USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 691 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= 0.428 K(o=0.77,f=-3.8!) USER MOD Set 1.2: A 57 ASN : amide:sc= 0.34 K(o=0.77,f=-3.8!) USER MOD Set 2.1: A 35 TYR OH : rot 50:sc= -1.79 USER MOD Set 2.2: A 95 HEM CMA :methyl -30:sc=-6.7e-05 (180deg=-0.589) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 0:sc= -2.19 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0546 USER MOD Single : A 13 GLN : amide:sc= -0.312 K(o=-0.31,f=-2.6!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -4.65! C(o=-4.6!,f=-5.5!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 31:sc= 1.24 USER MOD Single : A 26 HIS : no HE2:sc= -0.523 X(o=-0.52,f=-0.26) USER MOD Single : A 27 HIS : no HE2:sc= -5.42! C(o=-5.4!,f=-5.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 100:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ 138:sc= 0.0771 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 46:sc= 0.653 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -60:sc= 0.597 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0387 USER MOD Single : A 80 HIS : no HD1:sc= -0.484 X(o=-0.48,f=-0.22) USER MOD Single : A 85 SER OG : rot -67:sc= -2.02! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMB :methyl 150:sc= -2.06! (180deg=-2.06!) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -3.11! (180deg=-5.98!) USER MOD Single : A 95 HEM CMD :methyl -30:sc= -8.06! (180deg=-13.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 2.744 -0.337 -7.429 1.00 0.00 N ATOM 2 CA VAL A 4 3.417 0.854 -7.920 1.00 0.00 C ATOM 3 C VAL A 4 2.395 1.981 -8.083 1.00 0.00 C ATOM 4 O VAL A 4 1.190 1.750 -7.987 1.00 0.00 O ATOM 5 CB VAL A 4 4.166 0.536 -9.215 1.00 0.00 C ATOM 6 CG1 VAL A 4 3.270 0.757 -10.436 1.00 0.00 C ATOM 7 CG2 VAL A 4 5.451 1.359 -9.322 1.00 0.00 C ATOM 0 HA VAL A 4 4.164 1.193 -7.203 1.00 0.00 H new ATOM 0 HB VAL A 4 4.444 -0.518 -9.190 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.827 0.524 -11.343 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.397 0.108 -10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 4 2.947 1.797 -10.466 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.964 1.113 -10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.205 2.421 -9.313 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.101 1.130 -8.478 1.00 0.00 H new ATOM 17 N LYS A 5 2.912 3.176 -8.327 1.00 0.00 N ATOM 18 CA LYS A 5 2.060 4.340 -8.504 1.00 0.00 C ATOM 19 C LYS A 5 2.186 4.845 -9.942 1.00 0.00 C ATOM 20 O LYS A 5 3.276 5.211 -10.381 1.00 0.00 O ATOM 21 CB LYS A 5 2.376 5.400 -7.449 1.00 0.00 C ATOM 22 CG LYS A 5 1.150 6.269 -7.160 1.00 0.00 C ATOM 23 CD LYS A 5 0.020 5.438 -6.549 1.00 0.00 C ATOM 24 CE LYS A 5 -1.007 5.044 -7.613 1.00 0.00 C ATOM 25 NZ LYS A 5 -2.230 5.868 -7.483 1.00 0.00 N ATOM 0 H LYS A 5 3.911 3.364 -8.406 1.00 0.00 H new ATOM 0 HA LYS A 5 1.014 4.074 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.708 4.916 -6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.198 6.028 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.423 7.074 -6.478 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.805 6.736 -8.083 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.432 4.541 -6.086 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -0.469 6.008 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.578 5.174 -8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.260 3.989 -7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.916 5.588 -8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.647 5.724 -6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.987 6.872 -7.604 1.00 0.00 H new ATOM 39 N TYR A 6 1.058 4.850 -10.636 1.00 0.00 N ATOM 40 CA TYR A 6 1.029 5.306 -12.016 1.00 0.00 C ATOM 41 C TYR A 6 0.497 6.737 -12.110 1.00 0.00 C ATOM 42 O TYR A 6 -0.672 6.989 -11.821 1.00 0.00 O ATOM 43 CB TYR A 6 0.069 4.367 -12.749 1.00 0.00 C ATOM 44 CG TYR A 6 0.503 2.901 -12.741 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.759 2.551 -13.193 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.361 1.927 -12.281 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.168 1.170 -13.186 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.048 0.547 -12.273 1.00 0.00 C ATOM 49 CZ TYR A 6 1.291 0.236 -12.725 1.00 0.00 C ATOM 50 OH TYR A 6 1.678 -1.068 -12.718 1.00 0.00 O ATOM 0 H TYR A 6 0.156 4.545 -10.269 1.00 0.00 H new ATOM 0 HA TYR A 6 2.031 5.298 -12.445 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.918 4.445 -12.293 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -0.030 4.700 -13.782 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.435 3.313 -13.552 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.344 2.201 -11.927 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.147 0.882 -13.538 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.618 -0.224 -11.916 1.00 0.00 H new ATOM 0 HH TYR A 6 0.953 -1.623 -12.362 1.00 0.00 H new ATOM 60 N TYR A 7 1.382 7.637 -12.514 1.00 0.00 N ATOM 61 CA TYR A 7 1.015 9.037 -12.650 1.00 0.00 C ATOM 62 C TYR A 7 0.797 9.406 -14.119 1.00 0.00 C ATOM 63 O TYR A 7 1.432 8.838 -15.006 1.00 0.00 O ATOM 64 CB TYR A 7 2.201 9.837 -12.106 1.00 0.00 C ATOM 65 CG TYR A 7 2.768 9.295 -10.792 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.970 9.241 -9.668 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.076 8.860 -10.732 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.503 8.731 -8.430 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.609 8.350 -9.496 1.00 0.00 C ATOM 70 CZ TYR A 7 3.796 8.311 -8.406 1.00 0.00 C ATOM 71 OH TYR A 7 4.300 7.829 -7.237 1.00 0.00 O ATOM 0 H TYR A 7 2.351 7.425 -12.751 1.00 0.00 H new ATOM 0 HA TYR A 7 0.089 9.246 -12.115 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.993 9.847 -12.855 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.890 10.871 -11.957 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.946 9.581 -9.716 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.700 8.902 -11.612 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.890 8.684 -7.542 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.631 8.006 -9.435 1.00 0.00 H new ATOM 0 HH TYR A 7 3.608 7.861 -6.544 1.00 0.00 H new ATOM 81 N THR A 8 -0.103 10.356 -14.329 1.00 0.00 N ATOM 82 CA THR A 8 -0.413 10.808 -15.675 1.00 0.00 C ATOM 83 C THR A 8 0.695 11.725 -16.197 1.00 0.00 C ATOM 84 O THR A 8 1.301 12.472 -15.430 1.00 0.00 O ATOM 85 CB THR A 8 -1.790 11.474 -15.644 1.00 0.00 C ATOM 86 OG1 THR A 8 -2.481 10.796 -14.598 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.616 11.168 -16.894 1.00 0.00 C ATOM 0 H THR A 8 -0.627 10.825 -13.590 1.00 0.00 H new ATOM 0 HA THR A 8 -0.456 9.973 -16.374 1.00 0.00 H new ATOM 0 HB THR A 8 -1.669 12.553 -15.543 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.384 11.167 -14.508 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.584 11.664 -16.821 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.088 11.530 -17.776 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.766 10.092 -16.977 1.00 0.00 H new ATOM 95 N LEU A 9 0.923 11.640 -17.500 1.00 0.00 N ATOM 96 CA LEU A 9 1.947 12.454 -18.134 1.00 0.00 C ATOM 97 C LEU A 9 1.712 13.925 -17.786 1.00 0.00 C ATOM 98 O LEU A 9 2.616 14.748 -17.911 1.00 0.00 O ATOM 99 CB LEU A 9 1.994 12.178 -19.638 1.00 0.00 C ATOM 100 CG LEU A 9 1.094 13.055 -20.510 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.385 12.834 -21.996 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.381 12.830 -20.175 1.00 0.00 C ATOM 0 H LEU A 9 0.417 11.021 -18.133 1.00 0.00 H new ATOM 0 HA LEU A 9 2.934 12.190 -17.753 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.023 12.298 -19.977 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.723 11.135 -19.804 1.00 0.00 H new ATOM 0 HG LEU A 9 1.318 14.099 -20.290 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.731 13.470 -22.593 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.425 13.085 -22.204 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.206 11.789 -22.250 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.999 13.466 -20.809 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.638 11.785 -20.348 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.559 13.079 -19.129 1.00 0.00 H new ATOM 114 N GLU A 10 0.491 14.210 -17.356 1.00 0.00 N ATOM 115 CA GLU A 10 0.125 15.567 -16.989 1.00 0.00 C ATOM 116 C GLU A 10 0.900 16.009 -15.746 1.00 0.00 C ATOM 117 O GLU A 10 1.203 17.189 -15.585 1.00 0.00 O ATOM 118 CB GLU A 10 -1.384 15.687 -16.766 1.00 0.00 C ATOM 119 CG GLU A 10 -2.000 16.709 -17.724 1.00 0.00 C ATOM 120 CD GLU A 10 -1.920 18.123 -17.145 1.00 0.00 C ATOM 121 OE1 GLU A 10 -0.779 18.613 -17.002 1.00 0.00 O ATOM 122 OE2 GLU A 10 -3.001 18.680 -16.857 1.00 0.00 O ATOM 0 H GLU A 10 -0.257 13.524 -17.254 1.00 0.00 H new ATOM 0 HA GLU A 10 0.391 16.229 -17.813 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.855 14.715 -16.913 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.581 15.984 -15.736 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.480 16.675 -18.681 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.041 16.450 -17.917 1.00 0.00 H new ATOM 129 N GLU A 11 1.200 15.035 -14.898 1.00 0.00 N ATOM 130 CA GLU A 11 1.933 15.308 -13.674 1.00 0.00 C ATOM 131 C GLU A 11 3.316 15.874 -14.000 1.00 0.00 C ATOM 132 O GLU A 11 3.549 17.074 -13.859 1.00 0.00 O ATOM 133 CB GLU A 11 2.045 14.050 -12.810 1.00 0.00 C ATOM 134 CG GLU A 11 1.444 14.284 -11.422 1.00 0.00 C ATOM 135 CD GLU A 11 0.171 13.457 -11.230 1.00 0.00 C ATOM 136 OE1 GLU A 11 0.315 12.236 -11.005 1.00 0.00 O ATOM 137 OE2 GLU A 11 -0.919 14.065 -11.314 1.00 0.00 O ATOM 0 H GLU A 11 0.948 14.056 -15.035 1.00 0.00 H new ATOM 0 HA GLU A 11 1.382 16.054 -13.101 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.531 13.222 -13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.092 13.763 -12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.173 14.019 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.217 15.342 -11.293 1.00 0.00 H new ATOM 144 N ILE A 12 4.199 14.984 -14.429 1.00 0.00 N ATOM 145 CA ILE A 12 5.554 15.380 -14.776 1.00 0.00 C ATOM 146 C ILE A 12 5.537 16.808 -15.325 1.00 0.00 C ATOM 147 O ILE A 12 6.376 17.629 -14.955 1.00 0.00 O ATOM 148 CB ILE A 12 6.182 14.362 -15.728 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.106 13.572 -16.476 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.153 13.442 -14.984 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.830 12.234 -15.788 1.00 0.00 C ATOM 0 H ILE A 12 4.003 13.990 -14.544 1.00 0.00 H new ATOM 0 HA ILE A 12 6.189 15.386 -13.890 1.00 0.00 H new ATOM 0 HB ILE A 12 6.760 14.906 -16.475 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.187 14.157 -16.523 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.426 13.398 -17.503 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.586 12.727 -15.684 1.00 0.00 H new ATOM 0 HG22 ILE A 12 7.948 14.038 -14.536 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.618 12.904 -14.201 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.062 11.693 -16.340 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.745 11.642 -15.764 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.487 12.413 -14.769 1.00 0.00 H new ATOM 163 N GLN A 13 4.576 17.060 -16.200 1.00 0.00 N ATOM 164 CA GLN A 13 4.439 18.374 -16.804 1.00 0.00 C ATOM 165 C GLN A 13 4.328 19.448 -15.720 1.00 0.00 C ATOM 166 O GLN A 13 5.272 20.205 -15.492 1.00 0.00 O ATOM 167 CB GLN A 13 3.235 18.422 -17.748 1.00 0.00 C ATOM 168 CG GLN A 13 3.482 17.570 -18.995 1.00 0.00 C ATOM 169 CD GLN A 13 3.450 18.429 -20.261 1.00 0.00 C ATOM 170 OE1 GLN A 13 3.475 19.648 -20.216 1.00 0.00 O ATOM 171 NE2 GLN A 13 3.392 17.727 -21.389 1.00 0.00 N ATOM 0 H GLN A 13 3.884 16.376 -16.506 1.00 0.00 H new ATOM 0 HA GLN A 13 5.332 18.574 -17.397 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.346 18.064 -17.228 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.039 19.453 -18.041 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.448 17.072 -18.914 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.725 16.789 -19.062 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.374 16.708 -21.355 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.366 18.208 -22.288 1.00 0.00 H new ATOM 180 N LYS A 14 3.168 19.482 -15.082 1.00 0.00 N ATOM 181 CA LYS A 14 2.923 20.451 -14.027 1.00 0.00 C ATOM 182 C LYS A 14 4.047 20.370 -12.993 1.00 0.00 C ATOM 183 O LYS A 14 4.286 21.323 -12.254 1.00 0.00 O ATOM 184 CB LYS A 14 1.526 20.255 -13.434 1.00 0.00 C ATOM 185 CG LYS A 14 1.350 18.830 -12.904 1.00 0.00 C ATOM 186 CD LYS A 14 -0.104 18.568 -12.506 1.00 0.00 C ATOM 187 CE LYS A 14 -0.997 18.449 -13.742 1.00 0.00 C ATOM 188 NZ LYS A 14 -2.142 19.383 -13.646 1.00 0.00 N ATOM 0 H LYS A 14 2.387 18.855 -15.275 1.00 0.00 H new ATOM 0 HA LYS A 14 2.934 21.464 -14.430 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.366 20.969 -12.626 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.772 20.460 -14.194 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.656 18.114 -13.667 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.000 18.676 -12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.165 17.651 -11.919 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.462 19.378 -11.870 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.417 18.666 -14.639 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.361 17.426 -13.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.738 19.289 -14.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.704 19.158 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.789 20.359 -13.577 1.00 0.00 H new ATOM 202 N HIS A 15 4.707 19.220 -12.973 1.00 0.00 N ATOM 203 CA HIS A 15 5.800 19.002 -12.041 1.00 0.00 C ATOM 204 C HIS A 15 7.133 19.284 -12.738 1.00 0.00 C ATOM 205 O HIS A 15 8.077 18.505 -12.619 1.00 0.00 O ATOM 206 CB HIS A 15 5.731 17.596 -11.442 1.00 0.00 C ATOM 207 CG HIS A 15 4.464 17.320 -10.669 1.00 0.00 C ATOM 208 ND1 HIS A 15 4.007 18.148 -9.658 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.561 16.301 -10.770 1.00 0.00 C ATOM 210 CE1 HIS A 15 2.881 17.641 -9.178 1.00 0.00 C ATOM 211 NE2 HIS A 15 2.606 16.496 -9.868 1.00 0.00 N ATOM 0 H HIS A 15 4.506 18.431 -13.587 1.00 0.00 H new ATOM 0 HA HIS A 15 5.713 19.695 -11.205 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.821 16.865 -12.245 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.586 17.451 -10.782 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.460 19.003 -9.337 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.614 15.476 -11.465 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.285 18.060 -8.381 1.00 0.00 H new ATOM 219 N LYS A 16 7.166 20.400 -13.451 1.00 0.00 N ATOM 220 CA LYS A 16 8.368 20.795 -14.167 1.00 0.00 C ATOM 221 C LYS A 16 8.981 22.021 -13.489 1.00 0.00 C ATOM 222 O LYS A 16 9.703 22.789 -14.123 1.00 0.00 O ATOM 223 CB LYS A 16 8.062 21.001 -15.653 1.00 0.00 C ATOM 224 CG LYS A 16 9.350 21.034 -16.478 1.00 0.00 C ATOM 225 CD LYS A 16 9.645 22.450 -16.977 1.00 0.00 C ATOM 226 CE LYS A 16 10.296 22.418 -18.361 1.00 0.00 C ATOM 227 NZ LYS A 16 10.859 23.745 -18.699 1.00 0.00 N ATOM 0 H LYS A 16 6.380 21.043 -13.549 1.00 0.00 H new ATOM 0 HA LYS A 16 9.115 20.002 -14.126 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.418 20.198 -16.010 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.514 21.934 -15.789 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.183 20.677 -15.873 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.260 20.357 -17.327 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.720 23.025 -17.019 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.304 22.958 -16.273 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.085 21.666 -18.381 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.559 22.127 -19.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.297 23.706 -19.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.099 24.455 -18.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.577 24.007 -17.994 1.00 0.00 H new ATOM 241 N ASP A 17 8.671 22.168 -12.210 1.00 0.00 N ATOM 242 CA ASP A 17 9.182 23.288 -11.439 1.00 0.00 C ATOM 243 C ASP A 17 10.024 22.759 -10.275 1.00 0.00 C ATOM 244 O ASP A 17 10.017 21.561 -9.994 1.00 0.00 O ATOM 245 CB ASP A 17 8.040 24.123 -10.856 1.00 0.00 C ATOM 246 CG ASP A 17 7.774 25.446 -11.577 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.667 25.863 -12.346 1.00 0.00 O ATOM 248 OD2 ASP A 17 6.684 26.010 -11.342 1.00 0.00 O ATOM 0 H ASP A 17 8.072 21.529 -11.687 1.00 0.00 H new ATOM 0 HA ASP A 17 9.780 23.911 -12.105 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.128 23.527 -10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.262 24.335 -9.810 1.00 0.00 H new ATOM 253 N SER A 18 10.726 23.678 -9.629 1.00 0.00 N ATOM 254 CA SER A 18 11.570 23.319 -8.502 1.00 0.00 C ATOM 255 C SER A 18 10.731 22.648 -7.413 1.00 0.00 C ATOM 256 O SER A 18 11.128 21.623 -6.861 1.00 0.00 O ATOM 257 CB SER A 18 12.287 24.547 -7.938 1.00 0.00 C ATOM 258 OG SER A 18 13.604 24.685 -8.464 1.00 0.00 O ATOM 0 H SER A 18 10.728 24.670 -9.864 1.00 0.00 H new ATOM 0 HA SER A 18 12.328 22.618 -8.852 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.709 25.442 -8.169 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.337 24.471 -6.852 1.00 0.00 H new ATOM 0 HG SER A 18 14.028 25.481 -8.081 1.00 0.00 H new ATOM 264 N LYS A 19 9.586 23.254 -7.135 1.00 0.00 N ATOM 265 CA LYS A 19 8.687 22.727 -6.122 1.00 0.00 C ATOM 266 C LYS A 19 8.575 21.210 -6.284 1.00 0.00 C ATOM 267 O LYS A 19 8.780 20.464 -5.328 1.00 0.00 O ATOM 268 CB LYS A 19 7.340 23.452 -6.171 1.00 0.00 C ATOM 269 CG LYS A 19 7.232 24.485 -5.048 1.00 0.00 C ATOM 270 CD LYS A 19 6.789 23.828 -3.739 1.00 0.00 C ATOM 271 CE LYS A 19 7.880 23.938 -2.673 1.00 0.00 C ATOM 272 NZ LYS A 19 7.343 23.581 -1.341 1.00 0.00 N ATOM 0 H LYS A 19 9.260 24.105 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 19 9.087 22.913 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.223 23.945 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.530 22.728 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.195 24.974 -4.905 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.519 25.260 -5.329 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.876 24.303 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.553 22.779 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.710 23.279 -2.925 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.275 24.954 -2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.097 23.661 -0.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.566 24.227 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.988 22.604 -1.360 1.00 0.00 H new ATOM 286 N SER A 20 8.251 20.799 -7.501 1.00 0.00 N ATOM 287 CA SER A 20 8.110 19.385 -7.800 1.00 0.00 C ATOM 288 C SER A 20 8.799 19.059 -9.127 1.00 0.00 C ATOM 289 O SER A 20 8.212 19.229 -10.194 1.00 0.00 O ATOM 290 CB SER A 20 6.637 18.977 -7.854 1.00 0.00 C ATOM 291 OG SER A 20 6.126 18.650 -6.565 1.00 0.00 O ATOM 0 H SER A 20 8.082 21.421 -8.292 1.00 0.00 H new ATOM 0 HA SER A 20 8.587 18.818 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.051 19.791 -8.281 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.522 18.120 -8.518 1.00 0.00 H new ATOM 0 HG SER A 20 5.182 18.396 -6.642 1.00 0.00 H new ATOM 297 N THR A 21 10.036 18.596 -9.017 1.00 0.00 N ATOM 298 CA THR A 21 10.812 18.245 -10.195 1.00 0.00 C ATOM 299 C THR A 21 10.760 16.736 -10.437 1.00 0.00 C ATOM 300 O THR A 21 11.298 15.958 -9.651 1.00 0.00 O ATOM 301 CB THR A 21 12.232 18.781 -10.002 1.00 0.00 C ATOM 302 OG1 THR A 21 12.146 20.144 -10.411 1.00 0.00 O ATOM 303 CG2 THR A 21 13.229 18.160 -10.982 1.00 0.00 C ATOM 0 H THR A 21 10.520 18.456 -8.130 1.00 0.00 H new ATOM 0 HA THR A 21 10.396 18.701 -11.093 1.00 0.00 H new ATOM 0 HB THR A 21 12.558 18.587 -8.980 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.246 20.485 -10.225 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.221 18.574 -10.803 1.00 0.00 H new ATOM 0 HG22 THR A 21 13.255 17.080 -10.839 1.00 0.00 H new ATOM 0 HG23 THR A 21 12.922 18.383 -12.004 1.00 0.00 H new ATOM 311 N TRP A 22 10.106 16.365 -11.529 1.00 0.00 N ATOM 312 CA TRP A 22 9.977 14.962 -11.885 1.00 0.00 C ATOM 313 C TRP A 22 10.663 14.753 -13.237 1.00 0.00 C ATOM 314 O TRP A 22 10.827 15.697 -14.006 1.00 0.00 O ATOM 315 CB TRP A 22 8.510 14.531 -11.886 1.00 0.00 C ATOM 316 CG TRP A 22 8.002 14.050 -10.525 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.538 14.274 -9.318 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.827 13.247 -10.281 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.798 13.678 -8.317 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.725 13.034 -8.921 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.882 12.721 -11.178 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.692 12.290 -8.337 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.856 11.979 -10.579 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.739 11.755 -9.212 1.00 0.00 C ATOM 0 H TRP A 22 9.660 17.012 -12.179 1.00 0.00 H new ATOM 0 HA TRP A 22 10.466 14.329 -11.145 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.896 15.369 -12.216 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.377 13.732 -12.615 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.437 14.849 -9.149 1.00 0.00 H new ATOM 0 HE1 TRP A 22 8.001 13.705 -7.318 1.00 0.00 H new ATOM 0 HE3 TRP A 22 5.942 12.877 -12.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.634 12.137 -7.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.103 11.551 -11.224 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.916 11.171 -8.827 1.00 0.00 H new ATOM 335 N VAL A 23 11.045 13.508 -13.483 1.00 0.00 N ATOM 336 CA VAL A 23 11.709 13.163 -14.728 1.00 0.00 C ATOM 337 C VAL A 23 11.473 11.682 -15.032 1.00 0.00 C ATOM 338 O VAL A 23 11.804 10.817 -14.222 1.00 0.00 O ATOM 339 CB VAL A 23 13.194 13.527 -14.649 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.845 12.906 -13.412 1.00 0.00 C ATOM 341 CG2 VAL A 23 13.928 13.112 -15.924 1.00 0.00 C ATOM 0 H VAL A 23 10.907 12.727 -12.842 1.00 0.00 H new ATOM 0 HA VAL A 23 11.291 13.737 -15.555 1.00 0.00 H new ATOM 0 HB VAL A 23 13.270 14.611 -14.558 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.900 13.180 -13.380 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.347 13.274 -12.515 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.753 11.821 -13.459 1.00 0.00 H new ATOM 0 HG21 VAL A 23 14.981 13.382 -15.842 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.839 12.034 -16.061 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.488 13.624 -16.780 1.00 0.00 H new ATOM 351 N ILE A 24 10.903 11.434 -16.202 1.00 0.00 N ATOM 352 CA ILE A 24 10.619 10.073 -16.624 1.00 0.00 C ATOM 353 C ILE A 24 11.936 9.344 -16.899 1.00 0.00 C ATOM 354 O ILE A 24 12.660 9.693 -17.829 1.00 0.00 O ATOM 355 CB ILE A 24 9.654 10.070 -17.811 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.368 10.826 -17.474 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.373 8.643 -18.285 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.750 11.443 -18.731 1.00 0.00 C ATOM 0 H ILE A 24 10.630 12.153 -16.872 1.00 0.00 H new ATOM 0 HA ILE A 24 10.111 9.526 -15.830 1.00 0.00 H new ATOM 0 HB ILE A 24 10.129 10.597 -18.639 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.654 10.147 -17.009 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.582 11.610 -16.747 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.684 8.669 -19.129 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.306 8.171 -18.592 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.928 8.070 -17.471 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.837 11.975 -18.464 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.458 12.140 -19.180 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.515 10.654 -19.446 1.00 0.00 H new ATOM 370 N LEU A 25 12.206 8.344 -16.073 1.00 0.00 N ATOM 371 CA LEU A 25 13.422 7.562 -16.216 1.00 0.00 C ATOM 372 C LEU A 25 13.060 6.081 -16.338 1.00 0.00 C ATOM 373 O LEU A 25 12.474 5.504 -15.422 1.00 0.00 O ATOM 374 CB LEU A 25 14.392 7.867 -15.072 1.00 0.00 C ATOM 375 CG LEU A 25 15.586 8.757 -15.423 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.143 9.970 -16.243 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.354 9.165 -14.165 1.00 0.00 C ATOM 0 H LEU A 25 11.603 8.057 -15.302 1.00 0.00 H new ATOM 0 HA LEU A 25 13.947 7.837 -17.131 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.834 8.344 -14.266 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.771 6.922 -14.682 1.00 0.00 H new ATOM 0 HG LEU A 25 16.271 8.181 -16.045 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.011 10.586 -16.479 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.675 9.633 -17.168 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.427 10.557 -15.667 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.198 9.797 -14.443 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.692 9.716 -13.497 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.721 8.273 -13.657 1.00 0.00 H new ATOM 389 N HIS A 26 13.424 5.507 -17.475 1.00 0.00 N ATOM 390 CA HIS A 26 13.146 4.104 -17.727 1.00 0.00 C ATOM 391 C HIS A 26 11.753 3.754 -17.200 1.00 0.00 C ATOM 392 O HIS A 26 11.614 2.911 -16.315 1.00 0.00 O ATOM 393 CB HIS A 26 14.243 3.216 -17.137 1.00 0.00 C ATOM 394 CG HIS A 26 15.644 3.717 -17.398 1.00 0.00 C ATOM 395 ND1 HIS A 26 16.512 4.079 -16.383 1.00 0.00 N ATOM 396 CD2 HIS A 26 16.318 3.911 -18.568 1.00 0.00 C ATOM 397 CE1 HIS A 26 17.653 4.472 -16.928 1.00 0.00 C ATOM 398 NE2 HIS A 26 17.531 4.367 -18.282 1.00 0.00 N ATOM 0 H HIS A 26 13.909 5.988 -18.232 1.00 0.00 H new ATOM 0 HA HIS A 26 13.148 3.918 -18.801 1.00 0.00 H new ATOM 0 HB2 HIS A 26 14.091 3.135 -16.061 1.00 0.00 H new ATOM 0 HB3 HIS A 26 14.144 2.212 -17.549 1.00 0.00 H new ATOM 0 HD1 HIS A 26 16.308 4.048 -15.384 1.00 0.00 H new ATOM 0 HD2 HIS A 26 15.930 3.725 -19.559 1.00 0.00 H new ATOM 0 HE1 HIS A 26 18.527 4.815 -16.394 1.00 0.00 H new ATOM 406 N HIS A 27 10.756 4.419 -17.767 1.00 0.00 N ATOM 407 CA HIS A 27 9.380 4.189 -17.364 1.00 0.00 C ATOM 408 C HIS A 27 9.266 4.284 -15.842 1.00 0.00 C ATOM 409 O HIS A 27 8.724 3.387 -15.199 1.00 0.00 O ATOM 410 CB HIS A 27 8.869 2.857 -17.915 1.00 0.00 C ATOM 411 CG HIS A 27 9.645 1.655 -17.434 1.00 0.00 C ATOM 412 ND1 HIS A 27 9.313 0.958 -16.284 1.00 0.00 N ATOM 413 CD2 HIS A 27 10.740 1.033 -17.958 1.00 0.00 C ATOM 414 CE1 HIS A 27 10.177 -0.034 -16.133 1.00 0.00 C ATOM 415 NE2 HIS A 27 11.060 0.014 -17.171 1.00 0.00 N ATOM 0 H HIS A 27 10.875 5.117 -18.502 1.00 0.00 H new ATOM 0 HA HIS A 27 8.740 4.962 -17.789 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.823 2.737 -17.634 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.905 2.888 -19.004 1.00 0.00 H new ATOM 0 HD1 HIS A 27 8.535 1.172 -15.660 1.00 0.00 H new ATOM 0 HD2 HIS A 27 11.259 1.321 -18.860 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.182 -0.755 -15.329 1.00 0.00 H new ATOM 423 N LYS A 28 9.788 5.380 -15.309 1.00 0.00 N ATOM 424 CA LYS A 28 9.753 5.603 -13.873 1.00 0.00 C ATOM 425 C LYS A 28 10.193 7.038 -13.575 1.00 0.00 C ATOM 426 O LYS A 28 11.351 7.395 -13.792 1.00 0.00 O ATOM 427 CB LYS A 28 10.580 4.542 -13.145 1.00 0.00 C ATOM 428 CG LYS A 28 9.755 3.859 -12.052 1.00 0.00 C ATOM 429 CD LYS A 28 9.441 2.410 -12.428 1.00 0.00 C ATOM 430 CE LYS A 28 10.357 1.439 -11.678 1.00 0.00 C ATOM 431 NZ LYS A 28 10.228 0.073 -12.232 1.00 0.00 N ATOM 0 H LYS A 28 10.237 6.122 -15.845 1.00 0.00 H new ATOM 0 HA LYS A 28 8.736 5.495 -13.495 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.932 3.797 -13.859 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.463 5.004 -12.704 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.302 3.884 -11.109 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.826 4.408 -11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.400 2.187 -12.195 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.563 2.275 -13.503 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.392 1.773 -11.755 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.102 1.434 -10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.856 -0.573 -11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.244 -0.249 -12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.494 0.080 -13.237 1.00 0.00 H new ATOM 445 N VAL A 29 9.246 7.823 -13.081 1.00 0.00 N ATOM 446 CA VAL A 29 9.522 9.211 -12.751 1.00 0.00 C ATOM 447 C VAL A 29 10.411 9.267 -11.506 1.00 0.00 C ATOM 448 O VAL A 29 10.242 8.473 -10.582 1.00 0.00 O ATOM 449 CB VAL A 29 8.210 9.979 -12.583 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.299 9.778 -13.796 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.499 9.577 -11.290 1.00 0.00 C ATOM 0 H VAL A 29 8.287 7.524 -12.902 1.00 0.00 H new ATOM 0 HA VAL A 29 10.066 9.696 -13.562 1.00 0.00 H new ATOM 0 HB VAL A 29 8.450 11.040 -12.515 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.373 10.334 -13.652 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.803 10.138 -14.693 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.072 8.718 -13.909 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.569 10.138 -11.196 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.278 8.510 -11.313 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.142 9.796 -10.438 1.00 0.00 H new ATOM 461 N TYR A 30 11.337 10.214 -11.521 1.00 0.00 N ATOM 462 CA TYR A 30 12.252 10.384 -10.406 1.00 0.00 C ATOM 463 C TYR A 30 12.061 11.750 -9.743 1.00 0.00 C ATOM 464 O TYR A 30 12.397 12.780 -10.327 1.00 0.00 O ATOM 465 CB TYR A 30 13.660 10.312 -11.000 1.00 0.00 C ATOM 466 CG TYR A 30 14.215 8.891 -11.115 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.389 7.808 -10.889 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.539 8.691 -11.446 1.00 0.00 C ATOM 469 CE1 TYR A 30 13.911 6.470 -10.997 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.061 7.354 -11.555 1.00 0.00 C ATOM 471 CZ TYR A 30 15.221 6.309 -11.325 1.00 0.00 C ATOM 472 OH TYR A 30 15.714 5.045 -11.427 1.00 0.00 O ATOM 0 H TYR A 30 11.473 10.872 -12.288 1.00 0.00 H new ATOM 0 HA TYR A 30 12.078 9.620 -9.648 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.649 10.768 -11.990 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.334 10.906 -10.383 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.352 7.964 -10.631 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.185 9.538 -11.624 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.276 5.614 -10.821 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.096 7.184 -11.813 1.00 0.00 H new ATOM 0 HH TYR A 30 16.663 5.083 -11.668 1.00 0.00 H new ATOM 482 N ASP A 31 11.521 11.715 -8.534 1.00 0.00 N ATOM 483 CA ASP A 31 11.281 12.938 -7.786 1.00 0.00 C ATOM 484 C ASP A 31 12.591 13.406 -7.149 1.00 0.00 C ATOM 485 O ASP A 31 12.801 13.228 -5.951 1.00 0.00 O ATOM 486 CB ASP A 31 10.266 12.706 -6.664 1.00 0.00 C ATOM 487 CG ASP A 31 9.907 13.951 -5.850 1.00 0.00 C ATOM 488 OD1 ASP A 31 10.848 14.708 -5.525 1.00 0.00 O ATOM 489 OD2 ASP A 31 8.701 14.118 -5.571 1.00 0.00 O ATOM 0 H ASP A 31 11.243 10.859 -8.053 1.00 0.00 H new ATOM 0 HA ASP A 31 10.891 13.686 -8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.353 12.299 -7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.662 11.949 -5.987 1.00 0.00 H new ATOM 494 N LEU A 32 13.436 13.997 -7.980 1.00 0.00 N ATOM 495 CA LEU A 32 14.720 14.493 -7.513 1.00 0.00 C ATOM 496 C LEU A 32 14.588 15.972 -7.145 1.00 0.00 C ATOM 497 O LEU A 32 15.485 16.767 -7.419 1.00 0.00 O ATOM 498 CB LEU A 32 15.811 14.213 -8.549 1.00 0.00 C ATOM 499 CG LEU A 32 15.780 15.082 -9.808 1.00 0.00 C ATOM 500 CD1 LEU A 32 17.077 15.879 -9.956 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.481 14.238 -11.048 1.00 0.00 C ATOM 0 H LEU A 32 13.257 14.144 -8.973 1.00 0.00 H new ATOM 0 HA LEU A 32 15.026 13.965 -6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.781 14.339 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.738 13.168 -8.851 1.00 0.00 H new ATOM 0 HG LEU A 32 14.969 15.803 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.029 16.488 -10.859 1.00 0.00 H new ATOM 0 HD12 LEU A 32 17.208 16.526 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.920 15.192 -10.027 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.464 14.879 -11.929 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.254 13.479 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.511 13.754 -10.933 1.00 0.00 H new ATOM 513 N THR A 33 13.460 16.298 -6.529 1.00 0.00 N ATOM 514 CA THR A 33 13.198 17.667 -6.120 1.00 0.00 C ATOM 515 C THR A 33 14.244 18.129 -5.104 1.00 0.00 C ATOM 516 O THR A 33 14.829 19.201 -5.253 1.00 0.00 O ATOM 517 CB THR A 33 11.764 17.736 -5.592 1.00 0.00 C ATOM 518 OG1 THR A 33 10.960 17.429 -6.728 1.00 0.00 O ATOM 519 CG2 THR A 33 11.347 19.159 -5.214 1.00 0.00 C ATOM 0 H THR A 33 12.717 15.636 -6.304 1.00 0.00 H new ATOM 0 HA THR A 33 13.283 18.355 -6.961 1.00 0.00 H new ATOM 0 HB THR A 33 11.666 17.086 -4.723 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.674 16.493 -6.683 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.321 19.152 -4.845 1.00 0.00 H new ATOM 0 HG22 THR A 33 12.010 19.538 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.413 19.803 -6.091 1.00 0.00 H new ATOM 527 N LYS A 34 14.446 17.298 -4.092 1.00 0.00 N ATOM 528 CA LYS A 34 15.410 17.608 -3.051 1.00 0.00 C ATOM 529 C LYS A 34 16.821 17.577 -3.642 1.00 0.00 C ATOM 530 O LYS A 34 17.646 18.436 -3.334 1.00 0.00 O ATOM 531 CB LYS A 34 15.226 16.674 -1.853 1.00 0.00 C ATOM 532 CG LYS A 34 13.742 16.411 -1.587 1.00 0.00 C ATOM 533 CD LYS A 34 13.400 14.935 -1.801 1.00 0.00 C ATOM 534 CE LYS A 34 12.117 14.783 -2.621 1.00 0.00 C ATOM 535 NZ LYS A 34 11.815 13.353 -2.851 1.00 0.00 N ATOM 0 H LYS A 34 13.958 16.410 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 34 15.245 18.615 -2.669 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.739 15.730 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.685 17.116 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.495 16.701 -0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.135 17.028 -2.249 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.224 14.438 -2.313 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.280 14.442 -0.836 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.286 15.257 -2.098 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.226 15.296 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.796 13.189 -2.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.092 13.091 -3.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.345 12.772 -2.170 1.00 0.00 H new ATOM 549 N TYR A 35 17.054 16.579 -4.483 1.00 0.00 N ATOM 550 CA TYR A 35 18.351 16.425 -5.120 1.00 0.00 C ATOM 551 C TYR A 35 18.402 17.184 -6.448 1.00 0.00 C ATOM 552 O TYR A 35 19.223 16.876 -7.312 1.00 0.00 O ATOM 553 CB TYR A 35 18.510 14.929 -5.395 1.00 0.00 C ATOM 554 CG TYR A 35 19.821 14.561 -6.094 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.992 14.484 -5.368 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.832 14.307 -7.450 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.225 14.137 -6.025 1.00 0.00 C ATOM 558 CE2 TYR A 35 21.065 13.961 -8.109 1.00 0.00 C ATOM 559 CZ TYR A 35 22.201 13.893 -7.363 1.00 0.00 C ATOM 560 OH TYR A 35 23.366 13.566 -7.985 1.00 0.00 O ATOM 0 H TYR A 35 16.367 15.870 -4.738 1.00 0.00 H new ATOM 0 HA TYR A 35 19.142 16.819 -4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.449 14.388 -4.451 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.675 14.592 -6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.983 14.684 -4.307 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.915 14.368 -8.018 1.00 0.00 H new ATOM 0 HE1 TYR A 35 23.148 14.072 -5.468 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.087 13.760 -9.170 1.00 0.00 H new ATOM 0 HH TYR A 35 23.811 12.847 -7.490 1.00 0.00 H new ATOM 570 N LEU A 36 17.516 18.161 -6.569 1.00 0.00 N ATOM 571 CA LEU A 36 17.449 18.966 -7.777 1.00 0.00 C ATOM 572 C LEU A 36 18.624 19.947 -7.796 1.00 0.00 C ATOM 573 O LEU A 36 19.353 20.028 -8.784 1.00 0.00 O ATOM 574 CB LEU A 36 16.082 19.643 -7.896 1.00 0.00 C ATOM 575 CG LEU A 36 15.930 20.650 -9.038 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.740 21.917 -8.762 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.296 20.016 -10.381 1.00 0.00 C ATOM 0 H LEU A 36 16.838 18.414 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 36 17.544 18.335 -8.661 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.324 18.869 -8.017 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.868 20.153 -6.957 1.00 0.00 H new ATOM 0 HG LEU A 36 14.882 20.944 -9.097 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.615 22.616 -9.589 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.389 22.379 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.794 21.660 -8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.179 20.753 -11.175 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.331 19.674 -10.352 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.639 19.168 -10.574 1.00 0.00 H new ATOM 589 N GLU A 37 18.773 20.665 -6.693 1.00 0.00 N ATOM 590 CA GLU A 37 19.846 21.636 -6.571 1.00 0.00 C ATOM 591 C GLU A 37 21.113 20.963 -6.040 1.00 0.00 C ATOM 592 O GLU A 37 22.182 21.570 -6.024 1.00 0.00 O ATOM 593 CB GLU A 37 19.429 22.803 -5.674 1.00 0.00 C ATOM 594 CG GLU A 37 19.231 22.342 -4.229 1.00 0.00 C ATOM 595 CD GLU A 37 18.826 23.512 -3.331 1.00 0.00 C ATOM 596 OE1 GLU A 37 17.720 24.046 -3.558 1.00 0.00 O ATOM 597 OE2 GLU A 37 19.632 23.846 -2.435 1.00 0.00 O ATOM 0 H GLU A 37 18.168 20.593 -5.875 1.00 0.00 H new ATOM 0 HA GLU A 37 20.060 22.039 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 37 20.190 23.583 -5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.505 23.242 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.464 21.568 -4.192 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.153 21.895 -3.857 1.00 0.00 H new ATOM 604 N GLU A 38 20.951 19.717 -5.619 1.00 0.00 N ATOM 605 CA GLU A 38 22.069 18.954 -5.091 1.00 0.00 C ATOM 606 C GLU A 38 22.845 18.290 -6.230 1.00 0.00 C ATOM 607 O GLU A 38 24.022 17.965 -6.076 1.00 0.00 O ATOM 608 CB GLU A 38 21.591 17.916 -4.074 1.00 0.00 C ATOM 609 CG GLU A 38 22.417 17.986 -2.789 1.00 0.00 C ATOM 610 CD GLU A 38 21.611 18.620 -1.653 1.00 0.00 C ATOM 611 OE1 GLU A 38 21.680 19.862 -1.533 1.00 0.00 O ATOM 612 OE2 GLU A 38 20.945 17.847 -0.930 1.00 0.00 O ATOM 0 H GLU A 38 20.062 19.217 -5.633 1.00 0.00 H new ATOM 0 HA GLU A 38 22.740 19.640 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.539 18.085 -3.844 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.667 16.918 -4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.733 16.983 -2.500 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.322 18.567 -2.966 1.00 0.00 H new ATOM 619 N HIS A 39 22.156 18.109 -7.346 1.00 0.00 N ATOM 620 CA HIS A 39 22.765 17.490 -8.511 1.00 0.00 C ATOM 621 C HIS A 39 24.100 18.174 -8.816 1.00 0.00 C ATOM 622 O HIS A 39 24.157 19.395 -8.954 1.00 0.00 O ATOM 623 CB HIS A 39 21.804 17.505 -9.701 1.00 0.00 C ATOM 624 CG HIS A 39 22.154 16.515 -10.786 1.00 0.00 C ATOM 625 ND1 HIS A 39 22.079 16.822 -12.133 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.582 15.222 -10.708 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.446 15.754 -12.826 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.758 14.764 -11.941 1.00 0.00 N ATOM 0 H HIS A 39 21.180 18.380 -7.469 1.00 0.00 H new ATOM 0 HA HIS A 39 22.973 16.441 -8.302 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.796 17.295 -9.343 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.788 18.507 -10.129 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.790 17.718 -12.526 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.749 14.666 -9.798 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.490 15.680 -13.903 1.00 0.00 H new ATOM 636 N PRO A 40 25.166 17.336 -8.916 1.00 0.00 N ATOM 637 CA PRO A 40 26.495 17.847 -9.202 1.00 0.00 C ATOM 638 C PRO A 40 26.625 18.242 -10.675 1.00 0.00 C ATOM 639 O PRO A 40 27.399 19.136 -11.016 1.00 0.00 O ATOM 640 CB PRO A 40 27.442 16.728 -8.803 1.00 0.00 C ATOM 641 CG PRO A 40 26.596 15.467 -8.744 1.00 0.00 C ATOM 642 CD PRO A 40 25.134 15.885 -8.758 1.00 0.00 C ATOM 0 HA PRO A 40 26.722 18.759 -8.650 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.250 16.623 -9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.905 16.933 -7.838 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.816 14.820 -9.593 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.822 14.898 -7.842 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.594 15.409 -9.576 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.631 15.598 -7.835 1.00 0.00 H new ATOM 650 N GLY A 41 25.855 17.559 -11.508 1.00 0.00 N ATOM 651 CA GLY A 41 25.874 17.826 -12.936 1.00 0.00 C ATOM 652 C GLY A 41 25.319 19.219 -13.240 1.00 0.00 C ATOM 653 O GLY A 41 26.058 20.108 -13.662 1.00 0.00 O ATOM 0 H GLY A 41 25.213 16.820 -11.221 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.894 17.747 -13.311 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.284 17.073 -13.458 1.00 0.00 H new ATOM 657 N GLY A 42 24.022 19.368 -13.012 1.00 0.00 N ATOM 658 CA GLY A 42 23.359 20.637 -13.257 1.00 0.00 C ATOM 659 C GLY A 42 21.905 20.597 -12.782 1.00 0.00 C ATOM 660 O GLY A 42 21.265 19.547 -12.820 1.00 0.00 O ATOM 0 H GLY A 42 23.412 18.630 -12.660 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.892 21.435 -12.741 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.391 20.869 -14.322 1.00 0.00 H new ATOM 664 N GLU A 43 21.426 21.753 -12.347 1.00 0.00 N ATOM 665 CA GLU A 43 20.059 21.863 -11.866 1.00 0.00 C ATOM 666 C GLU A 43 19.104 22.116 -13.034 1.00 0.00 C ATOM 667 O GLU A 43 17.898 21.908 -12.912 1.00 0.00 O ATOM 668 CB GLU A 43 19.936 22.963 -10.810 1.00 0.00 C ATOM 669 CG GLU A 43 20.394 24.312 -11.367 1.00 0.00 C ATOM 670 CD GLU A 43 21.449 24.951 -10.460 1.00 0.00 C ATOM 671 OE1 GLU A 43 22.628 24.562 -10.603 1.00 0.00 O ATOM 672 OE2 GLU A 43 21.051 25.812 -9.646 1.00 0.00 O ATOM 0 H GLU A 43 21.960 22.622 -12.317 1.00 0.00 H new ATOM 0 HA GLU A 43 19.784 20.920 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.901 23.036 -10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.536 22.703 -9.938 1.00 0.00 H new ATOM 0 HG2 GLU A 43 20.804 24.176 -12.368 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.538 24.980 -11.461 1.00 0.00 H new ATOM 679 N GLU A 44 19.679 22.561 -14.142 1.00 0.00 N ATOM 680 CA GLU A 44 18.895 22.845 -15.331 1.00 0.00 C ATOM 681 C GLU A 44 18.696 21.570 -16.153 1.00 0.00 C ATOM 682 O GLU A 44 17.567 21.201 -16.471 1.00 0.00 O ATOM 683 CB GLU A 44 19.550 23.942 -16.172 1.00 0.00 C ATOM 684 CG GLU A 44 18.642 24.361 -17.331 1.00 0.00 C ATOM 685 CD GLU A 44 18.784 25.857 -17.624 1.00 0.00 C ATOM 686 OE1 GLU A 44 19.883 26.244 -18.076 1.00 0.00 O ATOM 687 OE2 GLU A 44 17.789 26.576 -17.391 1.00 0.00 O ATOM 0 H GLU A 44 20.680 22.732 -14.241 1.00 0.00 H new ATOM 0 HA GLU A 44 17.917 23.209 -15.018 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.766 24.806 -15.544 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.503 23.585 -16.563 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.895 23.786 -18.222 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.605 24.131 -17.087 1.00 0.00 H new ATOM 694 N VAL A 45 19.811 20.930 -16.472 1.00 0.00 N ATOM 695 CA VAL A 45 19.774 19.704 -17.250 1.00 0.00 C ATOM 696 C VAL A 45 18.600 18.842 -16.781 1.00 0.00 C ATOM 697 O VAL A 45 18.043 18.069 -17.559 1.00 0.00 O ATOM 698 CB VAL A 45 21.120 18.982 -17.156 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.769 19.209 -15.789 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.964 17.489 -17.447 1.00 0.00 C ATOM 0 H VAL A 45 20.746 21.238 -16.206 1.00 0.00 H new ATOM 0 HA VAL A 45 19.613 19.927 -18.305 1.00 0.00 H new ATOM 0 HB VAL A 45 21.779 19.403 -17.915 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.724 18.685 -15.748 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.933 20.276 -15.637 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.113 18.828 -15.007 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.936 17.000 -17.373 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.280 17.047 -16.723 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.565 17.354 -18.452 1.00 0.00 H new ATOM 710 N LEU A 46 18.260 19.003 -15.510 1.00 0.00 N ATOM 711 CA LEU A 46 17.163 18.250 -14.928 1.00 0.00 C ATOM 712 C LEU A 46 15.845 18.975 -15.211 1.00 0.00 C ATOM 713 O LEU A 46 14.964 18.430 -15.875 1.00 0.00 O ATOM 714 CB LEU A 46 17.417 17.997 -13.440 1.00 0.00 C ATOM 715 CG LEU A 46 18.872 17.736 -13.044 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.137 18.191 -11.608 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.244 16.268 -13.259 1.00 0.00 C ATOM 0 H LEU A 46 18.725 19.644 -14.868 1.00 0.00 H new ATOM 0 HA LEU A 46 17.091 17.265 -15.389 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.057 18.859 -12.878 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.817 17.141 -13.129 1.00 0.00 H new ATOM 0 HG LEU A 46 19.516 18.328 -13.694 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.178 17.995 -11.350 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.937 19.259 -11.522 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.485 17.644 -10.927 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.283 16.110 -12.970 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.598 15.636 -12.650 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.117 16.011 -14.311 1.00 0.00 H new ATOM 729 N ARG A 47 15.753 20.191 -14.696 1.00 0.00 N ATOM 730 CA ARG A 47 14.558 20.995 -14.885 1.00 0.00 C ATOM 731 C ARG A 47 14.270 21.176 -16.377 1.00 0.00 C ATOM 732 O ARG A 47 13.188 20.832 -16.850 1.00 0.00 O ATOM 733 CB ARG A 47 14.711 22.371 -14.233 1.00 0.00 C ATOM 734 CG ARG A 47 14.751 22.253 -12.709 1.00 0.00 C ATOM 735 CD ARG A 47 14.149 23.494 -12.046 1.00 0.00 C ATOM 736 NE ARG A 47 15.152 24.582 -12.001 1.00 0.00 N ATOM 737 CZ ARG A 47 14.846 25.879 -11.869 1.00 0.00 C ATOM 738 NH1 ARG A 47 13.565 26.260 -11.769 1.00 0.00 N ATOM 739 NH2 ARG A 47 15.822 26.798 -11.837 1.00 0.00 N ATOM 0 H ARG A 47 16.487 20.640 -14.148 1.00 0.00 H new ATOM 0 HA ARG A 47 13.728 20.471 -14.412 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.625 22.846 -14.589 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.881 23.013 -14.530 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.201 21.366 -12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 47 15.781 22.123 -12.378 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.270 23.822 -12.600 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.817 23.252 -11.036 1.00 0.00 H new ATOM 0 HE ARG A 47 16.137 24.328 -12.075 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.822 25.562 -11.793 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.333 27.248 -11.668 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.797 26.509 -11.913 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.589 27.786 -11.736 1.00 0.00 H new ATOM 753 N GLU A 48 15.258 21.714 -17.076 1.00 0.00 N ATOM 754 CA GLU A 48 15.124 21.944 -18.505 1.00 0.00 C ATOM 755 C GLU A 48 14.273 20.843 -19.143 1.00 0.00 C ATOM 756 O GLU A 48 13.389 21.127 -19.949 1.00 0.00 O ATOM 757 CB GLU A 48 16.497 22.034 -19.177 1.00 0.00 C ATOM 758 CG GLU A 48 16.370 22.529 -20.619 1.00 0.00 C ATOM 759 CD GLU A 48 16.312 24.057 -20.670 1.00 0.00 C ATOM 760 OE1 GLU A 48 15.289 24.603 -20.202 1.00 0.00 O ATOM 761 OE2 GLU A 48 17.291 24.646 -21.178 1.00 0.00 O ATOM 0 H GLU A 48 16.154 21.997 -16.680 1.00 0.00 H new ATOM 0 HA GLU A 48 14.619 22.899 -18.654 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.139 22.710 -18.612 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.976 21.055 -19.166 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.217 22.174 -21.205 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.471 22.112 -21.073 1.00 0.00 H new ATOM 768 N GLN A 49 14.572 19.611 -18.758 1.00 0.00 N ATOM 769 CA GLN A 49 13.845 18.468 -19.282 1.00 0.00 C ATOM 770 C GLN A 49 13.368 17.572 -18.136 1.00 0.00 C ATOM 771 O GLN A 49 13.550 16.356 -18.176 1.00 0.00 O ATOM 772 CB GLN A 49 14.704 17.679 -20.273 1.00 0.00 C ATOM 773 CG GLN A 49 15.996 17.194 -19.612 1.00 0.00 C ATOM 774 CD GLN A 49 16.999 16.710 -20.662 1.00 0.00 C ATOM 775 OE1 GLN A 49 16.670 15.978 -21.581 1.00 0.00 O ATOM 776 NE2 GLN A 49 18.237 17.156 -20.474 1.00 0.00 N ATOM 0 H GLN A 49 15.307 19.380 -18.090 1.00 0.00 H new ATOM 0 HA GLN A 49 12.971 18.834 -19.820 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.141 16.825 -20.649 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.944 18.306 -21.132 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.436 18.003 -19.028 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.772 16.385 -18.917 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.445 17.766 -19.684 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.979 16.888 -21.120 1.00 0.00 H new ATOM 785 N ALA A 50 12.766 18.208 -17.141 1.00 0.00 N ATOM 786 CA ALA A 50 12.261 17.484 -15.988 1.00 0.00 C ATOM 787 C ALA A 50 11.046 16.652 -16.404 1.00 0.00 C ATOM 788 O ALA A 50 11.192 15.512 -16.843 1.00 0.00 O ATOM 789 CB ALA A 50 11.933 18.474 -14.868 1.00 0.00 C ATOM 0 H ALA A 50 12.617 19.217 -17.110 1.00 0.00 H new ATOM 0 HA ALA A 50 13.016 16.796 -15.606 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.554 17.931 -14.002 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.835 19.019 -14.588 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.177 19.178 -15.215 1.00 0.00 H new ATOM 795 N GLY A 51 9.876 17.254 -16.252 1.00 0.00 N ATOM 796 CA GLY A 51 8.638 16.581 -16.606 1.00 0.00 C ATOM 797 C GLY A 51 8.788 15.815 -17.923 1.00 0.00 C ATOM 798 O GLY A 51 8.174 14.765 -18.107 1.00 0.00 O ATOM 0 H GLY A 51 9.759 18.200 -15.889 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.354 15.892 -15.811 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.835 17.312 -16.696 1.00 0.00 H new ATOM 802 N GLY A 52 9.606 16.370 -18.803 1.00 0.00 N ATOM 803 CA GLY A 52 9.845 15.751 -20.097 1.00 0.00 C ATOM 804 C GLY A 52 10.426 14.346 -19.934 1.00 0.00 C ATOM 805 O GLY A 52 10.028 13.605 -19.036 1.00 0.00 O ATOM 0 H GLY A 52 10.112 17.242 -18.647 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.911 15.699 -20.657 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.532 16.367 -20.678 1.00 0.00 H new ATOM 809 N ASP A 53 11.359 14.020 -20.816 1.00 0.00 N ATOM 810 CA ASP A 53 11.999 12.716 -20.781 1.00 0.00 C ATOM 811 C ASP A 53 13.518 12.897 -20.816 1.00 0.00 C ATOM 812 O ASP A 53 14.074 13.315 -21.831 1.00 0.00 O ATOM 813 CB ASP A 53 11.596 11.873 -21.993 1.00 0.00 C ATOM 814 CG ASP A 53 12.338 10.541 -22.129 1.00 0.00 C ATOM 815 OD1 ASP A 53 12.974 10.141 -21.130 1.00 0.00 O ATOM 816 OD2 ASP A 53 12.251 9.953 -23.229 1.00 0.00 O ATOM 0 H ASP A 53 11.687 14.636 -21.559 1.00 0.00 H new ATOM 0 HA ASP A 53 11.685 12.210 -19.868 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.526 11.672 -21.937 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.764 12.459 -22.897 1.00 0.00 H new ATOM 821 N ALA A 54 14.146 12.574 -19.695 1.00 0.00 N ATOM 822 CA ALA A 54 15.589 12.696 -19.584 1.00 0.00 C ATOM 823 C ALA A 54 16.206 11.301 -19.457 1.00 0.00 C ATOM 824 O ALA A 54 17.341 11.160 -19.005 1.00 0.00 O ATOM 825 CB ALA A 54 15.936 13.596 -18.397 1.00 0.00 C ATOM 0 H ALA A 54 13.681 12.228 -18.855 1.00 0.00 H new ATOM 0 HA ALA A 54 16.004 13.161 -20.478 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.019 13.687 -18.314 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.499 14.583 -18.549 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.537 13.160 -17.481 1.00 0.00 H new ATOM 831 N THR A 55 15.431 10.306 -19.865 1.00 0.00 N ATOM 832 CA THR A 55 15.888 8.929 -19.804 1.00 0.00 C ATOM 833 C THR A 55 17.267 8.794 -20.451 1.00 0.00 C ATOM 834 O THR A 55 18.232 8.412 -19.792 1.00 0.00 O ATOM 835 CB THR A 55 14.821 8.048 -20.456 1.00 0.00 C ATOM 836 OG1 THR A 55 13.807 7.936 -19.462 1.00 0.00 O ATOM 837 CG2 THR A 55 15.298 6.609 -20.666 1.00 0.00 C ATOM 0 H THR A 55 14.490 10.427 -20.239 1.00 0.00 H new ATOM 0 HA THR A 55 16.016 8.600 -18.773 1.00 0.00 H new ATOM 0 HB THR A 55 14.532 8.478 -21.415 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.623 8.820 -19.081 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.503 6.026 -21.132 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.175 6.607 -21.313 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.556 6.167 -19.704 1.00 0.00 H new ATOM 845 N GLU A 56 17.316 9.116 -21.735 1.00 0.00 N ATOM 846 CA GLU A 56 18.562 9.036 -22.480 1.00 0.00 C ATOM 847 C GLU A 56 19.564 10.065 -21.952 1.00 0.00 C ATOM 848 O GLU A 56 20.752 9.774 -21.829 1.00 0.00 O ATOM 849 CB GLU A 56 18.319 9.226 -23.978 1.00 0.00 C ATOM 850 CG GLU A 56 17.429 8.113 -24.535 1.00 0.00 C ATOM 851 CD GLU A 56 17.714 7.875 -26.019 1.00 0.00 C ATOM 852 OE1 GLU A 56 18.907 7.944 -26.387 1.00 0.00 O ATOM 853 OE2 GLU A 56 16.733 7.628 -26.753 1.00 0.00 O ATOM 0 H GLU A 56 16.513 9.433 -22.279 1.00 0.00 H new ATOM 0 HA GLU A 56 18.984 8.041 -22.337 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.850 10.194 -24.154 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.272 9.233 -24.507 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.599 7.193 -23.976 1.00 0.00 H new ATOM 0 HG3 GLU A 56 16.381 8.379 -24.400 1.00 0.00 H new ATOM 860 N ASN A 57 19.046 11.248 -21.653 1.00 0.00 N ATOM 861 CA ASN A 57 19.880 12.322 -21.141 1.00 0.00 C ATOM 862 C ASN A 57 20.413 11.933 -19.760 1.00 0.00 C ATOM 863 O ASN A 57 21.328 12.573 -19.243 1.00 0.00 O ATOM 864 CB ASN A 57 19.080 13.616 -20.991 1.00 0.00 C ATOM 865 CG ASN A 57 19.255 14.515 -22.217 1.00 0.00 C ATOM 866 OD1 ASN A 57 19.995 15.484 -22.208 1.00 0.00 O ATOM 867 ND2 ASN A 57 18.536 14.138 -23.272 1.00 0.00 N ATOM 0 H ASN A 57 18.059 11.486 -21.756 1.00 0.00 H new ATOM 0 HA ASN A 57 20.695 12.482 -21.846 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.024 13.381 -20.856 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.406 14.147 -20.097 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.586 14.671 -24.140 1.00 0.00 H new ATOM 0 HD22 ASN A 57 17.936 13.316 -23.212 1.00 0.00 H new ATOM 874 N PHE A 58 19.819 10.888 -19.205 1.00 0.00 N ATOM 875 CA PHE A 58 20.223 10.408 -17.894 1.00 0.00 C ATOM 876 C PHE A 58 21.147 9.194 -18.016 1.00 0.00 C ATOM 877 O PHE A 58 22.122 9.075 -17.276 1.00 0.00 O ATOM 878 CB PHE A 58 18.949 9.990 -17.158 1.00 0.00 C ATOM 879 CG PHE A 58 19.197 9.396 -15.770 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.654 10.188 -14.764 1.00 0.00 C ATOM 881 CD2 PHE A 58 18.961 8.076 -15.543 1.00 0.00 C ATOM 882 CE1 PHE A 58 19.885 9.636 -13.475 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.191 7.525 -14.255 1.00 0.00 C ATOM 884 CZ PHE A 58 19.649 8.317 -13.248 1.00 0.00 C ATOM 0 H PHE A 58 19.061 10.360 -19.638 1.00 0.00 H new ATOM 0 HA PHE A 58 20.763 11.191 -17.361 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.298 10.858 -17.059 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.415 9.259 -17.765 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.841 11.236 -14.944 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.599 7.447 -16.343 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.248 10.265 -12.676 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.002 6.477 -14.075 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.825 7.898 -12.268 1.00 0.00 H new ATOM 894 N GLU A 59 20.808 8.324 -18.955 1.00 0.00 N ATOM 895 CA GLU A 59 21.594 7.124 -19.183 1.00 0.00 C ATOM 896 C GLU A 59 22.815 7.447 -20.048 1.00 0.00 C ATOM 897 O GLU A 59 23.857 6.806 -19.920 1.00 0.00 O ATOM 898 CB GLU A 59 20.745 6.025 -19.824 1.00 0.00 C ATOM 899 CG GLU A 59 20.412 6.365 -21.277 1.00 0.00 C ATOM 900 CD GLU A 59 21.196 5.473 -22.243 1.00 0.00 C ATOM 901 OE1 GLU A 59 22.425 5.366 -22.045 1.00 0.00 O ATOM 902 OE2 GLU A 59 20.548 4.918 -23.156 1.00 0.00 O ATOM 0 H GLU A 59 19.999 8.426 -19.567 1.00 0.00 H new ATOM 0 HA GLU A 59 21.942 6.753 -18.219 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.280 5.077 -19.783 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.823 5.896 -19.257 1.00 0.00 H new ATOM 0 HG2 GLU A 59 19.343 6.240 -21.448 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.646 7.412 -21.472 1.00 0.00 H new ATOM 909 N ASP A 60 22.646 8.441 -20.908 1.00 0.00 N ATOM 910 CA ASP A 60 23.721 8.856 -21.793 1.00 0.00 C ATOM 911 C ASP A 60 24.915 9.315 -20.956 1.00 0.00 C ATOM 912 O ASP A 60 26.057 8.964 -21.252 1.00 0.00 O ATOM 913 CB ASP A 60 23.285 10.026 -22.677 1.00 0.00 C ATOM 914 CG ASP A 60 24.357 10.545 -23.639 1.00 0.00 C ATOM 915 OD1 ASP A 60 25.541 10.232 -23.390 1.00 0.00 O ATOM 916 OD2 ASP A 60 23.967 11.241 -24.600 1.00 0.00 O ATOM 0 H ASP A 60 21.781 8.971 -21.011 1.00 0.00 H new ATOM 0 HA ASP A 60 23.986 8.007 -22.423 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.415 9.719 -23.258 1.00 0.00 H new ATOM 0 HB3 ASP A 60 22.966 10.847 -22.035 1.00 0.00 H new ATOM 921 N VAL A 61 24.613 10.092 -19.927 1.00 0.00 N ATOM 922 CA VAL A 61 25.649 10.603 -19.044 1.00 0.00 C ATOM 923 C VAL A 61 26.266 9.441 -18.265 1.00 0.00 C ATOM 924 O VAL A 61 27.356 9.573 -17.708 1.00 0.00 O ATOM 925 CB VAL A 61 25.073 11.693 -18.138 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.332 12.752 -18.956 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.161 11.091 -17.067 1.00 0.00 C ATOM 0 H VAL A 61 23.665 10.381 -19.684 1.00 0.00 H new ATOM 0 HA VAL A 61 26.448 11.068 -19.621 1.00 0.00 H new ATOM 0 HB VAL A 61 25.906 12.182 -17.633 1.00 0.00 H new ATOM 0 HG11 VAL A 61 23.933 13.515 -18.287 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.021 13.214 -19.663 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.513 12.283 -19.502 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.765 11.887 -16.437 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.336 10.563 -17.546 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.731 10.393 -16.454 1.00 0.00 H new ATOM 937 N GLY A 62 25.545 8.330 -18.249 1.00 0.00 N ATOM 938 CA GLY A 62 26.009 7.147 -17.546 1.00 0.00 C ATOM 939 C GLY A 62 26.151 7.419 -16.047 1.00 0.00 C ATOM 940 O GLY A 62 27.241 7.731 -15.570 1.00 0.00 O ATOM 0 H GLY A 62 24.642 8.224 -18.712 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.309 6.327 -17.705 1.00 0.00 H new ATOM 0 HA3 GLY A 62 26.969 6.830 -17.954 1.00 0.00 H new ATOM 944 N HIS A 63 25.034 7.291 -15.347 1.00 0.00 N ATOM 945 CA HIS A 63 25.021 7.520 -13.911 1.00 0.00 C ATOM 946 C HIS A 63 25.749 6.376 -13.203 1.00 0.00 C ATOM 947 O HIS A 63 25.607 5.214 -13.582 1.00 0.00 O ATOM 948 CB HIS A 63 23.589 7.714 -13.405 1.00 0.00 C ATOM 949 CG HIS A 63 23.033 9.096 -13.654 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.738 9.569 -14.921 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.722 10.100 -12.786 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.271 10.803 -14.809 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.262 11.131 -13.485 1.00 0.00 N ATOM 0 H HIS A 63 24.132 7.032 -15.746 1.00 0.00 H new ATOM 0 HA HIS A 63 25.555 8.442 -13.681 1.00 0.00 H new ATOM 0 HB2 HIS A 63 22.942 6.981 -13.886 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.562 7.510 -12.335 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.860 9.054 -15.793 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.831 10.063 -11.712 1.00 0.00 H new ATOM 0 HE1 HIS A 63 21.953 11.438 -15.623 1.00 0.00 H new ATOM 961 N SER A 64 26.514 6.744 -12.185 1.00 0.00 N ATOM 962 CA SER A 64 27.265 5.764 -11.420 1.00 0.00 C ATOM 963 C SER A 64 26.361 5.115 -10.371 1.00 0.00 C ATOM 964 O SER A 64 25.240 5.567 -10.147 1.00 0.00 O ATOM 965 CB SER A 64 28.482 6.404 -10.749 1.00 0.00 C ATOM 966 OG SER A 64 29.664 6.249 -11.528 1.00 0.00 O ATOM 0 H SER A 64 26.629 7.708 -11.873 1.00 0.00 H new ATOM 0 HA SER A 64 27.624 4.997 -12.106 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.291 7.465 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 64 28.633 5.954 -9.768 1.00 0.00 H new ATOM 0 HG SER A 64 30.418 6.672 -11.067 1.00 0.00 H new ATOM 972 N THR A 65 26.883 4.063 -9.756 1.00 0.00 N ATOM 973 CA THR A 65 26.136 3.346 -8.735 1.00 0.00 C ATOM 974 C THR A 65 25.582 4.323 -7.696 1.00 0.00 C ATOM 975 O THR A 65 24.412 4.246 -7.327 1.00 0.00 O ATOM 976 CB THR A 65 27.056 2.280 -8.139 1.00 0.00 C ATOM 977 OG1 THR A 65 26.772 1.110 -8.902 1.00 0.00 O ATOM 978 CG2 THR A 65 26.660 1.898 -6.711 1.00 0.00 C ATOM 0 H THR A 65 27.813 3.690 -9.945 1.00 0.00 H new ATOM 0 HA THR A 65 25.266 2.844 -9.159 1.00 0.00 H new ATOM 0 HB THR A 65 28.084 2.642 -8.147 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.327 0.368 -8.583 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.345 1.138 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.709 2.779 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.644 1.504 -6.708 1.00 0.00 H new ATOM 986 N ASP A 66 26.451 5.219 -7.252 1.00 0.00 N ATOM 987 CA ASP A 66 26.064 6.209 -6.261 1.00 0.00 C ATOM 988 C ASP A 66 24.665 6.734 -6.590 1.00 0.00 C ATOM 989 O ASP A 66 23.847 6.934 -5.694 1.00 0.00 O ATOM 990 CB ASP A 66 27.027 7.398 -6.264 1.00 0.00 C ATOM 991 CG ASP A 66 26.746 8.462 -5.201 1.00 0.00 C ATOM 992 OD1 ASP A 66 26.239 8.071 -4.128 1.00 0.00 O ATOM 993 OD2 ASP A 66 27.043 9.642 -5.487 1.00 0.00 O ATOM 0 H ASP A 66 27.421 5.280 -7.560 1.00 0.00 H new ATOM 0 HA ASP A 66 26.084 5.731 -5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.041 7.025 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.994 7.870 -7.246 1.00 0.00 H new ATOM 998 N ALA A 67 24.434 6.941 -7.878 1.00 0.00 N ATOM 999 CA ALA A 67 23.148 7.438 -8.337 1.00 0.00 C ATOM 1000 C ALA A 67 22.086 6.355 -8.138 1.00 0.00 C ATOM 1001 O ALA A 67 21.002 6.630 -7.627 1.00 0.00 O ATOM 1002 CB ALA A 67 23.263 7.882 -9.797 1.00 0.00 C ATOM 0 H ALA A 67 25.116 6.774 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 67 22.843 8.308 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.298 8.255 -10.141 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.008 8.673 -9.879 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.565 7.034 -10.412 1.00 0.00 H new ATOM 1008 N ARG A 68 22.436 5.146 -8.553 1.00 0.00 N ATOM 1009 CA ARG A 68 21.526 4.020 -8.426 1.00 0.00 C ATOM 1010 C ARG A 68 20.835 4.046 -7.061 1.00 0.00 C ATOM 1011 O ARG A 68 19.623 3.854 -6.971 1.00 0.00 O ATOM 1012 CB ARG A 68 22.269 2.692 -8.588 1.00 0.00 C ATOM 1013 CG ARG A 68 21.292 1.551 -8.884 1.00 0.00 C ATOM 1014 CD ARG A 68 21.854 0.212 -8.403 1.00 0.00 C ATOM 1015 NE ARG A 68 21.287 -0.129 -7.079 1.00 0.00 N ATOM 1016 CZ ARG A 68 21.244 -1.370 -6.576 1.00 0.00 C ATOM 1017 NH1 ARG A 68 21.733 -2.397 -7.285 1.00 0.00 N ATOM 1018 NH2 ARG A 68 20.711 -1.585 -5.366 1.00 0.00 N ATOM 0 H ARG A 68 23.336 4.922 -8.977 1.00 0.00 H new ATOM 0 HA ARG A 68 20.780 4.106 -9.216 1.00 0.00 H new ATOM 0 HB2 ARG A 68 22.995 2.773 -9.397 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.828 2.470 -7.679 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.339 1.747 -8.393 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.096 1.504 -9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 68 21.616 -0.571 -9.122 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.941 0.266 -8.339 1.00 0.00 H new ATOM 0 HE ARG A 68 20.905 0.629 -6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 68 22.138 -2.233 -8.207 1.00 0.00 H new ATOM 0 HH12 ARG A 68 21.701 -3.342 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.338 -0.804 -4.827 1.00 0.00 H new ATOM 0 HH22 ARG A 68 20.679 -2.530 -4.984 1.00 0.00 H new ATOM 1032 N GLU A 69 21.634 4.287 -6.033 1.00 0.00 N ATOM 1033 CA GLU A 69 21.115 4.342 -4.677 1.00 0.00 C ATOM 1034 C GLU A 69 20.140 5.511 -4.529 1.00 0.00 C ATOM 1035 O GLU A 69 19.026 5.338 -4.038 1.00 0.00 O ATOM 1036 CB GLU A 69 22.251 4.442 -3.658 1.00 0.00 C ATOM 1037 CG GLU A 69 22.381 3.148 -2.852 1.00 0.00 C ATOM 1038 CD GLU A 69 21.270 3.040 -1.805 1.00 0.00 C ATOM 1039 OE1 GLU A 69 20.104 3.282 -2.188 1.00 0.00 O ATOM 1040 OE2 GLU A 69 21.611 2.719 -0.647 1.00 0.00 O ATOM 0 H GLU A 69 22.638 4.447 -6.112 1.00 0.00 H new ATOM 0 HA GLU A 69 20.574 3.417 -4.478 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.189 4.649 -4.173 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.066 5.278 -2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 69 22.337 2.291 -3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 69 23.353 3.118 -2.360 1.00 0.00 H new ATOM 1047 N LEU A 70 20.596 6.678 -4.961 1.00 0.00 N ATOM 1048 CA LEU A 70 19.778 7.876 -4.883 1.00 0.00 C ATOM 1049 C LEU A 70 18.510 7.679 -5.717 1.00 0.00 C ATOM 1050 O LEU A 70 17.408 7.625 -5.174 1.00 0.00 O ATOM 1051 CB LEU A 70 20.592 9.108 -5.285 1.00 0.00 C ATOM 1052 CG LEU A 70 21.345 9.812 -4.154 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.819 8.807 -3.102 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.498 10.653 -4.704 1.00 0.00 C ATOM 0 H LEU A 70 21.521 6.819 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 70 19.460 8.053 -3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.314 8.810 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.919 9.828 -5.750 1.00 0.00 H new ATOM 0 HG LEU A 70 20.656 10.496 -3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.351 9.333 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.958 8.290 -2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.486 8.081 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.017 11.143 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.195 10.009 -5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.105 11.408 -5.385 1.00 0.00 H new ATOM 1066 N SER A 71 18.709 7.577 -7.023 1.00 0.00 N ATOM 1067 CA SER A 71 17.596 7.388 -7.937 1.00 0.00 C ATOM 1068 C SER A 71 16.511 6.538 -7.272 1.00 0.00 C ATOM 1069 O SER A 71 15.357 6.954 -7.186 1.00 0.00 O ATOM 1070 CB SER A 71 18.058 6.732 -9.239 1.00 0.00 C ATOM 1071 OG SER A 71 18.968 5.661 -9.005 1.00 0.00 O ATOM 0 H SER A 71 19.625 7.622 -7.470 1.00 0.00 H new ATOM 0 HA SER A 71 17.184 8.367 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.191 6.358 -9.784 1.00 0.00 H new ATOM 0 HB3 SER A 71 18.534 7.480 -9.873 1.00 0.00 H new ATOM 0 HG SER A 71 19.759 6.000 -8.537 1.00 0.00 H new ATOM 1077 N LYS A 72 16.921 5.363 -6.817 1.00 0.00 N ATOM 1078 CA LYS A 72 15.998 4.452 -6.161 1.00 0.00 C ATOM 1079 C LYS A 72 15.377 5.146 -4.948 1.00 0.00 C ATOM 1080 O LYS A 72 14.157 5.162 -4.795 1.00 0.00 O ATOM 1081 CB LYS A 72 16.698 3.133 -5.823 1.00 0.00 C ATOM 1082 CG LYS A 72 16.197 2.000 -6.721 1.00 0.00 C ATOM 1083 CD LYS A 72 15.134 1.163 -6.006 1.00 0.00 C ATOM 1084 CE LYS A 72 13.734 1.495 -6.526 1.00 0.00 C ATOM 1085 NZ LYS A 72 13.180 0.354 -7.289 1.00 0.00 N ATOM 0 H LYS A 72 17.879 5.021 -6.890 1.00 0.00 H new ATOM 0 HA LYS A 72 15.180 4.191 -6.832 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.775 3.248 -5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 72 16.519 2.880 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.781 2.415 -7.639 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.033 1.363 -7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.339 0.103 -6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.181 1.349 -4.933 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.077 1.735 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.776 2.379 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.230 0.596 -7.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 13.799 0.144 -8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.121 -0.481 -6.672 1.00 0.00 H new ATOM 1099 N THR A 73 16.245 5.704 -4.117 1.00 0.00 N ATOM 1100 CA THR A 73 15.796 6.399 -2.922 1.00 0.00 C ATOM 1101 C THR A 73 14.867 7.556 -3.296 1.00 0.00 C ATOM 1102 O THR A 73 13.976 7.914 -2.527 1.00 0.00 O ATOM 1103 CB THR A 73 17.034 6.841 -2.139 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.102 5.923 -1.050 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.846 8.202 -1.467 1.00 0.00 C ATOM 0 H THR A 73 17.257 5.689 -4.247 1.00 0.00 H new ATOM 0 HA THR A 73 15.206 5.744 -2.281 1.00 0.00 H new ATOM 0 HB THR A 73 17.892 6.883 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.878 6.136 -0.491 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.753 8.469 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.642 8.957 -2.226 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.009 8.151 -0.771 1.00 0.00 H new ATOM 1113 N TYR A 74 15.108 8.109 -4.476 1.00 0.00 N ATOM 1114 CA TYR A 74 14.305 9.219 -4.960 1.00 0.00 C ATOM 1115 C TYR A 74 13.250 8.737 -5.958 1.00 0.00 C ATOM 1116 O TYR A 74 12.990 9.400 -6.961 1.00 0.00 O ATOM 1117 CB TYR A 74 15.275 10.160 -5.676 1.00 0.00 C ATOM 1118 CG TYR A 74 16.060 11.077 -4.736 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.223 10.628 -4.145 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.604 12.354 -4.478 1.00 0.00 C ATOM 1121 CE1 TYR A 74 17.962 11.492 -3.260 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.342 13.218 -3.594 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.484 12.744 -3.028 1.00 0.00 C ATOM 1124 OH TYR A 74 18.182 13.560 -2.193 1.00 0.00 O ATOM 0 H TYR A 74 15.848 7.809 -5.111 1.00 0.00 H new ATOM 0 HA TYR A 74 13.784 9.705 -4.135 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.979 9.565 -6.258 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.715 10.774 -6.382 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.580 9.629 -4.346 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.693 12.705 -4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.874 11.153 -2.792 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.997 14.220 -3.385 1.00 0.00 H new ATOM 0 HH TYR A 74 17.724 14.424 -2.121 1.00 0.00 H new ATOM 1134 N ILE A 75 12.670 7.586 -5.649 1.00 0.00 N ATOM 1135 CA ILE A 75 11.649 7.008 -6.505 1.00 0.00 C ATOM 1136 C ILE A 75 10.311 7.005 -5.766 1.00 0.00 C ATOM 1137 O ILE A 75 10.258 6.728 -4.569 1.00 0.00 O ATOM 1138 CB ILE A 75 12.083 5.625 -6.997 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.520 5.338 -8.390 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.700 4.541 -5.989 1.00 0.00 C ATOM 1141 CD1 ILE A 75 12.288 4.201 -9.068 1.00 0.00 C ATOM 0 H ILE A 75 12.888 7.038 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 75 11.516 7.613 -7.402 1.00 0.00 H new ATOM 0 HB ILE A 75 13.170 5.617 -7.081 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.465 5.074 -8.313 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.579 6.238 -9.003 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.019 3.568 -6.362 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.188 4.742 -5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.619 4.539 -5.850 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.868 4.017 -10.057 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.338 4.478 -9.166 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.206 3.297 -8.465 1.00 0.00 H new ATOM 1153 N ILE A 76 9.260 7.319 -6.510 1.00 0.00 N ATOM 1154 CA ILE A 76 7.923 7.356 -5.940 1.00 0.00 C ATOM 1155 C ILE A 76 7.003 6.437 -6.746 1.00 0.00 C ATOM 1156 O ILE A 76 6.136 5.772 -6.182 1.00 0.00 O ATOM 1157 CB ILE A 76 7.421 8.799 -5.846 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.846 9.267 -7.183 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.523 9.730 -5.337 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.950 9.806 -8.097 1.00 0.00 C ATOM 0 H ILE A 76 9.307 7.550 -7.502 1.00 0.00 H new ATOM 0 HA ILE A 76 7.935 6.979 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 76 6.610 8.833 -5.118 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.335 8.438 -7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.101 10.043 -7.011 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.141 10.749 -5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.844 9.406 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.371 9.699 -6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.514 10.132 -9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.442 10.650 -7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.681 9.020 -8.287 1.00 0.00 H new ATOM 1172 N GLY A 77 7.226 6.428 -8.052 1.00 0.00 N ATOM 1173 CA GLY A 77 6.427 5.601 -8.941 1.00 0.00 C ATOM 1174 C GLY A 77 6.699 5.950 -10.406 1.00 0.00 C ATOM 1175 O GLY A 77 7.562 6.775 -10.701 1.00 0.00 O ATOM 0 H GLY A 77 7.948 6.980 -8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.653 4.549 -8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.369 5.741 -8.720 1.00 0.00 H new ATOM 1179 N GLU A 78 5.948 5.303 -11.284 1.00 0.00 N ATOM 1180 CA GLU A 78 6.097 5.534 -12.711 1.00 0.00 C ATOM 1181 C GLU A 78 4.886 6.295 -13.255 1.00 0.00 C ATOM 1182 O GLU A 78 3.888 6.462 -12.556 1.00 0.00 O ATOM 1183 CB GLU A 78 6.299 4.216 -13.462 1.00 0.00 C ATOM 1184 CG GLU A 78 5.016 3.383 -13.463 1.00 0.00 C ATOM 1185 CD GLU A 78 5.318 1.910 -13.743 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.867 1.259 -12.829 1.00 0.00 O ATOM 1187 OE2 GLU A 78 4.995 1.468 -14.867 1.00 0.00 O ATOM 0 H GLU A 78 5.234 4.618 -11.035 1.00 0.00 H new ATOM 0 HA GLU A 78 6.986 6.144 -12.869 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.604 4.421 -14.488 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.105 3.648 -12.997 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.516 3.478 -12.499 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.330 3.767 -14.218 1.00 0.00 H new ATOM 1194 N LEU A 79 5.014 6.736 -14.498 1.00 0.00 N ATOM 1195 CA LEU A 79 3.943 7.476 -15.144 1.00 0.00 C ATOM 1196 C LEU A 79 3.241 6.568 -16.155 1.00 0.00 C ATOM 1197 O LEU A 79 3.849 5.646 -16.695 1.00 0.00 O ATOM 1198 CB LEU A 79 4.478 8.774 -15.750 1.00 0.00 C ATOM 1199 CG LEU A 79 5.096 8.659 -17.144 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.174 7.573 -17.179 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.016 8.428 -18.205 1.00 0.00 C ATOM 0 H LEU A 79 5.843 6.595 -15.075 1.00 0.00 H new ATOM 0 HA LEU A 79 3.194 7.779 -14.413 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.661 9.494 -15.795 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.228 9.185 -15.074 1.00 0.00 H new ATOM 0 HG LEU A 79 5.584 9.605 -17.380 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.597 7.512 -18.182 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.962 7.819 -16.467 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.732 6.613 -16.913 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.482 8.350 -19.187 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.480 7.505 -17.983 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.317 9.264 -18.201 1.00 0.00 H new ATOM 1213 N HIS A 80 1.968 6.861 -16.381 1.00 0.00 N ATOM 1214 CA HIS A 80 1.176 6.083 -17.319 1.00 0.00 C ATOM 1215 C HIS A 80 2.034 5.710 -18.529 1.00 0.00 C ATOM 1216 O HIS A 80 2.363 6.567 -19.348 1.00 0.00 O ATOM 1217 CB HIS A 80 -0.101 6.831 -17.705 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.329 5.956 -17.776 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.472 6.323 -18.464 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.579 4.727 -17.240 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.365 5.352 -18.340 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.811 4.364 -17.580 1.00 0.00 N ATOM 0 H HIS A 80 1.466 7.626 -15.931 1.00 0.00 H new ATOM 0 HA HIS A 80 0.854 5.155 -16.846 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.276 7.627 -16.981 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.049 7.308 -18.673 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.892 4.147 -16.641 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.357 5.344 -18.766 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.267 3.491 -17.316 1.00 0.00 H new ATOM 1230 N PRO A 81 2.380 4.397 -18.607 1.00 0.00 N ATOM 1231 CA PRO A 81 3.194 3.901 -19.704 1.00 0.00 C ATOM 1232 C PRO A 81 2.373 3.796 -20.991 1.00 0.00 C ATOM 1233 O PRO A 81 2.887 3.379 -22.027 1.00 0.00 O ATOM 1234 CB PRO A 81 3.723 2.559 -19.226 1.00 0.00 C ATOM 1235 CG PRO A 81 2.820 2.140 -18.077 1.00 0.00 C ATOM 1236 CD PRO A 81 2.008 3.355 -17.656 1.00 0.00 C ATOM 0 HA PRO A 81 4.016 4.571 -19.955 1.00 0.00 H new ATOM 0 HB2 PRO A 81 3.701 1.822 -20.029 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.759 2.642 -18.898 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.161 1.329 -18.386 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.413 1.769 -17.241 1.00 0.00 H new ATOM 0 HD2 PRO A 81 0.938 3.149 -17.693 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.240 3.651 -16.633 1.00 0.00 H new ATOM 1244 N ASP A 82 1.110 4.180 -20.882 1.00 0.00 N ATOM 1245 CA ASP A 82 0.213 4.135 -22.025 1.00 0.00 C ATOM 1246 C ASP A 82 0.516 5.312 -22.953 1.00 0.00 C ATOM 1247 O ASP A 82 0.595 5.144 -24.170 1.00 0.00 O ATOM 1248 CB ASP A 82 -1.248 4.246 -21.582 1.00 0.00 C ATOM 1249 CG ASP A 82 -2.278 3.953 -22.676 1.00 0.00 C ATOM 1250 OD1 ASP A 82 -1.849 3.471 -23.745 1.00 0.00 O ATOM 1251 OD2 ASP A 82 -3.472 4.218 -22.415 1.00 0.00 O ATOM 0 H ASP A 82 0.686 4.524 -20.020 1.00 0.00 H new ATOM 0 HA ASP A 82 0.365 3.184 -22.536 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.414 3.558 -20.753 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.421 5.252 -21.200 1.00 0.00 H new ATOM 1256 N ASP A 83 0.679 6.478 -22.346 1.00 0.00 N ATOM 1257 CA ASP A 83 0.971 7.682 -23.103 1.00 0.00 C ATOM 1258 C ASP A 83 2.488 7.853 -23.216 1.00 0.00 C ATOM 1259 O ASP A 83 2.966 8.731 -23.933 1.00 0.00 O ATOM 1260 CB ASP A 83 0.408 8.923 -22.406 1.00 0.00 C ATOM 1261 CG ASP A 83 -1.114 9.066 -22.470 1.00 0.00 C ATOM 1262 OD1 ASP A 83 -1.663 8.797 -23.560 1.00 0.00 O ATOM 1263 OD2 ASP A 83 -1.694 9.439 -21.428 1.00 0.00 O ATOM 0 H ASP A 83 0.614 6.614 -21.337 1.00 0.00 H new ATOM 0 HA ASP A 83 0.511 7.581 -24.086 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.712 8.903 -21.360 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.860 9.809 -22.853 1.00 0.00 H new ATOM 1268 N ARG A 84 3.202 6.998 -22.499 1.00 0.00 N ATOM 1269 CA ARG A 84 4.655 7.042 -22.510 1.00 0.00 C ATOM 1270 C ARG A 84 5.191 6.539 -23.852 1.00 0.00 C ATOM 1271 O ARG A 84 6.178 7.062 -24.365 1.00 0.00 O ATOM 1272 CB ARG A 84 5.240 6.189 -21.383 1.00 0.00 C ATOM 1273 CG ARG A 84 6.757 6.371 -21.290 1.00 0.00 C ATOM 1274 CD ARG A 84 7.458 5.024 -21.096 1.00 0.00 C ATOM 1275 NE ARG A 84 7.531 4.301 -22.385 1.00 0.00 N ATOM 1276 CZ ARG A 84 7.641 2.970 -22.494 1.00 0.00 C ATOM 1277 NH1 ARG A 84 7.694 2.209 -21.392 1.00 0.00 N ATOM 1278 NH2 ARG A 84 7.701 2.400 -23.705 1.00 0.00 N ATOM 0 H ARG A 84 2.802 6.271 -21.906 1.00 0.00 H new ATOM 0 HA ARG A 84 4.957 8.079 -22.360 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.778 6.465 -20.435 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.006 5.139 -21.558 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.126 6.850 -22.197 1.00 0.00 H new ATOM 0 HG3 ARG A 84 6.997 7.034 -20.459 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.461 5.181 -20.700 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.916 4.425 -20.364 1.00 0.00 H new ATOM 0 HE ARG A 84 7.495 4.850 -23.244 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.651 2.643 -20.470 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.778 1.196 -21.475 1.00 0.00 H new ATOM 0 HH21 ARG A 84 7.663 2.979 -24.544 1.00 0.00 H new ATOM 0 HH22 ARG A 84 7.785 1.387 -23.788 1.00 0.00 H new ATOM 1292 N SER A 85 4.514 5.530 -24.382 1.00 0.00 N ATOM 1293 CA SER A 85 4.911 4.951 -25.654 1.00 0.00 C ATOM 1294 C SER A 85 4.188 5.661 -26.801 1.00 0.00 C ATOM 1295 O SER A 85 3.666 5.013 -27.706 1.00 0.00 O ATOM 1296 CB SER A 85 4.616 3.449 -25.691 1.00 0.00 C ATOM 1297 OG SER A 85 5.033 2.854 -26.917 1.00 0.00 O ATOM 0 H SER A 85 3.694 5.100 -23.954 1.00 0.00 H new ATOM 0 HA SER A 85 5.986 5.087 -25.771 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.123 2.959 -24.859 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.547 3.286 -25.554 1.00 0.00 H new ATOM 0 HG SER A 85 4.477 3.192 -27.650 1.00 0.00 H new ATOM 1303 N LYS A 86 4.182 6.983 -26.724 1.00 0.00 N ATOM 1304 CA LYS A 86 3.532 7.789 -27.744 1.00 0.00 C ATOM 1305 C LYS A 86 4.445 7.890 -28.967 1.00 0.00 C ATOM 1306 O LYS A 86 3.980 8.157 -30.074 1.00 0.00 O ATOM 1307 CB LYS A 86 3.118 9.147 -27.172 1.00 0.00 C ATOM 1308 CG LYS A 86 1.782 9.605 -27.757 1.00 0.00 C ATOM 1309 CD LYS A 86 0.802 9.997 -26.649 1.00 0.00 C ATOM 1310 CE LYS A 86 -0.182 11.061 -27.140 1.00 0.00 C ATOM 1311 NZ LYS A 86 0.072 12.353 -26.464 1.00 0.00 N ATOM 0 H LYS A 86 4.617 7.517 -25.971 1.00 0.00 H new ATOM 0 HA LYS A 86 2.608 7.313 -28.073 1.00 0.00 H new ATOM 0 HB2 LYS A 86 3.040 9.080 -26.087 1.00 0.00 H new ATOM 0 HB3 LYS A 86 3.888 9.887 -27.391 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.944 10.454 -28.421 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.353 8.806 -28.361 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.254 9.116 -26.315 1.00 0.00 H new ATOM 0 HD3 LYS A 86 1.353 10.375 -25.788 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.086 11.183 -28.219 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.204 10.737 -26.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.604 13.064 -26.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.042 12.236 -25.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.041 12.668 -26.671 1.00 0.00 H new ATOM 1325 N ILE A 87 5.729 7.671 -28.726 1.00 0.00 N ATOM 1326 CA ILE A 87 6.713 7.733 -29.794 1.00 0.00 C ATOM 1327 C ILE A 87 6.718 6.406 -30.556 1.00 0.00 C ATOM 1328 O ILE A 87 6.553 6.385 -31.775 1.00 0.00 O ATOM 1329 CB ILE A 87 8.083 8.130 -29.239 1.00 0.00 C ATOM 1330 CG1 ILE A 87 8.189 9.647 -29.072 1.00 0.00 C ATOM 1331 CG2 ILE A 87 9.209 7.568 -30.109 1.00 0.00 C ATOM 1332 CD1 ILE A 87 7.472 10.109 -27.802 1.00 0.00 C ATOM 0 H ILE A 87 6.111 7.450 -27.806 1.00 0.00 H new ATOM 0 HA ILE A 87 6.448 8.511 -30.511 1.00 0.00 H new ATOM 0 HB ILE A 87 8.191 7.690 -28.248 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.238 9.939 -29.029 1.00 0.00 H new ATOM 0 HG13 ILE A 87 7.755 10.143 -29.940 1.00 0.00 H new ATOM 0 HG21 ILE A 87 10.172 7.864 -29.693 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.143 6.480 -30.132 1.00 0.00 H new ATOM 0 HG23 ILE A 87 9.115 7.959 -31.122 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.562 11.191 -27.706 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.418 9.836 -27.859 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.924 9.629 -26.934 1.00 0.00 H new ATOM 1344 N ALA A 88 6.906 5.331 -29.805 1.00 0.00 N ATOM 1345 CA ALA A 88 6.935 4.003 -30.394 1.00 0.00 C ATOM 1346 C ALA A 88 5.847 3.901 -31.464 1.00 0.00 C ATOM 1347 O ALA A 88 6.142 3.669 -32.635 1.00 0.00 O ATOM 1348 CB ALA A 88 6.772 2.953 -29.293 1.00 0.00 C ATOM 0 H ALA A 88 7.040 5.352 -28.794 1.00 0.00 H new ATOM 0 HA ALA A 88 7.893 3.819 -30.880 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.794 1.957 -29.734 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.586 3.050 -28.575 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.820 3.104 -28.784 1.00 0.00 H new TER 1354 ALA A 88 HETATM 1355 FE HEM A 95 22.586 12.811 -12.678 1.00 0.00 FE HETATM 1356 CHA HEM A 95 25.938 12.939 -12.887 1.00 0.00 C HETATM 1357 CHB HEM A 95 22.830 11.365 -9.614 1.00 0.00 C HETATM 1358 CHC HEM A 95 19.217 12.713 -12.475 1.00 0.00 C HETATM 1359 CHD HEM A 95 22.325 14.284 -15.746 1.00 0.00 C HETATM 1360 NA HEM A 95 24.107 12.258 -11.506 1.00 0.00 N HETATM 1361 C1A HEM A 95 25.437 12.413 -11.777 1.00 0.00 C HETATM 1362 C2A HEM A 95 26.205 11.881 -10.655 1.00 0.00 C HETATM 1363 C3A HEM A 95 25.324 11.447 -9.738 1.00 0.00 C HETATM 1364 C4A HEM A 95 24.013 11.694 -10.265 1.00 0.00 C HETATM 1365 CMA HEM A 95 25.686 10.779 -8.420 1.00 0.00 C HETATM 1366 CAA HEM A 95 27.637 11.239 -10.700 1.00 0.00 C HETATM 1367 CBA HEM A 95 28.567 11.363 -11.930 1.00 0.00 C HETATM 1368 CGA HEM A 95 27.969 10.762 -13.195 1.00 0.00 C HETATM 1369 O1A HEM A 95 28.603 10.869 -14.274 1.00 0.00 O HETATM 1370 O2A HEM A 95 26.866 10.165 -13.125 1.00 0.00 O HETATM 1371 NB HEM A 95 21.274 12.162 -11.328 1.00 0.00 N HETATM 1372 C1B HEM A 95 21.570 11.591 -10.127 1.00 0.00 C HETATM 1373 C2B HEM A 95 20.349 11.256 -9.414 1.00 0.00 C HETATM 1374 C3B HEM A 95 19.334 11.630 -10.209 1.00 0.00 C HETATM 1375 C4B HEM A 95 19.909 12.222 -11.417 1.00 0.00 C HETATM 1376 CMB HEM A 95 20.205 10.591 -8.055 1.00 0.00 C HETATM 1377 CAB HEM A 95 17.865 11.472 -9.902 1.00 0.00 C HETATM 1378 CBB HEM A 95 17.175 10.483 -9.703 1.00 0.00 C HETATM 1379 NC HEM A 95 21.063 13.397 -13.867 1.00 0.00 N HETATM 1380 C1C HEM A 95 19.731 13.257 -13.603 1.00 0.00 C HETATM 1381 C2C HEM A 95 18.950 13.767 -14.706 1.00 0.00 C HETATM 1382 C3C HEM A 95 19.854 14.242 -15.640 1.00 0.00 C HETATM 1383 C4C HEM A 95 21.159 13.980 -15.116 1.00 0.00 C HETATM 1384 CMC HEM A 95 17.465 13.840 -14.853 1.00 0.00 C HETATM 1385 CAC HEM A 95 19.470 14.871 -16.940 1.00 0.00 C HETATM 1386 CBC HEM A 95 18.561 15.432 -17.205 1.00 0.00 C HETATM 1387 ND HEM A 95 23.897 13.485 -14.041 1.00 0.00 N HETATM 1388 C1D HEM A 95 23.593 14.063 -15.259 1.00 0.00 C HETATM 1389 C2D HEM A 95 24.848 14.404 -15.960 1.00 0.00 C HETATM 1390 C3D HEM A 95 25.820 14.020 -15.149 1.00 0.00 C HETATM 1391 C4D HEM A 95 25.244 13.452 -13.954 1.00 0.00 C HETATM 1392 CMD HEM A 95 24.949 15.057 -17.304 1.00 0.00 C HETATM 1393 CAD HEM A 95 27.407 14.312 -15.161 1.00 0.00 C HETATM 1394 CBD HEM A 95 27.677 15.777 -15.580 1.00 0.00 C HETATM 1395 CGD HEM A 95 28.855 16.374 -14.812 1.00 0.00 C HETATM 1396 O1D HEM A 95 29.170 16.088 -13.658 1.00 0.00 O HETATM 1397 O2D HEM A 95 29.285 17.445 -15.465 1.00 0.00 O HETATM 0 HMA1 HEM A 95 24.901 10.968 -7.688 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 26.629 11.185 -8.053 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 25.788 9.705 -8.573 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 19.290 10.939 -7.575 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 21.062 10.847 -7.432 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 20.159 9.509 -8.182 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 17.004 13.022 -14.300 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 17.199 13.760 -15.907 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 17.107 14.791 -14.460 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 24.086 14.780 -17.909 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 25.861 14.727 -17.801 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 24.973 16.140 -17.182 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 16.111 10.594 -9.494 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 17.624 9.490 -9.734 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 18.439 15.828 -18.213 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 17.782 15.592 -16.459 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 29.514 10.869 -11.713 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 28.789 12.416 -12.105 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 27.506 10.173 -10.514 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 28.187 11.645 -9.851 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 26.785 16.377 -15.402 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 27.881 15.818 -16.650 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 27.904 13.631 -15.852 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 27.826 14.126 -14.172 1.00 0.00 H new HETATM 0 HHA HEM A 95 27.015 12.967 -12.959 1.00 0.00 H new HETATM 0 HHB HEM A 95 22.902 10.901 -8.641 1.00 0.00 H new HETATM 0 HHC HEM A 95 18.140 12.665 -12.411 1.00 0.00 H new HETATM 0 HHD HEM A 95 22.249 14.742 -16.721 1.00 0.00 H new HETATM 0 HAB HEM A 95 17.318 12.414 -9.848 1.00 0.00 H new HETATM 0 HAC HEM A 95 20.197 14.757 -17.744 1.00 0.00 H new