USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 661 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 49 GLN : amide:sc= -0.505 K(o=-0.53,f=-4!) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.0288 K(o=-0.53,f=-3.1!) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot -60:sc= 1.2 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 171:sc= 0.0135 USER MOD Single : A 8 THR OG1 : rot -121:sc= 1.95 USER MOD Single : A 13 GLN : amide:sc= 1.14 K(o=1.1,f=-0.01) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -0.811 K(o=-0.81,f=-1.9) USER MOD Single : A 16 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.35) USER MOD Single : A 17 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.1!) 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 46:sc= 0.413 USER MOD Single : A 21 THR OG1 : rot 77:sc= 0.217 USER MOD Single : A 26 HIS : no HE2:sc= -0.496 X(o=-0.5,f=-0.55) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 37:sc= 0.139 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 28:sc= 0.742 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0356 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 80 HIS : no HD1:sc= -0.971 K(o=-0.97,f=-5.1!) USER MOD Single : A 201 HEM CMA :methyl 150:sc= -0.444 (180deg=-0.444) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.0814 (180deg=-0.795) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.583 (180deg=-0.583) USER MOD Single : A 201 HEM CMD :methyl 150:sc= -0.0531 (180deg=-0.0531) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 0.450 -10.722 -19.465 1.00 10.00 N ATOM 2 CA ALA A 3 -0.665 -9.764 -19.395 1.00 10.00 C ATOM 3 C ALA A 3 -0.362 -8.817 -18.244 1.00 10.00 C ATOM 4 O ALA A 3 0.481 -9.182 -17.425 1.00 10.00 O ATOM 5 CB ALA A 3 -0.925 -9.070 -20.736 1.00 10.00 C ATOM 0 HA ALA A 3 -1.608 -10.273 -19.196 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -1.757 -8.374 -20.630 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -0.032 -8.525 -21.043 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -1.171 -9.817 -21.491 1.00 10.00 H new ATOM 13 N VAL A 4 -1.081 -7.700 -18.119 1.00 10.00 N ATOM 14 CA VAL A 4 -1.420 -7.220 -16.788 1.00 10.00 C ATOM 15 C VAL A 4 -2.143 -8.370 -16.073 1.00 10.00 C ATOM 16 O VAL A 4 -2.794 -9.188 -16.725 1.00 10.00 O ATOM 17 CB VAL A 4 -2.281 -5.945 -16.892 1.00 10.00 C ATOM 18 CG1 VAL A 4 -3.577 -6.151 -17.697 1.00 10.00 C ATOM 19 CG2 VAL A 4 -2.601 -5.356 -15.511 1.00 10.00 C ATOM 0 H VAL A 4 -1.426 -7.133 -18.893 1.00 10.00 H new ATOM 0 HA VAL A 4 -0.536 -6.940 -16.215 1.00 10.00 H new ATOM 0 HB VAL A 4 -1.671 -5.229 -17.443 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -4.136 -5.216 -17.732 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -3.329 -6.464 -18.711 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -4.184 -6.919 -17.218 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -3.209 -4.459 -15.630 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -3.149 -6.090 -14.920 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -1.673 -5.100 -15.001 1.00 10.00 H new ATOM 29 N LYS A 5 -2.003 -8.469 -14.754 1.00 10.00 N ATOM 30 CA LYS A 5 -2.714 -9.451 -13.961 1.00 10.00 C ATOM 31 C LYS A 5 -3.117 -8.747 -12.676 1.00 10.00 C ATOM 32 O LYS A 5 -2.304 -8.559 -11.775 1.00 10.00 O ATOM 33 CB LYS A 5 -1.843 -10.692 -13.731 1.00 10.00 C ATOM 34 CG LYS A 5 -2.590 -11.757 -12.916 1.00 10.00 C ATOM 35 CD LYS A 5 -1.678 -12.965 -12.675 1.00 10.00 C ATOM 36 CE LYS A 5 -2.415 -14.030 -11.848 1.00 10.00 C ATOM 37 NZ LYS A 5 -1.521 -15.129 -11.426 1.00 10.00 N ATOM 0 H LYS A 5 -1.389 -7.865 -14.208 1.00 10.00 H new ATOM 0 HA LYS A 5 -3.606 -9.824 -14.465 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -1.543 -11.111 -14.692 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.930 -10.406 -13.209 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.912 -11.338 -11.963 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -3.489 -12.069 -13.447 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -1.363 -13.388 -13.629 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.775 -12.649 -12.153 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -2.854 -13.563 -10.967 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -3.237 -14.438 -12.435 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.062 -15.823 -10.871 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -1.121 -15.593 -12.266 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -0.750 -14.745 -10.843 1.00 10.00 H new ATOM 51 N TYR A 6 -4.373 -8.315 -12.637 1.00 10.00 N ATOM 52 CA TYR A 6 -4.970 -7.708 -11.467 1.00 10.00 C ATOM 53 C TYR A 6 -4.949 -8.692 -10.297 1.00 10.00 C ATOM 54 O TYR A 6 -4.795 -9.896 -10.507 1.00 10.00 O ATOM 55 CB TYR A 6 -6.397 -7.302 -11.824 1.00 10.00 C ATOM 56 CG TYR A 6 -6.550 -6.552 -13.130 1.00 10.00 C ATOM 57 CD1 TYR A 6 -5.914 -5.313 -13.297 1.00 10.00 C ATOM 58 CD2 TYR A 6 -7.277 -7.113 -14.196 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.033 -4.612 -14.509 1.00 10.00 C ATOM 60 CE2 TYR A 6 -7.421 -6.402 -15.398 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.790 -5.158 -15.560 1.00 10.00 C ATOM 62 OH TYR A 6 -6.845 -4.527 -16.766 1.00 10.00 O ATOM 0 H TYR A 6 -5.009 -8.381 -13.432 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.407 -6.826 -11.160 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -7.013 -8.200 -11.866 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.792 -6.682 -11.020 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -5.330 -4.896 -12.490 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -7.724 -8.090 -14.090 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.544 -3.657 -14.633 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -8.018 -6.812 -16.199 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.411 -5.041 -17.379 1.00 10.00 H new ATOM 72 N TYR A 7 -5.119 -8.185 -9.075 1.00 10.00 N ATOM 73 CA TYR A 7 -5.124 -9.006 -7.873 1.00 10.00 C ATOM 74 C TYR A 7 -6.454 -8.822 -7.151 1.00 10.00 C ATOM 75 O TYR A 7 -6.986 -7.711 -7.091 1.00 10.00 O ATOM 76 CB TYR A 7 -3.934 -8.646 -6.985 1.00 10.00 C ATOM 77 CG TYR A 7 -2.607 -8.657 -7.713 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.992 -9.875 -8.061 1.00 10.00 C ATOM 79 CD2 TYR A 7 -2.021 -7.441 -8.100 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.771 -9.871 -8.758 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.804 -7.440 -8.793 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.174 -8.651 -9.121 1.00 10.00 C ATOM 83 OH TYR A 7 1.045 -8.635 -9.732 1.00 10.00 O ATOM 0 H TYR A 7 -5.257 -7.190 -8.895 1.00 10.00 H new ATOM 0 HA TYR A 7 -5.021 -10.059 -8.135 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -4.096 -7.656 -6.559 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.888 -9.348 -6.152 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.458 -10.812 -7.793 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.509 -6.507 -7.863 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -0.292 -10.804 -9.014 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.348 -6.503 -9.077 1.00 10.00 H new ATOM 0 HH TYR A 7 1.243 -7.727 -10.043 1.00 10.00 H new ATOM 93 N THR A 8 -7.020 -9.930 -6.677 1.00 10.00 N ATOM 94 CA THR A 8 -8.284 -9.950 -5.961 1.00 10.00 C ATOM 95 C THR A 8 -8.046 -9.392 -4.559 1.00 10.00 C ATOM 96 O THR A 8 -6.925 -9.462 -4.048 1.00 10.00 O ATOM 97 CB THR A 8 -8.812 -11.396 -5.908 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.927 -12.190 -5.136 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.043 -11.983 -7.310 1.00 10.00 C ATOM 0 H THR A 8 -6.601 -10.854 -6.784 1.00 10.00 H new ATOM 0 HA THR A 8 -9.032 -9.337 -6.464 1.00 10.00 H new ATOM 0 HB THR A 8 -9.790 -11.392 -5.427 1.00 10.00 H new ATOM 0 HG1 THR A 8 -7.585 -12.926 -5.685 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.415 -13.004 -7.220 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.775 -11.376 -7.843 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.103 -11.987 -7.862 1.00 10.00 H new ATOM 107 N LEU A 9 -9.095 -8.869 -3.914 1.00 10.00 N ATOM 108 CA LEU A 9 -9.005 -8.456 -2.523 1.00 10.00 C ATOM 109 C LEU A 9 -8.414 -9.590 -1.689 1.00 10.00 C ATOM 110 O LEU A 9 -7.596 -9.330 -0.819 1.00 10.00 O ATOM 111 CB LEU A 9 -10.385 -8.045 -1.992 1.00 10.00 C ATOM 112 CG LEU A 9 -10.372 -6.648 -1.340 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.781 -6.246 -0.889 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.436 -6.576 -0.126 1.00 10.00 C ATOM 0 H LEU A 9 -10.011 -8.725 -4.339 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.349 -7.589 -2.449 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.104 -8.054 -2.811 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.724 -8.780 -1.262 1.00 10.00 H new ATOM 0 HG LEU A 9 -10.006 -5.961 -2.103 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.748 -5.257 -0.432 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.447 -6.225 -1.752 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.151 -6.970 -0.162 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.464 -5.571 0.296 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.760 -7.295 0.627 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.418 -6.811 -0.437 1.00 10.00 H new ATOM 126 N GLU A 10 -8.800 -10.837 -1.982 1.00 10.00 N ATOM 127 CA GLU A 10 -8.255 -12.019 -1.329 1.00 10.00 C ATOM 128 C GLU A 10 -6.741 -12.108 -1.526 1.00 10.00 C ATOM 129 O GLU A 10 -5.984 -12.098 -0.557 1.00 10.00 O ATOM 130 CB GLU A 10 -8.949 -13.282 -1.845 1.00 10.00 C ATOM 131 CG GLU A 10 -8.671 -14.492 -0.939 1.00 10.00 C ATOM 132 CD GLU A 10 -9.235 -14.334 0.468 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.430 -13.980 0.565 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.455 -14.571 1.417 1.00 10.00 O ATOM 0 H GLU A 10 -9.506 -11.049 -2.686 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.445 -11.935 -0.259 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.024 -13.109 -1.902 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.606 -13.498 -2.857 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.098 -15.385 -1.396 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.594 -14.650 -0.876 1.00 10.00 H new ATOM 141 N GLU A 11 -6.287 -12.195 -2.779 1.00 10.00 N ATOM 142 CA GLU A 11 -4.863 -12.296 -3.079 1.00 10.00 C ATOM 143 C GLU A 11 -4.088 -11.214 -2.329 1.00 10.00 C ATOM 144 O GLU A 11 -3.083 -11.486 -1.679 1.00 10.00 O ATOM 145 CB GLU A 11 -4.606 -12.173 -4.590 1.00 10.00 C ATOM 146 CG GLU A 11 -4.169 -13.510 -5.194 1.00 10.00 C ATOM 147 CD GLU A 11 -5.305 -14.521 -5.168 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.360 -14.186 -5.755 1.00 10.00 O ATOM 149 OE2 GLU A 11 -5.092 -15.595 -4.566 1.00 10.00 O ATOM 0 H GLU A 11 -6.890 -12.197 -3.602 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.518 -13.277 -2.752 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.512 -11.826 -5.087 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.836 -11.422 -4.770 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.838 -13.357 -6.221 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.317 -13.902 -4.639 1.00 10.00 H new ATOM 156 N ILE A 12 -4.572 -9.978 -2.412 1.00 10.00 N ATOM 157 CA ILE A 12 -3.949 -8.856 -1.735 1.00 10.00 C ATOM 158 C ILE A 12 -3.996 -9.079 -0.210 1.00 10.00 C ATOM 159 O ILE A 12 -2.977 -8.939 0.460 1.00 10.00 O ATOM 160 CB ILE A 12 -4.624 -7.550 -2.191 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.576 -7.404 -3.728 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.940 -6.325 -1.568 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.641 -6.432 -4.232 1.00 10.00 C ATOM 0 H ILE A 12 -5.403 -9.732 -2.949 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.895 -8.775 -2.000 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.661 -7.600 -1.859 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.589 -7.053 -4.030 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.723 -8.379 -4.192 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.439 -5.417 -1.908 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.002 -6.387 -0.482 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.893 -6.299 -1.871 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.578 -6.354 -5.317 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.629 -6.797 -3.951 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.477 -5.450 -3.787 1.00 10.00 H new ATOM 175 N GLN A 13 -5.153 -9.455 0.348 1.00 10.00 N ATOM 176 CA GLN A 13 -5.349 -9.748 1.760 1.00 10.00 C ATOM 177 C GLN A 13 -4.309 -10.741 2.257 1.00 10.00 C ATOM 178 O GLN A 13 -3.754 -10.542 3.331 1.00 10.00 O ATOM 179 CB GLN A 13 -6.759 -10.295 2.025 1.00 10.00 C ATOM 180 CG GLN A 13 -7.843 -9.229 2.239 1.00 10.00 C ATOM 181 CD GLN A 13 -8.460 -9.337 3.632 1.00 10.00 C ATOM 182 OE1 GLN A 13 -9.401 -10.093 3.844 1.00 10.00 O ATOM 183 NE2 GLN A 13 -7.939 -8.599 4.606 1.00 10.00 N ATOM 0 H GLN A 13 -6.007 -9.566 -0.199 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.233 -8.812 2.306 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.051 -10.924 1.184 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.723 -10.936 2.906 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.412 -8.237 2.106 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.621 -9.342 1.484 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -7.156 -7.976 4.410 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -8.322 -8.656 5.550 1.00 10.00 H new ATOM 192 N LYS A 14 -4.015 -11.795 1.491 1.00 10.00 N ATOM 193 CA LYS A 14 -3.018 -12.790 1.876 1.00 10.00 C ATOM 194 C LYS A 14 -1.682 -12.120 2.259 1.00 10.00 C ATOM 195 O LYS A 14 -0.957 -12.628 3.112 1.00 10.00 O ATOM 196 CB LYS A 14 -2.861 -13.837 0.758 1.00 10.00 C ATOM 197 CG LYS A 14 -4.162 -14.611 0.466 1.00 10.00 C ATOM 198 CD LYS A 14 -4.392 -15.786 1.431 1.00 10.00 C ATOM 199 CE LYS A 14 -4.149 -17.140 0.740 1.00 10.00 C ATOM 200 NZ LYS A 14 -3.431 -18.095 1.607 1.00 10.00 N ATOM 0 H LYS A 14 -4.460 -11.980 0.592 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.361 -13.314 2.768 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.529 -13.339 -0.153 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.080 -14.544 1.038 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -5.008 -13.926 0.528 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.132 -14.988 -0.556 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.726 -15.689 2.289 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -5.412 -15.750 1.814 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -5.106 -17.571 0.445 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -3.575 -16.981 -0.173 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -3.292 -18.990 1.097 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -2.506 -17.698 1.869 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -3.989 -18.270 2.467 1.00 10.00 H new ATOM 214 N HIS A 15 -1.383 -10.952 1.682 1.00 10.00 N ATOM 215 CA HIS A 15 -0.192 -10.160 1.953 1.00 10.00 C ATOM 216 C HIS A 15 -0.510 -9.154 3.068 1.00 10.00 C ATOM 217 O HIS A 15 -0.665 -7.959 2.808 1.00 10.00 O ATOM 218 CB HIS A 15 0.272 -9.452 0.665 1.00 10.00 C ATOM 219 CG HIS A 15 0.703 -10.349 -0.476 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.767 -10.108 -1.316 1.00 10.00 N ATOM 221 CD2 HIS A 15 0.066 -11.468 -0.950 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.777 -11.070 -2.254 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.766 -11.929 -2.067 1.00 10.00 N ATOM 0 H HIS A 15 -1.992 -10.520 0.987 1.00 10.00 H new ATOM 0 HA HIS A 15 0.623 -10.802 2.286 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.540 -8.817 0.312 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.104 -8.795 0.917 1.00 10.00 H new ATOM 0 HD1 HIS A 15 2.430 -9.336 -1.240 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.823 -11.915 -0.531 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.502 -11.141 -3.051 1.00 10.00 H new ATOM 231 N ASN A 16 -0.597 -9.646 4.312 1.00 10.00 N ATOM 232 CA ASN A 16 -0.906 -8.832 5.493 1.00 10.00 C ATOM 233 C ASN A 16 -0.088 -9.253 6.714 1.00 10.00 C ATOM 234 O ASN A 16 -0.551 -9.106 7.841 1.00 10.00 O ATOM 235 CB ASN A 16 -2.410 -8.905 5.827 1.00 10.00 C ATOM 236 CG ASN A 16 -2.818 -10.244 6.448 1.00 10.00 C ATOM 237 OD1 ASN A 16 -3.180 -10.321 7.618 1.00 10.00 O ATOM 238 ND2 ASN A 16 -2.751 -11.315 5.667 1.00 10.00 N ATOM 0 H ASN A 16 -0.453 -10.633 4.527 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.637 -7.805 5.247 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.664 -8.099 6.515 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.987 -8.741 4.917 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.004 -12.232 6.036 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -2.447 -11.221 4.698 1.00 10.00 H new ATOM 245 N ASN A 17 1.123 -9.777 6.542 1.00 10.00 N ATOM 246 CA ASN A 17 1.863 -10.396 7.645 1.00 10.00 C ATOM 247 C ASN A 17 3.264 -10.740 7.162 1.00 10.00 C ATOM 248 O ASN A 17 3.521 -10.662 5.962 1.00 10.00 O ATOM 249 CB ASN A 17 1.144 -11.671 8.150 1.00 10.00 C ATOM 250 CG ASN A 17 0.580 -11.572 9.571 1.00 10.00 C ATOM 251 OD1 ASN A 17 0.724 -10.566 10.261 1.00 10.00 O ATOM 252 ND2 ASN A 17 -0.052 -12.645 10.038 1.00 10.00 N ATOM 0 H ASN A 17 1.616 -9.787 5.649 1.00 10.00 H new ATOM 0 HA ASN A 17 1.917 -9.694 8.477 1.00 10.00 H new ATOM 0 HB2 ASN A 17 0.328 -11.906 7.466 1.00 10.00 H new ATOM 0 HB3 ASN A 17 1.844 -12.506 8.110 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -0.428 -12.643 10.986 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -0.161 -13.470 9.448 1.00 10.00 H new ATOM 259 N SER A 18 4.152 -11.114 8.093 1.00 10.00 N ATOM 260 CA SER A 18 5.544 -11.493 7.859 1.00 10.00 C ATOM 261 C SER A 18 6.376 -10.316 7.345 1.00 10.00 C ATOM 262 O SER A 18 7.266 -9.826 8.033 1.00 10.00 O ATOM 263 CB SER A 18 5.635 -12.721 6.940 1.00 10.00 C ATOM 264 OG SER A 18 4.979 -13.813 7.556 1.00 10.00 O ATOM 0 H SER A 18 3.901 -11.161 9.081 1.00 10.00 H new ATOM 0 HA SER A 18 5.977 -11.777 8.818 1.00 10.00 H new ATOM 0 HB2 SER A 18 5.176 -12.503 5.975 1.00 10.00 H new ATOM 0 HB3 SER A 18 6.679 -12.970 6.748 1.00 10.00 H new ATOM 0 HG SER A 18 5.033 -14.598 6.972 1.00 10.00 H new ATOM 270 N LYS A 19 6.078 -9.871 6.128 1.00 10.00 N ATOM 271 CA LYS A 19 6.615 -8.678 5.511 1.00 10.00 C ATOM 272 C LYS A 19 5.680 -8.220 4.403 1.00 10.00 C ATOM 273 O LYS A 19 5.482 -7.017 4.256 1.00 10.00 O ATOM 274 CB LYS A 19 8.005 -8.937 4.919 1.00 10.00 C ATOM 275 CG LYS A 19 9.108 -8.298 5.767 1.00 10.00 C ATOM 276 CD LYS A 19 10.413 -8.299 4.959 1.00 10.00 C ATOM 277 CE LYS A 19 11.651 -8.404 5.864 1.00 10.00 C ATOM 278 NZ LYS A 19 12.713 -9.220 5.241 1.00 10.00 N ATOM 0 H LYS A 19 5.422 -10.362 5.521 1.00 10.00 H new ATOM 0 HA LYS A 19 6.703 -7.908 6.277 1.00 10.00 H new ATOM 0 HB2 LYS A 19 8.176 -10.011 4.848 1.00 10.00 H new ATOM 0 HB3 LYS A 19 8.049 -8.540 3.905 1.00 10.00 H new ATOM 0 HG2 LYS A 19 8.833 -7.279 6.039 1.00 10.00 H new ATOM 0 HG3 LYS A 19 9.239 -8.852 6.697 1.00 10.00 H new ATOM 0 HD2 LYS A 19 10.405 -9.134 4.258 1.00 10.00 H new ATOM 0 HD3 LYS A 19 10.473 -7.386 4.367 1.00 10.00 H new ATOM 0 HE2 LYS A 19 12.035 -7.406 6.074 1.00 10.00 H new ATOM 0 HE3 LYS A 19 11.367 -8.844 6.820 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 13.533 -9.269 5.879 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 12.354 -10.180 5.064 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 13.001 -8.786 4.341 1.00 10.00 H new ATOM 292 N SER A 20 5.196 -9.158 3.575 1.00 10.00 N ATOM 293 CA SER A 20 4.334 -8.902 2.433 1.00 10.00 C ATOM 294 C SER A 20 3.220 -7.941 2.835 1.00 10.00 C ATOM 295 O SER A 20 2.251 -8.371 3.460 1.00 10.00 O ATOM 296 CB SER A 20 3.781 -10.241 1.937 1.00 10.00 C ATOM 297 OG SER A 20 3.255 -10.962 3.030 1.00 10.00 O ATOM 0 H SER A 20 5.407 -10.149 3.695 1.00 10.00 H new ATOM 0 HA SER A 20 4.891 -8.432 1.622 1.00 10.00 H new ATOM 0 HB2 SER A 20 3.005 -10.073 1.190 1.00 10.00 H new ATOM 0 HB3 SER A 20 4.570 -10.816 1.453 1.00 10.00 H new ATOM 0 HG SER A 20 2.706 -10.366 3.581 1.00 10.00 H new ATOM 303 N THR A 21 3.399 -6.664 2.490 1.00 10.00 N ATOM 304 CA THR A 21 2.503 -5.573 2.823 1.00 10.00 C ATOM 305 C THR A 21 2.058 -4.949 1.509 1.00 10.00 C ATOM 306 O THR A 21 2.720 -4.061 0.966 1.00 10.00 O ATOM 307 CB THR A 21 3.196 -4.584 3.774 1.00 10.00 C ATOM 308 OG1 THR A 21 3.215 -5.146 5.072 1.00 10.00 O ATOM 309 CG2 THR A 21 2.485 -3.229 3.837 1.00 10.00 C ATOM 0 H THR A 21 4.208 -6.358 1.949 1.00 10.00 H new ATOM 0 HA THR A 21 1.620 -5.916 3.363 1.00 10.00 H new ATOM 0 HB THR A 21 4.203 -4.410 3.394 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.915 -5.830 5.122 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.017 -2.570 4.523 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.468 -2.781 2.844 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.463 -3.370 4.189 1.00 10.00 H new ATOM 317 N TRP A 22 0.948 -5.470 0.989 1.00 10.00 N ATOM 318 CA TRP A 22 0.234 -4.906 -0.140 1.00 10.00 C ATOM 319 C TRP A 22 -0.995 -4.192 0.403 1.00 10.00 C ATOM 320 O TRP A 22 -1.207 -4.195 1.610 1.00 10.00 O ATOM 321 CB TRP A 22 -0.166 -6.033 -1.084 1.00 10.00 C ATOM 322 CG TRP A 22 0.933 -6.712 -1.838 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.264 -6.607 -1.624 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.788 -7.552 -3.014 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.948 -7.299 -2.600 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.084 -7.882 -3.503 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.319 -8.049 -3.728 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.272 -8.642 -4.666 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.146 -8.849 -4.869 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.146 -9.117 -5.360 1.00 10.00 C ATOM 0 H TRP A 22 0.515 -6.318 1.355 1.00 10.00 H new ATOM 0 HA TRP A 22 0.853 -4.199 -0.693 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.695 -6.789 -0.504 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.876 -5.632 -1.808 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.722 -6.063 -0.811 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.964 -7.371 -2.648 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.318 -7.811 -3.393 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.268 -8.859 -5.023 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.008 -9.261 -5.372 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.272 -9.687 -6.269 1.00 10.00 H new ATOM 341 N LEU A 23 -1.796 -3.566 -0.459 1.00 10.00 N ATOM 342 CA LEU A 23 -2.963 -2.783 -0.077 1.00 10.00 C ATOM 343 C LEU A 23 -3.563 -2.173 -1.334 1.00 10.00 C ATOM 344 O LEU A 23 -2.924 -2.232 -2.383 1.00 10.00 O ATOM 345 CB LEU A 23 -2.626 -1.710 0.970 1.00 10.00 C ATOM 346 CG LEU A 23 -1.270 -1.014 0.765 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.334 0.069 -0.303 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.841 -0.387 2.085 1.00 10.00 C ATOM 0 H LEU A 23 -1.644 -3.592 -1.467 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.693 -3.438 0.398 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.412 -0.954 0.961 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.637 -2.170 1.958 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.552 -1.763 0.431 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.353 0.531 -0.412 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.633 -0.374 -1.253 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.062 0.826 -0.010 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.120 0.111 1.956 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.588 0.341 2.401 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.748 -1.164 2.844 1.00 10.00 H new ATOM 360 N ILE A 24 -4.771 -1.613 -1.225 1.00 10.00 N ATOM 361 CA ILE A 24 -5.516 -1.043 -2.344 1.00 10.00 C ATOM 362 C ILE A 24 -5.716 0.447 -2.089 1.00 10.00 C ATOM 363 O ILE A 24 -6.369 0.841 -1.117 1.00 10.00 O ATOM 364 CB ILE A 24 -6.859 -1.765 -2.529 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.617 -3.244 -2.860 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.681 -1.133 -3.664 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.797 -4.101 -2.396 1.00 10.00 C ATOM 0 H ILE A 24 -5.266 -1.543 -0.336 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.953 -1.176 -3.268 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.416 -1.673 -1.596 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.475 -3.363 -3.934 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.701 -3.585 -2.377 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.626 -1.666 -3.770 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.879 -0.087 -3.431 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -7.122 -1.197 -4.597 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.606 -5.146 -2.640 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -7.921 -3.997 -1.318 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.706 -3.771 -2.899 1.00 10.00 H new ATOM 379 N LEU A 25 -5.129 1.257 -2.971 1.00 10.00 N ATOM 380 CA LEU A 25 -5.213 2.707 -2.972 1.00 10.00 C ATOM 381 C LEU A 25 -5.842 3.090 -4.306 1.00 10.00 C ATOM 382 O LEU A 25 -5.201 2.991 -5.349 1.00 10.00 O ATOM 383 CB LEU A 25 -3.808 3.295 -2.788 1.00 10.00 C ATOM 384 CG LEU A 25 -3.350 3.630 -1.371 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.908 2.636 -0.386 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.819 3.691 -1.274 1.00 10.00 C ATOM 0 H LEU A 25 -4.558 0.898 -3.736 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.819 3.100 -2.156 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.093 2.590 -3.212 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.747 4.207 -3.383 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.735 4.619 -1.122 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.571 2.891 0.619 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.997 2.662 -0.421 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.560 1.635 -0.642 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.529 3.932 -0.251 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.398 2.725 -1.553 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.442 4.460 -1.949 1.00 10.00 H new ATOM 398 N HIS A 26 -7.121 3.468 -4.280 1.00 10.00 N ATOM 399 CA HIS A 26 -7.871 3.905 -5.454 1.00 10.00 C ATOM 400 C HIS A 26 -7.863 2.830 -6.545 1.00 10.00 C ATOM 401 O HIS A 26 -7.616 3.125 -7.712 1.00 10.00 O ATOM 402 CB HIS A 26 -7.335 5.241 -5.995 1.00 10.00 C ATOM 403 CG HIS A 26 -7.174 6.321 -4.959 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.125 7.240 -4.576 1.00 10.00 N ATOM 405 CD2 HIS A 26 -6.038 6.575 -4.241 1.00 10.00 C ATOM 406 CE1 HIS A 26 -7.567 8.029 -3.640 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.296 7.663 -3.404 1.00 10.00 N ATOM 0 H HIS A 26 -7.674 3.478 -3.423 1.00 10.00 H new ATOM 0 HA HIS A 26 -8.904 4.063 -5.144 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.369 5.064 -6.469 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -8.010 5.600 -6.772 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -9.077 7.310 -4.936 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.107 6.031 -4.309 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.072 8.846 -3.146 1.00 10.00 H new ATOM 415 N TYR A 27 -8.119 1.578 -6.156 1.00 10.00 N ATOM 416 CA TYR A 27 -8.156 0.425 -7.048 1.00 10.00 C ATOM 417 C TYR A 27 -6.775 0.037 -7.579 1.00 10.00 C ATOM 418 O TYR A 27 -6.696 -0.774 -8.501 1.00 10.00 O ATOM 419 CB TYR A 27 -9.163 0.637 -8.191 1.00 10.00 C ATOM 420 CG TYR A 27 -10.501 1.188 -7.741 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.226 0.509 -6.746 1.00 10.00 C ATOM 422 CD2 TYR A 27 -10.968 2.424 -8.224 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.431 1.038 -6.261 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.167 2.964 -7.725 1.00 10.00 C ATOM 425 CZ TYR A 27 -12.900 2.268 -6.749 1.00 10.00 C ATOM 426 OH TYR A 27 -14.049 2.806 -6.253 1.00 10.00 O ATOM 0 H TYR A 27 -8.311 1.336 -5.184 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.498 -0.419 -6.449 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.729 1.319 -8.922 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.326 -0.314 -8.699 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.853 -0.425 -6.353 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.407 2.957 -8.977 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.997 0.501 -5.514 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.525 3.915 -8.092 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.230 3.660 -6.699 1.00 10.00 H new ATOM 436 N LYS A 28 -5.694 0.584 -7.009 1.00 10.00 N ATOM 437 CA LYS A 28 -4.334 0.297 -7.434 1.00 10.00 C ATOM 438 C LYS A 28 -3.589 -0.389 -6.301 1.00 10.00 C ATOM 439 O LYS A 28 -3.576 0.108 -5.172 1.00 10.00 O ATOM 440 CB LYS A 28 -3.644 1.578 -7.908 1.00 10.00 C ATOM 441 CG LYS A 28 -4.550 2.232 -8.955 1.00 10.00 C ATOM 442 CD LYS A 28 -3.812 3.129 -9.953 1.00 10.00 C ATOM 443 CE LYS A 28 -4.207 2.646 -11.358 1.00 10.00 C ATOM 444 NZ LYS A 28 -3.626 3.457 -12.435 1.00 10.00 N ATOM 0 H LYS A 28 -5.748 1.244 -6.233 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.340 -0.384 -8.285 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.476 2.255 -7.070 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.667 1.351 -8.335 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -5.074 1.450 -9.505 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.308 2.824 -8.443 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.088 4.174 -9.811 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.734 3.062 -9.810 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.890 1.610 -11.481 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.293 2.660 -11.448 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.930 3.080 -13.356 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.948 4.441 -12.340 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -2.588 3.424 -12.373 1.00 10.00 H new ATOM 458 N VAL A 29 -3.020 -1.556 -6.612 1.00 10.00 N ATOM 459 CA VAL A 29 -2.242 -2.340 -5.677 1.00 10.00 C ATOM 460 C VAL A 29 -0.787 -1.877 -5.721 1.00 10.00 C ATOM 461 O VAL A 29 -0.211 -1.701 -6.801 1.00 10.00 O ATOM 462 CB VAL A 29 -2.378 -3.843 -5.960 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.967 -4.646 -4.720 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.811 -4.224 -6.333 1.00 10.00 C ATOM 0 H VAL A 29 -3.094 -1.981 -7.536 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.625 -2.183 -4.669 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.725 -4.075 -6.802 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -2.066 -5.712 -4.927 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.931 -4.420 -4.467 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.612 -4.378 -3.883 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.864 -5.296 -6.525 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.481 -3.969 -5.512 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.111 -3.679 -7.228 1.00 10.00 H new ATOM 474 N TYR A 30 -0.208 -1.685 -4.536 1.00 10.00 N ATOM 475 CA TYR A 30 1.142 -1.192 -4.337 1.00 10.00 C ATOM 476 C TYR A 30 1.876 -2.166 -3.427 1.00 10.00 C ATOM 477 O TYR A 30 1.435 -2.373 -2.298 1.00 10.00 O ATOM 478 CB TYR A 30 1.047 0.193 -3.689 1.00 10.00 C ATOM 479 CG TYR A 30 0.475 1.245 -4.615 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.157 1.582 -5.792 1.00 10.00 C ATOM 481 CD2 TYR A 30 -0.792 1.797 -4.369 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.557 2.431 -6.735 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.341 2.732 -5.268 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.684 3.017 -6.470 1.00 10.00 C ATOM 485 OH TYR A 30 -1.247 3.857 -7.383 1.00 10.00 O ATOM 0 H TYR A 30 -0.691 -1.878 -3.658 1.00 10.00 H new ATOM 0 HA TYR A 30 1.685 -1.111 -5.278 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.426 0.128 -2.796 1.00 10.00 H new ATOM 0 HB3 TYR A 30 2.040 0.504 -3.365 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.146 1.188 -5.974 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.346 1.504 -3.490 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.057 2.633 -7.671 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.270 3.229 -5.029 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.109 4.177 -7.045 1.00 10.00 H new ATOM 495 N ASP A 31 2.977 -2.757 -3.903 1.00 10.00 N ATOM 496 CA ASP A 31 3.840 -3.545 -3.035 1.00 10.00 C ATOM 497 C ASP A 31 4.826 -2.600 -2.368 1.00 10.00 C ATOM 498 O ASP A 31 5.713 -2.073 -3.037 1.00 10.00 O ATOM 499 CB ASP A 31 4.607 -4.634 -3.792 1.00 10.00 C ATOM 500 CG ASP A 31 5.478 -5.442 -2.834 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.366 -5.214 -1.607 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.193 -6.340 -3.322 1.00 10.00 O ATOM 0 H ASP A 31 3.284 -2.702 -4.874 1.00 10.00 H new ATOM 0 HA ASP A 31 3.214 -4.054 -2.302 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.905 -5.295 -4.299 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.230 -4.179 -4.562 1.00 10.00 H new ATOM 507 N LEU A 32 4.670 -2.384 -1.062 1.00 10.00 N ATOM 508 CA LEU A 32 5.599 -1.597 -0.277 1.00 10.00 C ATOM 509 C LEU A 32 6.258 -2.493 0.778 1.00 10.00 C ATOM 510 O LEU A 32 6.734 -2.004 1.801 1.00 10.00 O ATOM 511 CB LEU A 32 4.862 -0.404 0.344 1.00 10.00 C ATOM 512 CG LEU A 32 3.994 0.383 -0.667 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.521 0.407 -0.232 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.590 1.777 -0.885 1.00 10.00 C ATOM 0 H LEU A 32 3.888 -2.756 -0.523 1.00 10.00 H new ATOM 0 HA LEU A 32 6.392 -1.196 -0.909 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.227 -0.762 1.154 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.592 0.273 0.787 1.00 10.00 H new ATOM 0 HG LEU A 32 4.005 -0.124 -1.632 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.935 0.967 -0.961 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.143 -0.614 -0.170 1.00 10.00 H new ATOM 0 HD13 LEU A 32 2.438 0.885 0.744 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.976 2.328 -1.597 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.616 2.314 0.063 1.00 10.00 H new ATOM 0 HD23 LEU A 32 5.603 1.682 -1.276 1.00 10.00 H new ATOM 526 N THR A 33 6.304 -3.811 0.545 1.00 10.00 N ATOM 527 CA THR A 33 6.834 -4.766 1.509 1.00 10.00 C ATOM 528 C THR A 33 8.283 -4.456 1.874 1.00 10.00 C ATOM 529 O THR A 33 8.670 -4.509 3.039 1.00 10.00 O ATOM 530 CB THR A 33 6.677 -6.195 0.977 1.00 10.00 C ATOM 531 OG1 THR A 33 6.945 -7.103 2.014 1.00 10.00 O ATOM 532 CG2 THR A 33 7.621 -6.594 -0.146 1.00 10.00 C ATOM 0 H THR A 33 5.973 -4.239 -0.320 1.00 10.00 H new ATOM 0 HA THR A 33 6.256 -4.678 2.429 1.00 10.00 H new ATOM 0 HB THR A 33 5.658 -6.221 0.590 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.603 -6.744 2.859 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.420 -7.623 -0.442 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.469 -5.934 -1.000 1.00 10.00 H new ATOM 0 HG23 THR A 33 8.652 -6.511 0.198 1.00 10.00 H new ATOM 540 N LYS A 34 9.077 -4.101 0.863 1.00 10.00 N ATOM 541 CA LYS A 34 10.453 -3.657 1.028 1.00 10.00 C ATOM 542 C LYS A 34 10.486 -2.133 1.040 1.00 10.00 C ATOM 543 O LYS A 34 11.423 -1.520 0.542 1.00 10.00 O ATOM 544 CB LYS A 34 11.340 -4.291 -0.060 1.00 10.00 C ATOM 545 CG LYS A 34 11.774 -5.704 0.366 1.00 10.00 C ATOM 546 CD LYS A 34 11.370 -6.779 -0.650 1.00 10.00 C ATOM 547 CE LYS A 34 11.405 -8.163 0.018 1.00 10.00 C ATOM 548 NZ LYS A 34 10.661 -9.174 -0.760 1.00 10.00 N ATOM 0 H LYS A 34 8.772 -4.116 -0.110 1.00 10.00 H new ATOM 0 HA LYS A 34 10.862 -3.990 1.982 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.794 -4.339 -1.002 1.00 10.00 H new ATOM 0 HB3 LYS A 34 12.218 -3.669 -0.232 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.856 -5.723 0.498 1.00 10.00 H new ATOM 0 HG3 LYS A 34 11.331 -5.940 1.334 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.370 -6.574 -1.032 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.048 -6.759 -1.504 1.00 10.00 H new ATOM 0 HE2 LYS A 34 12.440 -8.484 0.132 1.00 10.00 H new ATOM 0 HE3 LYS A 34 10.981 -8.093 1.020 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 10.711 -10.092 -0.274 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 9.667 -8.882 -0.848 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 11.081 -9.261 -1.707 1.00 10.00 H new ATOM 562 N PHE A 35 9.460 -1.529 1.641 1.00 10.00 N ATOM 563 CA PHE A 35 9.417 -0.107 1.889 1.00 10.00 C ATOM 564 C PHE A 35 8.818 0.192 3.259 1.00 10.00 C ATOM 565 O PHE A 35 8.487 1.336 3.525 1.00 10.00 O ATOM 566 CB PHE A 35 8.609 0.575 0.786 1.00 10.00 C ATOM 567 CG PHE A 35 9.110 1.957 0.410 1.00 10.00 C ATOM 568 CD1 PHE A 35 10.445 2.131 -0.006 1.00 10.00 C ATOM 569 CD2 PHE A 35 8.256 3.074 0.491 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.904 3.398 -0.397 1.00 10.00 C ATOM 571 CE2 PHE A 35 8.722 4.347 0.114 1.00 10.00 C ATOM 572 CZ PHE A 35 10.037 4.503 -0.358 1.00 10.00 C ATOM 0 H PHE A 35 8.633 -2.028 1.968 1.00 10.00 H new ATOM 0 HA PHE A 35 10.435 0.284 1.883 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.622 -0.057 -0.102 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.570 0.653 1.107 1.00 10.00 H new ATOM 0 HD1 PHE A 35 11.117 1.286 -0.024 1.00 10.00 H new ATOM 0 HD2 PHE A 35 7.242 2.953 0.843 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.924 3.524 -0.728 1.00 10.00 H new ATOM 0 HE2 PHE A 35 8.069 5.204 0.187 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.381 5.471 -0.690 1.00 10.00 H new ATOM 582 N LEU A 36 8.649 -0.799 4.138 1.00 10.00 N ATOM 583 CA LEU A 36 8.038 -0.555 5.436 1.00 10.00 C ATOM 584 C LEU A 36 8.909 0.398 6.254 1.00 10.00 C ATOM 585 O LEU A 36 8.488 1.509 6.566 1.00 10.00 O ATOM 586 CB LEU A 36 7.788 -1.882 6.168 1.00 10.00 C ATOM 587 CG LEU A 36 6.788 -2.777 5.422 1.00 10.00 C ATOM 588 CD1 LEU A 36 6.841 -4.200 5.986 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.362 -2.222 5.518 1.00 10.00 C ATOM 0 H LEU A 36 8.925 -1.767 3.972 1.00 10.00 H new ATOM 0 HA LEU A 36 7.069 -0.077 5.296 1.00 10.00 H new ATOM 0 HB2 LEU A 36 8.732 -2.414 6.285 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.412 -1.677 7.170 1.00 10.00 H new ATOM 0 HG LEU A 36 7.069 -2.795 4.369 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.129 -4.830 5.452 1.00 10.00 H new ATOM 0 HD12 LEU A 36 7.846 -4.603 5.862 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.586 -4.181 7.045 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.679 -2.879 4.980 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.063 -2.167 6.565 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.329 -1.225 5.078 1.00 10.00 H new ATOM 601 N GLU A 37 10.126 -0.037 6.587 1.00 10.00 N ATOM 602 CA GLU A 37 11.075 0.758 7.359 1.00 10.00 C ATOM 603 C GLU A 37 11.421 2.055 6.612 1.00 10.00 C ATOM 604 O GLU A 37 11.603 3.104 7.225 1.00 10.00 O ATOM 605 CB GLU A 37 12.325 -0.088 7.674 1.00 10.00 C ATOM 606 CG GLU A 37 12.598 -0.172 9.181 1.00 10.00 C ATOM 607 CD GLU A 37 13.857 -0.982 9.468 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.941 -0.489 9.091 1.00 10.00 O ATOM 609 OE2 GLU A 37 13.715 -2.087 10.034 1.00 10.00 O ATOM 0 H GLU A 37 10.480 -0.957 6.325 1.00 10.00 H new ATOM 0 HA GLU A 37 10.624 1.050 8.308 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.193 -1.093 7.273 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.191 0.344 7.172 1.00 10.00 H new ATOM 0 HG2 GLU A 37 12.707 0.832 9.590 1.00 10.00 H new ATOM 0 HG3 GLU A 37 11.745 -0.630 9.683 1.00 10.00 H new ATOM 616 N GLU A 38 11.505 1.977 5.280 1.00 10.00 N ATOM 617 CA GLU A 38 11.834 3.104 4.424 1.00 10.00 C ATOM 618 C GLU A 38 10.727 4.161 4.443 1.00 10.00 C ATOM 619 O GLU A 38 11.006 5.358 4.480 1.00 10.00 O ATOM 620 CB GLU A 38 12.050 2.598 2.997 1.00 10.00 C ATOM 621 CG GLU A 38 13.219 1.606 2.886 1.00 10.00 C ATOM 622 CD GLU A 38 14.174 2.008 1.767 1.00 10.00 C ATOM 623 OE1 GLU A 38 13.724 1.975 0.601 1.00 10.00 O ATOM 624 OE2 GLU A 38 15.324 2.363 2.100 1.00 10.00 O ATOM 0 H GLU A 38 11.342 1.112 4.765 1.00 10.00 H new ATOM 0 HA GLU A 38 12.745 3.573 4.797 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.137 2.117 2.645 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.237 3.447 2.340 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.758 1.567 3.832 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.833 0.604 2.697 1.00 10.00 H new ATOM 631 N HIS A 39 9.469 3.722 4.366 1.00 10.00 N ATOM 632 CA HIS A 39 8.320 4.608 4.286 1.00 10.00 C ATOM 633 C HIS A 39 8.298 5.510 5.523 1.00 10.00 C ATOM 634 O HIS A 39 8.200 5.000 6.641 1.00 10.00 O ATOM 635 CB HIS A 39 7.027 3.794 4.172 1.00 10.00 C ATOM 636 CG HIS A 39 5.770 4.617 4.271 1.00 10.00 C ATOM 637 ND1 HIS A 39 4.944 4.650 5.365 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.234 5.437 3.313 1.00 10.00 C ATOM 639 CE1 HIS A 39 3.925 5.468 5.066 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.052 5.986 3.827 1.00 10.00 N ATOM 0 H HIS A 39 9.224 2.732 4.358 1.00 10.00 H new ATOM 0 HA HIS A 39 8.396 5.231 3.395 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.027 3.264 3.219 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.016 3.038 4.957 1.00 10.00 H new ATOM 0 HD1 HIS A 39 5.080 4.147 6.242 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.649 5.627 2.334 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.105 5.685 5.734 1.00 10.00 H new ATOM 648 N PRO A 40 8.366 6.841 5.356 1.00 10.00 N ATOM 649 CA PRO A 40 8.428 7.770 6.470 1.00 10.00 C ATOM 650 C PRO A 40 7.045 7.899 7.117 1.00 10.00 C ATOM 651 O PRO A 40 6.364 8.912 6.977 1.00 10.00 O ATOM 652 CB PRO A 40 8.965 9.076 5.876 1.00 10.00 C ATOM 653 CG PRO A 40 8.500 9.030 4.422 1.00 10.00 C ATOM 654 CD PRO A 40 8.467 7.541 4.085 1.00 10.00 C ATOM 0 HA PRO A 40 9.083 7.443 7.277 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.566 9.947 6.397 1.00 10.00 H new ATOM 0 HB3 PRO A 40 10.051 9.132 5.948 1.00 10.00 H new ATOM 0 HG2 PRO A 40 7.517 9.487 4.304 1.00 10.00 H new ATOM 0 HG3 PRO A 40 9.184 9.571 3.768 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.619 7.306 3.442 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.367 7.243 3.547 1.00 10.00 H new ATOM 662 N GLY A 41 6.637 6.851 7.834 1.00 10.00 N ATOM 663 CA GLY A 41 5.381 6.798 8.560 1.00 10.00 C ATOM 664 C GLY A 41 5.381 5.682 9.603 1.00 10.00 C ATOM 665 O GLY A 41 4.311 5.176 9.919 1.00 10.00 O ATOM 0 H GLY A 41 7.189 5.998 7.924 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.203 7.755 9.050 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.561 6.642 7.859 1.00 10.00 H new ATOM 669 N GLY A 42 6.560 5.312 10.127 1.00 10.00 N ATOM 670 CA GLY A 42 6.733 4.315 11.181 1.00 10.00 C ATOM 671 C GLY A 42 6.076 2.974 10.847 1.00 10.00 C ATOM 672 O GLY A 42 4.890 2.785 11.115 1.00 10.00 O ATOM 0 H GLY A 42 7.444 5.715 9.815 1.00 10.00 H new ATOM 0 HA2 GLY A 42 7.798 4.159 11.355 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.311 4.699 12.110 1.00 10.00 H new ATOM 676 N GLU A 43 6.849 2.040 10.278 1.00 10.00 N ATOM 677 CA GLU A 43 6.388 0.701 9.932 1.00 10.00 C ATOM 678 C GLU A 43 5.511 0.085 11.027 1.00 10.00 C ATOM 679 O GLU A 43 5.977 -0.352 12.071 1.00 10.00 O ATOM 680 CB GLU A 43 7.562 -0.208 9.577 1.00 10.00 C ATOM 681 CG GLU A 43 8.629 -0.370 10.670 1.00 10.00 C ATOM 682 CD GLU A 43 8.794 -1.838 11.055 1.00 10.00 C ATOM 683 OE1 GLU A 43 8.952 -2.649 10.115 1.00 10.00 O ATOM 684 OE2 GLU A 43 8.726 -2.130 12.268 1.00 10.00 O ATOM 0 H GLU A 43 7.828 2.202 10.044 1.00 10.00 H new ATOM 0 HA GLU A 43 5.758 0.798 9.048 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.172 -1.194 9.326 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.043 0.182 8.680 1.00 10.00 H new ATOM 0 HG2 GLU A 43 9.581 0.027 10.317 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.347 0.211 11.548 1.00 10.00 H new ATOM 691 N ALA A 44 4.208 0.089 10.771 1.00 10.00 N ATOM 692 CA ALA A 44 3.167 -0.320 11.689 1.00 10.00 C ATOM 693 C ALA A 44 1.875 0.089 11.020 1.00 10.00 C ATOM 694 O ALA A 44 1.135 -0.773 10.565 1.00 10.00 O ATOM 695 CB ALA A 44 3.299 0.351 13.062 1.00 10.00 C ATOM 0 H ALA A 44 3.837 0.394 9.871 1.00 10.00 H new ATOM 0 HA ALA A 44 3.220 -1.391 11.886 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.494 0.010 13.713 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.260 0.088 13.505 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.238 1.433 12.946 1.00 10.00 H new ATOM 701 N VAL A 45 1.631 1.394 10.869 1.00 10.00 N ATOM 702 CA VAL A 45 0.411 1.840 10.217 1.00 10.00 C ATOM 703 C VAL A 45 0.365 1.344 8.770 1.00 10.00 C ATOM 704 O VAL A 45 -0.650 0.757 8.388 1.00 10.00 O ATOM 705 CB VAL A 45 0.169 3.348 10.388 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.109 4.194 9.527 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.293 3.688 10.067 1.00 10.00 C ATOM 0 H VAL A 45 2.251 2.140 11.184 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.440 1.382 10.721 1.00 10.00 H new ATOM 0 HB VAL A 45 0.382 3.592 11.429 1.00 10.00 H new ATOM 0 HG11 VAL A 45 0.895 5.251 9.686 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.142 3.987 9.805 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.960 3.948 8.476 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.453 4.759 10.191 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.515 3.405 9.038 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.951 3.142 10.743 1.00 10.00 H new ATOM 717 N LEU A 46 1.447 1.473 7.972 1.00 10.00 N ATOM 718 CA LEU A 46 1.373 0.908 6.636 1.00 10.00 C ATOM 719 C LEU A 46 1.168 -0.623 6.658 1.00 10.00 C ATOM 720 O LEU A 46 0.624 -1.176 5.707 1.00 10.00 O ATOM 721 CB LEU A 46 2.619 1.407 5.890 1.00 10.00 C ATOM 722 CG LEU A 46 2.892 0.725 4.554 1.00 10.00 C ATOM 723 CD1 LEU A 46 1.766 0.975 3.550 1.00 10.00 C ATOM 724 CD2 LEU A 46 4.206 1.249 3.970 1.00 10.00 C ATOM 0 H LEU A 46 2.322 1.935 8.219 1.00 10.00 H new ATOM 0 HA LEU A 46 0.489 1.244 6.093 1.00 10.00 H new ATOM 0 HB2 LEU A 46 2.515 2.478 5.718 1.00 10.00 H new ATOM 0 HB3 LEU A 46 3.488 1.270 6.534 1.00 10.00 H new ATOM 0 HG LEU A 46 2.956 -0.348 4.736 1.00 10.00 H new ATOM 0 HD11 LEU A 46 1.998 0.473 2.611 1.00 10.00 H new ATOM 0 HD12 LEU A 46 0.830 0.585 3.949 1.00 10.00 H new ATOM 0 HD13 LEU A 46 1.667 2.046 3.374 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.400 0.761 3.015 1.00 10.00 H new ATOM 0 HD22 LEU A 46 4.133 2.326 3.819 1.00 10.00 H new ATOM 0 HD23 LEU A 46 5.022 1.034 4.660 1.00 10.00 H new ATOM 736 N ARG A 47 1.546 -1.316 7.740 1.00 10.00 N ATOM 737 CA ARG A 47 1.407 -2.766 7.861 1.00 10.00 C ATOM 738 C ARG A 47 0.021 -3.175 8.379 1.00 10.00 C ATOM 739 O ARG A 47 -0.504 -4.217 7.996 1.00 10.00 O ATOM 740 CB ARG A 47 2.555 -3.312 8.723 1.00 10.00 C ATOM 741 CG ARG A 47 2.550 -4.846 8.835 1.00 10.00 C ATOM 742 CD ARG A 47 1.717 -5.344 10.029 1.00 10.00 C ATOM 743 NE ARG A 47 0.728 -6.372 9.650 1.00 10.00 N ATOM 744 CZ ARG A 47 -0.233 -6.830 10.472 1.00 10.00 C ATOM 745 NH1 ARG A 47 -0.310 -6.364 11.723 1.00 10.00 N ATOM 746 NH2 ARG A 47 -1.110 -7.748 10.061 1.00 10.00 N ATOM 0 H ARG A 47 1.961 -0.878 8.562 1.00 10.00 H new ATOM 0 HA ARG A 47 1.480 -3.215 6.871 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.505 -2.988 8.299 1.00 10.00 H new ATOM 0 HB3 ARG A 47 2.488 -2.881 9.722 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.152 -5.274 7.915 1.00 10.00 H new ATOM 0 HG3 ARG A 47 3.575 -5.204 8.936 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.386 -5.752 10.787 1.00 10.00 H new ATOM 0 HD3 ARG A 47 1.199 -4.499 10.482 1.00 10.00 H new ATOM 0 HE ARG A 47 0.776 -6.759 8.707 1.00 10.00 H new ATOM 0 HH11 ARG A 47 0.358 -5.665 12.049 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -1.036 -6.707 12.351 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -1.058 -8.113 9.110 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -1.832 -8.084 10.698 1.00 10.00 H new ATOM 760 N ALA A 48 -0.581 -2.383 9.266 1.00 10.00 N ATOM 761 CA ALA A 48 -1.848 -2.705 9.909 1.00 10.00 C ATOM 762 C ALA A 48 -2.983 -2.649 8.892 1.00 10.00 C ATOM 763 O ALA A 48 -3.868 -3.499 8.900 1.00 10.00 O ATOM 764 CB ALA A 48 -2.105 -1.732 11.063 1.00 10.00 C ATOM 0 H ALA A 48 -0.193 -1.487 9.560 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.800 -3.717 10.311 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -3.054 -1.977 11.541 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -1.300 -1.812 11.793 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -2.145 -0.713 10.678 1.00 10.00 H new ATOM 770 N GLN A 49 -2.939 -1.638 8.021 1.00 10.00 N ATOM 771 CA GLN A 49 -3.906 -1.459 6.948 1.00 10.00 C ATOM 772 C GLN A 49 -3.577 -2.331 5.733 1.00 10.00 C ATOM 773 O GLN A 49 -4.368 -2.419 4.795 1.00 10.00 O ATOM 774 CB GLN A 49 -3.920 0.026 6.565 1.00 10.00 C ATOM 775 CG GLN A 49 -5.020 0.819 7.289 1.00 10.00 C ATOM 776 CD GLN A 49 -6.441 0.507 6.806 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.790 -0.633 6.530 1.00 10.00 O ATOM 778 NE2 GLN A 49 -7.298 1.521 6.724 1.00 10.00 N ATOM 0 H GLN A 49 -2.220 -0.915 8.046 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.891 -1.771 7.294 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.950 0.465 6.797 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -4.062 0.117 5.488 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -4.958 0.612 8.357 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.830 1.884 7.159 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -6.994 2.466 6.957 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -8.260 1.353 6.428 1.00 10.00 H new ATOM 787 N ALA A 50 -2.393 -2.945 5.725 1.00 10.00 N ATOM 788 CA ALA A 50 -1.985 -3.822 4.644 1.00 10.00 C ATOM 789 C ALA A 50 -2.979 -4.965 4.441 1.00 10.00 C ATOM 790 O ALA A 50 -3.650 -5.401 5.375 1.00 10.00 O ATOM 791 CB ALA A 50 -0.610 -4.411 4.929 1.00 10.00 C ATOM 0 H ALA A 50 -1.699 -2.845 6.466 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.952 -3.220 3.736 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.318 -5.067 4.109 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.118 -3.605 5.026 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.644 -4.983 5.856 1.00 10.00 H new ATOM 797 N GLY A 51 -3.036 -5.474 3.214 1.00 10.00 N ATOM 798 CA GLY A 51 -3.948 -6.519 2.813 1.00 10.00 C ATOM 799 C GLY A 51 -5.382 -6.038 2.975 1.00 10.00 C ATOM 800 O GLY A 51 -6.182 -6.685 3.646 1.00 10.00 O ATOM 0 H GLY A 51 -2.430 -5.157 2.458 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -3.763 -6.798 1.776 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -3.783 -7.411 3.418 1.00 10.00 H new ATOM 804 N GLY A 52 -5.711 -4.903 2.358 1.00 10.00 N ATOM 805 CA GLY A 52 -7.034 -4.320 2.442 1.00 10.00 C ATOM 806 C GLY A 52 -7.049 -2.960 1.754 1.00 10.00 C ATOM 807 O GLY A 52 -6.079 -2.579 1.090 1.00 10.00 O ATOM 0 H GLY A 52 -5.059 -4.366 1.786 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -7.762 -4.982 1.973 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.327 -4.212 3.486 1.00 10.00 H new ATOM 811 N ASP A 53 -8.155 -2.233 1.922 1.00 10.00 N ATOM 812 CA ASP A 53 -8.276 -0.855 1.481 1.00 10.00 C ATOM 813 C ASP A 53 -7.510 0.026 2.461 1.00 10.00 C ATOM 814 O ASP A 53 -7.725 -0.068 3.668 1.00 10.00 O ATOM 815 CB ASP A 53 -9.754 -0.445 1.429 1.00 10.00 C ATOM 816 CG ASP A 53 -9.929 0.988 0.929 1.00 10.00 C ATOM 817 OD1 ASP A 53 -9.402 1.913 1.587 1.00 10.00 O ATOM 818 OD2 ASP A 53 -10.560 1.150 -0.134 1.00 10.00 O ATOM 0 H ASP A 53 -8.996 -2.594 2.373 1.00 10.00 H new ATOM 0 HA ASP A 53 -7.862 -0.741 0.479 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.297 -1.127 0.775 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -10.192 -0.539 2.423 1.00 10.00 H new ATOM 823 N ALA A 54 -6.636 0.891 1.946 1.00 10.00 N ATOM 824 CA ALA A 54 -6.114 1.997 2.735 1.00 10.00 C ATOM 825 C ALA A 54 -6.226 3.278 1.922 1.00 10.00 C ATOM 826 O ALA A 54 -5.410 4.180 2.073 1.00 10.00 O ATOM 827 CB ALA A 54 -4.683 1.697 3.203 1.00 10.00 C ATOM 0 H ALA A 54 -6.279 0.845 0.992 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.702 2.130 3.643 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.309 2.535 3.791 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.682 0.795 3.815 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.040 1.548 2.335 1.00 10.00 H new ATOM 833 N THR A 55 -7.232 3.371 1.054 1.00 10.00 N ATOM 834 CA THR A 55 -7.393 4.502 0.164 1.00 10.00 C ATOM 835 C THR A 55 -7.654 5.746 1.015 1.00 10.00 C ATOM 836 O THR A 55 -6.927 6.732 0.907 1.00 10.00 O ATOM 837 CB THR A 55 -8.484 4.197 -0.876 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.145 3.042 -1.625 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.551 5.333 -1.890 1.00 10.00 C ATOM 0 H THR A 55 -7.956 2.659 0.954 1.00 10.00 H new ATOM 0 HA THR A 55 -6.491 4.697 -0.416 1.00 10.00 H new ATOM 0 HB THR A 55 -9.423 4.063 -0.339 1.00 10.00 H new ATOM 0 HG1 THR A 55 -7.581 2.454 -1.081 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.324 5.117 -2.627 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.789 6.265 -1.377 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.588 5.430 -2.392 1.00 10.00 H new ATOM 847 N ALA A 56 -8.628 5.654 1.928 1.00 10.00 N ATOM 848 CA ALA A 56 -8.929 6.710 2.889 1.00 10.00 C ATOM 849 C ALA A 56 -7.706 7.054 3.747 1.00 10.00 C ATOM 850 O ALA A 56 -7.512 8.194 4.146 1.00 10.00 O ATOM 851 CB ALA A 56 -10.109 6.291 3.770 1.00 10.00 C ATOM 0 H ALA A 56 -9.231 4.836 2.018 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.200 7.609 2.335 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.329 7.084 4.485 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -10.984 6.113 3.145 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -9.855 5.377 4.308 1.00 10.00 H new ATOM 857 N ASN A 57 -6.869 6.064 4.058 1.00 10.00 N ATOM 858 CA ASN A 57 -5.725 6.263 4.939 1.00 10.00 C ATOM 859 C ASN A 57 -4.607 7.002 4.202 1.00 10.00 C ATOM 860 O ASN A 57 -3.986 7.925 4.724 1.00 10.00 O ATOM 861 CB ASN A 57 -5.236 4.897 5.449 1.00 10.00 C ATOM 862 CG ASN A 57 -5.149 4.851 6.967 1.00 10.00 C ATOM 863 OD1 ASN A 57 -4.069 4.854 7.545 1.00 10.00 O ATOM 864 ND2 ASN A 57 -6.300 4.769 7.629 1.00 10.00 N ATOM 0 H ASN A 57 -6.966 5.111 3.708 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.023 6.874 5.791 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -5.913 4.117 5.101 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.256 4.681 5.023 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -6.299 4.706 8.647 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -7.183 4.769 7.119 1.00 10.00 H new ATOM 871 N PHE A 58 -4.349 6.569 2.971 1.00 10.00 N ATOM 872 CA PHE A 58 -3.408 7.197 2.059 1.00 10.00 C ATOM 873 C PHE A 58 -3.803 8.657 1.818 1.00 10.00 C ATOM 874 O PHE A 58 -2.989 9.568 2.003 1.00 10.00 O ATOM 875 CB PHE A 58 -3.399 6.385 0.762 1.00 10.00 C ATOM 876 CG PHE A 58 -2.631 6.987 -0.399 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.232 7.114 -0.341 1.00 10.00 C ATOM 878 CD2 PHE A 58 -3.314 7.333 -1.580 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.528 7.655 -1.432 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.605 7.820 -2.690 1.00 10.00 C ATOM 881 CZ PHE A 58 -1.213 8.001 -2.610 1.00 10.00 C ATOM 0 H PHE A 58 -4.804 5.748 2.573 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.403 7.208 2.481 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -2.981 5.401 0.976 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.431 6.231 0.447 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.697 6.796 0.542 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.387 7.224 -1.633 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.539 7.805 -1.365 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -3.129 8.055 -3.605 1.00 10.00 H new ATOM 0 HZ PHE A 58 -0.671 8.405 -3.452 1.00 10.00 H new ATOM 891 N GLU A 59 -5.054 8.881 1.404 1.00 10.00 N ATOM 892 CA GLU A 59 -5.531 10.220 1.100 1.00 10.00 C ATOM 893 C GLU A 59 -5.623 11.087 2.360 1.00 10.00 C ATOM 894 O GLU A 59 -5.330 12.277 2.289 1.00 10.00 O ATOM 895 CB GLU A 59 -6.820 10.157 0.273 1.00 10.00 C ATOM 896 CG GLU A 59 -8.032 9.653 1.056 1.00 10.00 C ATOM 897 CD GLU A 59 -8.864 10.781 1.651 1.00 10.00 C ATOM 898 OE1 GLU A 59 -9.428 11.544 0.840 1.00 10.00 O ATOM 899 OE2 GLU A 59 -8.925 10.853 2.896 1.00 10.00 O ATOM 0 H GLU A 59 -5.750 8.147 1.274 1.00 10.00 H new ATOM 0 HA GLU A 59 -4.799 10.727 0.471 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.039 11.151 -0.117 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -6.658 9.506 -0.586 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -8.660 9.054 0.397 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.693 8.997 1.857 1.00 10.00 H new ATOM 906 N ALA A 60 -5.959 10.493 3.514 1.00 10.00 N ATOM 907 CA ALA A 60 -6.006 11.196 4.795 1.00 10.00 C ATOM 908 C ALA A 60 -4.734 12.010 5.042 1.00 10.00 C ATOM 909 O ALA A 60 -4.810 13.159 5.469 1.00 10.00 O ATOM 910 CB ALA A 60 -6.247 10.217 5.951 1.00 10.00 C ATOM 0 H ALA A 60 -6.206 9.506 3.581 1.00 10.00 H new ATOM 0 HA ALA A 60 -6.843 11.892 4.749 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -6.278 10.766 6.892 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.196 9.702 5.800 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -5.439 9.486 5.983 1.00 10.00 H new ATOM 916 N VAL A 61 -3.563 11.418 4.787 1.00 10.00 N ATOM 917 CA VAL A 61 -2.304 12.150 4.870 1.00 10.00 C ATOM 918 C VAL A 61 -2.267 13.221 3.778 1.00 10.00 C ATOM 919 O VAL A 61 -1.979 14.385 4.048 1.00 10.00 O ATOM 920 CB VAL A 61 -1.121 11.181 4.737 1.00 10.00 C ATOM 921 CG1 VAL A 61 0.230 11.903 4.844 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.192 10.110 5.829 1.00 10.00 C ATOM 0 H VAL A 61 -3.465 10.438 4.523 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.227 12.640 5.840 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.192 10.725 3.750 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.038 11.179 4.744 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.309 12.646 4.051 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.303 12.397 5.813 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.348 9.428 5.725 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.155 10.586 6.809 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.123 9.552 5.732 1.00 10.00 H new ATOM 932 N GLY A 62 -2.522 12.808 2.535 1.00 10.00 N ATOM 933 CA GLY A 62 -2.532 13.680 1.372 1.00 10.00 C ATOM 934 C GLY A 62 -1.563 13.134 0.337 1.00 10.00 C ATOM 935 O GLY A 62 -1.988 12.748 -0.750 1.00 10.00 O ATOM 0 H GLY A 62 -2.731 11.835 2.310 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.537 13.738 0.953 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.247 14.692 1.658 1.00 10.00 H new ATOM 939 N HIS A 63 -0.277 13.082 0.713 1.00 10.00 N ATOM 940 CA HIS A 63 0.835 12.607 -0.103 1.00 10.00 C ATOM 941 C HIS A 63 1.089 13.554 -1.298 1.00 10.00 C ATOM 942 O HIS A 63 0.186 13.857 -2.076 1.00 10.00 O ATOM 943 CB HIS A 63 0.628 11.127 -0.485 1.00 10.00 C ATOM 944 CG HIS A 63 0.747 10.156 0.676 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.273 9.659 1.457 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.888 9.501 1.054 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.256 8.738 2.289 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.574 8.587 2.072 1.00 10.00 N ATOM 0 H HIS A 63 0.024 13.386 1.639 1.00 10.00 H new ATOM 0 HA HIS A 63 1.757 12.634 0.478 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.358 11.016 -0.936 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.359 10.855 -1.246 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.253 9.938 1.414 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.871 9.662 0.636 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.306 8.193 3.033 1.00 10.00 H new ATOM 956 N SER A 64 2.315 14.082 -1.425 1.00 10.00 N ATOM 957 CA SER A 64 2.646 15.090 -2.430 1.00 10.00 C ATOM 958 C SER A 64 2.657 14.505 -3.851 1.00 10.00 C ATOM 959 O SER A 64 2.384 13.323 -4.060 1.00 10.00 O ATOM 960 CB SER A 64 4.003 15.719 -2.081 1.00 10.00 C ATOM 961 OG SER A 64 5.025 14.758 -2.270 1.00 10.00 O ATOM 0 H SER A 64 3.102 13.819 -0.831 1.00 10.00 H new ATOM 0 HA SER A 64 1.873 15.859 -2.419 1.00 10.00 H new ATOM 0 HB2 SER A 64 4.186 16.590 -2.710 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.001 16.067 -1.048 1.00 10.00 H new ATOM 0 HG SER A 64 5.893 15.156 -2.050 1.00 10.00 H new ATOM 967 N THR A 65 3.014 15.328 -4.842 1.00 10.00 N ATOM 968 CA THR A 65 3.250 14.910 -6.215 1.00 10.00 C ATOM 969 C THR A 65 4.250 13.758 -6.254 1.00 10.00 C ATOM 970 O THR A 65 3.955 12.696 -6.798 1.00 10.00 O ATOM 971 CB THR A 65 3.793 16.120 -6.983 1.00 10.00 C ATOM 972 OG1 THR A 65 4.724 16.794 -6.153 1.00 10.00 O ATOM 973 CG2 THR A 65 2.658 17.089 -7.323 1.00 10.00 C ATOM 0 H THR A 65 3.149 16.329 -4.701 1.00 10.00 H new ATOM 0 HA THR A 65 2.324 14.558 -6.671 1.00 10.00 H new ATOM 0 HB THR A 65 4.262 15.779 -7.906 1.00 10.00 H new ATOM 0 HG1 THR A 65 5.084 17.571 -6.629 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.060 17.943 -7.868 1.00 10.00 H new ATOM 0 HG22 THR A 65 1.918 16.580 -7.940 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.187 17.435 -6.403 1.00 10.00 H new ATOM 981 N ASP A 66 5.421 13.978 -5.654 1.00 10.00 N ATOM 982 CA ASP A 66 6.491 12.995 -5.586 1.00 10.00 C ATOM 983 C ASP A 66 5.939 11.652 -5.124 1.00 10.00 C ATOM 984 O ASP A 66 6.119 10.638 -5.783 1.00 10.00 O ATOM 985 CB ASP A 66 7.586 13.483 -4.632 1.00 10.00 C ATOM 986 CG ASP A 66 8.931 12.900 -5.035 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.518 13.459 -5.985 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.337 11.910 -4.391 1.00 10.00 O ATOM 0 H ASP A 66 5.651 14.860 -5.196 1.00 10.00 H new ATOM 0 HA ASP A 66 6.924 12.868 -6.578 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.634 14.572 -4.648 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.346 13.190 -3.610 1.00 10.00 H new ATOM 993 N ALA A 67 5.189 11.666 -4.023 1.00 10.00 N ATOM 994 CA ALA A 67 4.553 10.479 -3.467 1.00 10.00 C ATOM 995 C ALA A 67 3.517 9.878 -4.428 1.00 10.00 C ATOM 996 O ALA A 67 3.479 8.660 -4.618 1.00 10.00 O ATOM 997 CB ALA A 67 3.920 10.826 -2.123 1.00 10.00 C ATOM 0 H ALA A 67 5.005 12.514 -3.487 1.00 10.00 H new ATOM 0 HA ALA A 67 5.318 9.717 -3.319 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.444 9.939 -1.705 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.691 11.180 -1.438 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.173 11.607 -2.264 1.00 10.00 H new ATOM 1003 N ARG A 68 2.677 10.722 -5.037 1.00 10.00 N ATOM 1004 CA ARG A 68 1.705 10.310 -6.047 1.00 10.00 C ATOM 1005 C ARG A 68 2.411 9.562 -7.186 1.00 10.00 C ATOM 1006 O ARG A 68 1.893 8.568 -7.690 1.00 10.00 O ATOM 1007 CB ARG A 68 0.939 11.532 -6.603 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.527 11.670 -6.149 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.734 12.805 -5.133 1.00 10.00 C ATOM 1010 NE ARG A 68 -2.160 13.141 -4.956 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.915 13.809 -5.846 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.370 14.239 -6.991 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -4.211 14.041 -5.603 1.00 10.00 N ATOM 0 H ARG A 68 2.655 11.722 -4.838 1.00 10.00 H new ATOM 0 HA ARG A 68 0.984 9.640 -5.577 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.476 12.435 -6.313 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.959 11.485 -7.692 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -1.157 11.850 -7.020 1.00 10.00 H new ATOM 0 HG3 ARG A 68 -0.855 10.729 -5.707 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.309 12.513 -4.173 1.00 10.00 H new ATOM 0 HD3 ARG A 68 -0.192 13.691 -5.465 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.609 12.843 -4.090 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.385 14.060 -7.186 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -2.940 14.746 -7.668 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.635 13.710 -4.736 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.775 14.549 -6.285 1.00 10.00 H new ATOM 1027 N GLU A 69 3.586 10.033 -7.595 1.00 10.00 N ATOM 1028 CA GLU A 69 4.344 9.441 -8.693 1.00 10.00 C ATOM 1029 C GLU A 69 5.072 8.185 -8.210 1.00 10.00 C ATOM 1030 O GLU A 69 5.110 7.150 -8.870 1.00 10.00 O ATOM 1031 CB GLU A 69 5.297 10.505 -9.247 1.00 10.00 C ATOM 1032 CG GLU A 69 4.667 11.239 -10.440 1.00 10.00 C ATOM 1033 CD GLU A 69 4.995 10.561 -11.767 1.00 10.00 C ATOM 1034 OE1 GLU A 69 4.633 9.372 -11.904 1.00 10.00 O ATOM 1035 OE2 GLU A 69 5.592 11.249 -12.622 1.00 10.00 O ATOM 0 H GLU A 69 4.042 10.841 -7.171 1.00 10.00 H new ATOM 0 HA GLU A 69 3.683 9.122 -9.499 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.543 11.221 -8.463 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.231 10.036 -9.556 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.585 11.279 -10.311 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.024 12.269 -10.461 1.00 10.00 H new ATOM 1042 N LEU A 70 5.624 8.255 -7.007 1.00 10.00 N ATOM 1043 CA LEU A 70 6.327 7.155 -6.392 1.00 10.00 C ATOM 1044 C LEU A 70 5.382 5.954 -6.310 1.00 10.00 C ATOM 1045 O LEU A 70 5.734 4.862 -6.745 1.00 10.00 O ATOM 1046 CB LEU A 70 6.843 7.618 -5.030 1.00 10.00 C ATOM 1047 CG LEU A 70 7.779 6.665 -4.268 1.00 10.00 C ATOM 1048 CD1 LEU A 70 7.996 5.298 -4.897 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.112 7.333 -3.948 1.00 10.00 C ATOM 0 H LEU A 70 5.592 9.094 -6.428 1.00 10.00 H new ATOM 0 HA LEU A 70 7.191 6.839 -6.976 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.367 8.563 -5.172 1.00 10.00 H new ATOM 0 HB3 LEU A 70 5.981 7.823 -4.395 1.00 10.00 H new ATOM 0 HG LEU A 70 7.240 6.456 -3.344 1.00 10.00 H new ATOM 0 HD11 LEU A 70 8.672 4.714 -4.273 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.041 4.780 -4.980 1.00 10.00 H new ATOM 0 HD13 LEU A 70 8.431 5.419 -5.889 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.750 6.632 -3.409 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.602 7.631 -4.875 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.938 8.214 -3.330 1.00 10.00 H new ATOM 1061 N SER A 71 4.165 6.153 -5.793 1.00 10.00 N ATOM 1062 CA SER A 71 3.145 5.110 -5.780 1.00 10.00 C ATOM 1063 C SER A 71 3.120 4.378 -7.126 1.00 10.00 C ATOM 1064 O SER A 71 3.334 3.172 -7.159 1.00 10.00 O ATOM 1065 CB SER A 71 1.771 5.655 -5.371 1.00 10.00 C ATOM 1066 OG SER A 71 1.120 6.362 -6.402 1.00 10.00 O ATOM 0 H SER A 71 3.865 7.034 -5.376 1.00 10.00 H new ATOM 0 HA SER A 71 3.408 4.379 -5.015 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.139 4.825 -5.054 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.891 6.312 -4.509 1.00 10.00 H new ATOM 0 HG SER A 71 1.671 7.125 -6.674 1.00 10.00 H new ATOM 1072 N LYS A 72 2.958 5.096 -8.243 1.00 10.00 N ATOM 1073 CA LYS A 72 3.023 4.508 -9.578 1.00 10.00 C ATOM 1074 C LYS A 72 4.292 3.666 -9.791 1.00 10.00 C ATOM 1075 O LYS A 72 4.209 2.553 -10.299 1.00 10.00 O ATOM 1076 CB LYS A 72 2.907 5.592 -10.654 1.00 10.00 C ATOM 1077 CG LYS A 72 1.499 6.198 -10.722 1.00 10.00 C ATOM 1078 CD LYS A 72 0.953 5.917 -12.125 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.457 6.477 -12.321 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.887 6.321 -13.726 1.00 10.00 N ATOM 0 H LYS A 72 2.778 6.100 -8.243 1.00 10.00 H new ATOM 0 HA LYS A 72 2.174 3.830 -9.666 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.630 6.382 -10.450 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.164 5.167 -11.624 1.00 10.00 H new ATOM 0 HG2 LYS A 72 0.853 5.757 -9.962 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.532 7.270 -10.529 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.622 6.354 -12.867 1.00 10.00 H new ATOM 0 HD3 LYS A 72 0.942 4.841 -12.300 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -1.154 5.960 -11.662 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.478 7.531 -12.043 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.846 6.707 -13.840 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -0.231 6.834 -14.349 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.887 5.312 -13.979 1.00 10.00 H new ATOM 1094 N THR A 73 5.458 4.154 -9.373 1.00 10.00 N ATOM 1095 CA THR A 73 6.704 3.385 -9.394 1.00 10.00 C ATOM 1096 C THR A 73 6.606 2.075 -8.594 1.00 10.00 C ATOM 1097 O THR A 73 7.284 1.106 -8.929 1.00 10.00 O ATOM 1098 CB THR A 73 7.892 4.284 -8.981 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.398 4.949 -10.120 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.049 3.564 -8.279 1.00 10.00 C ATOM 0 H THR A 73 5.567 5.100 -9.008 1.00 10.00 H new ATOM 0 HA THR A 73 6.891 3.060 -10.417 1.00 10.00 H new ATOM 0 HB THR A 73 7.481 4.977 -8.247 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.150 5.520 -9.858 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.829 4.284 -8.032 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.685 3.096 -7.365 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.457 2.800 -8.941 1.00 10.00 H new ATOM 1108 N PHE A 74 5.753 2.024 -7.568 1.00 10.00 N ATOM 1109 CA PHE A 74 5.472 0.818 -6.788 1.00 10.00 C ATOM 1110 C PHE A 74 4.236 0.079 -7.290 1.00 10.00 C ATOM 1111 O PHE A 74 3.849 -0.923 -6.684 1.00 10.00 O ATOM 1112 CB PHE A 74 5.275 1.159 -5.300 1.00 10.00 C ATOM 1113 CG PHE A 74 6.548 1.301 -4.501 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.493 0.258 -4.496 1.00 10.00 C ATOM 1115 CD2 PHE A 74 6.720 2.398 -3.640 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.680 0.386 -3.760 1.00 10.00 C ATOM 1117 CE2 PHE A 74 7.907 2.527 -2.903 1.00 10.00 C ATOM 1118 CZ PHE A 74 8.899 1.536 -2.988 1.00 10.00 C ATOM 0 H PHE A 74 5.227 2.838 -7.250 1.00 10.00 H new ATOM 0 HA PHE A 74 6.338 0.167 -6.909 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.714 2.091 -5.228 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.663 0.382 -4.843 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.304 -0.643 -5.060 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.941 3.140 -3.546 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.422 -0.398 -3.788 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.058 3.389 -2.270 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.832 1.660 -2.458 1.00 10.00 H new ATOM 1128 N ILE A 75 3.574 0.565 -8.344 1.00 10.00 N ATOM 1129 CA ILE A 75 2.382 -0.105 -8.830 1.00 10.00 C ATOM 1130 C ILE A 75 2.755 -1.533 -9.230 1.00 10.00 C ATOM 1131 O ILE A 75 3.707 -1.741 -9.980 1.00 10.00 O ATOM 1132 CB ILE A 75 1.709 0.691 -9.957 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.193 0.575 -9.796 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.178 0.279 -11.356 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.543 1.208 -10.963 1.00 10.00 C ATOM 0 H ILE A 75 3.842 1.402 -8.862 1.00 10.00 H new ATOM 0 HA ILE A 75 1.633 -0.160 -8.040 1.00 10.00 H new ATOM 0 HB ILE A 75 2.008 1.735 -9.868 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.086 -0.476 -9.716 1.00 10.00 H new ATOM 0 HG13 ILE A 75 -0.113 1.057 -8.868 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.663 0.881 -12.104 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.253 0.437 -11.441 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.952 -0.775 -11.520 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.618 1.106 -10.814 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.284 2.265 -11.026 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.256 0.708 -11.888 1.00 10.00 H new ATOM 1147 N ILE A 76 2.017 -2.516 -8.722 1.00 10.00 N ATOM 1148 CA ILE A 76 2.216 -3.912 -9.098 1.00 10.00 C ATOM 1149 C ILE A 76 1.096 -4.396 -10.017 1.00 10.00 C ATOM 1150 O ILE A 76 1.210 -5.466 -10.616 1.00 10.00 O ATOM 1151 CB ILE A 76 2.385 -4.787 -7.847 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.328 -4.439 -6.788 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.800 -4.609 -7.273 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.261 -5.471 -5.669 1.00 10.00 C ATOM 0 H ILE A 76 1.270 -2.369 -8.043 1.00 10.00 H new ATOM 0 HA ILE A 76 3.140 -3.997 -9.670 1.00 10.00 H new ATOM 0 HB ILE A 76 2.245 -5.830 -8.131 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.553 -3.461 -6.363 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.351 -4.362 -7.266 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.914 -5.232 -6.386 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.536 -4.905 -8.021 1.00 10.00 H new ATOM 0 HG23 ILE A 76 3.955 -3.564 -7.005 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.498 -5.177 -4.948 1.00 10.00 H new ATOM 0 HD12 ILE A 76 1.008 -6.445 -6.087 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.228 -5.530 -5.170 1.00 10.00 H new ATOM 1166 N GLY A 77 0.021 -3.614 -10.136 1.00 10.00 N ATOM 1167 CA GLY A 77 -1.113 -3.901 -10.988 1.00 10.00 C ATOM 1168 C GLY A 77 -2.285 -3.075 -10.490 1.00 10.00 C ATOM 1169 O GLY A 77 -2.101 -1.973 -9.975 1.00 10.00 O ATOM 0 H GLY A 77 -0.078 -2.739 -9.622 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.884 -3.654 -12.025 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.354 -4.964 -10.959 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.483 -3.635 -10.615 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.725 -2.990 -10.261 1.00 10.00 C ATOM 1175 C GLU A 78 -5.629 -4.019 -9.590 1.00 10.00 C ATOM 1176 O GLU A 78 -5.337 -5.217 -9.558 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.346 -2.356 -11.520 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.083 -0.849 -11.577 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.412 -0.246 -12.936 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -6.606 0.051 -13.149 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -4.450 -0.031 -13.706 1.00 10.00 O ATOM 0 H GLU A 78 -3.612 -4.580 -10.977 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.570 -2.179 -9.550 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.934 -2.832 -12.410 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.420 -2.540 -11.529 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.677 -0.351 -10.810 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -4.036 -0.658 -11.343 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.715 -3.515 -9.021 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.723 -4.301 -8.338 1.00 10.00 C ATOM 1190 C LEU A 79 -8.460 -5.171 -9.362 1.00 10.00 C ATOM 1191 O LEU A 79 -8.889 -4.665 -10.400 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.682 -3.321 -7.656 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.884 -4.029 -7.015 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.516 -4.616 -5.643 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -11.097 -3.095 -6.970 1.00 10.00 C ATOM 0 H LEU A 79 -6.922 -2.516 -9.024 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.281 -4.961 -7.592 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.143 -2.762 -6.891 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.039 -2.597 -8.388 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.168 -4.878 -7.637 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.387 -5.111 -5.214 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.709 -5.339 -5.761 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -9.191 -3.815 -4.980 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.939 -3.614 -6.512 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.853 -2.210 -6.382 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.363 -2.795 -7.984 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.647 -6.457 -9.063 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.356 -7.399 -9.927 1.00 10.00 C ATOM 1209 C HIS A 80 -10.754 -6.914 -10.334 1.00 10.00 C ATOM 1210 O HIS A 80 -11.477 -6.332 -9.524 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.407 -8.773 -9.249 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.449 -9.946 -10.191 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.551 -10.697 -10.513 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.378 -10.493 -10.848 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.162 -11.653 -11.370 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -8.844 -11.564 -11.613 1.00 10.00 N ATOM 0 H HIS A 80 -8.304 -6.879 -8.200 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.798 -7.477 -10.860 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.535 -8.876 -8.604 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.286 -8.811 -8.605 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.354 -10.155 -10.785 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -10.818 -12.392 -11.805 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.294 -12.159 -12.232 1.00 10.00 H new ATOM 1224 N PRO A 81 -11.177 -7.175 -11.581 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.501 -6.812 -12.049 1.00 10.00 C ATOM 1226 C PRO A 81 -13.613 -7.667 -11.426 1.00 10.00 C ATOM 1227 O PRO A 81 -14.782 -7.382 -11.661 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.452 -6.910 -13.574 1.00 10.00 C ATOM 1229 CG PRO A 81 -11.330 -7.908 -13.845 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.385 -7.731 -12.664 1.00 10.00 C ATOM 0 HA PRO A 81 -12.757 -5.800 -11.737 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -13.401 -7.257 -13.982 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -12.244 -5.942 -14.030 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.709 -8.928 -13.903 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -10.830 -7.699 -14.791 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -9.945 -8.685 -12.373 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.561 -7.066 -12.923 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.258 -8.692 -10.639 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.203 -9.500 -9.868 1.00 10.00 C ATOM 1240 C ASP A 82 -14.511 -8.858 -8.505 1.00 10.00 C ATOM 1241 O ASP A 82 -15.526 -9.164 -7.887 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.623 -10.910 -9.687 1.00 10.00 C ATOM 1243 CG ASP A 82 -14.656 -11.928 -9.223 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.704 -12.025 -9.894 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -14.331 -12.646 -8.254 1.00 10.00 O ATOM 0 H ASP A 82 -12.288 -8.985 -10.521 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.145 -9.559 -10.414 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.193 -11.243 -10.632 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -12.810 -10.871 -8.962 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.611 -7.991 -8.018 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.780 -7.282 -6.752 1.00 10.00 C ATOM 1252 C ASP A 83 -14.767 -6.123 -6.933 1.00 10.00 C ATOM 1253 O ASP A 83 -15.712 -5.977 -6.159 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.402 -6.805 -6.271 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.457 -5.863 -5.075 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -13.039 -4.767 -5.200 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.834 -6.230 -4.063 1.00 10.00 O ATOM 0 H ASP A 83 -12.741 -7.764 -8.499 1.00 10.00 H new ATOM 0 HA ASP A 83 -14.198 -7.941 -5.991 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.799 -7.674 -6.009 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.895 -6.302 -7.094 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.509 -5.303 -7.957 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.293 -4.111 -8.261 1.00 10.00 C ATOM 1264 C ARG A 84 -16.703 -4.443 -8.759 1.00 10.00 C ATOM 1265 O ARG A 84 -16.932 -5.609 -9.148 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.547 -3.256 -9.295 1.00 10.00 C ATOM 1267 CG ARG A 84 -14.526 -3.942 -10.668 1.00 10.00 C ATOM 1268 CD ARG A 84 -13.603 -3.224 -11.660 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.195 -3.223 -11.216 1.00 10.00 N ATOM 1270 CZ ARG A 84 -11.253 -2.384 -11.683 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -11.553 -1.530 -12.667 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -10.015 -2.397 -11.186 1.00 10.00 N ATOM 0 H ARG A 84 -13.737 -5.455 -8.606 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.414 -3.551 -7.334 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.027 -2.281 -9.380 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.526 -3.080 -8.957 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -14.198 -4.975 -10.551 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.538 -3.973 -11.072 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.674 -3.708 -12.634 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.942 -2.196 -11.789 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.918 -3.903 -10.508 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -12.494 -1.516 -13.061 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -10.841 -0.892 -13.024 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -9.771 -3.050 -10.441 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -9.312 -1.754 -11.551 1.00 10.00 H new TER 1286 ARG A 84 HETATM 1287 FE HEM A 201 2.850 7.293 2.914 1.00 10.00 FE HETATM 1288 CHA HEM A 201 4.310 9.942 4.611 1.00 10.00 C HETATM 1289 CHB HEM A 201 5.034 7.736 0.267 1.00 10.00 C HETATM 1290 CHC HEM A 201 1.228 4.741 1.191 1.00 10.00 C HETATM 1291 CHD HEM A 201 0.722 6.741 5.666 1.00 10.00 C HETATM 1292 NA HEM A 201 4.399 8.592 2.516 1.00 10.00 N HETATM 1293 C1A HEM A 201 4.769 9.627 3.325 1.00 10.00 C HETATM 1294 C2A HEM A 201 5.733 10.417 2.594 1.00 10.00 C HETATM 1295 C3A HEM A 201 5.990 9.765 1.405 1.00 10.00 C HETATM 1296 C4A HEM A 201 5.125 8.609 1.355 1.00 10.00 C HETATM 1297 CMA HEM A 201 6.933 10.220 0.312 1.00 10.00 C HETATM 1298 CAA HEM A 201 6.217 11.795 2.992 1.00 10.00 C HETATM 1299 CBA HEM A 201 5.087 12.837 2.988 1.00 10.00 C HETATM 1300 CGA HEM A 201 5.603 14.271 2.934 1.00 10.00 C HETATM 1301 O1A HEM A 201 6.819 14.458 3.155 1.00 10.00 O HETATM 1302 O2A HEM A 201 4.766 15.155 2.648 1.00 10.00 O HETATM 1303 NB HEM A 201 3.104 6.388 1.095 1.00 10.00 N HETATM 1304 C1B HEM A 201 4.071 6.730 0.174 1.00 10.00 C HETATM 1305 C2B HEM A 201 3.906 5.872 -0.977 1.00 10.00 C HETATM 1306 C3B HEM A 201 2.821 5.077 -0.705 1.00 10.00 C HETATM 1307 C4B HEM A 201 2.317 5.381 0.605 1.00 10.00 C HETATM 1308 CMB HEM A 201 4.746 5.875 -2.230 1.00 10.00 C HETATM 1309 CAB HEM A 201 2.218 4.051 -1.636 1.00 10.00 C HETATM 1310 CBB HEM A 201 1.230 4.381 -2.481 1.00 10.00 C HETATM 1311 NC HEM A 201 1.252 5.983 3.344 1.00 10.00 N HETATM 1312 C1C HEM A 201 0.767 5.032 2.475 1.00 10.00 C HETATM 1313 C2C HEM A 201 -0.336 4.359 3.126 1.00 10.00 C HETATM 1314 C3C HEM A 201 -0.436 4.914 4.378 1.00 10.00 C HETATM 1315 C4C HEM A 201 0.550 5.954 4.523 1.00 10.00 C HETATM 1316 CMC HEM A 201 -1.224 3.282 2.552 1.00 10.00 C HETATM 1317 CAC HEM A 201 -1.506 4.587 5.398 1.00 10.00 C HETATM 1318 CBC HEM A 201 -1.596 3.357 5.953 1.00 10.00 C HETATM 1319 ND HEM A 201 2.570 8.183 4.810 1.00 10.00 N HETATM 1320 C1D HEM A 201 1.684 7.754 5.764 1.00 10.00 C HETATM 1321 C2D HEM A 201 1.948 8.513 6.962 1.00 10.00 C HETATM 1322 C3D HEM A 201 2.933 9.427 6.666 1.00 10.00 C HETATM 1323 C4D HEM A 201 3.323 9.215 5.289 1.00 10.00 C HETATM 1324 CMD HEM A 201 1.297 8.327 8.313 1.00 10.00 C HETATM 1325 CAD HEM A 201 3.558 10.380 7.661 1.00 10.00 C HETATM 1326 CBD HEM A 201 2.608 11.475 8.156 1.00 10.00 C HETATM 1327 CGD HEM A 201 3.095 12.858 7.747 1.00 10.00 C HETATM 1328 O1D HEM A 201 4.150 13.260 8.282 1.00 10.00 O HETATM 1329 O2D HEM A 201 2.412 13.479 6.905 1.00 10.00 O HETATM 0 HMA1 HEM A 201 7.041 11.304 0.353 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 6.530 9.932 -0.659 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 7.907 9.752 0.454 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 5.127 6.880 -2.410 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 4.137 5.561 -3.077 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 5.582 5.186 -2.109 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 -1.569 2.629 3.354 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 -0.662 2.697 1.824 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 -2.083 3.741 2.063 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 1.998 8.614 9.097 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 1.018 7.281 8.441 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 0.406 8.951 8.376 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 0.807 3.628 -3.146 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 0.850 5.402 -2.503 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 -2.375 3.145 6.685 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 -0.889 2.577 5.668 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 4.478 12.709 3.883 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 4.437 12.658 2.132 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 7.003 12.113 2.307 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 6.661 11.748 3.987 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 2.524 11.423 9.242 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 1.611 11.304 7.751 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 4.429 10.849 7.202 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 3.917 9.810 8.518 1.00 10.00 H new HETATM 0 HHA HEM A 201 4.743 10.797 5.109 1.00 10.00 H new HETATM 0 HHB HEM A 201 5.743 7.845 -0.540 1.00 10.00 H new HETATM 0 HHC HEM A 201 0.714 3.980 0.622 1.00 10.00 H new HETATM 0 HHD HEM A 201 0.081 6.558 6.516 1.00 10.00 H new HETATM 0 HAB HEM A 201 2.592 3.027 -1.621 1.00 10.00 H new HETATM 0 HAC HEM A 201 -2.218 5.358 5.691 1.00 10.00 H new