USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 659 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 201 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 201 HEMFE :(H bumps) USER MOD Set 1.1: A 64 SER OG : rot 180:sc=8.32e-05 USER MOD Set 1.2: A 65 THR OG1 : rot 61:sc= 1.29 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.634 K(o=-0.6,f=-6.3) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.0603 K(o=-0.6,f=-6.2!) USER MOD Set 2.3: A 61 HIS : no HD1:sc= -0.786 X(o=-0.6,f=-0.83) USER MOD Set 2.4: A 201 HEM CMD :methyl -30:sc= -0.512 (180deg=-0.653) USER MOD Set 3.1: A 15 HIS : no HD1:sc= -0.563 K(o=0.44,f=-8.2!) USER MOD Set 3.2: A 20 SER OG : rot 165:sc= 1 USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.18) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 2.34 (180deg=2.34) USER MOD Single : A 16 ASN : amide:sc= 0.795 K(o=0.8,f=-2.3!) USER MOD Single : A 17 ASN : amide:sc= 1.08 K(o=1.1,f=-0.12) 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 21 THR OG1 : rot -90:sc= -0.185 USER MOD Single : A 26 HIS : no HD1:sc= -0.296 X(o=-0.3,f=-0.047) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -166:sc= 1.26 (180deg=1.05) USER MOD Single : A 30 TYR OH : rot 25:sc= 1.14 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 73:sc= 1.98 USER MOD Single : A 71 SER OG : rot -72:sc= 0.971 USER MOD Single : A 72 LYS NZ :NH3+ -134:sc= 0.587 (180deg=-3.85!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 80 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.2) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0244 (180deg=-0.0276) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.651 (180deg=-3.27!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.066 (180deg=-0.066) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -3.792 19.963 4.007 1.00 10.00 N ATOM 2 CA ALA A 3 -4.856 19.542 3.078 1.00 10.00 C ATOM 3 C ALA A 3 -4.793 18.023 2.945 1.00 10.00 C ATOM 4 O ALA A 3 -3.901 17.429 3.545 1.00 10.00 O ATOM 5 CB ALA A 3 -6.231 20.020 3.562 1.00 10.00 C ATOM 0 HA ALA A 3 -4.704 19.996 2.099 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -6.997 19.696 2.858 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -6.438 19.596 4.545 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -6.236 21.108 3.628 1.00 10.00 H new ATOM 13 N VAL A 4 -5.705 17.426 2.179 1.00 10.00 N ATOM 14 CA VAL A 4 -5.776 16.001 1.884 1.00 10.00 C ATOM 15 C VAL A 4 -6.263 15.893 0.436 1.00 10.00 C ATOM 16 O VAL A 4 -6.591 16.921 -0.160 1.00 10.00 O ATOM 17 CB VAL A 4 -6.723 15.293 2.874 1.00 10.00 C ATOM 18 CG1 VAL A 4 -6.196 15.357 4.312 1.00 10.00 C ATOM 19 CG2 VAL A 4 -8.157 15.825 2.820 1.00 10.00 C ATOM 0 H VAL A 4 -6.451 17.953 1.725 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.809 15.510 1.995 1.00 10.00 H new ATOM 0 HB VAL A 4 -6.749 14.251 2.554 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.892 14.847 4.978 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -5.222 14.871 4.364 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.099 16.399 4.618 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.773 15.286 3.540 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -8.160 16.887 3.064 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.561 15.681 1.818 1.00 10.00 H new ATOM 29 N LYS A 5 -6.318 14.687 -0.131 1.00 10.00 N ATOM 30 CA LYS A 5 -6.894 14.438 -1.449 1.00 10.00 C ATOM 31 C LYS A 5 -8.200 13.672 -1.288 1.00 10.00 C ATOM 32 O LYS A 5 -9.173 13.926 -1.990 1.00 10.00 O ATOM 33 CB LYS A 5 -5.931 13.609 -2.305 1.00 10.00 C ATOM 34 CG LYS A 5 -4.614 14.344 -2.568 1.00 10.00 C ATOM 35 CD LYS A 5 -3.835 13.572 -3.640 1.00 10.00 C ATOM 36 CE LYS A 5 -2.471 14.195 -3.957 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.539 14.085 -2.819 1.00 10.00 N ATOM 0 H LYS A 5 -5.958 13.846 0.320 1.00 10.00 H new ATOM 0 HA LYS A 5 -7.075 15.394 -1.941 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.724 12.663 -1.804 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.407 13.368 -3.255 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -4.809 15.364 -2.901 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.029 14.414 -1.651 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -3.690 12.545 -3.306 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -4.429 13.529 -4.553 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.040 13.702 -4.828 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.603 15.245 -4.218 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -0.634 14.533 -3.067 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.946 14.563 -1.990 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -1.379 13.082 -2.597 1.00 10.00 H new ATOM 51 N TYR A 6 -8.168 12.692 -0.390 1.00 10.00 N ATOM 52 CA TYR A 6 -9.098 11.601 -0.302 1.00 10.00 C ATOM 53 C TYR A 6 -9.502 11.023 -1.657 1.00 10.00 C ATOM 54 O TYR A 6 -10.628 11.118 -2.142 1.00 10.00 O ATOM 55 CB TYR A 6 -10.265 11.887 0.614 1.00 10.00 C ATOM 56 CG TYR A 6 -10.063 11.751 2.100 1.00 10.00 C ATOM 57 CD1 TYR A 6 -9.978 10.453 2.608 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.033 12.842 2.979 1.00 10.00 C ATOM 59 CE1 TYR A 6 -9.668 10.223 3.947 1.00 10.00 C ATOM 60 CE2 TYR A 6 -9.760 12.622 4.345 1.00 10.00 C ATOM 61 CZ TYR A 6 -9.541 11.313 4.822 1.00 10.00 C ATOM 62 OH TYR A 6 -9.149 11.106 6.112 1.00 10.00 O ATOM 0 H TYR A 6 -7.447 12.647 0.330 1.00 10.00 H new ATOM 0 HA TYR A 6 -8.547 10.794 0.182 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.599 12.906 0.417 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -11.081 11.223 0.328 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -10.155 9.613 1.952 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -10.217 13.842 2.614 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -9.527 9.215 4.308 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -9.719 13.458 5.027 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.110 11.964 6.584 1.00 10.00 H new ATOM 72 N TYR A 7 -8.520 10.312 -2.178 1.00 10.00 N ATOM 73 CA TYR A 7 -8.613 9.226 -3.115 1.00 10.00 C ATOM 74 C TYR A 7 -9.787 8.280 -2.845 1.00 10.00 C ATOM 75 O TYR A 7 -9.997 7.811 -1.731 1.00 10.00 O ATOM 76 CB TYR A 7 -7.287 8.476 -2.958 1.00 10.00 C ATOM 77 CG TYR A 7 -6.133 8.919 -3.848 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.347 9.632 -5.049 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.831 8.857 -3.320 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.311 10.392 -5.619 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.782 9.556 -3.935 1.00 10.00 C ATOM 82 CZ TYR A 7 -4.017 10.321 -5.085 1.00 10.00 C ATOM 83 OH TYR A 7 -3.007 11.054 -5.632 1.00 10.00 O ATOM 0 H TYR A 7 -7.550 10.504 -1.928 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.790 9.606 -4.121 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.968 8.566 -1.920 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.472 7.418 -3.144 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.312 9.593 -5.532 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.638 8.268 -2.436 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.512 11.030 -6.467 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.787 9.504 -3.519 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.177 10.887 -5.139 1.00 10.00 H new ATOM 93 N THR A 8 -10.538 7.960 -3.895 1.00 10.00 N ATOM 94 CA THR A 8 -11.729 7.131 -3.783 1.00 10.00 C ATOM 95 C THR A 8 -11.380 5.652 -3.921 1.00 10.00 C ATOM 96 O THR A 8 -10.391 5.300 -4.559 1.00 10.00 O ATOM 97 CB THR A 8 -12.773 7.551 -4.822 1.00 10.00 C ATOM 98 OG1 THR A 8 -12.247 7.436 -6.129 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.235 8.984 -4.555 1.00 10.00 C ATOM 0 H THR A 8 -10.336 8.269 -4.846 1.00 10.00 H new ATOM 0 HA THR A 8 -12.157 7.278 -2.792 1.00 10.00 H new ATOM 0 HB THR A 8 -13.633 6.886 -4.740 1.00 10.00 H new ATOM 0 HG1 THR A 8 -12.927 7.706 -6.780 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.977 9.272 -5.300 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.677 9.045 -3.560 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.381 9.659 -4.614 1.00 10.00 H new ATOM 107 N LEU A 9 -12.216 4.777 -3.355 1.00 10.00 N ATOM 108 CA LEU A 9 -12.072 3.335 -3.501 1.00 10.00 C ATOM 109 C LEU A 9 -11.953 2.923 -4.966 1.00 10.00 C ATOM 110 O LEU A 9 -11.112 2.088 -5.276 1.00 10.00 O ATOM 111 CB LEU A 9 -13.163 2.615 -2.702 1.00 10.00 C ATOM 112 CG LEU A 9 -13.501 1.178 -3.148 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.944 0.349 -1.937 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.633 1.146 -4.183 1.00 10.00 C ATOM 0 H LEU A 9 -13.013 5.055 -2.782 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.127 3.012 -3.065 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.858 2.586 -1.656 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.074 3.212 -2.752 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.599 0.765 -3.600 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -14.182 -0.665 -2.258 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.139 0.318 -1.203 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.827 0.804 -1.488 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.837 0.114 -4.468 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.532 1.588 -3.753 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -14.336 1.714 -5.065 1.00 10.00 H new ATOM 126 N GLU A 10 -12.726 3.535 -5.870 1.00 10.00 N ATOM 127 CA GLU A 10 -12.585 3.289 -7.304 1.00 10.00 C ATOM 128 C GLU A 10 -11.116 3.387 -7.710 1.00 10.00 C ATOM 129 O GLU A 10 -10.528 2.440 -8.237 1.00 10.00 O ATOM 130 CB GLU A 10 -13.411 4.300 -8.117 1.00 10.00 C ATOM 131 CG GLU A 10 -13.183 4.060 -9.619 1.00 10.00 C ATOM 132 CD GLU A 10 -14.030 4.927 -10.536 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.156 5.282 -10.135 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.510 5.206 -11.642 1.00 10.00 O ATOM 0 H GLU A 10 -13.456 4.205 -5.630 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.955 2.286 -7.514 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.469 4.196 -7.878 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -13.123 5.317 -7.853 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -12.131 4.235 -9.845 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -13.387 3.013 -9.841 1.00 10.00 H new ATOM 141 N GLU A 11 -10.542 4.563 -7.467 1.00 10.00 N ATOM 142 CA GLU A 11 -9.167 4.835 -7.830 1.00 10.00 C ATOM 143 C GLU A 11 -8.266 3.845 -7.142 1.00 10.00 C ATOM 144 O GLU A 11 -7.344 3.306 -7.745 1.00 10.00 O ATOM 145 CB GLU A 11 -8.740 6.236 -7.379 1.00 10.00 C ATOM 146 CG GLU A 11 -9.412 7.363 -8.176 1.00 10.00 C ATOM 147 CD GLU A 11 -9.023 7.350 -9.647 1.00 10.00 C ATOM 148 OE1 GLU A 11 -8.007 7.993 -9.976 1.00 10.00 O ATOM 149 OE2 GLU A 11 -9.752 6.694 -10.424 1.00 10.00 O ATOM 0 H GLU A 11 -11.019 5.344 -7.016 1.00 10.00 H new ATOM 0 HA GLU A 11 -9.089 4.761 -8.915 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.976 6.357 -6.322 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.658 6.327 -7.476 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.494 7.269 -8.089 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -9.139 8.324 -7.740 1.00 10.00 H new ATOM 156 N ILE A 12 -8.502 3.637 -5.853 1.00 10.00 N ATOM 157 CA ILE A 12 -7.579 2.835 -5.103 1.00 10.00 C ATOM 158 C ILE A 12 -7.528 1.435 -5.713 1.00 10.00 C ATOM 159 O ILE A 12 -6.446 0.964 -6.053 1.00 10.00 O ATOM 160 CB ILE A 12 -7.943 2.856 -3.607 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.762 4.264 -3.007 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.091 1.857 -2.826 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.612 4.490 -1.753 1.00 10.00 C ATOM 0 H ILE A 12 -9.298 4.003 -5.331 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.570 3.244 -5.162 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.992 2.573 -3.525 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.711 4.416 -2.760 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -8.024 5.010 -3.757 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.366 1.890 -1.772 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.261 0.853 -3.214 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.037 2.115 -2.934 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.443 5.498 -1.376 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.666 4.368 -2.001 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.333 3.765 -0.989 1.00 10.00 H new ATOM 175 N GLN A 13 -8.697 0.824 -5.918 1.00 10.00 N ATOM 176 CA GLN A 13 -8.833 -0.488 -6.544 1.00 10.00 C ATOM 177 C GLN A 13 -8.081 -0.501 -7.875 1.00 10.00 C ATOM 178 O GLN A 13 -7.267 -1.377 -8.157 1.00 10.00 O ATOM 179 CB GLN A 13 -10.319 -0.780 -6.803 1.00 10.00 C ATOM 180 CG GLN A 13 -11.127 -1.037 -5.518 1.00 10.00 C ATOM 181 CD GLN A 13 -11.222 -2.506 -5.119 1.00 10.00 C ATOM 182 OE1 GLN A 13 -11.328 -3.346 -6.039 1.00 10.00 O ATOM 183 NE2 GLN A 13 -11.256 -2.754 -3.893 1.00 10.00 N ATOM 0 H GLN A 13 -9.590 1.237 -5.648 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.418 -1.248 -5.882 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.759 0.062 -7.337 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.402 -1.649 -7.455 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.672 -0.479 -4.699 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -12.135 -0.643 -5.651 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -11.160 -1.997 -3.217 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -11.380 -3.714 -3.570 1.00 10.00 H new ATOM 190 N LYS A 14 -8.383 0.503 -8.692 1.00 10.00 N ATOM 191 CA LYS A 14 -7.837 0.698 -10.021 1.00 10.00 C ATOM 192 C LYS A 14 -6.298 0.758 -9.989 1.00 10.00 C ATOM 193 O LYS A 14 -5.624 0.196 -10.854 1.00 10.00 O ATOM 194 CB LYS A 14 -8.540 1.961 -10.549 1.00 10.00 C ATOM 195 CG LYS A 14 -8.046 2.620 -11.838 1.00 10.00 C ATOM 196 CD LYS A 14 -8.761 3.963 -12.089 1.00 10.00 C ATOM 197 CE LYS A 14 -10.296 3.868 -12.188 1.00 10.00 C ATOM 198 NZ LYS A 14 -10.936 5.199 -12.208 1.00 10.00 N ATOM 0 H LYS A 14 -9.045 1.233 -8.429 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.027 -0.132 -10.701 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.592 1.713 -10.693 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -8.495 2.713 -9.761 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -6.970 2.784 -11.776 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.218 1.950 -12.681 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -8.505 4.651 -11.284 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -8.377 4.396 -13.013 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.567 3.322 -13.092 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -10.678 3.295 -11.343 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -11.968 5.087 -12.275 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -10.700 5.711 -11.334 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.592 5.737 -13.029 1.00 10.00 H new ATOM 212 N HIS A 15 -5.721 1.435 -8.998 1.00 10.00 N ATOM 213 CA HIS A 15 -4.284 1.641 -8.888 1.00 10.00 C ATOM 214 C HIS A 15 -3.550 0.427 -8.299 1.00 10.00 C ATOM 215 O HIS A 15 -2.957 0.486 -7.223 1.00 10.00 O ATOM 216 CB HIS A 15 -4.020 2.905 -8.075 1.00 10.00 C ATOM 217 CG HIS A 15 -4.084 4.176 -8.880 1.00 10.00 C ATOM 218 ND1 HIS A 15 -3.016 5.000 -9.144 1.00 10.00 N ATOM 219 CD2 HIS A 15 -5.167 4.677 -9.550 1.00 10.00 C ATOM 220 CE1 HIS A 15 -3.444 5.972 -9.965 1.00 10.00 C ATOM 221 NE2 HIS A 15 -4.745 5.811 -10.250 1.00 10.00 N ATOM 0 H HIS A 15 -6.251 1.862 -8.238 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.882 1.765 -9.894 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.748 2.963 -7.266 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -3.036 2.829 -7.613 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -6.167 4.270 -9.540 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -2.826 6.773 -10.344 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -5.314 6.400 -10.858 1.00 10.00 H new ATOM 229 N ASN A 16 -3.505 -0.664 -9.056 1.00 10.00 N ATOM 230 CA ASN A 16 -2.762 -1.872 -8.677 1.00 10.00 C ATOM 231 C ASN A 16 -2.195 -2.614 -9.886 1.00 10.00 C ATOM 232 O ASN A 16 -2.060 -3.837 -9.875 1.00 10.00 O ATOM 233 CB ASN A 16 -3.635 -2.774 -7.797 1.00 10.00 C ATOM 234 CG ASN A 16 -4.828 -3.404 -8.511 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.042 -3.202 -9.704 1.00 10.00 O ATOM 236 ND2 ASN A 16 -5.612 -4.183 -7.773 1.00 10.00 N ATOM 0 H ASN A 16 -3.983 -0.741 -9.954 1.00 10.00 H new ATOM 0 HA ASN A 16 -1.896 -1.563 -8.092 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -3.013 -3.570 -7.387 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -4.002 -2.190 -6.953 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -6.423 -4.636 -8.194 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -5.403 -4.328 -6.785 1.00 10.00 H new ATOM 243 N ASN A 17 -1.844 -1.867 -10.936 1.00 10.00 N ATOM 244 CA ASN A 17 -1.699 -2.419 -12.286 1.00 10.00 C ATOM 245 C ASN A 17 -0.259 -2.324 -12.809 1.00 10.00 C ATOM 246 O ASN A 17 -0.039 -2.276 -14.016 1.00 10.00 O ATOM 247 CB ASN A 17 -2.716 -1.734 -13.219 1.00 10.00 C ATOM 248 CG ASN A 17 -3.185 -2.629 -14.369 1.00 10.00 C ATOM 249 OD1 ASN A 17 -4.357 -2.981 -14.449 1.00 10.00 O ATOM 250 ND2 ASN A 17 -2.300 -3.006 -15.285 1.00 10.00 N ATOM 0 H ASN A 17 -1.653 -0.867 -10.875 1.00 10.00 H new ATOM 0 HA ASN A 17 -1.916 -3.487 -12.256 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.582 -1.423 -12.634 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -2.268 -0.830 -13.631 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -2.593 -3.594 -16.065 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -1.328 -2.707 -15.208 1.00 10.00 H new ATOM 257 N SER A 18 0.735 -2.295 -11.915 1.00 10.00 N ATOM 258 CA SER A 18 2.151 -2.196 -12.282 1.00 10.00 C ATOM 259 C SER A 18 2.363 -0.838 -12.957 1.00 10.00 C ATOM 260 O SER A 18 2.786 -0.716 -14.105 1.00 10.00 O ATOM 261 CB SER A 18 2.593 -3.393 -13.141 1.00 10.00 C ATOM 262 OG SER A 18 3.999 -3.550 -13.096 1.00 10.00 O ATOM 0 H SER A 18 0.578 -2.340 -10.908 1.00 10.00 H new ATOM 0 HA SER A 18 2.788 -2.245 -11.399 1.00 10.00 H new ATOM 0 HB2 SER A 18 2.109 -4.302 -12.783 1.00 10.00 H new ATOM 0 HB3 SER A 18 2.272 -3.245 -14.172 1.00 10.00 H new ATOM 0 HG SER A 18 4.260 -4.317 -13.647 1.00 10.00 H new ATOM 268 N LYS A 19 1.955 0.187 -12.214 1.00 10.00 N ATOM 269 CA LYS A 19 1.692 1.540 -12.676 1.00 10.00 C ATOM 270 C LYS A 19 1.647 2.424 -11.434 1.00 10.00 C ATOM 271 O LYS A 19 2.397 3.387 -11.306 1.00 10.00 O ATOM 272 CB LYS A 19 0.327 1.572 -13.388 1.00 10.00 C ATOM 273 CG LYS A 19 0.304 1.075 -14.841 1.00 10.00 C ATOM 274 CD LYS A 19 1.290 1.825 -15.747 1.00 10.00 C ATOM 275 CE LYS A 19 1.071 1.425 -17.212 1.00 10.00 C ATOM 276 NZ LYS A 19 2.061 2.057 -18.108 1.00 10.00 N ATOM 0 H LYS A 19 1.790 0.085 -11.213 1.00 10.00 H new ATOM 0 HA LYS A 19 2.457 1.884 -13.373 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -0.374 0.970 -12.810 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -0.043 2.597 -13.371 1.00 10.00 H new ATOM 0 HG2 LYS A 19 0.540 0.011 -14.859 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -0.704 1.185 -15.241 1.00 10.00 H new ATOM 0 HD2 LYS A 19 1.155 2.901 -15.632 1.00 10.00 H new ATOM 0 HD3 LYS A 19 2.314 1.598 -15.449 1.00 10.00 H new ATOM 0 HE2 LYS A 19 1.136 0.341 -17.306 1.00 10.00 H new ATOM 0 HE3 LYS A 19 0.066 1.712 -17.521 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 1.880 1.762 -19.089 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 1.982 3.092 -18.037 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 3.019 1.763 -17.830 1.00 10.00 H new ATOM 290 N SER A 20 0.783 2.015 -10.509 1.00 10.00 N ATOM 291 CA SER A 20 0.732 2.374 -9.121 1.00 10.00 C ATOM 292 C SER A 20 0.539 1.027 -8.438 1.00 10.00 C ATOM 293 O SER A 20 -0.140 0.163 -9.001 1.00 10.00 O ATOM 294 CB SER A 20 -0.500 3.225 -8.855 1.00 10.00 C ATOM 295 OG SER A 20 -0.232 4.601 -9.027 1.00 10.00 O ATOM 0 H SER A 20 0.037 1.363 -10.750 1.00 10.00 H new ATOM 0 HA SER A 20 1.607 2.932 -8.787 1.00 10.00 H new ATOM 0 HB2 SER A 20 -1.303 2.924 -9.528 1.00 10.00 H new ATOM 0 HB3 SER A 20 -0.853 3.047 -7.839 1.00 10.00 H new ATOM 0 HG SER A 20 -1.077 5.095 -9.079 1.00 10.00 H new ATOM 301 N THR A 21 1.137 0.847 -7.268 1.00 10.00 N ATOM 302 CA THR A 21 0.733 -0.170 -6.309 1.00 10.00 C ATOM 303 C THR A 21 0.153 0.536 -5.082 1.00 10.00 C ATOM 304 O THR A 21 0.881 0.746 -4.114 1.00 10.00 O ATOM 305 CB THR A 21 1.967 -0.991 -5.932 1.00 10.00 C ATOM 306 OG1 THR A 21 2.515 -1.530 -7.112 1.00 10.00 O ATOM 307 CG2 THR A 21 1.636 -2.134 -4.965 1.00 10.00 C ATOM 0 H THR A 21 1.927 1.411 -6.955 1.00 10.00 H new ATOM 0 HA THR A 21 -0.022 -0.837 -6.726 1.00 10.00 H new ATOM 0 HB THR A 21 2.673 -0.332 -5.426 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.114 -2.407 -7.288 1.00 10.00 H new ATOM 0 HG21 THR A 21 2.546 -2.686 -4.729 1.00 10.00 H new ATOM 0 HG22 THR A 21 1.212 -1.724 -4.048 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.914 -2.806 -5.429 1.00 10.00 H new ATOM 315 N TRP A 22 -1.131 0.908 -5.123 1.00 10.00 N ATOM 316 CA TRP A 22 -1.805 1.571 -4.011 1.00 10.00 C ATOM 317 C TRP A 22 -2.241 0.532 -2.989 1.00 10.00 C ATOM 318 O TRP A 22 -2.548 -0.590 -3.363 1.00 10.00 O ATOM 319 CB TRP A 22 -2.994 2.409 -4.510 1.00 10.00 C ATOM 320 CG TRP A 22 -2.619 3.713 -5.144 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.392 4.012 -5.599 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.434 4.880 -5.461 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.400 5.211 -6.266 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.652 5.791 -6.234 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.752 5.269 -5.163 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.191 6.975 -6.764 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.325 6.407 -5.749 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.562 7.230 -6.593 1.00 10.00 C ATOM 0 H TRP A 22 -1.731 0.755 -5.934 1.00 10.00 H new ATOM 0 HA TRP A 22 -1.110 2.259 -3.529 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.559 1.819 -5.232 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.659 2.607 -3.670 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.518 3.393 -5.459 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.587 5.620 -6.726 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.334 4.680 -4.470 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.563 7.676 -7.293 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.358 6.652 -5.550 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -5.028 8.057 -7.109 1.00 10.00 H new ATOM 339 N LEU A 23 -2.304 0.883 -1.707 1.00 10.00 N ATOM 340 CA LEU A 23 -2.970 0.073 -0.696 1.00 10.00 C ATOM 341 C LEU A 23 -3.464 0.987 0.414 1.00 10.00 C ATOM 342 O LEU A 23 -2.986 2.119 0.517 1.00 10.00 O ATOM 343 CB LEU A 23 -2.107 -1.076 -0.129 1.00 10.00 C ATOM 344 CG LEU A 23 -0.597 -1.111 -0.437 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.209 -1.002 0.859 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.205 -2.422 -1.126 1.00 10.00 C ATOM 0 H LEU A 23 -1.892 1.741 -1.341 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.806 -0.428 -1.184 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.220 -1.065 0.955 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.535 -2.013 -0.485 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.380 -0.270 -1.096 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.274 -1.028 0.628 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.031 -0.064 1.359 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -0.041 -1.837 1.514 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.865 -2.419 -1.331 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.447 -3.262 -0.475 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.754 -2.519 -2.063 1.00 10.00 H new ATOM 358 N ILE A 24 -4.412 0.493 1.223 1.00 10.00 N ATOM 359 CA ILE A 24 -4.935 1.212 2.379 1.00 10.00 C ATOM 360 C ILE A 24 -4.377 0.604 3.653 1.00 10.00 C ATOM 361 O ILE A 24 -4.586 -0.580 3.902 1.00 10.00 O ATOM 362 CB ILE A 24 -6.478 1.238 2.442 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.158 1.458 1.083 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.935 2.299 3.451 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.578 0.892 1.062 1.00 10.00 C ATOM 0 H ILE A 24 -4.837 -0.424 1.087 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.613 2.248 2.276 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.791 0.246 2.767 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.188 2.524 0.860 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.566 0.985 0.299 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.024 2.315 3.494 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.537 2.059 4.437 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.569 3.278 3.141 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.025 1.068 0.084 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.546 -0.180 1.259 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.177 1.384 1.828 1.00 10.00 H new ATOM 377 N LEU A 25 -3.683 1.435 4.438 1.00 10.00 N ATOM 378 CA LEU A 25 -3.086 1.085 5.721 1.00 10.00 C ATOM 379 C LEU A 25 -3.549 2.142 6.734 1.00 10.00 C ATOM 380 O LEU A 25 -2.950 3.210 6.856 1.00 10.00 O ATOM 381 CB LEU A 25 -1.554 1.017 5.590 1.00 10.00 C ATOM 382 CG LEU A 25 -0.964 -0.369 5.279 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.480 -0.995 3.987 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.564 -0.282 5.164 1.00 10.00 C ATOM 0 H LEU A 25 -3.518 2.408 4.182 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.403 0.099 6.062 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.246 1.706 4.804 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.113 1.377 6.520 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.280 -1.001 6.109 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -1.014 -1.970 3.844 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.562 -1.115 4.048 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.234 -0.348 3.145 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.969 -1.270 4.944 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.830 0.406 4.362 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.980 0.079 6.105 1.00 10.00 H new ATOM 396 N HIS A 26 -4.637 1.867 7.454 1.00 10.00 N ATOM 397 CA HIS A 26 -5.220 2.752 8.462 1.00 10.00 C ATOM 398 C HIS A 26 -5.839 3.992 7.806 1.00 10.00 C ATOM 399 O HIS A 26 -5.552 5.125 8.199 1.00 10.00 O ATOM 400 CB HIS A 26 -4.209 3.145 9.559 1.00 10.00 C ATOM 401 CG HIS A 26 -3.373 2.018 10.110 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.634 1.285 11.247 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.144 1.632 9.645 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.586 0.468 11.449 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.656 0.643 10.496 1.00 10.00 N ATOM 0 H HIS A 26 -5.153 0.994 7.348 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.014 2.193 8.957 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.540 3.906 9.156 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.755 3.605 10.383 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.642 2.025 8.773 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.503 -0.233 12.266 1.00 10.00 H new ATOM 0 HE2 HIS A 26 -0.768 0.149 10.412 1.00 10.00 H new ATOM 413 N TYR A 27 -6.704 3.786 6.809 1.00 10.00 N ATOM 414 CA TYR A 27 -7.491 4.829 6.143 1.00 10.00 C ATOM 415 C TYR A 27 -6.636 5.827 5.335 1.00 10.00 C ATOM 416 O TYR A 27 -7.174 6.739 4.707 1.00 10.00 O ATOM 417 CB TYR A 27 -8.438 5.551 7.130 1.00 10.00 C ATOM 418 CG TYR A 27 -9.527 4.703 7.779 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.200 3.710 8.724 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.885 5.006 7.550 1.00 10.00 C ATOM 421 CE1 TYR A 27 -10.211 2.961 9.351 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.893 4.297 8.222 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.560 3.253 9.097 1.00 10.00 C ATOM 424 OH TYR A 27 -12.544 2.534 9.708 1.00 10.00 O ATOM 0 H TYR A 27 -6.882 2.856 6.430 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.108 4.310 5.410 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.832 5.991 7.922 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.918 6.374 6.601 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -8.165 3.523 8.968 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -11.151 5.788 6.854 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -9.950 2.161 10.028 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.929 4.557 8.064 1.00 10.00 H new ATOM 0 HH TYR A 27 -13.419 2.868 9.421 1.00 10.00 H new ATOM 434 N LYS A 28 -5.310 5.674 5.316 1.00 10.00 N ATOM 435 CA LYS A 28 -4.440 6.407 4.404 1.00 10.00 C ATOM 436 C LYS A 28 -4.192 5.532 3.183 1.00 10.00 C ATOM 437 O LYS A 28 -4.392 4.321 3.265 1.00 10.00 O ATOM 438 CB LYS A 28 -3.122 6.761 5.100 1.00 10.00 C ATOM 439 CG LYS A 28 -3.102 8.204 5.599 1.00 10.00 C ATOM 440 CD LYS A 28 -4.181 8.456 6.649 1.00 10.00 C ATOM 441 CE LYS A 28 -3.784 7.909 8.029 1.00 10.00 C ATOM 442 NZ LYS A 28 -4.962 7.620 8.872 1.00 10.00 N ATOM 0 H LYS A 28 -4.812 5.036 5.936 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.911 7.341 4.097 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.964 6.086 5.941 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.295 6.606 4.407 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.123 8.428 6.023 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.248 8.882 4.758 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.369 9.527 6.725 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.113 7.990 6.329 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.197 6.999 7.903 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.145 8.633 8.535 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.659 7.483 9.857 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -5.628 8.417 8.822 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -5.430 6.756 8.531 1.00 10.00 H new ATOM 456 N VAL A 29 -3.746 6.142 2.081 1.00 10.00 N ATOM 457 CA VAL A 29 -3.490 5.483 0.808 1.00 10.00 C ATOM 458 C VAL A 29 -2.003 5.621 0.452 1.00 10.00 C ATOM 459 O VAL A 29 -1.404 6.689 0.615 1.00 10.00 O ATOM 460 CB VAL A 29 -4.426 6.064 -0.254 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.147 5.518 -1.645 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.873 5.687 0.053 1.00 10.00 C ATOM 0 H VAL A 29 -3.548 7.142 2.055 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.700 4.415 0.868 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.259 7.141 -0.232 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.841 5.965 -2.357 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -3.124 5.761 -1.933 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.276 4.436 -1.644 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.528 6.107 -0.710 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.973 4.602 0.060 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.153 6.083 1.029 1.00 10.00 H new ATOM 472 N TYR A 30 -1.419 4.499 0.024 1.00 10.00 N ATOM 473 CA TYR A 30 0.012 4.226 0.041 1.00 10.00 C ATOM 474 C TYR A 30 0.439 3.650 -1.309 1.00 10.00 C ATOM 475 O TYR A 30 0.046 2.519 -1.580 1.00 10.00 O ATOM 476 CB TYR A 30 0.223 3.169 1.138 1.00 10.00 C ATOM 477 CG TYR A 30 0.018 3.697 2.546 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.281 3.777 3.070 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.096 4.152 3.327 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.481 4.148 4.401 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.886 4.520 4.671 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.395 4.437 5.228 1.00 10.00 C ATOM 483 OH TYR A 30 -0.594 4.626 6.563 1.00 10.00 O ATOM 0 H TYR A 30 -1.959 3.724 -0.360 1.00 10.00 H new ATOM 0 HA TYR A 30 0.594 5.128 0.228 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.464 2.340 0.967 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.233 2.768 1.054 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.130 3.551 2.441 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.084 4.219 2.897 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.485 4.212 4.794 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.714 4.866 5.271 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.410 4.159 6.841 1.00 10.00 H new ATOM 493 N ASP A 31 1.222 4.376 -2.128 1.00 10.00 N ATOM 494 CA ASP A 31 1.734 3.866 -3.412 1.00 10.00 C ATOM 495 C ASP A 31 3.174 3.410 -3.238 1.00 10.00 C ATOM 496 O ASP A 31 3.957 4.117 -2.606 1.00 10.00 O ATOM 497 CB ASP A 31 1.693 4.905 -4.543 1.00 10.00 C ATOM 498 CG ASP A 31 1.738 4.274 -5.942 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.149 3.094 -6.066 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.249 4.953 -6.876 1.00 10.00 O ATOM 0 H ASP A 31 1.517 5.330 -1.919 1.00 10.00 H new ATOM 0 HA ASP A 31 1.080 3.042 -3.697 1.00 10.00 H new ATOM 0 HB2 ASP A 31 0.785 5.501 -4.449 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.535 5.588 -4.432 1.00 10.00 H new ATOM 505 N LEU A 32 3.542 2.260 -3.803 1.00 10.00 N ATOM 506 CA LEU A 32 4.888 1.723 -3.643 1.00 10.00 C ATOM 507 C LEU A 32 5.291 0.734 -4.729 1.00 10.00 C ATOM 508 O LEU A 32 5.851 -0.335 -4.477 1.00 10.00 O ATOM 509 CB LEU A 32 5.089 1.208 -2.224 1.00 10.00 C ATOM 510 CG LEU A 32 3.921 0.388 -1.643 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.371 -1.028 -1.273 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.441 1.064 -0.364 1.00 10.00 C ATOM 0 H LEU A 32 2.925 1.684 -4.375 1.00 10.00 H new ATOM 0 HA LEU A 32 5.588 2.546 -3.788 1.00 10.00 H new ATOM 0 HB2 LEU A 32 5.988 0.592 -2.204 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.272 2.060 -1.570 1.00 10.00 H new ATOM 0 HG LEU A 32 3.134 0.334 -2.395 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.526 -1.583 -0.866 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.744 -1.535 -2.163 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.164 -0.975 -0.527 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.614 0.495 0.060 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.259 1.105 0.355 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.107 2.076 -0.591 1.00 10.00 H new ATOM 524 N THR A 33 5.095 1.196 -5.957 1.00 10.00 N ATOM 525 CA THR A 33 5.568 0.580 -7.196 1.00 10.00 C ATOM 526 C THR A 33 7.030 0.149 -7.113 1.00 10.00 C ATOM 527 O THR A 33 7.397 -0.870 -7.681 1.00 10.00 O ATOM 528 CB THR A 33 5.482 1.609 -8.328 1.00 10.00 C ATOM 529 OG1 THR A 33 6.019 2.842 -7.877 1.00 10.00 O ATOM 530 CG2 THR A 33 4.044 1.845 -8.755 1.00 10.00 C ATOM 0 H THR A 33 4.574 2.056 -6.128 1.00 10.00 H new ATOM 0 HA THR A 33 4.943 -0.296 -7.372 1.00 10.00 H new ATOM 0 HB THR A 33 6.044 1.222 -9.178 1.00 10.00 H new ATOM 0 HG1 THR A 33 5.968 3.504 -8.598 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.019 2.580 -9.559 1.00 10.00 H new ATOM 0 HG22 THR A 33 3.610 0.909 -9.106 1.00 10.00 H new ATOM 0 HG23 THR A 33 3.469 2.216 -7.907 1.00 10.00 H new ATOM 538 N LYS A 34 7.885 0.952 -6.474 1.00 10.00 N ATOM 539 CA LYS A 34 9.289 0.604 -6.335 1.00 10.00 C ATOM 540 C LYS A 34 9.456 -0.491 -5.287 1.00 10.00 C ATOM 541 O LYS A 34 10.250 -1.411 -5.459 1.00 10.00 O ATOM 542 CB LYS A 34 10.111 1.837 -5.946 1.00 10.00 C ATOM 543 CG LYS A 34 10.160 2.858 -7.089 1.00 10.00 C ATOM 544 CD LYS A 34 11.152 3.972 -6.728 1.00 10.00 C ATOM 545 CE LYS A 34 11.289 4.971 -7.883 1.00 10.00 C ATOM 546 NZ LYS A 34 12.288 6.020 -7.590 1.00 10.00 N ATOM 0 H LYS A 34 7.625 1.842 -6.049 1.00 10.00 H new ATOM 0 HA LYS A 34 9.652 0.234 -7.294 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.678 2.301 -5.060 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.124 1.533 -5.683 1.00 10.00 H new ATOM 0 HG2 LYS A 34 10.464 2.370 -8.015 1.00 10.00 H new ATOM 0 HG3 LYS A 34 9.169 3.278 -7.260 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.814 4.490 -5.831 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.125 3.539 -6.498 1.00 10.00 H new ATOM 0 HE2 LYS A 34 11.576 4.440 -8.790 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.322 5.435 -8.078 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 12.350 6.675 -8.396 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 12.001 6.544 -6.739 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 13.216 5.580 -7.429 1.00 10.00 H new ATOM 560 N PHE A 35 8.723 -0.384 -4.176 1.00 10.00 N ATOM 561 CA PHE A 35 8.988 -1.239 -3.032 1.00 10.00 C ATOM 562 C PHE A 35 8.581 -2.671 -3.335 1.00 10.00 C ATOM 563 O PHE A 35 9.156 -3.592 -2.770 1.00 10.00 O ATOM 564 CB PHE A 35 8.287 -0.724 -1.775 1.00 10.00 C ATOM 565 CG PHE A 35 9.032 -1.092 -0.509 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.192 -0.376 -0.156 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.686 -2.249 0.211 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.930 -0.740 0.982 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.502 -2.678 1.272 1.00 10.00 C ATOM 570 CZ PHE A 35 10.606 -1.912 1.678 1.00 10.00 C ATOM 0 H PHE A 35 7.956 0.276 -4.051 1.00 10.00 H new ATOM 0 HA PHE A 35 10.060 -1.219 -2.838 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.190 0.360 -1.834 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.277 -1.133 -1.732 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.516 0.457 -0.763 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.798 -2.805 -0.050 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.746 -0.118 1.320 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.278 -3.605 1.779 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.202 -2.224 2.522 1.00 10.00 H new ATOM 580 N LEU A 36 7.635 -2.848 -4.264 1.00 10.00 N ATOM 581 CA LEU A 36 7.462 -4.086 -5.018 1.00 10.00 C ATOM 582 C LEU A 36 8.775 -4.880 -5.137 1.00 10.00 C ATOM 583 O LEU A 36 8.835 -6.042 -4.737 1.00 10.00 O ATOM 584 CB LEU A 36 6.935 -3.749 -6.420 1.00 10.00 C ATOM 585 CG LEU A 36 5.492 -3.250 -6.535 1.00 10.00 C ATOM 586 CD1 LEU A 36 5.092 -3.428 -8.008 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.522 -4.064 -5.677 1.00 10.00 C ATOM 0 H LEU A 36 6.961 -2.124 -4.513 1.00 10.00 H new ATOM 0 HA LEU A 36 6.749 -4.712 -4.480 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.588 -2.990 -6.851 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.032 -4.641 -7.039 1.00 10.00 H new ATOM 0 HG LEU A 36 5.441 -2.216 -6.193 1.00 10.00 H new ATOM 0 HD11 LEU A 36 4.067 -3.087 -8.150 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.760 -2.843 -8.640 1.00 10.00 H new ATOM 0 HD13 LEU A 36 5.165 -4.481 -8.280 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.513 -3.669 -5.795 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.543 -5.107 -5.994 1.00 10.00 H new ATOM 0 HD23 LEU A 36 4.818 -3.997 -4.630 1.00 10.00 H new ATOM 599 N GLU A 37 9.827 -4.242 -5.660 1.00 10.00 N ATOM 600 CA GLU A 37 11.133 -4.852 -5.857 1.00 10.00 C ATOM 601 C GLU A 37 11.808 -5.162 -4.517 1.00 10.00 C ATOM 602 O GLU A 37 12.318 -6.256 -4.290 1.00 10.00 O ATOM 603 CB GLU A 37 12.008 -3.871 -6.649 1.00 10.00 C ATOM 604 CG GLU A 37 11.495 -3.622 -8.075 1.00 10.00 C ATOM 605 CD GLU A 37 11.645 -4.854 -8.959 1.00 10.00 C ATOM 606 OE1 GLU A 37 12.813 -5.219 -9.216 1.00 10.00 O ATOM 607 OE2 GLU A 37 10.596 -5.398 -9.363 1.00 10.00 O ATOM 0 H GLU A 37 9.787 -3.269 -5.962 1.00 10.00 H new ATOM 0 HA GLU A 37 11.009 -5.790 -6.398 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.054 -2.922 -6.115 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.025 -4.259 -6.698 1.00 10.00 H new ATOM 0 HG2 GLU A 37 10.446 -3.329 -8.037 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.043 -2.790 -8.517 1.00 10.00 H new ATOM 614 N GLU A 38 11.866 -4.144 -3.658 1.00 10.00 N ATOM 615 CA GLU A 38 12.658 -4.128 -2.435 1.00 10.00 C ATOM 616 C GLU A 38 12.127 -5.130 -1.398 1.00 10.00 C ATOM 617 O GLU A 38 12.876 -5.665 -0.583 1.00 10.00 O ATOM 618 CB GLU A 38 12.646 -2.684 -1.910 1.00 10.00 C ATOM 619 CG GLU A 38 13.810 -2.361 -0.966 1.00 10.00 C ATOM 620 CD GLU A 38 13.799 -0.898 -0.531 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.304 -0.061 -1.320 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.271 -0.641 0.596 1.00 10.00 O ATOM 0 H GLU A 38 11.344 -3.280 -3.803 1.00 10.00 H new ATOM 0 HA GLU A 38 13.681 -4.444 -2.637 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.676 -1.999 -2.757 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.706 -2.504 -1.388 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.753 -3.002 -0.086 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.754 -2.585 -1.463 1.00 10.00 H new ATOM 629 N HIS A 39 10.812 -5.350 -1.405 1.00 10.00 N ATOM 630 CA HIS A 39 10.081 -6.065 -0.378 1.00 10.00 C ATOM 631 C HIS A 39 10.565 -7.505 -0.169 1.00 10.00 C ATOM 632 O HIS A 39 10.457 -8.308 -1.093 1.00 10.00 O ATOM 633 CB HIS A 39 8.604 -6.077 -0.784 1.00 10.00 C ATOM 634 CG HIS A 39 7.683 -6.605 0.278 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.537 -7.337 0.065 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.681 -6.195 1.580 1.00 10.00 C ATOM 637 CE1 HIS A 39 5.859 -7.335 1.225 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.522 -6.661 2.187 1.00 10.00 N ATOM 0 H HIS A 39 10.210 -5.019 -2.159 1.00 10.00 H new ATOM 0 HA HIS A 39 10.244 -5.552 0.570 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.300 -5.062 -1.042 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.490 -6.682 -1.683 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.257 -7.792 -0.804 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.451 -5.607 2.058 1.00 10.00 H new ATOM 0 HE1 HIS A 39 4.902 -7.814 1.369 1.00 10.00 H new ATOM 646 N PRO A 40 10.971 -7.897 1.053 1.00 10.00 N ATOM 647 CA PRO A 40 11.171 -9.296 1.419 1.00 10.00 C ATOM 648 C PRO A 40 9.959 -10.172 1.086 1.00 10.00 C ATOM 649 O PRO A 40 10.114 -11.286 0.594 1.00 10.00 O ATOM 650 CB PRO A 40 11.466 -9.283 2.922 1.00 10.00 C ATOM 651 CG PRO A 40 12.155 -7.931 3.089 1.00 10.00 C ATOM 652 CD PRO A 40 11.314 -7.042 2.178 1.00 10.00 C ATOM 0 HA PRO A 40 11.989 -9.735 0.848 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.557 -9.356 3.519 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.110 -10.110 3.220 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.139 -7.588 4.124 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.200 -7.963 2.780 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.421 -6.681 2.689 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.873 -6.164 1.854 1.00 10.00 H new ATOM 660 N GLY A 41 8.746 -9.666 1.337 1.00 10.00 N ATOM 661 CA GLY A 41 7.516 -10.353 0.969 1.00 10.00 C ATOM 662 C GLY A 41 7.347 -10.495 -0.551 1.00 10.00 C ATOM 663 O GLY A 41 6.544 -11.310 -0.990 1.00 10.00 O ATOM 0 H GLY A 41 8.596 -8.770 1.800 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.507 -11.343 1.425 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.665 -9.807 1.375 1.00 10.00 H new ATOM 667 N GLY A 42 8.060 -9.700 -1.358 1.00 10.00 N ATOM 668 CA GLY A 42 7.972 -9.716 -2.812 1.00 10.00 C ATOM 669 C GLY A 42 6.880 -8.793 -3.343 1.00 10.00 C ATOM 670 O GLY A 42 6.085 -8.238 -2.581 1.00 10.00 O ATOM 0 H GLY A 42 8.727 -9.015 -1.004 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.932 -9.418 -3.234 1.00 10.00 H new ATOM 0 HA3 GLY A 42 7.778 -10.734 -3.150 1.00 10.00 H new ATOM 674 N GLU A 43 6.870 -8.630 -4.668 1.00 10.00 N ATOM 675 CA GLU A 43 5.947 -7.784 -5.407 1.00 10.00 C ATOM 676 C GLU A 43 4.558 -8.420 -5.392 1.00 10.00 C ATOM 677 O GLU A 43 3.620 -7.822 -4.863 1.00 10.00 O ATOM 678 CB GLU A 43 6.554 -7.517 -6.796 1.00 10.00 C ATOM 679 CG GLU A 43 5.623 -7.063 -7.926 1.00 10.00 C ATOM 680 CD GLU A 43 5.199 -8.194 -8.856 1.00 10.00 C ATOM 681 OE1 GLU A 43 5.281 -9.363 -8.431 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.734 -7.863 -9.970 1.00 10.00 O ATOM 0 H GLU A 43 7.536 -9.107 -5.276 1.00 10.00 H new ATOM 0 HA GLU A 43 5.804 -6.804 -4.951 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.328 -6.758 -6.679 1.00 10.00 H new ATOM 0 HB3 GLU A 43 7.050 -8.431 -7.122 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.733 -6.607 -7.492 1.00 10.00 H new ATOM 0 HG3 GLU A 43 6.124 -6.291 -8.510 1.00 10.00 H new ATOM 689 N GLU A 44 4.439 -9.639 -5.924 1.00 10.00 N ATOM 690 CA GLU A 44 3.221 -10.435 -5.953 1.00 10.00 C ATOM 691 C GLU A 44 2.303 -10.185 -4.752 1.00 10.00 C ATOM 692 O GLU A 44 1.155 -9.783 -4.926 1.00 10.00 O ATOM 693 CB GLU A 44 3.557 -11.930 -6.054 1.00 10.00 C ATOM 694 CG GLU A 44 4.351 -12.283 -7.317 1.00 10.00 C ATOM 695 CD GLU A 44 4.468 -13.792 -7.481 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.032 -14.415 -6.556 1.00 10.00 O ATOM 697 OE2 GLU A 44 3.973 -14.297 -8.511 1.00 10.00 O ATOM 0 H GLU A 44 5.227 -10.114 -6.364 1.00 10.00 H new ATOM 0 HA GLU A 44 2.672 -10.118 -6.840 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.131 -12.228 -5.176 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.632 -12.506 -6.041 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.860 -11.855 -8.191 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.346 -11.841 -7.261 1.00 10.00 H new ATOM 704 N VAL A 45 2.802 -10.405 -3.530 1.00 10.00 N ATOM 705 CA VAL A 45 1.988 -10.297 -2.320 1.00 10.00 C ATOM 706 C VAL A 45 1.433 -8.879 -2.160 1.00 10.00 C ATOM 707 O VAL A 45 0.278 -8.693 -1.777 1.00 10.00 O ATOM 708 CB VAL A 45 2.739 -10.776 -1.056 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.538 -12.053 -1.329 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.693 -9.747 -0.438 1.00 10.00 C ATOM 0 H VAL A 45 3.774 -10.661 -3.356 1.00 10.00 H new ATOM 0 HA VAL A 45 1.141 -10.973 -2.438 1.00 10.00 H new ATOM 0 HB VAL A 45 1.940 -10.954 -0.337 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.053 -12.361 -0.419 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.860 -12.845 -1.648 1.00 10.00 H new ATOM 0 HG13 VAL A 45 4.270 -11.863 -2.114 1.00 10.00 H new ATOM 0 HG21 VAL A 45 4.171 -10.177 0.442 1.00 10.00 H new ATOM 0 HG22 VAL A 45 4.455 -9.473 -1.168 1.00 10.00 H new ATOM 0 HG23 VAL A 45 3.132 -8.858 -0.149 1.00 10.00 H new ATOM 720 N LEU A 46 2.253 -7.869 -2.462 1.00 10.00 N ATOM 721 CA LEU A 46 1.815 -6.489 -2.400 1.00 10.00 C ATOM 722 C LEU A 46 0.746 -6.271 -3.459 1.00 10.00 C ATOM 723 O LEU A 46 -0.288 -5.693 -3.151 1.00 10.00 O ATOM 724 CB LEU A 46 2.991 -5.522 -2.590 1.00 10.00 C ATOM 725 CG LEU A 46 4.014 -5.598 -1.447 1.00 10.00 C ATOM 726 CD1 LEU A 46 5.286 -4.849 -1.846 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.465 -4.989 -0.156 1.00 10.00 C ATOM 0 H LEU A 46 3.224 -7.990 -2.751 1.00 10.00 H new ATOM 0 HA LEU A 46 1.397 -6.285 -1.414 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.490 -5.744 -3.533 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.610 -4.503 -2.663 1.00 10.00 H new ATOM 0 HG LEU A 46 4.231 -6.651 -1.266 1.00 10.00 H new ATOM 0 HD11 LEU A 46 6.011 -4.904 -1.034 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.710 -5.303 -2.742 1.00 10.00 H new ATOM 0 HD13 LEU A 46 5.046 -3.805 -2.047 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.218 -5.062 0.629 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.217 -3.941 -0.325 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.569 -5.530 0.149 1.00 10.00 H new ATOM 739 N ARG A 47 0.966 -6.743 -4.688 1.00 10.00 N ATOM 740 CA ARG A 47 0.029 -6.517 -5.784 1.00 10.00 C ATOM 741 C ARG A 47 -1.324 -7.160 -5.495 1.00 10.00 C ATOM 742 O ARG A 47 -2.361 -6.538 -5.700 1.00 10.00 O ATOM 743 CB ARG A 47 0.589 -7.051 -7.100 1.00 10.00 C ATOM 744 CG ARG A 47 1.629 -6.094 -7.688 1.00 10.00 C ATOM 745 CD ARG A 47 2.217 -6.724 -8.948 1.00 10.00 C ATOM 746 NE ARG A 47 1.194 -6.974 -9.975 1.00 10.00 N ATOM 747 CZ ARG A 47 1.300 -7.909 -10.933 1.00 10.00 C ATOM 748 NH1 ARG A 47 2.459 -8.539 -11.147 1.00 10.00 N ATOM 749 NH2 ARG A 47 0.231 -8.212 -11.679 1.00 10.00 N ATOM 0 H ARG A 47 1.790 -7.286 -4.947 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.113 -5.440 -5.875 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.042 -8.028 -6.935 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.223 -7.192 -7.813 1.00 10.00 H new ATOM 0 HG2 ARG A 47 1.169 -5.135 -7.925 1.00 10.00 H new ATOM 0 HG3 ARG A 47 2.417 -5.899 -6.960 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.985 -6.067 -9.356 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.705 -7.663 -8.688 1.00 10.00 H new ATOM 0 HE ARG A 47 0.351 -6.401 -9.958 1.00 10.00 H new ATOM 0 HH11 ARG A 47 3.276 -8.311 -10.580 1.00 10.00 H new ATOM 0 HH12 ARG A 47 2.527 -9.247 -11.878 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -0.655 -7.734 -11.518 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.303 -8.921 -12.409 1.00 10.00 H new ATOM 763 N GLU A 48 -1.292 -8.406 -5.027 1.00 10.00 N ATOM 764 CA GLU A 48 -2.446 -9.184 -4.607 1.00 10.00 C ATOM 765 C GLU A 48 -3.353 -8.350 -3.692 1.00 10.00 C ATOM 766 O GLU A 48 -4.566 -8.303 -3.879 1.00 10.00 O ATOM 767 CB GLU A 48 -1.893 -10.445 -3.926 1.00 10.00 C ATOM 768 CG GLU A 48 -2.940 -11.343 -3.248 1.00 10.00 C ATOM 769 CD GLU A 48 -3.958 -11.935 -4.219 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.605 -12.074 -5.410 1.00 10.00 O ATOM 771 OE2 GLU A 48 -5.063 -12.261 -3.737 1.00 10.00 O ATOM 0 H GLU A 48 -0.417 -8.921 -4.927 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.077 -9.473 -5.448 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.361 -11.036 -4.672 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.161 -10.141 -3.178 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.429 -12.155 -2.730 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.467 -10.764 -2.490 1.00 10.00 H new ATOM 778 N GLN A 49 -2.763 -7.690 -2.691 1.00 10.00 N ATOM 779 CA GLN A 49 -3.501 -6.834 -1.770 1.00 10.00 C ATOM 780 C GLN A 49 -3.758 -5.433 -2.333 1.00 10.00 C ATOM 781 O GLN A 49 -4.712 -4.770 -1.933 1.00 10.00 O ATOM 782 CB GLN A 49 -2.717 -6.730 -0.462 1.00 10.00 C ATOM 783 CG GLN A 49 -2.521 -8.075 0.247 1.00 10.00 C ATOM 784 CD GLN A 49 -3.825 -8.689 0.748 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.146 -8.584 1.928 1.00 10.00 O ATOM 786 NE2 GLN A 49 -4.573 -9.362 -0.120 1.00 10.00 N ATOM 0 H GLN A 49 -1.762 -7.737 -2.500 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.478 -7.288 -1.605 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.740 -6.292 -0.668 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.237 -6.047 0.210 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.039 -8.772 -0.438 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -1.844 -7.938 1.091 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.283 -9.434 -1.095 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.437 -9.807 0.189 1.00 10.00 H new ATOM 795 N ALA A 50 -2.865 -4.953 -3.195 1.00 10.00 N ATOM 796 CA ALA A 50 -2.894 -3.602 -3.725 1.00 10.00 C ATOM 797 C ALA A 50 -4.192 -3.324 -4.466 1.00 10.00 C ATOM 798 O ALA A 50 -4.816 -4.209 -5.051 1.00 10.00 O ATOM 799 CB ALA A 50 -1.712 -3.346 -4.660 1.00 10.00 C ATOM 0 H ALA A 50 -2.086 -5.508 -3.549 1.00 10.00 H new ATOM 0 HA ALA A 50 -2.824 -2.927 -2.872 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.763 -2.326 -5.040 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.779 -3.483 -4.113 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.750 -4.046 -5.495 1.00 10.00 H new ATOM 805 N GLY A 51 -4.588 -2.056 -4.441 1.00 10.00 N ATOM 806 CA GLY A 51 -5.943 -1.656 -4.712 1.00 10.00 C ATOM 807 C GLY A 51 -6.859 -2.433 -3.801 1.00 10.00 C ATOM 808 O GLY A 51 -7.832 -3.044 -4.227 1.00 10.00 O ATOM 0 H GLY A 51 -3.963 -1.278 -4.229 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.063 -0.585 -4.547 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.194 -1.848 -5.755 1.00 10.00 H new ATOM 812 N GLY A 52 -6.533 -2.356 -2.514 1.00 10.00 N ATOM 813 CA GLY A 52 -7.402 -2.811 -1.481 1.00 10.00 C ATOM 814 C GLY A 52 -6.767 -2.417 -0.165 1.00 10.00 C ATOM 815 O GLY A 52 -5.702 -1.793 -0.100 1.00 10.00 O ATOM 0 H GLY A 52 -5.650 -1.971 -2.177 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.390 -2.362 -1.582 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.535 -3.891 -1.537 1.00 10.00 H new ATOM 819 N ASP A 53 -7.484 -2.776 0.883 1.00 10.00 N ATOM 820 CA ASP A 53 -7.081 -2.558 2.255 1.00 10.00 C ATOM 821 C ASP A 53 -6.156 -3.676 2.703 1.00 10.00 C ATOM 822 O ASP A 53 -6.513 -4.848 2.601 1.00 10.00 O ATOM 823 CB ASP A 53 -8.305 -2.438 3.165 1.00 10.00 C ATOM 824 CG ASP A 53 -7.931 -1.778 4.479 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.977 -2.247 5.135 1.00 10.00 O ATOM 826 OD2 ASP A 53 -8.611 -0.780 4.808 1.00 10.00 O ATOM 0 H ASP A 53 -8.388 -3.240 0.798 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.535 -1.617 2.323 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.080 -1.855 2.667 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.722 -3.427 3.354 1.00 10.00 H new ATOM 831 N ALA A 54 -4.965 -3.309 3.179 1.00 10.00 N ATOM 832 CA ALA A 54 -4.029 -4.259 3.752 1.00 10.00 C ATOM 833 C ALA A 54 -3.637 -3.844 5.168 1.00 10.00 C ATOM 834 O ALA A 54 -2.562 -4.216 5.632 1.00 10.00 O ATOM 835 CB ALA A 54 -2.814 -4.375 2.835 1.00 10.00 C ATOM 0 H ALA A 54 -4.629 -2.346 3.175 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.499 -5.239 3.830 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -2.105 -5.087 3.258 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.132 -4.721 1.851 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.336 -3.400 2.740 1.00 10.00 H new ATOM 841 N THR A 55 -4.491 -3.088 5.866 1.00 10.00 N ATOM 842 CA THR A 55 -4.165 -2.601 7.197 1.00 10.00 C ATOM 843 C THR A 55 -3.935 -3.780 8.141 1.00 10.00 C ATOM 844 O THR A 55 -2.864 -3.912 8.734 1.00 10.00 O ATOM 845 CB THR A 55 -5.272 -1.673 7.729 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.633 -0.689 6.782 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.759 -0.953 8.973 1.00 10.00 C ATOM 0 H THR A 55 -5.410 -2.804 5.526 1.00 10.00 H new ATOM 0 HA THR A 55 -3.246 -2.017 7.141 1.00 10.00 H new ATOM 0 HB THR A 55 -6.144 -2.290 7.948 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.144 -1.105 6.057 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.536 -0.293 9.358 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.496 -1.686 9.735 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.878 -0.365 8.716 1.00 10.00 H new ATOM 855 N GLU A 56 -4.950 -4.642 8.261 1.00 10.00 N ATOM 856 CA GLU A 56 -4.949 -5.792 9.130 1.00 10.00 C ATOM 857 C GLU A 56 -3.751 -6.647 8.751 1.00 10.00 C ATOM 858 O GLU A 56 -2.904 -6.883 9.589 1.00 10.00 O ATOM 859 CB GLU A 56 -6.296 -6.514 8.979 1.00 10.00 C ATOM 860 CG GLU A 56 -6.498 -7.636 10.000 1.00 10.00 C ATOM 861 CD GLU A 56 -7.904 -8.210 9.876 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.198 -8.742 8.785 1.00 10.00 O ATOM 863 OE2 GLU A 56 -8.668 -8.066 10.855 1.00 10.00 O ATOM 0 H GLU A 56 -5.817 -4.543 7.733 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.850 -5.532 10.184 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -7.103 -5.789 9.082 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.367 -6.929 7.974 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -5.760 -8.422 9.839 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -6.341 -7.253 11.008 1.00 10.00 H new ATOM 870 N ASN A 57 -3.636 -7.027 7.476 1.00 10.00 N ATOM 871 CA ASN A 57 -2.534 -7.831 6.959 1.00 10.00 C ATOM 872 C ASN A 57 -1.160 -7.266 7.365 1.00 10.00 C ATOM 873 O ASN A 57 -0.323 -7.968 7.930 1.00 10.00 O ATOM 874 CB ASN A 57 -2.689 -7.940 5.435 1.00 10.00 C ATOM 875 CG ASN A 57 -1.790 -9.010 4.829 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.789 -9.402 5.410 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.139 -9.506 3.649 1.00 10.00 N ATOM 0 H ASN A 57 -4.322 -6.778 6.763 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.576 -8.827 7.399 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.728 -8.165 5.195 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.458 -6.977 4.980 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.568 -10.228 3.210 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -2.978 -9.165 3.181 1.00 10.00 H new ATOM 884 N PHE A 58 -0.924 -5.979 7.098 1.00 10.00 N ATOM 885 CA PHE A 58 0.325 -5.307 7.442 1.00 10.00 C ATOM 886 C PHE A 58 0.639 -5.476 8.935 1.00 10.00 C ATOM 887 O PHE A 58 1.703 -5.977 9.308 1.00 10.00 O ATOM 888 CB PHE A 58 0.217 -3.828 7.051 1.00 10.00 C ATOM 889 CG PHE A 58 1.463 -2.997 7.293 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.545 -3.087 6.399 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.478 -2.023 8.309 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.605 -2.168 6.478 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.536 -1.101 8.384 1.00 10.00 C ATOM 894 CZ PHE A 58 3.594 -1.163 7.459 1.00 10.00 C ATOM 0 H PHE A 58 -1.601 -5.373 6.634 1.00 10.00 H new ATOM 0 HA PHE A 58 1.150 -5.757 6.891 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -0.040 -3.767 5.993 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.609 -3.383 7.605 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.561 -3.865 5.650 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.676 -1.984 9.031 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.429 -2.235 5.783 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.537 -0.343 9.153 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.395 -0.440 7.503 1.00 10.00 H new ATOM 904 N GLU A 59 -0.301 -5.067 9.784 1.00 10.00 N ATOM 905 CA GLU A 59 -0.152 -5.112 11.230 1.00 10.00 C ATOM 906 C GLU A 59 -0.020 -6.545 11.757 1.00 10.00 C ATOM 907 O GLU A 59 0.677 -6.789 12.739 1.00 10.00 O ATOM 908 CB GLU A 59 -1.376 -4.436 11.844 1.00 10.00 C ATOM 909 CG GLU A 59 -1.422 -2.929 11.540 1.00 10.00 C ATOM 910 CD GLU A 59 -0.303 -2.165 12.233 1.00 10.00 C ATOM 911 OE1 GLU A 59 -0.322 -2.091 13.477 1.00 10.00 O ATOM 912 OE2 GLU A 59 0.642 -1.688 11.563 1.00 10.00 O ATOM 0 H GLU A 59 -1.199 -4.690 9.479 1.00 10.00 H new ATOM 0 HA GLU A 59 0.766 -4.594 11.509 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.280 -4.910 11.462 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.369 -4.587 12.923 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.351 -2.776 10.463 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.384 -2.526 11.856 1.00 10.00 H new ATOM 919 N ASP A 60 -0.709 -7.481 11.109 1.00 10.00 N ATOM 920 CA ASP A 60 -0.772 -8.893 11.446 1.00 10.00 C ATOM 921 C ASP A 60 0.613 -9.507 11.254 1.00 10.00 C ATOM 922 O ASP A 60 1.142 -10.184 12.132 1.00 10.00 O ATOM 923 CB ASP A 60 -1.817 -9.576 10.550 1.00 10.00 C ATOM 924 CG ASP A 60 -1.953 -11.044 10.924 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.662 -11.317 11.915 1.00 10.00 O ATOM 926 OD2 ASP A 60 -1.337 -11.869 10.215 1.00 10.00 O ATOM 0 H ASP A 60 -1.270 -7.257 10.287 1.00 10.00 H new ATOM 0 HA ASP A 60 -1.071 -9.031 12.485 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.780 -9.076 10.656 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.524 -9.486 9.504 1.00 10.00 H new ATOM 931 N HIS A 61 1.232 -9.191 10.111 1.00 10.00 N ATOM 932 CA HIS A 61 2.626 -9.523 9.855 1.00 10.00 C ATOM 933 C HIS A 61 3.530 -8.817 10.867 1.00 10.00 C ATOM 934 O HIS A 61 4.502 -9.401 11.339 1.00 10.00 O ATOM 935 CB HIS A 61 3.013 -9.148 8.419 1.00 10.00 C ATOM 936 CG HIS A 61 2.542 -10.130 7.377 1.00 10.00 C ATOM 937 ND1 HIS A 61 2.665 -11.499 7.441 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.075 -9.817 6.129 1.00 10.00 C ATOM 939 CE1 HIS A 61 2.275 -11.996 6.256 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.928 -11.010 5.412 1.00 10.00 N ATOM 0 H HIS A 61 0.776 -8.699 9.343 1.00 10.00 H new ATOM 0 HA HIS A 61 2.758 -10.599 9.969 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.602 -8.165 8.188 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.098 -9.062 8.357 1.00 10.00 H new ATOM 0 HD2 HIS A 61 1.858 -8.825 5.762 1.00 10.00 H new ATOM 0 HE1 HIS A 61 2.244 -13.048 6.014 1.00 10.00 H new ATOM 0 HE2 HIS A 61 1.620 -11.110 4.445 1.00 10.00 H new ATOM 948 N GLY A 62 3.220 -7.559 11.190 1.00 10.00 N ATOM 949 CA GLY A 62 3.893 -6.806 12.236 1.00 10.00 C ATOM 950 C GLY A 62 4.498 -5.550 11.637 1.00 10.00 C ATOM 951 O GLY A 62 4.082 -4.446 11.981 1.00 10.00 O ATOM 0 H GLY A 62 2.483 -7.033 10.722 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.187 -6.544 13.024 1.00 10.00 H new ATOM 0 HA3 GLY A 62 4.671 -7.415 12.696 1.00 10.00 H new ATOM 955 N HIS A 63 5.468 -5.744 10.737 1.00 10.00 N ATOM 956 CA HIS A 63 6.148 -4.706 9.977 1.00 10.00 C ATOM 957 C HIS A 63 6.918 -3.724 10.856 1.00 10.00 C ATOM 958 O HIS A 63 6.339 -2.918 11.582 1.00 10.00 O ATOM 959 CB HIS A 63 5.184 -4.012 9.016 1.00 10.00 C ATOM 960 CG HIS A 63 4.959 -4.870 7.807 1.00 10.00 C ATOM 961 ND1 HIS A 63 3.950 -5.783 7.623 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.796 -4.946 6.732 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.153 -6.361 6.426 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.271 -5.884 5.846 1.00 10.00 N ATOM 0 H HIS A 63 5.812 -6.678 10.513 1.00 10.00 H new ATOM 0 HA HIS A 63 6.911 -5.199 9.374 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.235 -3.818 9.516 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.589 -3.046 8.716 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.190 -5.985 8.272 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.705 -4.379 6.593 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.506 -7.107 5.989 1.00 10.00 H new ATOM 972 N SER A 64 8.247 -3.783 10.805 1.00 10.00 N ATOM 973 CA SER A 64 9.070 -2.971 11.686 1.00 10.00 C ATOM 974 C SER A 64 8.864 -1.463 11.471 1.00 10.00 C ATOM 975 O SER A 64 8.255 -1.008 10.495 1.00 10.00 O ATOM 976 CB SER A 64 10.543 -3.373 11.561 1.00 10.00 C ATOM 977 OG SER A 64 11.230 -2.952 12.724 1.00 10.00 O ATOM 0 H SER A 64 8.770 -4.382 10.166 1.00 10.00 H new ATOM 0 HA SER A 64 8.747 -3.169 12.708 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.631 -4.453 11.441 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.985 -2.917 10.675 1.00 10.00 H new ATOM 0 HG SER A 64 12.174 -3.205 12.656 1.00 10.00 H new ATOM 983 N THR A 65 9.412 -0.686 12.406 1.00 10.00 N ATOM 984 CA THR A 65 9.427 0.769 12.423 1.00 10.00 C ATOM 985 C THR A 65 9.790 1.323 11.057 1.00 10.00 C ATOM 986 O THR A 65 9.192 2.282 10.594 1.00 10.00 O ATOM 987 CB THR A 65 10.488 1.195 13.452 1.00 10.00 C ATOM 988 OG1 THR A 65 11.538 0.234 13.513 1.00 10.00 O ATOM 989 CG2 THR A 65 9.858 1.268 14.844 1.00 10.00 C ATOM 0 H THR A 65 9.884 -1.084 13.218 1.00 10.00 H new ATOM 0 HA THR A 65 8.441 1.153 12.683 1.00 10.00 H new ATOM 0 HB THR A 65 10.880 2.166 13.147 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.973 0.169 12.637 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.613 1.570 15.570 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.048 1.997 14.839 1.00 10.00 H new ATOM 0 HG23 THR A 65 9.464 0.289 15.117 1.00 10.00 H new ATOM 997 N ASP A 66 10.777 0.710 10.426 1.00 10.00 N ATOM 998 CA ASP A 66 11.390 1.118 9.185 1.00 10.00 C ATOM 999 C ASP A 66 10.356 1.066 8.056 1.00 10.00 C ATOM 1000 O ASP A 66 10.223 2.006 7.276 1.00 10.00 O ATOM 1001 CB ASP A 66 12.594 0.190 8.956 1.00 10.00 C ATOM 1002 CG ASP A 66 13.548 0.159 10.157 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.049 -0.108 11.280 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.750 0.409 9.933 1.00 10.00 O ATOM 0 H ASP A 66 11.195 -0.143 10.797 1.00 10.00 H new ATOM 0 HA ASP A 66 11.744 2.148 9.214 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.237 -0.820 8.753 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.139 0.519 8.071 1.00 10.00 H new ATOM 1009 N ALA A 67 9.575 -0.018 8.005 1.00 10.00 N ATOM 1010 CA ALA A 67 8.476 -0.176 7.068 1.00 10.00 C ATOM 1011 C ALA A 67 7.396 0.861 7.360 1.00 10.00 C ATOM 1012 O ALA A 67 6.894 1.513 6.450 1.00 10.00 O ATOM 1013 CB ALA A 67 7.913 -1.598 7.154 1.00 10.00 C ATOM 0 H ALA A 67 9.697 -0.818 8.626 1.00 10.00 H new ATOM 0 HA ALA A 67 8.839 -0.017 6.053 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.090 -1.707 6.448 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.697 -2.315 6.910 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.551 -1.786 8.165 1.00 10.00 H new ATOM 1019 N ARG A 68 7.052 1.022 8.640 1.00 10.00 N ATOM 1020 CA ARG A 68 6.155 2.071 9.120 1.00 10.00 C ATOM 1021 C ARG A 68 6.597 3.458 8.586 1.00 10.00 C ATOM 1022 O ARG A 68 5.813 4.202 7.984 1.00 10.00 O ATOM 1023 CB ARG A 68 6.098 1.985 10.665 1.00 10.00 C ATOM 1024 CG ARG A 68 4.802 1.357 11.215 1.00 10.00 C ATOM 1025 CD ARG A 68 4.895 -0.177 11.280 1.00 10.00 C ATOM 1026 NE ARG A 68 3.670 -0.791 11.847 1.00 10.00 N ATOM 1027 CZ ARG A 68 3.608 -1.569 12.946 1.00 10.00 C ATOM 1028 NH1 ARG A 68 4.713 -2.076 13.492 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.433 -1.824 13.512 1.00 10.00 N ATOM 0 H ARG A 68 7.396 0.415 9.384 1.00 10.00 H new ATOM 0 HA ARG A 68 5.144 1.929 8.739 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.949 1.402 11.017 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.206 2.988 11.078 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.601 1.752 12.211 1.00 10.00 H new ATOM 0 HG3 ARG A 68 3.962 1.644 10.583 1.00 10.00 H new ATOM 0 HD2 ARG A 68 5.066 -0.571 10.278 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.755 -0.461 11.886 1.00 10.00 H new ATOM 0 HE ARG A 68 2.793 -0.608 11.360 1.00 10.00 H new ATOM 0 HH11 ARG A 68 5.624 -1.877 13.078 1.00 10.00 H new ATOM 0 HH12 ARG A 68 4.648 -2.663 14.324 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.580 -1.431 13.115 1.00 10.00 H new ATOM 0 HH22 ARG A 68 2.385 -2.413 14.344 1.00 10.00 H new ATOM 1043 N GLU A 69 7.876 3.791 8.762 1.00 10.00 N ATOM 1044 CA GLU A 69 8.499 5.023 8.306 1.00 10.00 C ATOM 1045 C GLU A 69 8.315 5.144 6.794 1.00 10.00 C ATOM 1046 O GLU A 69 7.759 6.126 6.303 1.00 10.00 O ATOM 1047 CB GLU A 69 9.980 5.036 8.730 1.00 10.00 C ATOM 1048 CG GLU A 69 10.565 6.452 8.859 1.00 10.00 C ATOM 1049 CD GLU A 69 9.916 7.257 9.974 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.502 6.664 10.998 1.00 10.00 O ATOM 1051 OE2 GLU A 69 9.710 8.476 9.793 1.00 10.00 O ATOM 0 H GLU A 69 8.531 3.179 9.249 1.00 10.00 H new ATOM 0 HA GLU A 69 8.027 5.892 8.764 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.082 4.520 9.685 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.564 4.474 8.001 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.637 6.382 9.044 1.00 10.00 H new ATOM 0 HG3 GLU A 69 10.438 6.980 7.914 1.00 10.00 H new ATOM 1058 N LEU A 70 8.710 4.099 6.064 1.00 10.00 N ATOM 1059 CA LEU A 70 8.502 4.018 4.626 1.00 10.00 C ATOM 1060 C LEU A 70 7.043 4.309 4.254 1.00 10.00 C ATOM 1061 O LEU A 70 6.764 5.000 3.279 1.00 10.00 O ATOM 1062 CB LEU A 70 8.944 2.644 4.086 1.00 10.00 C ATOM 1063 CG LEU A 70 10.119 2.696 3.095 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.034 3.864 2.103 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.446 2.749 3.853 1.00 10.00 C ATOM 0 H LEU A 70 9.183 3.286 6.459 1.00 10.00 H new ATOM 0 HA LEU A 70 9.120 4.784 4.158 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.223 2.010 4.927 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.093 2.169 3.597 1.00 10.00 H new ATOM 0 HG LEU A 70 10.061 1.783 2.503 1.00 10.00 H new ATOM 0 HD11 LEU A 70 10.895 3.838 1.435 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.118 3.779 1.518 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.028 4.807 2.650 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.271 2.786 3.141 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.470 3.639 4.482 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.544 1.861 4.477 1.00 10.00 H new ATOM 1077 N SER A 71 6.101 3.809 5.051 1.00 10.00 N ATOM 1078 CA SER A 71 4.680 4.036 4.853 1.00 10.00 C ATOM 1079 C SER A 71 4.373 5.534 4.864 1.00 10.00 C ATOM 1080 O SER A 71 3.623 5.998 4.009 1.00 10.00 O ATOM 1081 CB SER A 71 3.870 3.217 5.876 1.00 10.00 C ATOM 1082 OG SER A 71 3.061 2.251 5.232 1.00 10.00 O ATOM 0 H SER A 71 6.311 3.227 5.862 1.00 10.00 H new ATOM 0 HA SER A 71 4.373 3.681 3.869 1.00 10.00 H new ATOM 0 HB2 SER A 71 4.550 2.722 6.570 1.00 10.00 H new ATOM 0 HB3 SER A 71 3.243 3.885 6.466 1.00 10.00 H new ATOM 0 HG SER A 71 2.316 2.698 4.778 1.00 10.00 H new ATOM 1088 N LYS A 72 4.979 6.303 5.774 1.00 10.00 N ATOM 1089 CA LYS A 72 4.869 7.762 5.721 1.00 10.00 C ATOM 1090 C LYS A 72 5.295 8.256 4.340 1.00 10.00 C ATOM 1091 O LYS A 72 4.547 8.948 3.658 1.00 10.00 O ATOM 1092 CB LYS A 72 5.729 8.435 6.797 1.00 10.00 C ATOM 1093 CG LYS A 72 5.574 7.792 8.175 1.00 10.00 C ATOM 1094 CD LYS A 72 6.444 8.570 9.170 1.00 10.00 C ATOM 1095 CE LYS A 72 6.496 7.896 10.548 1.00 10.00 C ATOM 1096 NZ LYS A 72 7.642 8.383 11.341 1.00 10.00 N ATOM 0 H LYS A 72 5.543 5.945 6.545 1.00 10.00 H new ATOM 0 HA LYS A 72 3.829 8.028 5.910 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.776 8.391 6.497 1.00 10.00 H new ATOM 0 HB3 LYS A 72 5.460 9.489 6.862 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.530 7.811 8.488 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.878 6.746 8.142 1.00 10.00 H new ATOM 0 HD2 LYS A 72 7.455 8.659 8.773 1.00 10.00 H new ATOM 0 HD3 LYS A 72 6.053 9.582 9.277 1.00 10.00 H new ATOM 0 HE2 LYS A 72 5.569 8.093 11.086 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.570 6.816 10.424 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 8.133 7.575 11.774 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 8.301 8.896 10.721 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 7.301 9.022 12.087 1.00 10.00 H new ATOM 1110 N THR A 73 6.498 7.866 3.928 1.00 10.00 N ATOM 1111 CA THR A 73 7.090 8.242 2.650 1.00 10.00 C ATOM 1112 C THR A 73 6.142 7.934 1.484 1.00 10.00 C ATOM 1113 O THR A 73 6.012 8.733 0.560 1.00 10.00 O ATOM 1114 CB THR A 73 8.445 7.532 2.497 1.00 10.00 C ATOM 1115 OG1 THR A 73 9.101 7.524 3.752 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.347 8.225 1.474 1.00 10.00 C ATOM 0 H THR A 73 7.102 7.265 4.488 1.00 10.00 H new ATOM 0 HA THR A 73 7.257 9.319 2.630 1.00 10.00 H new ATOM 0 HB THR A 73 8.254 6.519 2.144 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.966 7.072 3.666 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.293 7.688 1.400 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.856 8.231 0.501 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.536 9.251 1.791 1.00 10.00 H new ATOM 1124 N PHE A 74 5.478 6.776 1.528 1.00 10.00 N ATOM 1125 CA PHE A 74 4.552 6.336 0.493 1.00 10.00 C ATOM 1126 C PHE A 74 3.178 6.994 0.569 1.00 10.00 C ATOM 1127 O PHE A 74 2.368 6.751 -0.327 1.00 10.00 O ATOM 1128 CB PHE A 74 4.355 4.826 0.593 1.00 10.00 C ATOM 1129 CG PHE A 74 5.606 3.983 0.525 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.631 4.261 -0.401 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.674 2.827 1.315 1.00 10.00 C ATOM 1132 CE1 PHE A 74 7.753 3.418 -0.478 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.736 1.933 1.152 1.00 10.00 C ATOM 1134 CZ PHE A 74 7.814 2.265 0.323 1.00 10.00 C ATOM 0 H PHE A 74 5.573 6.112 2.296 1.00 10.00 H new ATOM 0 HA PHE A 74 5.004 6.630 -0.454 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.846 4.609 1.532 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.688 4.514 -0.210 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.555 5.120 -1.051 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.907 2.627 2.049 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.565 3.655 -1.150 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.725 0.984 1.667 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.691 1.636 0.299 1.00 10.00 H new ATOM 1144 N ILE A 75 2.870 7.767 1.619 1.00 10.00 N ATOM 1145 CA ILE A 75 1.605 8.505 1.638 1.00 10.00 C ATOM 1146 C ILE A 75 1.440 9.329 0.364 1.00 10.00 C ATOM 1147 O ILE A 75 2.267 10.182 0.052 1.00 10.00 O ATOM 1148 CB ILE A 75 1.460 9.414 2.873 1.00 10.00 C ATOM 1149 CG1 ILE A 75 1.219 8.618 4.159 1.00 10.00 C ATOM 1150 CG2 ILE A 75 0.328 10.447 2.706 1.00 10.00 C ATOM 1151 CD1 ILE A 75 -0.004 7.709 4.134 1.00 10.00 C ATOM 0 H ILE A 75 3.460 7.895 2.441 1.00 10.00 H new ATOM 0 HA ILE A 75 0.814 7.757 1.693 1.00 10.00 H new ATOM 0 HB ILE A 75 2.412 9.939 2.957 1.00 10.00 H new ATOM 0 HG12 ILE A 75 2.101 8.010 4.363 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.116 9.318 4.988 1.00 10.00 H new ATOM 0 HG21 ILE A 75 0.264 11.065 3.602 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.537 11.079 1.843 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.619 9.928 2.555 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -0.090 7.188 5.088 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.899 8.308 3.965 1.00 10.00 H new ATOM 0 HD13 ILE A 75 0.101 6.980 3.331 1.00 10.00 H new ATOM 1163 N ILE A 76 0.328 9.096 -0.334 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.045 9.837 -1.530 1.00 10.00 C ATOM 1165 C ILE A 76 -1.376 10.572 -1.349 1.00 10.00 C ATOM 1166 O ILE A 76 -1.654 11.502 -2.109 1.00 10.00 O ATOM 1167 CB ILE A 76 -0.093 8.884 -2.734 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.843 7.592 -2.364 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.328 8.568 -3.222 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.414 6.877 -3.582 1.00 10.00 C ATOM 0 H ILE A 76 -0.346 8.375 -0.077 1.00 10.00 H new ATOM 0 HA ILE A 76 0.712 10.600 -1.713 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.632 9.372 -3.546 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.165 6.920 -1.838 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.653 7.831 -1.675 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.278 7.892 -4.075 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.824 9.492 -3.520 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.892 8.096 -2.418 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.932 5.973 -3.263 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -2.115 7.535 -4.095 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.604 6.611 -4.261 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.213 10.174 -0.388 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.601 10.616 -0.301 1.00 10.00 C ATOM 1184 C GLY A 77 -4.337 9.661 0.634 1.00 10.00 C ATOM 1185 O GLY A 77 -3.655 8.936 1.365 1.00 10.00 O ATOM 0 H GLY A 77 -1.942 9.531 0.356 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.654 11.637 0.077 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.064 10.617 -1.288 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.682 9.637 0.641 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.394 8.988 1.718 1.00 10.00 C ATOM 1191 C GLU A 78 -7.605 8.200 1.221 1.00 10.00 C ATOM 1192 O GLU A 78 -8.093 8.443 0.129 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.842 10.088 2.684 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.737 11.053 3.164 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.331 12.150 2.179 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -6.005 12.304 1.136 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.333 12.838 2.470 1.00 10.00 O ATOM 0 H GLU A 78 -6.273 10.054 -0.078 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.738 8.266 2.205 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.624 10.673 2.200 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.291 9.617 3.558 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -6.072 11.527 4.087 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.852 10.467 3.409 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.089 7.264 2.038 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.244 6.413 1.759 1.00 10.00 C ATOM 1206 C LEU A 79 -10.520 7.224 1.862 1.00 10.00 C ATOM 1207 O LEU A 79 -10.917 7.585 2.968 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.293 5.312 2.821 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.596 4.501 2.802 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.632 3.519 1.634 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -10.760 3.789 4.139 1.00 10.00 C ATOM 0 H LEU A 79 -7.670 7.071 2.948 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.156 5.994 0.757 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.451 4.636 2.671 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.169 5.762 3.806 1.00 10.00 H new ATOM 0 HG LEU A 79 -11.435 5.182 2.656 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.570 2.963 1.654 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.556 4.067 0.695 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.797 2.824 1.717 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.684 3.211 4.132 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -9.915 3.120 4.301 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -10.799 4.526 4.941 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.181 7.509 0.744 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.345 8.364 0.806 1.00 10.00 C ATOM 1225 C HIS A 80 -13.458 7.767 1.665 1.00 10.00 C ATOM 1226 O HIS A 80 -13.933 6.692 1.330 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.870 8.655 -0.596 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.914 9.730 -0.573 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.270 9.560 -0.406 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.624 11.042 -0.330 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.779 10.754 -0.055 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.816 11.688 0.008 1.00 10.00 N ATOM 0 H HIS A 80 -10.935 7.169 -0.186 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.030 9.295 1.276 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.045 8.960 -1.240 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.290 7.746 -1.025 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.647 11.499 -0.389 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.824 10.938 0.149 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.932 12.671 0.253 1.00 10.00 H new ATOM 1240 N PRO A 81 -13.941 8.458 2.711 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.884 7.907 3.673 1.00 10.00 C ATOM 1242 C PRO A 81 -16.209 7.349 3.202 1.00 10.00 C ATOM 1243 O PRO A 81 -16.948 6.765 3.988 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.268 9.092 4.538 1.00 10.00 C ATOM 1245 CG PRO A 81 -13.984 9.900 4.627 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.425 9.726 3.217 1.00 10.00 C ATOM 0 HA PRO A 81 -14.364 7.053 4.107 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.076 9.671 4.090 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.611 8.775 5.523 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -14.172 10.946 4.869 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.307 9.514 5.389 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -13.732 10.552 2.575 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.335 9.721 3.231 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.533 7.548 1.936 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.607 6.791 1.327 1.00 10.00 C ATOM 1256 C ASP A 82 -17.369 5.290 1.576 1.00 10.00 C ATOM 1257 O ASP A 82 -18.304 4.518 1.774 1.00 10.00 O ATOM 1258 CB ASP A 82 -17.681 7.138 -0.162 1.00 10.00 C ATOM 1259 CG ASP A 82 -18.828 6.411 -0.845 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -19.982 6.822 -0.599 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -18.521 5.490 -1.631 1.00 10.00 O ATOM 0 H ASP A 82 -16.074 8.218 1.319 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.569 7.047 1.770 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -17.808 8.214 -0.280 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -16.741 6.873 -0.646 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.084 4.920 1.651 1.00 10.00 N ATOM 1267 CA ASP A 83 -15.580 3.663 2.152 1.00 10.00 C ATOM 1268 C ASP A 83 -16.061 3.361 3.576 1.00 10.00 C ATOM 1269 O ASP A 83 -16.802 2.402 3.795 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.047 3.740 2.096 1.00 10.00 C ATOM 1271 CG ASP A 83 -13.463 2.329 1.996 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -13.474 1.802 0.868 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -12.969 1.793 3.016 1.00 10.00 O ATOM 0 H ASP A 83 -15.334 5.538 1.341 1.00 10.00 H new ATOM 0 HA ASP A 83 -15.958 2.847 1.537 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -13.734 4.335 1.238 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -13.666 4.240 2.986 1.00 10.00 H new ATOM 1278 N ARG A 84 -15.582 4.140 4.552 1.00 10.00 N ATOM 1279 CA ARG A 84 -15.746 3.921 5.981 1.00 10.00 C ATOM 1280 C ARG A 84 -15.592 5.266 6.686 1.00 10.00 C ATOM 1281 O ARG A 84 -14.660 5.998 6.284 1.00 10.00 O ATOM 1282 CB ARG A 84 -14.633 2.999 6.495 1.00 10.00 C ATOM 1283 CG ARG A 84 -14.743 1.556 6.008 1.00 10.00 C ATOM 1284 CD ARG A 84 -13.514 0.768 6.461 1.00 10.00 C ATOM 1285 NE ARG A 84 -12.480 1.038 5.471 1.00 10.00 N ATOM 1286 CZ ARG A 84 -11.326 0.411 5.271 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -10.706 -0.247 6.248 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -10.803 0.460 4.052 1.00 10.00 N ATOM 1289 OXT ARG A 84 -16.356 5.512 7.645 1.00 10.00 O ATOM 0 H ARG A 84 -15.043 4.982 4.349 1.00 10.00 H new ATOM 0 HA ARG A 84 -16.721 3.474 6.173 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -13.669 3.403 6.185 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -14.645 3.005 7.585 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -15.649 1.096 6.403 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -14.822 1.533 4.921 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.194 1.080 7.455 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.732 -0.298 6.517 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.669 1.819 4.843 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -11.116 -0.279 7.181 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -9.821 -0.719 6.063 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -11.286 0.966 3.310 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.918 -0.009 3.857 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 5.989 -6.241 4.052 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.363 -8.335 5.548 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.314 -3.634 4.238 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.546 -4.049 3.071 1.00 10.00 C HETATM 1308 CHD HEM A 201 3.910 -8.951 3.558 1.00 10.00 C HETATM 1309 NA HEM A 201 7.980 -6.031 4.737 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.710 -7.013 5.332 1.00 10.00 C HETATM 1311 C2A HEM A 201 9.978 -6.450 5.733 1.00 10.00 C HETATM 1312 C3A HEM A 201 9.991 -5.142 5.310 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.705 -4.875 4.712 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.111 -4.143 5.490 1.00 10.00 C HETATM 1315 CAA HEM A 201 11.050 -7.151 6.545 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.967 -6.829 8.035 1.00 10.00 C HETATM 1317 CGA HEM A 201 9.577 -6.879 8.658 1.00 10.00 C HETATM 1318 O1A HEM A 201 8.901 -7.913 8.482 1.00 10.00 O HETATM 1319 O2A HEM A 201 9.233 -5.877 9.325 1.00 10.00 O HETATM 1320 NB HEM A 201 5.955 -4.228 3.667 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.023 -3.364 3.781 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.573 -2.052 3.385 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.238 -2.183 3.077 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.836 -3.551 3.274 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.398 -0.788 3.404 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.377 -1.147 2.385 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.910 -0.083 3.070 1.00 10.00 C HETATM 1328 NC HEM A 201 4.064 -6.454 3.477 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.234 -5.409 3.162 1.00 10.00 C HETATM 1330 C2C HEM A 201 1.928 -5.963 2.907 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.070 -7.328 2.963 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.411 -7.655 3.362 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.668 -5.184 2.646 1.00 10.00 C HETATM 1334 CAC HEM A 201 0.993 -8.340 2.657 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.705 -8.606 1.367 1.00 10.00 C HETATM 1336 ND HEM A 201 6.126 -8.296 4.454 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.172 -9.206 4.105 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.696 -10.515 4.420 1.00 10.00 C HETATM 1339 C3D HEM A 201 6.917 -10.335 5.031 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.192 -8.916 5.046 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.062 -11.852 4.116 1.00 10.00 C HETATM 1342 CAD HEM A 201 7.846 -11.439 5.476 1.00 10.00 C HETATM 1343 CBD HEM A 201 7.684 -11.802 6.952 1.00 10.00 C HETATM 1344 CGD HEM A 201 8.562 -13.001 7.285 1.00 10.00 C HETATM 1345 O1D HEM A 201 7.987 -14.039 7.676 1.00 10.00 O HETATM 1346 O2D HEM A 201 9.793 -12.864 7.112 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.067 -3.400 4.694 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.070 -4.660 5.451 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.005 -3.648 6.455 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.140 -0.850 4.200 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.747 0.069 3.580 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 7.903 -0.669 2.446 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.010 -5.762 1.997 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.918 -4.240 2.161 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.162 -4.984 3.590 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 3.977 -11.748 4.115 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.357 -12.576 4.876 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.394 -12.198 3.137 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.291 0.660 2.567 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 4.152 0.034 4.126 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -0.069 -9.333 1.120 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.246 -8.094 0.571 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.378 -5.832 8.193 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 11.609 -7.527 8.573 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 12.032 -6.862 6.169 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 10.960 -8.228 6.405 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 6.641 -12.032 7.167 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 7.959 -10.953 7.578 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 8.876 -11.134 5.294 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 7.664 -12.325 4.868 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.030 -8.950 6.134 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.043 -2.837 4.221 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.755 -3.353 2.833 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.292 -9.790 3.274 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.134 -1.262 1.329 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.459 -8.845 3.462 1.00 10.00 H new