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.076 -8.884 -9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.468 -10.297 -10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.384 -10.173 -8.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.339 -11.492 -9.033 1.00 0.00 H new ATOM 1231 N ILE A 84 0.657 -5.283 -5.147 1.00 0.00 N ATOM 1232 CA ILE A 84 -0.598 -5.290 -4.405 1.00 0.00 C ATOM 1233 C ILE A 84 -1.572 -6.313 -4.981 1.00 0.00 C ATOM 1234 O ILE A 84 -1.427 -6.749 -6.124 1.00 0.00 O ATOM 1235 CB ILE A 84 -1.265 -3.902 -4.414 1.00 0.00 C ATOM 1236 CG1 ILE A 84 -0.221 -2.809 -4.172 1.00 0.00 C ATOM 1237 CG2 ILE A 84 -2.363 -3.835 -3.363 1.00 0.00 C ATOM 1238 CD1 ILE A 84 0.178 -2.666 -2.720 1.00 0.00 C ATOM 0 H ILE A 84 0.606 -4.827 -6.058 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.355 -5.561 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.716 -3.738 -5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.667 -3.028 -4.765 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.614 -1.857 -4.528 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.825 -2.848 -3.382 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.117 -4.593 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.935 -4.017 -2.377 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.920 -1.874 -2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.700 -2.416 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.602 -3.605 -2.365 1.00 0.00 H new ATOM 1250 N LEU A 85 -2.564 -6.691 -4.183 1.00 0.00 N ATOM 1251 CA LEU A 85 -3.565 -7.661 -4.614 1.00 0.00 C ATOM 1252 C LEU A 85 -4.906 -7.398 -3.936 1.00 0.00 C ATOM 1253 O LEU A 85 -4.962 -6.808 -2.858 1.00 0.00 O ATOM 1254 CB LEU A 85 -3.093 -9.082 -4.301 1.00 0.00 C ATOM 1255 CG LEU A 85 -2.311 -9.789 -5.409 1.00 0.00 C ATOM 1256 CD1 LEU A 85 -0.823 -9.506 -5.277 1.00 0.00 C ATOM 1257 CD2 LEU A 85 -2.576 -11.288 -5.375 1.00 0.00 C ATOM 0 H LEU A 85 -2.697 -6.341 -3.234 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.697 -7.556 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.469 -9.048 -3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.966 -9.688 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.649 -9.402 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.283 -10.017 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.649 -8.433 -5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.469 -9.865 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.012 -11.775 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.266 -11.691 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.640 -11.473 -5.520 1.00 0.00 H new ATOM 1269 N SER A 86 -5.983 -7.842 -4.576 1.00 0.00 N ATOM 1270 CA SER A 86 -7.325 -7.653 -4.036 1.00 0.00 C ATOM 1271 C SER A 86 -7.609 -8.656 -2.923 1.00 0.00 C ATOM 1272 O SER A 86 -6.997 -9.722 -2.862 1.00 0.00 O ATOM 1273 CB SER A 86 -8.368 -7.795 -5.146 1.00 0.00 C ATOM 1274 OG SER A 86 -9.575 -7.138 -4.799 1.00 0.00 O ATOM 0 H SER A 86 -5.953 -8.335 -5.469 1.00 0.00 H new ATOM 0 HA SER A 86 -7.384 -6.648 -3.618 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.976 -7.377 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.565 -8.851 -5.331 1.00 0.00 H new ATOM 0 HG SER A 86 -10.225 -7.242 -5.525 1.00 0.00 H new