USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=23 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 -133:sc= 1.11 USER MOD Set 1.2: A 65 THR OG1 : rot 62:sc= 1.23 USER MOD Set 2.1: A 15 HIS : no HD1:sc= -0.287 K(o=0.82,f=-8.6!) USER MOD Set 2.2: A 20 SER OG : rot 88:sc= 1.11 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot -51:sc= 1.27 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 27:sc= 0.238 USER MOD Single : A 13 GLN : amide:sc= -1.68 K(o=-1.7,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -150:sc= 1.66 (180deg=0.263!) USER MOD Single : A 16 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.58) USER MOD Single : A 17 ASN : amide:sc= 1.99 K(o=2,f=-7.2!) USER MOD Single : A 18 SER OG : rot 54:sc= 0.52 USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= 1.17 (180deg=-0.508) USER MOD Single : A 21 THR OG1 : rot 2:sc= 0.379 USER MOD Single : A 26 HIS : no HE2:sc= 0.343 K(o=0.34,f=-7.1!) USER MOD Single : A 27 TYR OH : rot -114:sc= 1.18 USER MOD Single : A 28 LYS NZ :NH3+ 142:sc= 0.69 (180deg=-0.446!) USER MOD Single : A 30 TYR OH : rot 27:sc= 1.17 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.37 K(o=-1.4,f=-5.6!) USER MOD Single : A 55 THR OG1 : rot 88:sc= 1.99 USER MOD Single : A 57 ASN : amide:sc= -0.375 K(o=-0.38,f=-6.2!) USER MOD Single : A 61 HIS : no HE2:sc= 0.906 K(o=0.91,f=-4.7!) USER MOD Single : A 71 SER OG : rot -58:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ -127:sc= 0.65 (180deg=-3.35!) USER MOD Single : A 73 THR OG1 : rot -40:sc= 0.123 USER MOD Single : A 80 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-1) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.313 (180deg=-0.658) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -0.892 (180deg=-2.82!) USER MOD Single : A 201 HEM CMC :methyl 150:sc= -0.391 (180deg=-0.391) USER MOD Single : A 201 HEM CMD :methyl -30:sc=-0.00623 (180deg=-0.253) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 -5.809 21.861 -0.703 1.00 10.00 N ATOM 2 CA ALA A 3 -6.276 20.911 0.322 1.00 10.00 C ATOM 3 C ALA A 3 -5.574 19.587 0.040 1.00 10.00 C ATOM 4 O ALA A 3 -4.606 19.609 -0.720 1.00 10.00 O ATOM 5 CB ALA A 3 -7.805 20.790 0.299 1.00 10.00 C ATOM 0 HA ALA A 3 -6.029 21.251 1.328 1.00 10.00 H new ATOM 0 HB1 ALA A 3 -8.126 20.083 1.064 1.00 10.00 H new ATOM 0 HB2 ALA A 3 -8.250 21.765 0.496 1.00 10.00 H new ATOM 0 HB3 ALA A 3 -8.127 20.435 -0.680 1.00 10.00 H new ATOM 13 N VAL A 4 -6.055 18.471 0.590 1.00 10.00 N ATOM 14 CA VAL A 4 -5.681 17.152 0.095 1.00 10.00 C ATOM 15 C VAL A 4 -6.203 16.973 -1.341 1.00 10.00 C ATOM 16 O VAL A 4 -6.861 17.861 -1.885 1.00 10.00 O ATOM 17 CB VAL A 4 -6.216 16.052 1.035 1.00 10.00 C ATOM 18 CG1 VAL A 4 -5.648 16.160 2.453 1.00 10.00 C ATOM 19 CG2 VAL A 4 -7.752 16.014 1.103 1.00 10.00 C ATOM 0 H VAL A 4 -6.703 18.458 1.377 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.595 17.065 0.077 1.00 10.00 H new ATOM 0 HB VAL A 4 -5.870 15.118 0.591 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.058 15.361 3.071 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.562 16.070 2.418 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.919 17.125 2.881 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -8.067 15.220 1.780 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -8.124 16.971 1.469 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -8.156 15.824 0.108 1.00 10.00 H new ATOM 29 N LYS A 5 -5.954 15.800 -1.928 1.00 10.00 N ATOM 30 CA LYS A 5 -6.727 15.308 -3.057 1.00 10.00 C ATOM 31 C LYS A 5 -7.766 14.384 -2.445 1.00 10.00 C ATOM 32 O LYS A 5 -8.962 14.531 -2.674 1.00 10.00 O ATOM 33 CB LYS A 5 -5.861 14.478 -4.018 1.00 10.00 C ATOM 34 CG LYS A 5 -5.027 15.293 -5.011 1.00 10.00 C ATOM 35 CD LYS A 5 -4.538 14.315 -6.091 1.00 10.00 C ATOM 36 CE LYS A 5 -3.702 14.997 -7.181 1.00 10.00 C ATOM 37 NZ LYS A 5 -3.361 14.048 -8.263 1.00 10.00 N ATOM 0 H LYS A 5 -5.210 15.169 -1.630 1.00 10.00 H new ATOM 0 HA LYS A 5 -7.148 16.138 -3.625 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -5.189 13.854 -3.429 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -6.510 13.806 -4.579 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -5.624 16.090 -5.454 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -4.184 15.767 -4.509 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -3.943 13.531 -5.622 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -5.399 13.830 -6.551 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -4.256 15.840 -7.594 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -2.788 15.399 -6.744 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -2.795 14.536 -8.987 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -2.813 13.256 -7.870 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -4.235 13.684 -8.694 1.00 10.00 H new ATOM 51 N TYR A 6 -7.243 13.423 -1.674 1.00 10.00 N ATOM 52 CA TYR A 6 -7.911 12.197 -1.318 1.00 10.00 C ATOM 53 C TYR A 6 -8.189 11.362 -2.553 1.00 10.00 C ATOM 54 O TYR A 6 -8.022 11.778 -3.698 1.00 10.00 O ATOM 55 CB TYR A 6 -9.200 12.409 -0.526 1.00 10.00 C ATOM 56 CG TYR A 6 -9.133 12.726 0.945 1.00 10.00 C ATOM 57 CD1 TYR A 6 -7.933 13.000 1.615 1.00 10.00 C ATOM 58 CD2 TYR A 6 -10.250 12.337 1.688 1.00 10.00 C ATOM 59 CE1 TYR A 6 -7.913 12.969 3.020 1.00 10.00 C ATOM 60 CE2 TYR A 6 -10.099 11.936 3.017 1.00 10.00 C ATOM 61 CZ TYR A 6 -8.957 12.336 3.721 1.00 10.00 C ATOM 62 OH TYR A 6 -8.810 11.953 5.019 1.00 10.00 O ATOM 0 H TYR A 6 -6.308 13.495 -1.274 1.00 10.00 H new ATOM 0 HA TYR A 6 -7.227 11.664 -0.658 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -9.748 13.219 -1.008 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -9.801 11.507 -0.637 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.036 13.232 1.060 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -11.230 12.346 1.235 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.099 13.429 3.560 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -10.852 11.326 3.495 1.00 10.00 H new ATOM 0 HH TYR A 6 -7.985 11.433 5.115 1.00 10.00 H new ATOM 72 N TYR A 7 -8.529 10.123 -2.246 1.00 10.00 N ATOM 73 CA TYR A 7 -8.486 9.021 -3.153 1.00 10.00 C ATOM 74 C TYR A 7 -9.622 8.060 -2.809 1.00 10.00 C ATOM 75 O TYR A 7 -9.783 7.591 -1.685 1.00 10.00 O ATOM 76 CB TYR A 7 -7.094 8.415 -2.985 1.00 10.00 C ATOM 77 CG TYR A 7 -6.016 8.732 -4.022 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.252 9.562 -5.144 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.685 8.459 -3.664 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.197 10.289 -5.723 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.632 9.190 -4.238 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.897 10.158 -5.218 1.00 10.00 C ATOM 83 OH TYR A 7 -2.919 11.031 -5.598 1.00 10.00 O ATOM 0 H TYR A 7 -8.854 9.860 -1.316 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.634 9.295 -4.198 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -6.715 8.726 -2.011 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.209 7.332 -2.951 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.247 9.637 -5.557 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.471 7.683 -2.944 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.389 10.948 -6.557 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.615 9.006 -3.924 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.079 10.795 -5.152 1.00 10.00 H new ATOM 93 N THR A 8 -10.448 7.827 -3.814 1.00 10.00 N ATOM 94 CA THR A 8 -11.664 7.042 -3.759 1.00 10.00 C ATOM 95 C THR A 8 -11.308 5.591 -4.033 1.00 10.00 C ATOM 96 O THR A 8 -10.507 5.347 -4.934 1.00 10.00 O ATOM 97 CB THR A 8 -12.573 7.568 -4.875 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.808 7.705 -6.059 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.111 8.955 -4.530 1.00 10.00 C ATOM 0 H THR A 8 -10.275 8.205 -4.746 1.00 10.00 H new ATOM 0 HA THR A 8 -12.156 7.114 -2.789 1.00 10.00 H new ATOM 0 HB THR A 8 -13.399 6.868 -5.000 1.00 10.00 H new ATOM 0 HG1 THR A 8 -11.063 7.068 -6.043 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.753 9.307 -5.337 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.686 8.903 -3.605 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.278 9.647 -4.401 1.00 10.00 H new ATOM 107 N LEU A 9 -11.921 4.631 -3.341 1.00 10.00 N ATOM 108 CA LEU A 9 -11.713 3.211 -3.611 1.00 10.00 C ATOM 109 C LEU A 9 -11.751 2.873 -5.104 1.00 10.00 C ATOM 110 O LEU A 9 -10.943 2.070 -5.553 1.00 10.00 O ATOM 111 CB LEU A 9 -12.660 2.391 -2.741 1.00 10.00 C ATOM 112 CG LEU A 9 -12.834 0.907 -3.120 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.181 0.107 -1.859 1.00 10.00 C ATOM 114 CD2 LEU A 9 -13.958 0.692 -4.143 1.00 10.00 C ATOM 0 H LEU A 9 -12.574 4.816 -2.580 1.00 10.00 H new ATOM 0 HA LEU A 9 -10.697 2.935 -3.328 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -12.306 2.440 -1.711 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -13.641 2.866 -2.764 1.00 10.00 H new ATOM 0 HG LEU A 9 -11.897 0.574 -3.565 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.306 -0.944 -2.118 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.376 0.208 -1.131 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.108 0.488 -1.430 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.039 -0.370 -4.376 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -14.901 1.046 -3.727 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.732 1.247 -5.053 1.00 10.00 H new ATOM 126 N GLU A 10 -12.614 3.528 -5.886 1.00 10.00 N ATOM 127 CA GLU A 10 -12.605 3.452 -7.345 1.00 10.00 C ATOM 128 C GLU A 10 -11.176 3.552 -7.904 1.00 10.00 C ATOM 129 O GLU A 10 -10.708 2.669 -8.629 1.00 10.00 O ATOM 130 CB GLU A 10 -13.488 4.586 -7.890 1.00 10.00 C ATOM 131 CG GLU A 10 -13.701 4.530 -9.409 1.00 10.00 C ATOM 132 CD GLU A 10 -14.388 3.247 -9.855 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.557 3.057 -9.467 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.713 2.470 -10.566 1.00 10.00 O ATOM 0 H GLU A 10 -13.347 4.133 -5.516 1.00 10.00 H new ATOM 0 HA GLU A 10 -12.999 2.486 -7.662 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.458 4.548 -7.395 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -13.035 5.543 -7.631 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.300 5.386 -9.720 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.737 4.616 -9.911 1.00 10.00 H new ATOM 141 N GLU A 11 -10.488 4.638 -7.545 1.00 10.00 N ATOM 142 CA GLU A 11 -9.102 4.902 -7.907 1.00 10.00 C ATOM 143 C GLU A 11 -8.197 3.868 -7.271 1.00 10.00 C ATOM 144 O GLU A 11 -7.286 3.345 -7.909 1.00 10.00 O ATOM 145 CB GLU A 11 -8.638 6.278 -7.406 1.00 10.00 C ATOM 146 CG GLU A 11 -9.251 7.434 -8.205 1.00 10.00 C ATOM 147 CD GLU A 11 -8.612 7.577 -9.582 1.00 10.00 C ATOM 148 OE1 GLU A 11 -9.043 6.839 -10.495 1.00 10.00 O ATOM 149 OE2 GLU A 11 -7.694 8.418 -9.688 1.00 10.00 O ATOM 0 H GLU A 11 -10.897 5.379 -6.976 1.00 10.00 H new ATOM 0 HA GLU A 11 -9.045 4.867 -8.995 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -8.904 6.386 -6.355 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.551 6.335 -7.467 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -10.323 7.269 -8.318 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -9.128 8.364 -7.650 1.00 10.00 H new ATOM 156 N ILE A 12 -8.397 3.614 -5.981 1.00 10.00 N ATOM 157 CA ILE A 12 -7.431 2.808 -5.263 1.00 10.00 C ATOM 158 C ILE A 12 -7.370 1.412 -5.897 1.00 10.00 C ATOM 159 O ILE A 12 -6.287 0.882 -6.138 1.00 10.00 O ATOM 160 CB ILE A 12 -7.711 2.803 -3.744 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.801 4.230 -3.164 1.00 10.00 C ATOM 162 CG2 ILE A 12 -6.621 2.050 -2.971 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.377 4.253 -1.748 1.00 10.00 C ATOM 0 H ILE A 12 -9.191 3.943 -5.432 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.437 3.246 -5.355 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.671 2.300 -3.625 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.807 4.678 -3.156 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -8.422 4.845 -3.815 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.852 2.068 -1.906 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.578 1.017 -3.316 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.657 2.530 -3.141 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.418 5.281 -1.389 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.382 3.831 -1.757 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.742 3.663 -1.087 1.00 10.00 H new ATOM 175 N GLN A 13 -8.540 0.870 -6.246 1.00 10.00 N ATOM 176 CA GLN A 13 -8.697 -0.372 -6.988 1.00 10.00 C ATOM 177 C GLN A 13 -8.014 -0.244 -8.344 1.00 10.00 C ATOM 178 O GLN A 13 -7.259 -1.113 -8.765 1.00 10.00 O ATOM 179 CB GLN A 13 -10.193 -0.649 -7.208 1.00 10.00 C ATOM 180 CG GLN A 13 -10.846 -1.298 -5.981 1.00 10.00 C ATOM 181 CD GLN A 13 -10.753 -2.822 -6.018 1.00 10.00 C ATOM 182 OE1 GLN A 13 -11.669 -3.455 -5.447 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.810 -3.327 -6.668 1.00 10.00 N ATOM 0 H GLN A 13 -9.432 1.304 -6.009 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.247 -1.189 -6.424 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.704 0.286 -7.438 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -10.317 -1.302 -8.072 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -10.364 -0.928 -5.076 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.893 -1.001 -5.929 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.108 -2.725 -7.099 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.743 -4.340 -6.766 1.00 10.00 H new ATOM 190 N LYS A 14 -8.300 0.856 -9.045 1.00 10.00 N ATOM 191 CA LYS A 14 -7.705 1.159 -10.336 1.00 10.00 C ATOM 192 C LYS A 14 -6.177 0.992 -10.291 1.00 10.00 C ATOM 193 O LYS A 14 -5.578 0.378 -11.176 1.00 10.00 O ATOM 194 CB LYS A 14 -8.101 2.591 -10.719 1.00 10.00 C ATOM 195 CG LYS A 14 -8.207 2.852 -12.221 1.00 10.00 C ATOM 196 CD LYS A 14 -9.413 2.161 -12.884 1.00 10.00 C ATOM 197 CE LYS A 14 -10.792 2.588 -12.338 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.230 1.849 -11.133 1.00 10.00 N ATOM 0 H LYS A 14 -8.959 1.565 -8.723 1.00 10.00 H new ATOM 0 HA LYS A 14 -8.073 0.463 -11.090 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.061 2.823 -10.257 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.369 3.280 -10.297 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -8.276 3.927 -12.390 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -7.292 2.511 -12.706 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -9.385 2.363 -13.955 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.308 1.083 -12.760 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -10.763 3.653 -12.105 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -11.537 2.453 -13.122 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.268 1.791 -11.120 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -10.830 0.889 -11.150 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -10.900 2.347 -10.282 1.00 10.00 H new ATOM 212 N HIS A 15 -5.538 1.537 -9.253 1.00 10.00 N ATOM 213 CA HIS A 15 -4.097 1.458 -9.056 1.00 10.00 C ATOM 214 C HIS A 15 -3.668 0.096 -8.493 1.00 10.00 C ATOM 215 O HIS A 15 -3.093 -0.021 -7.406 1.00 10.00 O ATOM 216 CB HIS A 15 -3.643 2.613 -8.177 1.00 10.00 C ATOM 217 CG HIS A 15 -3.536 3.924 -8.911 1.00 10.00 C ATOM 218 ND1 HIS A 15 -2.357 4.572 -9.182 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.545 4.650 -9.486 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.644 5.657 -9.918 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.965 5.746 -10.133 1.00 10.00 N ATOM 0 H HIS A 15 -6.019 2.053 -8.516 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.605 1.546 -10.025 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.343 2.726 -7.349 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.673 2.369 -7.743 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.599 4.418 -9.447 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.912 6.361 -10.286 1.00 10.00 H new ATOM 0 HE2 HIS A 15 -4.450 6.470 -10.663 1.00 10.00 H new ATOM 229 N ASN A 16 -3.895 -0.935 -9.299 1.00 10.00 N ATOM 230 CA ASN A 16 -3.624 -2.321 -8.962 1.00 10.00 C ATOM 231 C ASN A 16 -3.312 -3.119 -10.223 1.00 10.00 C ATOM 232 O ASN A 16 -4.204 -3.730 -10.803 1.00 10.00 O ATOM 233 CB ASN A 16 -4.819 -2.941 -8.227 1.00 10.00 C ATOM 234 CG ASN A 16 -4.526 -4.383 -7.839 1.00 10.00 C ATOM 235 OD1 ASN A 16 -5.024 -5.326 -8.445 1.00 10.00 O ATOM 236 ND2 ASN A 16 -3.671 -4.556 -6.842 1.00 10.00 N ATOM 0 H ASN A 16 -4.285 -0.822 -10.234 1.00 10.00 H new ATOM 0 HA ASN A 16 -2.757 -2.352 -8.302 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -5.045 -2.358 -7.334 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -5.703 -2.903 -8.864 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -3.406 -5.498 -6.555 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -3.277 -3.747 -6.362 1.00 10.00 H new ATOM 243 N ASN A 17 -2.036 -3.125 -10.620 1.00 10.00 N ATOM 244 CA ASN A 17 -1.336 -4.233 -11.289 1.00 10.00 C ATOM 245 C ASN A 17 -0.121 -3.708 -12.038 1.00 10.00 C ATOM 246 O ASN A 17 0.987 -4.203 -11.857 1.00 10.00 O ATOM 247 CB ASN A 17 -2.193 -5.102 -12.236 1.00 10.00 C ATOM 248 CG ASN A 17 -2.635 -6.397 -11.555 1.00 10.00 C ATOM 249 OD1 ASN A 17 -1.908 -7.388 -11.599 1.00 10.00 O ATOM 250 ND2 ASN A 17 -3.785 -6.411 -10.899 1.00 10.00 N ATOM 0 H ASN A 17 -1.430 -2.317 -10.478 1.00 10.00 H new ATOM 0 HA ASN A 17 -1.047 -4.901 -10.477 1.00 10.00 H new ATOM 0 HB2 ASN A 17 -3.070 -4.539 -12.555 1.00 10.00 H new ATOM 0 HB3 ASN A 17 -1.621 -5.338 -13.134 1.00 10.00 H new ATOM 0 HD21 ASN A 17 -4.086 -7.257 -10.415 1.00 10.00 H new ATOM 0 HD22 ASN A 17 -4.370 -5.576 -10.878 1.00 10.00 H new ATOM 257 N SER A 18 -0.344 -2.717 -12.901 1.00 10.00 N ATOM 258 CA SER A 18 0.700 -2.086 -13.690 1.00 10.00 C ATOM 259 C SER A 18 0.203 -0.699 -14.095 1.00 10.00 C ATOM 260 O SER A 18 -0.039 -0.419 -15.275 1.00 10.00 O ATOM 261 CB SER A 18 1.075 -2.980 -14.881 1.00 10.00 C ATOM 262 OG SER A 18 -0.031 -3.127 -15.746 1.00 10.00 O ATOM 0 H SER A 18 -1.272 -2.328 -13.070 1.00 10.00 H new ATOM 0 HA SER A 18 1.619 -1.961 -13.118 1.00 10.00 H new ATOM 0 HB2 SER A 18 1.914 -2.544 -15.423 1.00 10.00 H new ATOM 0 HB3 SER A 18 1.399 -3.957 -14.524 1.00 10.00 H new ATOM 0 HG SER A 18 -0.364 -2.242 -16.004 1.00 10.00 H new ATOM 268 N LYS A 19 -0.023 0.126 -13.071 1.00 10.00 N ATOM 269 CA LYS A 19 -0.355 1.546 -13.140 1.00 10.00 C ATOM 270 C LYS A 19 0.342 2.204 -11.956 1.00 10.00 C ATOM 271 O LYS A 19 1.151 3.117 -12.107 1.00 10.00 O ATOM 272 CB LYS A 19 -1.878 1.770 -13.061 1.00 10.00 C ATOM 273 CG LYS A 19 -2.668 1.136 -14.212 1.00 10.00 C ATOM 274 CD LYS A 19 -2.373 1.846 -15.546 1.00 10.00 C ATOM 275 CE LYS A 19 -2.842 1.063 -16.776 1.00 10.00 C ATOM 276 NZ LYS A 19 -2.171 -0.249 -16.871 1.00 10.00 N ATOM 0 H LYS A 19 0.025 -0.205 -12.107 1.00 10.00 H new ATOM 0 HA LYS A 19 -0.027 1.974 -14.087 1.00 10.00 H new ATOM 0 HB2 LYS A 19 -2.245 1.366 -12.118 1.00 10.00 H new ATOM 0 HB3 LYS A 19 -2.076 2.842 -13.047 1.00 10.00 H new ATOM 0 HG2 LYS A 19 -2.411 0.080 -14.294 1.00 10.00 H new ATOM 0 HG3 LYS A 19 -3.735 1.189 -13.997 1.00 10.00 H new ATOM 0 HD2 LYS A 19 -2.856 2.823 -15.542 1.00 10.00 H new ATOM 0 HD3 LYS A 19 -1.300 2.021 -15.625 1.00 10.00 H new ATOM 0 HE2 LYS A 19 -3.921 0.918 -16.727 1.00 10.00 H new ATOM 0 HE3 LYS A 19 -2.639 1.643 -17.677 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 -2.132 -0.547 -17.866 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 -1.205 -0.173 -16.494 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 -2.703 -0.952 -16.320 1.00 10.00 H new ATOM 290 N SER A 20 0.079 1.667 -10.767 1.00 10.00 N ATOM 291 CA SER A 20 0.944 1.752 -9.624 1.00 10.00 C ATOM 292 C SER A 20 0.629 0.472 -8.853 1.00 10.00 C ATOM 293 O SER A 20 0.026 -0.453 -9.412 1.00 10.00 O ATOM 294 CB SER A 20 0.640 3.024 -8.824 1.00 10.00 C ATOM 295 OG SER A 20 0.274 4.095 -9.674 1.00 10.00 O ATOM 0 H SER A 20 -0.777 1.145 -10.581 1.00 10.00 H new ATOM 0 HA SER A 20 2.004 1.823 -9.867 1.00 10.00 H new ATOM 0 HB2 SER A 20 -0.166 2.827 -8.117 1.00 10.00 H new ATOM 0 HB3 SER A 20 1.515 3.305 -8.239 1.00 10.00 H new ATOM 0 HG SER A 20 -0.692 4.068 -9.837 1.00 10.00 H new ATOM 301 N THR A 21 0.976 0.418 -7.576 1.00 10.00 N ATOM 302 CA THR A 21 0.393 -0.556 -6.662 1.00 10.00 C ATOM 303 C THR A 21 0.080 0.132 -5.330 1.00 10.00 C ATOM 304 O THR A 21 0.986 0.447 -4.559 1.00 10.00 O ATOM 305 CB THR A 21 1.315 -1.774 -6.573 1.00 10.00 C ATOM 306 OG1 THR A 21 1.337 -2.417 -7.835 1.00 10.00 O ATOM 307 CG2 THR A 21 0.808 -2.798 -5.560 1.00 10.00 C ATOM 0 H THR A 21 1.661 1.040 -7.147 1.00 10.00 H new ATOM 0 HA THR A 21 -0.561 -0.941 -7.022 1.00 10.00 H new ATOM 0 HB THR A 21 2.300 -1.422 -6.267 1.00 10.00 H new ATOM 0 HG1 THR A 21 0.783 -1.914 -8.468 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.491 -3.647 -5.528 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.754 -2.338 -4.573 1.00 10.00 H new ATOM 0 HG23 THR A 21 -0.184 -3.141 -5.855 1.00 10.00 H new ATOM 315 N TRP A 22 -1.213 0.398 -5.110 1.00 10.00 N ATOM 316 CA TRP A 22 -1.766 1.199 -4.024 1.00 10.00 C ATOM 317 C TRP A 22 -2.317 0.295 -2.933 1.00 10.00 C ATOM 318 O TRP A 22 -2.889 -0.742 -3.243 1.00 10.00 O ATOM 319 CB TRP A 22 -2.879 2.071 -4.620 1.00 10.00 C ATOM 320 CG TRP A 22 -2.428 3.376 -5.201 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.186 3.642 -5.641 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.203 4.568 -5.500 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.153 4.867 -6.267 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.398 5.470 -6.257 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.509 4.982 -5.193 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -2.919 6.669 -6.775 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.073 6.115 -5.793 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.293 6.936 -6.622 1.00 10.00 C ATOM 0 H TRP A 22 -1.941 0.035 -5.726 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.996 1.825 -3.573 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.386 1.502 -5.399 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.615 2.274 -3.842 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.335 2.988 -5.520 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.318 5.278 -6.685 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.090 4.416 -4.480 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.276 7.373 -7.282 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.111 6.357 -5.617 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.745 7.769 -7.140 1.00 10.00 H new ATOM 339 N LEU A 23 -2.189 0.675 -1.663 1.00 10.00 N ATOM 340 CA LEU A 23 -2.836 -0.031 -0.565 1.00 10.00 C ATOM 341 C LEU A 23 -3.257 0.974 0.492 1.00 10.00 C ATOM 342 O LEU A 23 -2.795 2.116 0.478 1.00 10.00 O ATOM 343 CB LEU A 23 -1.979 -1.166 0.034 1.00 10.00 C ATOM 344 CG LEU A 23 -0.510 -1.289 -0.379 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.283 -0.368 0.534 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.061 -2.746 -0.216 1.00 10.00 C ATOM 0 H LEU A 23 -1.635 1.479 -1.369 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.716 -0.532 -0.968 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -2.007 -1.061 1.119 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.468 -2.109 -0.208 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.355 -1.007 -1.421 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.341 -0.422 0.276 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.068 0.657 0.411 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.146 -0.677 1.570 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.985 -2.839 -0.509 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.175 -3.047 0.825 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.674 -3.388 -0.848 1.00 10.00 H new ATOM 358 N ILE A 24 -4.147 0.539 1.385 1.00 10.00 N ATOM 359 CA ILE A 24 -4.659 1.327 2.488 1.00 10.00 C ATOM 360 C ILE A 24 -4.175 0.685 3.776 1.00 10.00 C ATOM 361 O ILE A 24 -4.415 -0.503 3.993 1.00 10.00 O ATOM 362 CB ILE A 24 -6.197 1.407 2.453 1.00 10.00 C ATOM 363 CG1 ILE A 24 -6.761 1.666 1.047 1.00 10.00 C ATOM 364 CG2 ILE A 24 -6.705 2.461 3.446 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.274 1.448 0.998 1.00 10.00 C ATOM 0 H ILE A 24 -4.539 -0.402 1.352 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.294 2.351 2.416 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.564 0.425 2.752 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.530 2.687 0.744 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.274 1.004 0.331 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -7.793 2.503 3.407 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.388 2.194 4.454 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.295 3.436 3.183 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -8.637 1.640 -0.012 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.503 0.419 1.276 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.762 2.129 1.695 1.00 10.00 H new ATOM 377 N LEU A 25 -3.478 1.481 4.589 1.00 10.00 N ATOM 378 CA LEU A 25 -2.905 1.083 5.869 1.00 10.00 C ATOM 379 C LEU A 25 -3.377 2.121 6.887 1.00 10.00 C ATOM 380 O LEU A 25 -2.765 3.178 7.032 1.00 10.00 O ATOM 381 CB LEU A 25 -1.369 1.041 5.788 1.00 10.00 C ATOM 382 CG LEU A 25 -0.737 -0.298 5.378 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.238 -0.848 4.045 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.782 -0.119 5.272 1.00 10.00 C ATOM 0 H LEU A 25 -3.292 2.458 4.362 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.226 0.082 6.156 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.045 1.802 5.078 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -0.969 1.322 6.762 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.023 -1.014 6.148 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.741 -1.794 3.832 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.315 -1.008 4.099 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.016 -0.135 3.251 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.240 -1.064 4.981 1.00 10.00 H new ATOM 0 HD22 LEU A 25 1.008 0.639 4.522 1.00 10.00 H new ATOM 0 HD23 LEU A 25 1.180 0.195 6.237 1.00 10.00 H new ATOM 396 N HIS A 26 -4.481 1.839 7.581 1.00 10.00 N ATOM 397 CA HIS A 26 -5.085 2.751 8.548 1.00 10.00 C ATOM 398 C HIS A 26 -5.696 3.963 7.831 1.00 10.00 C ATOM 399 O HIS A 26 -5.331 5.106 8.104 1.00 10.00 O ATOM 400 CB HIS A 26 -4.089 3.157 9.659 1.00 10.00 C ATOM 401 CG HIS A 26 -3.195 2.056 10.184 1.00 10.00 C ATOM 402 ND1 HIS A 26 -3.499 1.169 11.194 1.00 10.00 N ATOM 403 CD2 HIS A 26 -1.889 1.834 9.824 1.00 10.00 C ATOM 404 CE1 HIS A 26 -2.403 0.425 11.424 1.00 10.00 C ATOM 405 NE2 HIS A 26 -1.388 0.798 10.621 1.00 10.00 N ATOM 0 H HIS A 26 -4.986 0.958 7.484 1.00 10.00 H new ATOM 0 HA HIS A 26 -5.896 2.226 9.053 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -3.458 3.959 9.278 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -4.656 3.567 10.495 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -4.393 1.091 11.679 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -1.343 2.366 9.059 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -2.344 -0.367 12.156 1.00 10.00 H new ATOM 413 N TYR A 27 -6.615 3.710 6.889 1.00 10.00 N ATOM 414 CA TYR A 27 -7.362 4.704 6.108 1.00 10.00 C ATOM 415 C TYR A 27 -6.508 5.563 5.163 1.00 10.00 C ATOM 416 O TYR A 27 -7.009 5.988 4.123 1.00 10.00 O ATOM 417 CB TYR A 27 -8.283 5.573 6.989 1.00 10.00 C ATOM 418 CG TYR A 27 -9.564 4.953 7.541 1.00 10.00 C ATOM 419 CD1 TYR A 27 -9.973 3.645 7.206 1.00 10.00 C ATOM 420 CD2 TYR A 27 -10.440 5.773 8.280 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.242 3.179 7.590 1.00 10.00 C ATOM 422 CE2 TYR A 27 -11.697 5.293 8.692 1.00 10.00 C ATOM 423 CZ TYR A 27 -12.094 3.987 8.364 1.00 10.00 C ATOM 424 OH TYR A 27 -13.314 3.513 8.752 1.00 10.00 O ATOM 0 H TYR A 27 -6.871 2.755 6.638 1.00 10.00 H new ATOM 0 HA TYR A 27 -7.992 4.104 5.451 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -7.694 5.926 7.836 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -8.564 6.451 6.408 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -9.308 2.999 6.652 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.144 6.780 8.533 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -11.565 2.194 7.289 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -12.357 5.930 9.261 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.021 4.033 8.316 1.00 10.00 H new ATOM 434 N LYS A 28 -5.241 5.847 5.473 1.00 10.00 N ATOM 435 CA LYS A 28 -4.397 6.561 4.521 1.00 10.00 C ATOM 436 C LYS A 28 -4.050 5.628 3.349 1.00 10.00 C ATOM 437 O LYS A 28 -4.185 4.410 3.486 1.00 10.00 O ATOM 438 CB LYS A 28 -3.165 7.173 5.202 1.00 10.00 C ATOM 439 CG LYS A 28 -3.453 7.942 6.499 1.00 10.00 C ATOM 440 CD LYS A 28 -4.708 8.820 6.413 1.00 10.00 C ATOM 441 CE LYS A 28 -4.786 9.893 7.510 1.00 10.00 C ATOM 442 NZ LYS A 28 -3.931 11.063 7.226 1.00 10.00 N ATOM 0 H LYS A 28 -4.788 5.600 6.353 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.945 7.411 4.114 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -2.456 6.375 5.421 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.678 7.848 4.498 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -3.570 7.231 7.317 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -2.595 8.569 6.741 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.734 9.307 5.438 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.591 8.184 6.476 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.820 10.221 7.618 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -4.490 9.455 8.463 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.418 11.931 7.529 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.034 10.971 7.744 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.738 11.112 6.205 1.00 10.00 H new ATOM 456 N VAL A 29 -3.621 6.193 2.211 1.00 10.00 N ATOM 457 CA VAL A 29 -3.310 5.463 0.979 1.00 10.00 C ATOM 458 C VAL A 29 -1.827 5.601 0.646 1.00 10.00 C ATOM 459 O VAL A 29 -1.252 6.684 0.759 1.00 10.00 O ATOM 460 CB VAL A 29 -4.160 5.946 -0.204 1.00 10.00 C ATOM 461 CG1 VAL A 29 -3.781 5.248 -1.511 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.632 5.630 0.015 1.00 10.00 C ATOM 0 H VAL A 29 -3.478 7.199 2.123 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.549 4.414 1.151 1.00 10.00 H new ATOM 0 HB VAL A 29 -3.978 7.019 -0.270 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.409 5.623 -2.319 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.735 5.450 -1.741 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -3.928 4.173 -1.405 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.211 5.983 -0.838 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -5.761 4.553 0.120 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -5.980 6.127 0.920 1.00 10.00 H new ATOM 472 N TYR A 30 -1.240 4.479 0.233 1.00 10.00 N ATOM 473 CA TYR A 30 0.181 4.189 0.236 1.00 10.00 C ATOM 474 C TYR A 30 0.533 3.579 -1.120 1.00 10.00 C ATOM 475 O TYR A 30 -0.017 2.526 -1.439 1.00 10.00 O ATOM 476 CB TYR A 30 0.378 3.153 1.351 1.00 10.00 C ATOM 477 CG TYR A 30 0.176 3.690 2.752 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.127 3.772 3.262 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.260 4.056 3.564 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.344 4.223 4.568 1.00 10.00 C ATOM 481 CE2 TYR A 30 1.037 4.457 4.896 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.266 4.503 5.410 1.00 10.00 C ATOM 483 OH TYR A 30 -0.486 4.700 6.740 1.00 10.00 O ATOM 0 H TYR A 30 -1.787 3.701 -0.136 1.00 10.00 H new ATOM 0 HA TYR A 30 0.805 5.068 0.400 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.315 2.328 1.189 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.385 2.743 1.275 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -1.966 3.486 2.645 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.265 4.030 3.168 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.354 4.356 4.928 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.873 4.730 5.523 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.293 4.216 7.013 1.00 10.00 H new ATOM 493 N ASP A 31 1.411 4.209 -1.911 1.00 10.00 N ATOM 494 CA ASP A 31 1.859 3.636 -3.185 1.00 10.00 C ATOM 495 C ASP A 31 3.194 2.947 -2.982 1.00 10.00 C ATOM 496 O ASP A 31 4.044 3.497 -2.283 1.00 10.00 O ATOM 497 CB ASP A 31 2.083 4.707 -4.248 1.00 10.00 C ATOM 498 CG ASP A 31 1.989 4.140 -5.659 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.329 2.947 -5.860 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.506 4.906 -6.523 1.00 10.00 O ATOM 0 H ASP A 31 1.824 5.115 -1.691 1.00 10.00 H new ATOM 0 HA ASP A 31 1.080 2.948 -3.514 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.344 5.499 -4.126 1.00 10.00 H new ATOM 0 HB3 ASP A 31 3.064 5.161 -4.104 1.00 10.00 H new ATOM 505 N LEU A 32 3.396 1.790 -3.611 1.00 10.00 N ATOM 506 CA LEU A 32 4.607 1.012 -3.429 1.00 10.00 C ATOM 507 C LEU A 32 5.393 0.745 -4.709 1.00 10.00 C ATOM 508 O LEU A 32 6.346 -0.021 -4.636 1.00 10.00 O ATOM 509 CB LEU A 32 4.261 -0.336 -2.795 1.00 10.00 C ATOM 510 CG LEU A 32 3.506 -0.253 -1.466 1.00 10.00 C ATOM 511 CD1 LEU A 32 3.427 -1.636 -0.832 1.00 10.00 C ATOM 512 CD2 LEU A 32 4.090 0.658 -0.392 1.00 10.00 C ATOM 0 H LEU A 32 2.725 1.373 -4.256 1.00 10.00 H new ATOM 0 HA LEU A 32 5.244 1.620 -2.787 1.00 10.00 H new ATOM 0 HB2 LEU A 32 3.660 -0.909 -3.501 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.184 -0.893 -2.637 1.00 10.00 H new ATOM 0 HG LEU A 32 2.546 0.171 -1.760 1.00 10.00 H new ATOM 0 HD11 LEU A 32 2.889 -1.572 0.114 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.901 -2.315 -1.504 1.00 10.00 H new ATOM 0 HD13 LEU A 32 4.434 -2.012 -0.652 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.459 0.624 0.496 1.00 10.00 H new ATOM 0 HD22 LEU A 32 5.095 0.321 -0.136 1.00 10.00 H new ATOM 0 HD23 LEU A 32 4.134 1.681 -0.767 1.00 10.00 H new ATOM 524 N THR A 33 5.027 1.321 -5.856 1.00 10.00 N ATOM 525 CA THR A 33 5.629 1.023 -7.170 1.00 10.00 C ATOM 526 C THR A 33 7.111 0.616 -7.145 1.00 10.00 C ATOM 527 O THR A 33 7.480 -0.405 -7.710 1.00 10.00 O ATOM 528 CB THR A 33 5.536 2.251 -8.091 1.00 10.00 C ATOM 529 OG1 THR A 33 6.181 3.367 -7.498 1.00 10.00 O ATOM 530 CG2 THR A 33 4.100 2.641 -8.405 1.00 10.00 C ATOM 0 H THR A 33 4.289 2.023 -5.905 1.00 10.00 H new ATOM 0 HA THR A 33 5.054 0.169 -7.527 1.00 10.00 H new ATOM 0 HB THR A 33 6.029 1.970 -9.022 1.00 10.00 H new ATOM 0 HG1 THR A 33 6.115 4.140 -8.097 1.00 10.00 H new ATOM 0 HG21 THR A 33 4.094 3.513 -9.058 1.00 10.00 H new ATOM 0 HG22 THR A 33 3.598 1.811 -8.903 1.00 10.00 H new ATOM 0 HG23 THR A 33 3.577 2.878 -7.479 1.00 10.00 H new ATOM 538 N LYS A 34 7.970 1.440 -6.545 1.00 10.00 N ATOM 539 CA LYS A 34 9.400 1.171 -6.422 1.00 10.00 C ATOM 540 C LYS A 34 9.644 0.029 -5.430 1.00 10.00 C ATOM 541 O LYS A 34 10.441 -0.878 -5.655 1.00 10.00 O ATOM 542 CB LYS A 34 10.105 2.436 -5.915 1.00 10.00 C ATOM 543 CG LYS A 34 9.952 3.632 -6.864 1.00 10.00 C ATOM 544 CD LYS A 34 10.521 4.882 -6.182 1.00 10.00 C ATOM 545 CE LYS A 34 10.341 6.119 -7.072 1.00 10.00 C ATOM 546 NZ LYS A 34 10.791 7.352 -6.394 1.00 10.00 N ATOM 0 H LYS A 34 7.687 2.325 -6.125 1.00 10.00 H new ATOM 0 HA LYS A 34 9.793 0.884 -7.397 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.703 2.702 -4.937 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.165 2.223 -5.776 1.00 10.00 H new ATOM 0 HG2 LYS A 34 10.477 3.441 -7.800 1.00 10.00 H new ATOM 0 HG3 LYS A 34 8.902 3.784 -7.113 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.020 5.040 -5.227 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.579 4.734 -5.967 1.00 10.00 H new ATOM 0 HE2 LYS A 34 10.903 5.987 -7.997 1.00 10.00 H new ATOM 0 HE3 LYS A 34 9.291 6.218 -7.348 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 10.654 8.166 -7.027 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 10.238 7.492 -5.525 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 11.799 7.267 -6.153 1.00 10.00 H new ATOM 560 N PHE A 35 8.953 0.101 -4.296 1.00 10.00 N ATOM 561 CA PHE A 35 9.136 -0.781 -3.161 1.00 10.00 C ATOM 562 C PHE A 35 8.741 -2.209 -3.513 1.00 10.00 C ATOM 563 O PHE A 35 9.262 -3.148 -2.928 1.00 10.00 O ATOM 564 CB PHE A 35 8.309 -0.259 -1.978 1.00 10.00 C ATOM 565 CG PHE A 35 8.749 -0.817 -0.650 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.022 -0.506 -0.137 1.00 10.00 C ATOM 567 CD2 PHE A 35 7.924 -1.729 0.025 1.00 10.00 C ATOM 568 CE1 PHE A 35 10.502 -1.174 1.000 1.00 10.00 C ATOM 569 CE2 PHE A 35 8.407 -2.393 1.158 1.00 10.00 C ATOM 570 CZ PHE A 35 9.716 -2.160 1.613 1.00 10.00 C ATOM 0 H PHE A 35 8.227 0.801 -4.143 1.00 10.00 H new ATOM 0 HA PHE A 35 10.190 -0.794 -2.883 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.377 0.828 -1.948 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.260 -0.508 -2.139 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.629 0.246 -0.618 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.921 -1.918 -0.328 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.474 -0.929 1.402 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.771 -3.088 1.685 1.00 10.00 H new ATOM 0 HZ PHE A 35 10.115 -2.739 2.433 1.00 10.00 H new ATOM 580 N LEU A 36 7.859 -2.371 -4.499 1.00 10.00 N ATOM 581 CA LEU A 36 7.633 -3.625 -5.200 1.00 10.00 C ATOM 582 C LEU A 36 8.935 -4.422 -5.385 1.00 10.00 C ATOM 583 O LEU A 36 8.960 -5.621 -5.110 1.00 10.00 O ATOM 584 CB LEU A 36 6.966 -3.304 -6.545 1.00 10.00 C ATOM 585 CG LEU A 36 5.549 -2.724 -6.476 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.888 -2.950 -7.840 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.692 -3.360 -5.379 1.00 10.00 C ATOM 0 H LEU A 36 7.269 -1.611 -4.838 1.00 10.00 H new ATOM 0 HA LEU A 36 6.978 -4.263 -4.607 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.600 -2.598 -7.082 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.934 -4.218 -7.138 1.00 10.00 H new ATOM 0 HG LEU A 36 5.624 -1.665 -6.230 1.00 10.00 H new ATOM 0 HD11 LEU A 36 3.875 -2.548 -7.825 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.467 -2.445 -8.613 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.851 -4.018 -8.054 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.701 -2.906 -5.382 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.601 -4.431 -5.563 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.162 -3.197 -4.409 1.00 10.00 H new ATOM 599 N GLU A 37 10.020 -3.759 -5.802 1.00 10.00 N ATOM 600 CA GLU A 37 11.332 -4.383 -5.911 1.00 10.00 C ATOM 601 C GLU A 37 11.943 -4.658 -4.532 1.00 10.00 C ATOM 602 O GLU A 37 12.360 -5.774 -4.235 1.00 10.00 O ATOM 603 CB GLU A 37 12.257 -3.462 -6.718 1.00 10.00 C ATOM 604 CG GLU A 37 11.872 -3.423 -8.203 1.00 10.00 C ATOM 605 CD GLU A 37 12.863 -2.588 -9.001 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.929 -3.148 -9.337 1.00 10.00 O ATOM 607 OE2 GLU A 37 12.548 -1.404 -9.247 1.00 10.00 O ATOM 0 H GLU A 37 10.007 -2.775 -6.072 1.00 10.00 H new ATOM 0 HA GLU A 37 11.218 -5.342 -6.417 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.215 -2.454 -6.306 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.287 -3.805 -6.619 1.00 10.00 H new ATOM 0 HG2 GLU A 37 11.842 -4.437 -8.601 1.00 10.00 H new ATOM 0 HG3 GLU A 37 10.870 -3.008 -8.312 1.00 10.00 H new ATOM 614 N GLU A 38 12.057 -3.606 -3.720 1.00 10.00 N ATOM 615 CA GLU A 38 12.810 -3.595 -2.468 1.00 10.00 C ATOM 616 C GLU A 38 12.271 -4.612 -1.452 1.00 10.00 C ATOM 617 O GLU A 38 13.027 -5.232 -0.705 1.00 10.00 O ATOM 618 CB GLU A 38 12.734 -2.171 -1.899 1.00 10.00 C ATOM 619 CG GLU A 38 13.805 -1.866 -0.844 1.00 10.00 C ATOM 620 CD GLU A 38 13.645 -0.460 -0.275 1.00 10.00 C ATOM 621 OE1 GLU A 38 13.216 0.427 -1.045 1.00 10.00 O ATOM 622 OE2 GLU A 38 13.924 -0.302 0.931 1.00 10.00 O ATOM 0 H GLU A 38 11.613 -2.710 -3.923 1.00 10.00 H new ATOM 0 HA GLU A 38 13.842 -3.885 -2.666 1.00 10.00 H new ATOM 0 HB2 GLU A 38 12.830 -1.458 -2.717 1.00 10.00 H new ATOM 0 HB3 GLU A 38 11.749 -2.019 -1.458 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.740 -2.596 -0.037 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.795 -1.969 -1.289 1.00 10.00 H new ATOM 629 N HIS A 39 10.946 -4.724 -1.385 1.00 10.00 N ATOM 630 CA HIS A 39 10.204 -5.421 -0.351 1.00 10.00 C ATOM 631 C HIS A 39 10.697 -6.860 -0.147 1.00 10.00 C ATOM 632 O HIS A 39 10.619 -7.651 -1.084 1.00 10.00 O ATOM 633 CB HIS A 39 8.723 -5.420 -0.752 1.00 10.00 C ATOM 634 CG HIS A 39 7.824 -6.042 0.283 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.730 -6.847 0.044 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.829 -5.728 1.615 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.074 -6.955 1.211 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.702 -6.293 2.204 1.00 10.00 N ATOM 0 H HIS A 39 10.336 -4.308 -2.088 1.00 10.00 H new ATOM 0 HA HIS A 39 10.354 -4.906 0.598 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.403 -4.393 -0.931 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.608 -5.958 -1.693 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.470 -7.276 -0.844 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.580 -5.141 2.123 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.154 -7.506 1.339 1.00 10.00 H new ATOM 646 N PRO A 40 11.106 -7.262 1.072 1.00 10.00 N ATOM 647 CA PRO A 40 11.382 -8.658 1.394 1.00 10.00 C ATOM 648 C PRO A 40 10.217 -9.592 1.041 1.00 10.00 C ATOM 649 O PRO A 40 10.434 -10.693 0.543 1.00 10.00 O ATOM 650 CB PRO A 40 11.706 -8.682 2.890 1.00 10.00 C ATOM 651 CG PRO A 40 12.292 -7.290 3.120 1.00 10.00 C ATOM 652 CD PRO A 40 11.420 -6.420 2.216 1.00 10.00 C ATOM 0 HA PRO A 40 12.215 -9.034 0.799 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.816 -8.854 3.496 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.418 -9.469 3.139 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.224 -6.987 4.165 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.345 -7.240 2.841 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.514 -6.100 2.731 1.00 10.00 H new ATOM 0 HD3 PRO A 40 11.948 -5.517 1.909 1.00 10.00 H new ATOM 660 N GLY A 41 8.976 -9.151 1.275 1.00 10.00 N ATOM 661 CA GLY A 41 7.787 -9.898 0.879 1.00 10.00 C ATOM 662 C GLY A 41 7.604 -9.978 -0.644 1.00 10.00 C ATOM 663 O GLY A 41 6.772 -10.748 -1.111 1.00 10.00 O ATOM 0 H GLY A 41 8.773 -8.268 1.743 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.848 -10.908 1.285 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.907 -9.429 1.320 1.00 10.00 H new ATOM 667 N GLY A 42 8.335 -9.173 -1.424 1.00 10.00 N ATOM 668 CA GLY A 42 8.219 -9.121 -2.875 1.00 10.00 C ATOM 669 C GLY A 42 6.979 -8.362 -3.328 1.00 10.00 C ATOM 670 O GLY A 42 6.157 -7.932 -2.516 1.00 10.00 O ATOM 0 H GLY A 42 9.034 -8.530 -1.052 1.00 10.00 H new ATOM 0 HA2 GLY A 42 9.106 -8.645 -3.292 1.00 10.00 H new ATOM 0 HA3 GLY A 42 8.186 -10.136 -3.271 1.00 10.00 H new ATOM 674 N GLU A 43 6.874 -8.181 -4.643 1.00 10.00 N ATOM 675 CA GLU A 43 5.806 -7.443 -5.289 1.00 10.00 C ATOM 676 C GLU A 43 4.486 -8.211 -5.220 1.00 10.00 C ATOM 677 O GLU A 43 3.454 -7.632 -4.888 1.00 10.00 O ATOM 678 CB GLU A 43 6.245 -7.114 -6.724 1.00 10.00 C ATOM 679 CG GLU A 43 5.080 -6.796 -7.667 1.00 10.00 C ATOM 680 CD GLU A 43 5.541 -6.370 -9.057 1.00 10.00 C ATOM 681 OE1 GLU A 43 6.679 -5.876 -9.169 1.00 10.00 O ATOM 682 OE2 GLU A 43 4.727 -6.549 -9.991 1.00 10.00 O ATOM 0 H GLU A 43 7.554 -8.558 -5.303 1.00 10.00 H new ATOM 0 HA GLU A 43 5.619 -6.505 -4.767 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.925 -6.262 -6.700 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.806 -7.958 -7.125 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.440 -7.674 -7.755 1.00 10.00 H new ATOM 0 HG3 GLU A 43 4.473 -6.002 -7.232 1.00 10.00 H new ATOM 689 N GLU A 44 4.513 -9.505 -5.549 1.00 10.00 N ATOM 690 CA GLU A 44 3.319 -10.322 -5.720 1.00 10.00 C ATOM 691 C GLU A 44 2.314 -10.104 -4.585 1.00 10.00 C ATOM 692 O GLU A 44 1.164 -9.749 -4.834 1.00 10.00 O ATOM 693 CB GLU A 44 3.712 -11.799 -5.858 1.00 10.00 C ATOM 694 CG GLU A 44 4.631 -12.028 -7.066 1.00 10.00 C ATOM 695 CD GLU A 44 4.861 -13.515 -7.303 1.00 10.00 C ATOM 696 OE1 GLU A 44 5.325 -14.170 -6.345 1.00 10.00 O ATOM 697 OE2 GLU A 44 4.562 -13.967 -8.429 1.00 10.00 O ATOM 0 H GLU A 44 5.381 -10.018 -5.705 1.00 10.00 H new ATOM 0 HA GLU A 44 2.818 -10.012 -6.637 1.00 10.00 H new ATOM 0 HB2 GLU A 44 4.216 -12.129 -4.949 1.00 10.00 H new ATOM 0 HB3 GLU A 44 2.813 -12.407 -5.963 1.00 10.00 H new ATOM 0 HG2 GLU A 44 4.188 -11.579 -7.955 1.00 10.00 H new ATOM 0 HG3 GLU A 44 5.587 -11.531 -6.900 1.00 10.00 H new ATOM 704 N VAL A 45 2.763 -10.255 -3.337 1.00 10.00 N ATOM 705 CA VAL A 45 1.920 -10.072 -2.158 1.00 10.00 C ATOM 706 C VAL A 45 1.321 -8.664 -2.138 1.00 10.00 C ATOM 707 O VAL A 45 0.141 -8.468 -1.853 1.00 10.00 O ATOM 708 CB VAL A 45 2.705 -10.389 -0.863 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.605 -11.619 -1.019 1.00 10.00 C ATOM 710 CG2 VAL A 45 3.620 -9.259 -0.373 1.00 10.00 C ATOM 0 H VAL A 45 3.726 -10.509 -3.117 1.00 10.00 H new ATOM 0 HA VAL A 45 1.091 -10.778 -2.209 1.00 10.00 H new ATOM 0 HB VAL A 45 1.910 -10.552 -0.135 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.136 -11.802 -0.085 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.995 -12.488 -1.266 1.00 10.00 H new ATOM 0 HG13 VAL A 45 4.326 -11.443 -1.817 1.00 10.00 H new ATOM 0 HG21 VAL A 45 4.128 -9.572 0.539 1.00 10.00 H new ATOM 0 HG22 VAL A 45 4.359 -9.031 -1.141 1.00 10.00 H new ATOM 0 HG23 VAL A 45 3.023 -8.370 -0.169 1.00 10.00 H new ATOM 720 N LEU A 46 2.135 -7.662 -2.467 1.00 10.00 N ATOM 721 CA LEU A 46 1.689 -6.287 -2.461 1.00 10.00 C ATOM 722 C LEU A 46 0.621 -6.111 -3.533 1.00 10.00 C ATOM 723 O LEU A 46 -0.375 -5.453 -3.272 1.00 10.00 O ATOM 724 CB LEU A 46 2.870 -5.328 -2.650 1.00 10.00 C ATOM 725 CG LEU A 46 3.947 -5.476 -1.561 1.00 10.00 C ATOM 726 CD1 LEU A 46 5.150 -4.595 -1.913 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.412 -5.133 -0.166 1.00 10.00 C ATOM 0 H LEU A 46 3.110 -7.787 -2.741 1.00 10.00 H new ATOM 0 HA LEU A 46 1.249 -6.043 -1.494 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.322 -5.505 -3.626 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.501 -4.302 -2.651 1.00 10.00 H new ATOM 0 HG LEU A 46 4.255 -6.521 -1.529 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.914 -4.698 -1.143 1.00 10.00 H new ATOM 0 HD12 LEU A 46 5.559 -4.905 -2.874 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.833 -3.554 -1.973 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.208 -5.252 0.569 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.060 -4.102 -0.155 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.587 -5.801 0.082 1.00 10.00 H new ATOM 739 N ARG A 47 0.788 -6.719 -4.711 1.00 10.00 N ATOM 740 CA ARG A 47 -0.185 -6.595 -5.790 1.00 10.00 C ATOM 741 C ARG A 47 -1.480 -7.318 -5.425 1.00 10.00 C ATOM 742 O ARG A 47 -2.567 -6.798 -5.657 1.00 10.00 O ATOM 743 CB ARG A 47 0.398 -7.086 -7.123 1.00 10.00 C ATOM 744 CG ARG A 47 1.123 -5.933 -7.827 1.00 10.00 C ATOM 745 CD ARG A 47 1.879 -6.397 -9.074 1.00 10.00 C ATOM 746 NE ARG A 47 1.010 -6.958 -10.120 1.00 10.00 N ATOM 747 CZ ARG A 47 1.481 -7.447 -11.281 1.00 10.00 C ATOM 748 NH1 ARG A 47 2.789 -7.425 -11.551 1.00 10.00 N ATOM 749 NH2 ARG A 47 0.637 -7.973 -12.173 1.00 10.00 N ATOM 0 H ARG A 47 1.593 -7.303 -4.938 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.424 -5.540 -5.923 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.090 -7.910 -6.947 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.399 -7.470 -7.760 1.00 10.00 H new ATOM 0 HG2 ARG A 47 0.398 -5.169 -8.108 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.823 -5.469 -7.132 1.00 10.00 H new ATOM 0 HD2 ARG A 47 2.432 -5.553 -9.488 1.00 10.00 H new ATOM 0 HD3 ARG A 47 2.614 -7.148 -8.784 1.00 10.00 H new ATOM 0 HE ARG A 47 0.003 -6.977 -9.957 1.00 10.00 H new ATOM 0 HH11 ARG A 47 3.443 -7.034 -10.873 1.00 10.00 H new ATOM 0 HH12 ARG A 47 3.134 -7.799 -12.435 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -0.363 -8.003 -11.973 1.00 10.00 H new ATOM 0 HH22 ARG A 47 0.992 -8.344 -13.054 1.00 10.00 H new ATOM 763 N GLU A 48 -1.352 -8.505 -4.843 1.00 10.00 N ATOM 764 CA GLU A 48 -2.458 -9.314 -4.362 1.00 10.00 C ATOM 765 C GLU A 48 -3.300 -8.525 -3.345 1.00 10.00 C ATOM 766 O GLU A 48 -4.526 -8.497 -3.433 1.00 10.00 O ATOM 767 CB GLU A 48 -1.843 -10.585 -3.763 1.00 10.00 C ATOM 768 CG GLU A 48 -2.879 -11.624 -3.300 1.00 10.00 C ATOM 769 CD GLU A 48 -3.512 -12.424 -4.437 1.00 10.00 C ATOM 770 OE1 GLU A 48 -3.130 -12.193 -5.604 1.00 10.00 O ATOM 771 OE2 GLU A 48 -4.369 -13.270 -4.105 1.00 10.00 O ATOM 0 H GLU A 48 -0.443 -8.942 -4.689 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.144 -9.583 -5.165 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -1.190 -11.044 -4.505 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -1.217 -10.308 -2.915 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -2.399 -12.315 -2.607 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -3.667 -11.113 -2.747 1.00 10.00 H new ATOM 778 N GLN A 49 -2.647 -7.889 -2.366 1.00 10.00 N ATOM 779 CA GLN A 49 -3.322 -7.153 -1.300 1.00 10.00 C ATOM 780 C GLN A 49 -3.762 -5.758 -1.746 1.00 10.00 C ATOM 781 O GLN A 49 -4.710 -5.197 -1.201 1.00 10.00 O ATOM 782 CB GLN A 49 -2.380 -7.055 -0.097 1.00 10.00 C ATOM 783 CG GLN A 49 -2.499 -8.261 0.837 1.00 10.00 C ATOM 784 CD GLN A 49 -2.322 -9.623 0.162 1.00 10.00 C ATOM 785 OE1 GLN A 49 -1.219 -10.149 0.061 1.00 10.00 O ATOM 786 NE2 GLN A 49 -3.415 -10.232 -0.281 1.00 10.00 N ATOM 0 H GLN A 49 -1.630 -7.872 -2.294 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.228 -7.695 -1.030 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.352 -6.972 -0.450 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.600 -6.144 0.460 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -1.754 -8.164 1.627 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.477 -8.235 1.317 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.324 -9.779 -0.188 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -3.346 -11.153 -0.714 1.00 10.00 H new ATOM 795 N ALA A 50 -3.018 -5.172 -2.681 1.00 10.00 N ATOM 796 CA ALA A 50 -3.251 -3.828 -3.185 1.00 10.00 C ATOM 797 C ALA A 50 -4.647 -3.635 -3.780 1.00 10.00 C ATOM 798 O ALA A 50 -5.398 -4.575 -4.021 1.00 10.00 O ATOM 799 CB ALA A 50 -2.168 -3.448 -4.194 1.00 10.00 C ATOM 0 H ALA A 50 -2.219 -5.632 -3.117 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.198 -3.157 -2.327 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -2.353 -2.440 -4.564 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -1.192 -3.483 -3.711 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -2.185 -4.150 -5.028 1.00 10.00 H new ATOM 805 N GLY A 51 -4.975 -2.366 -4.011 1.00 10.00 N ATOM 806 CA GLY A 51 -6.291 -1.902 -4.386 1.00 10.00 C ATOM 807 C GLY A 51 -7.308 -2.174 -3.302 1.00 10.00 C ATOM 808 O GLY A 51 -8.471 -2.459 -3.562 1.00 10.00 O ATOM 0 H GLY A 51 -4.296 -1.608 -3.937 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.255 -0.832 -4.591 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.601 -2.393 -5.308 1.00 10.00 H new ATOM 812 N GLY A 52 -6.874 -1.946 -2.063 1.00 10.00 N ATOM 813 CA GLY A 52 -7.766 -1.838 -0.952 1.00 10.00 C ATOM 814 C GLY A 52 -6.956 -1.955 0.322 1.00 10.00 C ATOM 815 O GLY A 52 -5.785 -1.578 0.393 1.00 10.00 O ATOM 0 H GLY A 52 -5.890 -1.834 -1.820 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.294 -0.885 -0.980 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -8.522 -2.622 -0.995 1.00 10.00 H new ATOM 819 N ASP A 53 -7.646 -2.473 1.321 1.00 10.00 N ATOM 820 CA ASP A 53 -7.206 -2.538 2.703 1.00 10.00 C ATOM 821 C ASP A 53 -6.175 -3.643 2.905 1.00 10.00 C ATOM 822 O ASP A 53 -6.492 -4.823 2.767 1.00 10.00 O ATOM 823 CB ASP A 53 -8.411 -2.685 3.640 1.00 10.00 C ATOM 824 CG ASP A 53 -8.027 -2.464 5.098 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.813 -2.334 5.368 1.00 10.00 O ATOM 826 OD2 ASP A 53 -8.955 -2.386 5.927 1.00 10.00 O ATOM 0 H ASP A 53 -8.572 -2.879 1.185 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.708 -1.602 2.955 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -9.182 -1.969 3.355 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.841 -3.680 3.525 1.00 10.00 H new ATOM 831 N ALA A 54 -4.942 -3.255 3.241 1.00 10.00 N ATOM 832 CA ALA A 54 -3.907 -4.175 3.680 1.00 10.00 C ATOM 833 C ALA A 54 -3.466 -3.825 5.104 1.00 10.00 C ATOM 834 O ALA A 54 -2.376 -4.217 5.516 1.00 10.00 O ATOM 835 CB ALA A 54 -2.749 -4.123 2.681 1.00 10.00 C ATOM 0 H ALA A 54 -4.638 -2.282 3.213 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.286 -5.197 3.709 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.964 -4.809 2.998 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -3.107 -4.413 1.693 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.350 -3.110 2.639 1.00 10.00 H new ATOM 841 N THR A 55 -4.296 -3.107 5.869 1.00 10.00 N ATOM 842 CA THR A 55 -3.978 -2.706 7.230 1.00 10.00 C ATOM 843 C THR A 55 -3.807 -3.953 8.097 1.00 10.00 C ATOM 844 O THR A 55 -2.756 -4.140 8.708 1.00 10.00 O ATOM 845 CB THR A 55 -5.063 -1.774 7.806 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.405 -0.749 6.898 1.00 10.00 O ATOM 847 CG2 THR A 55 -4.548 -1.107 9.082 1.00 10.00 C ATOM 0 H THR A 55 -5.212 -2.789 5.552 1.00 10.00 H new ATOM 0 HA THR A 55 -3.044 -2.144 7.224 1.00 10.00 H new ATOM 0 HB THR A 55 -5.941 -2.388 8.007 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.113 -1.065 6.299 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.318 -0.449 9.485 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.302 -1.872 9.819 1.00 10.00 H new ATOM 0 HG23 THR A 55 -3.656 -0.524 8.853 1.00 10.00 H new ATOM 855 N GLU A 56 -4.829 -4.817 8.120 1.00 10.00 N ATOM 856 CA GLU A 56 -4.799 -6.073 8.833 1.00 10.00 C ATOM 857 C GLU A 56 -3.578 -6.843 8.363 1.00 10.00 C ATOM 858 O GLU A 56 -2.725 -7.176 9.164 1.00 10.00 O ATOM 859 CB GLU A 56 -6.085 -6.866 8.573 1.00 10.00 C ATOM 860 CG GLU A 56 -7.342 -6.103 9.014 1.00 10.00 C ATOM 861 CD GLU A 56 -8.580 -6.990 8.926 1.00 10.00 C ATOM 862 OE1 GLU A 56 -8.644 -7.777 7.956 1.00 10.00 O ATOM 863 OE2 GLU A 56 -9.428 -6.874 9.835 1.00 10.00 O ATOM 0 H GLU A 56 -5.708 -4.648 7.632 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.738 -5.902 9.908 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.158 -7.097 7.510 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -6.036 -7.817 9.103 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -7.216 -5.749 10.037 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.476 -5.222 8.386 1.00 10.00 H new ATOM 870 N ASN A 57 -3.469 -7.071 7.055 1.00 10.00 N ATOM 871 CA ASN A 57 -2.387 -7.849 6.463 1.00 10.00 C ATOM 872 C ASN A 57 -1.005 -7.359 6.929 1.00 10.00 C ATOM 873 O ASN A 57 -0.145 -8.152 7.311 1.00 10.00 O ATOM 874 CB ASN A 57 -2.546 -7.835 4.932 1.00 10.00 C ATOM 875 CG ASN A 57 -2.468 -9.245 4.357 1.00 10.00 C ATOM 876 OD1 ASN A 57 -1.502 -9.616 3.708 1.00 10.00 O ATOM 877 ND2 ASN A 57 -3.511 -10.042 4.567 1.00 10.00 N ATOM 0 H ASN A 57 -4.137 -6.716 6.371 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.451 -8.882 6.806 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.502 -7.384 4.667 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.767 -7.215 4.488 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -3.516 -10.987 4.183 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -4.306 -9.709 5.113 1.00 10.00 H new ATOM 884 N PHE A 58 -0.804 -6.039 6.926 1.00 10.00 N ATOM 885 CA PHE A 58 0.414 -5.392 7.396 1.00 10.00 C ATOM 886 C PHE A 58 0.675 -5.705 8.878 1.00 10.00 C ATOM 887 O PHE A 58 1.773 -6.149 9.220 1.00 10.00 O ATOM 888 CB PHE A 58 0.303 -3.882 7.128 1.00 10.00 C ATOM 889 CG PHE A 58 1.536 -3.041 7.415 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.719 -3.263 6.684 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.428 -1.892 8.223 1.00 10.00 C ATOM 892 CE1 PHE A 58 3.793 -2.362 6.782 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.486 -0.966 8.279 1.00 10.00 C ATOM 894 CZ PHE A 58 3.675 -1.208 7.573 1.00 10.00 C ATOM 0 H PHE A 58 -1.503 -5.378 6.588 1.00 10.00 H new ATOM 0 HA PHE A 58 1.274 -5.782 6.852 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.033 -3.742 6.081 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.521 -3.491 7.725 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.801 -4.130 6.045 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.531 -1.722 8.801 1.00 10.00 H new ATOM 0 HE1 PHE A 58 4.711 -2.558 6.248 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.383 -0.066 8.867 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.496 -0.509 7.638 1.00 10.00 H new ATOM 904 N GLU A 59 -0.318 -5.479 9.747 1.00 10.00 N ATOM 905 CA GLU A 59 -0.206 -5.727 11.182 1.00 10.00 C ATOM 906 C GLU A 59 0.066 -7.207 11.448 1.00 10.00 C ATOM 907 O GLU A 59 1.103 -7.566 11.996 1.00 10.00 O ATOM 908 CB GLU A 59 -1.506 -5.297 11.888 1.00 10.00 C ATOM 909 CG GLU A 59 -1.700 -3.779 11.934 1.00 10.00 C ATOM 910 CD GLU A 59 -0.808 -3.133 12.980 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.395 -2.975 12.673 1.00 10.00 O ATOM 912 OE2 GLU A 59 -1.343 -2.719 14.026 1.00 10.00 O ATOM 0 H GLU A 59 -1.229 -5.115 9.467 1.00 10.00 H new ATOM 0 HA GLU A 59 0.627 -5.144 11.575 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -2.355 -5.749 11.376 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -1.504 -5.686 12.906 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -1.480 -3.354 10.955 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -2.743 -3.551 12.154 1.00 10.00 H new ATOM 919 N ASP A 60 -0.897 -8.036 11.049 1.00 10.00 N ATOM 920 CA ASP A 60 -0.936 -9.488 11.064 1.00 10.00 C ATOM 921 C ASP A 60 0.454 -10.101 10.886 1.00 10.00 C ATOM 922 O ASP A 60 0.937 -10.834 11.748 1.00 10.00 O ATOM 923 CB ASP A 60 -1.883 -9.934 9.938 1.00 10.00 C ATOM 924 CG ASP A 60 -1.937 -11.449 9.841 1.00 10.00 C ATOM 925 OD1 ASP A 60 -2.793 -12.040 10.530 1.00 10.00 O ATOM 926 OD2 ASP A 60 -1.107 -11.982 9.071 1.00 10.00 O ATOM 0 H ASP A 60 -1.763 -7.658 10.665 1.00 10.00 H new ATOM 0 HA ASP A 60 -1.296 -9.836 12.032 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.883 -9.542 10.122 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -1.547 -9.517 8.989 1.00 10.00 H new ATOM 931 N HIS A 61 1.103 -9.777 9.766 1.00 10.00 N ATOM 932 CA HIS A 61 2.402 -10.337 9.420 1.00 10.00 C ATOM 933 C HIS A 61 3.521 -9.857 10.351 1.00 10.00 C ATOM 934 O HIS A 61 4.531 -10.544 10.492 1.00 10.00 O ATOM 935 CB HIS A 61 2.726 -9.971 7.974 1.00 10.00 C ATOM 936 CG HIS A 61 1.805 -10.591 6.952 1.00 10.00 C ATOM 937 ND1 HIS A 61 0.598 -11.225 7.160 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.054 -10.623 5.613 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.138 -11.615 5.959 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.000 -11.284 4.982 1.00 10.00 N ATOM 0 H HIS A 61 0.739 -9.119 9.077 1.00 10.00 H new ATOM 0 HA HIS A 61 2.344 -11.419 9.538 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.688 -8.887 7.869 1.00 10.00 H new ATOM 0 HB3 HIS A 61 3.749 -10.276 7.755 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.139 -11.371 8.059 1.00 10.00 H new ATOM 0 HD2 HIS A 61 2.921 -10.207 5.123 1.00 10.00 H new ATOM 0 HE1 HIS A 61 -0.800 -12.126 5.800 1.00 10.00 H new ATOM 948 N GLY A 62 3.367 -8.678 10.957 1.00 10.00 N ATOM 949 CA GLY A 62 4.407 -8.025 11.730 1.00 10.00 C ATOM 950 C GLY A 62 5.269 -7.181 10.795 1.00 10.00 C ATOM 951 O GLY A 62 5.809 -7.696 9.818 1.00 10.00 O ATOM 0 H GLY A 62 2.497 -8.147 10.919 1.00 10.00 H new ATOM 0 HA2 GLY A 62 3.963 -7.396 12.502 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.021 -8.769 12.238 1.00 10.00 H new ATOM 955 N HIS A 63 5.385 -5.882 11.084 1.00 10.00 N ATOM 956 CA HIS A 63 6.160 -4.939 10.293 1.00 10.00 C ATOM 957 C HIS A 63 6.764 -3.889 11.218 1.00 10.00 C ATOM 958 O HIS A 63 6.081 -3.398 12.120 1.00 10.00 O ATOM 959 CB HIS A 63 5.263 -4.296 9.235 1.00 10.00 C ATOM 960 CG HIS A 63 5.135 -5.149 8.004 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.144 -6.062 7.727 1.00 10.00 N ATOM 962 CD2 HIS A 63 5.963 -5.088 6.921 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.357 -6.513 6.477 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.450 -5.936 5.938 1.00 10.00 N ATOM 0 H HIS A 63 4.932 -5.454 11.891 1.00 10.00 H new ATOM 0 HA HIS A 63 6.970 -5.456 9.779 1.00 10.00 H new ATOM 0 HB2 HIS A 63 4.274 -4.121 9.658 1.00 10.00 H new ATOM 0 HB3 HIS A 63 5.669 -3.323 8.960 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.389 -6.344 8.352 1.00 10.00 H new ATOM 0 HD2 HIS A 63 6.858 -4.489 6.839 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.736 -7.239 5.973 1.00 10.00 H new ATOM 972 N SER A 64 8.049 -3.584 11.020 1.00 10.00 N ATOM 973 CA SER A 64 8.838 -2.811 11.963 1.00 10.00 C ATOM 974 C SER A 64 8.473 -1.324 11.953 1.00 10.00 C ATOM 975 O SER A 64 7.799 -0.819 11.051 1.00 10.00 O ATOM 976 CB SER A 64 10.337 -3.013 11.688 1.00 10.00 C ATOM 977 OG SER A 64 11.081 -2.510 12.784 1.00 10.00 O ATOM 0 H SER A 64 8.569 -3.872 10.191 1.00 10.00 H new ATOM 0 HA SER A 64 8.606 -3.179 12.962 1.00 10.00 H new ATOM 0 HB2 SER A 64 10.553 -4.071 11.541 1.00 10.00 H new ATOM 0 HB3 SER A 64 10.624 -2.498 10.771 1.00 10.00 H new ATOM 0 HG SER A 64 11.817 -1.955 12.452 1.00 10.00 H new ATOM 983 N THR A 65 9.001 -0.612 12.949 1.00 10.00 N ATOM 984 CA THR A 65 9.038 0.840 13.050 1.00 10.00 C ATOM 985 C THR A 65 9.488 1.458 11.732 1.00 10.00 C ATOM 986 O THR A 65 8.950 2.457 11.266 1.00 10.00 O ATOM 987 CB THR A 65 10.054 1.177 14.156 1.00 10.00 C ATOM 988 OG1 THR A 65 11.070 0.182 14.232 1.00 10.00 O ATOM 989 CG2 THR A 65 9.349 1.196 15.515 1.00 10.00 C ATOM 0 H THR A 65 9.439 -1.064 13.752 1.00 10.00 H new ATOM 0 HA THR A 65 8.049 1.236 13.280 1.00 10.00 H new ATOM 0 HB THR A 65 10.490 2.147 13.918 1.00 10.00 H new ATOM 0 HG1 THR A 65 11.561 0.151 13.385 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.071 1.435 16.296 1.00 10.00 H new ATOM 0 HG22 THR A 65 8.562 1.950 15.506 1.00 10.00 H new ATOM 0 HG23 THR A 65 8.912 0.217 15.712 1.00 10.00 H new ATOM 997 N ASP A 66 10.496 0.837 11.144 1.00 10.00 N ATOM 998 CA ASP A 66 11.205 1.248 9.957 1.00 10.00 C ATOM 999 C ASP A 66 10.235 1.218 8.778 1.00 10.00 C ATOM 1000 O ASP A 66 10.075 2.201 8.058 1.00 10.00 O ATOM 1001 CB ASP A 66 12.394 0.283 9.779 1.00 10.00 C ATOM 1002 CG ASP A 66 13.180 0.068 11.076 1.00 10.00 C ATOM 1003 OD1 ASP A 66 12.550 -0.447 12.037 1.00 10.00 O ATOM 1004 OD2 ASP A 66 14.370 0.439 11.097 1.00 10.00 O ATOM 0 H ASP A 66 10.865 -0.037 11.519 1.00 10.00 H new ATOM 0 HA ASP A 66 11.593 2.264 10.028 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.026 -0.678 9.418 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.064 0.675 9.014 1.00 10.00 H new ATOM 1009 N ALA A 67 9.534 0.092 8.627 1.00 10.00 N ATOM 1010 CA ALA A 67 8.516 -0.129 7.622 1.00 10.00 C ATOM 1011 C ALA A 67 7.378 0.867 7.830 1.00 10.00 C ATOM 1012 O ALA A 67 6.823 1.400 6.872 1.00 10.00 O ATOM 1013 CB ALA A 67 8.010 -1.573 7.701 1.00 10.00 C ATOM 0 H ALA A 67 9.673 -0.718 9.231 1.00 10.00 H new ATOM 0 HA ALA A 67 8.936 0.026 6.628 1.00 10.00 H new ATOM 0 HB1 ALA A 67 7.244 -1.732 6.942 1.00 10.00 H new ATOM 0 HB2 ALA A 67 8.839 -2.259 7.529 1.00 10.00 H new ATOM 0 HB3 ALA A 67 7.586 -1.756 8.688 1.00 10.00 H new ATOM 1019 N ARG A 68 7.043 1.125 9.095 1.00 10.00 N ATOM 1020 CA ARG A 68 6.131 2.184 9.493 1.00 10.00 C ATOM 1021 C ARG A 68 6.578 3.528 8.900 1.00 10.00 C ATOM 1022 O ARG A 68 5.846 4.146 8.128 1.00 10.00 O ATOM 1023 CB ARG A 68 6.042 2.225 11.031 1.00 10.00 C ATOM 1024 CG ARG A 68 4.601 2.070 11.517 1.00 10.00 C ATOM 1025 CD ARG A 68 4.203 0.590 11.487 1.00 10.00 C ATOM 1026 NE ARG A 68 2.745 0.450 11.391 1.00 10.00 N ATOM 1027 CZ ARG A 68 2.048 -0.660 11.671 1.00 10.00 C ATOM 1028 NH1 ARG A 68 2.642 -1.770 12.115 1.00 10.00 N ATOM 1029 NH2 ARG A 68 0.728 -0.675 11.510 1.00 10.00 N ATOM 0 H ARG A 68 7.408 0.590 9.883 1.00 10.00 H new ATOM 0 HA ARG A 68 5.134 1.983 9.102 1.00 10.00 H new ATOM 0 HB2 ARG A 68 6.656 1.429 11.453 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.449 3.168 11.394 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.504 2.462 12.529 1.00 10.00 H new ATOM 0 HG3 ARG A 68 3.929 2.650 10.885 1.00 10.00 H new ATOM 0 HD2 ARG A 68 4.678 0.097 10.639 1.00 10.00 H new ATOM 0 HD3 ARG A 68 4.563 0.092 12.387 1.00 10.00 H new ATOM 0 HE ARG A 68 2.217 1.267 11.085 1.00 10.00 H new ATOM 0 HH11 ARG A 68 3.653 -1.789 12.250 1.00 10.00 H new ATOM 0 HH12 ARG A 68 2.085 -2.600 12.320 1.00 10.00 H new ATOM 0 HH21 ARG A 68 0.246 0.158 11.173 1.00 10.00 H new ATOM 0 HH22 ARG A 68 0.198 -1.520 11.723 1.00 10.00 H new ATOM 1043 N GLU A 69 7.782 3.985 9.245 1.00 10.00 N ATOM 1044 CA GLU A 69 8.332 5.252 8.780 1.00 10.00 C ATOM 1045 C GLU A 69 8.272 5.312 7.249 1.00 10.00 C ATOM 1046 O GLU A 69 7.735 6.257 6.662 1.00 10.00 O ATOM 1047 CB GLU A 69 9.754 5.424 9.347 1.00 10.00 C ATOM 1048 CG GLU A 69 10.088 6.886 9.678 1.00 10.00 C ATOM 1049 CD GLU A 69 9.186 7.459 10.764 1.00 10.00 C ATOM 1050 OE1 GLU A 69 8.772 6.711 11.679 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.777 8.635 10.641 1.00 10.00 O ATOM 0 H GLU A 69 8.410 3.475 9.866 1.00 10.00 H new ATOM 0 HA GLU A 69 7.740 6.092 9.144 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.857 4.819 10.248 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.477 5.045 8.625 1.00 10.00 H new ATOM 0 HG2 GLU A 69 11.127 6.954 10.000 1.00 10.00 H new ATOM 0 HG3 GLU A 69 9.994 7.490 8.776 1.00 10.00 H new ATOM 1058 N LEU A 70 8.745 4.243 6.608 1.00 10.00 N ATOM 1059 CA LEU A 70 8.640 4.066 5.170 1.00 10.00 C ATOM 1060 C LEU A 70 7.214 4.309 4.674 1.00 10.00 C ATOM 1061 O LEU A 70 6.992 5.075 3.738 1.00 10.00 O ATOM 1062 CB LEU A 70 9.128 2.658 4.771 1.00 10.00 C ATOM 1063 CG LEU A 70 10.563 2.592 4.223 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.880 3.756 3.277 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.597 2.534 5.349 1.00 10.00 C ATOM 0 H LEU A 70 9.215 3.472 7.082 1.00 10.00 H new ATOM 0 HA LEU A 70 9.279 4.808 4.692 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.059 2.007 5.642 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.450 2.256 4.018 1.00 10.00 H new ATOM 0 HG LEU A 70 10.624 1.668 3.648 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.905 3.664 2.917 1.00 10.00 H new ATOM 0 HD12 LEU A 70 10.195 3.733 2.430 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.766 4.700 3.810 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.599 2.488 4.921 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.508 3.425 5.971 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.422 1.647 5.958 1.00 10.00 H new ATOM 1077 N SER A 71 6.227 3.689 5.319 1.00 10.00 N ATOM 1078 CA SER A 71 4.850 3.826 4.893 1.00 10.00 C ATOM 1079 C SER A 71 4.425 5.295 4.949 1.00 10.00 C ATOM 1080 O SER A 71 3.719 5.753 4.056 1.00 10.00 O ATOM 1081 CB SER A 71 3.949 2.834 5.652 1.00 10.00 C ATOM 1082 OG SER A 71 3.556 3.303 6.924 1.00 10.00 O ATOM 0 H SER A 71 6.362 3.091 6.134 1.00 10.00 H new ATOM 0 HA SER A 71 4.738 3.545 3.846 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.059 2.631 5.056 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.478 1.888 5.768 1.00 10.00 H new ATOM 0 HG SER A 71 4.352 3.487 7.465 1.00 10.00 H new ATOM 1088 N LYS A 72 4.920 6.069 5.923 1.00 10.00 N ATOM 1089 CA LYS A 72 4.596 7.490 5.978 1.00 10.00 C ATOM 1090 C LYS A 72 5.041 8.146 4.679 1.00 10.00 C ATOM 1091 O LYS A 72 4.247 8.781 3.991 1.00 10.00 O ATOM 1092 CB LYS A 72 5.258 8.197 7.167 1.00 10.00 C ATOM 1093 CG LYS A 72 5.024 7.454 8.479 1.00 10.00 C ATOM 1094 CD LYS A 72 5.615 8.267 9.635 1.00 10.00 C ATOM 1095 CE LYS A 72 5.649 7.463 10.943 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.603 8.045 11.910 1.00 10.00 N ATOM 0 H LYS A 72 5.534 5.739 6.668 1.00 10.00 H new ATOM 0 HA LYS A 72 3.518 7.584 6.110 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.329 8.284 6.986 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.866 9.211 7.250 1.00 10.00 H new ATOM 0 HG2 LYS A 72 3.957 7.299 8.637 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.487 6.468 8.439 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.626 8.583 9.377 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.025 9.172 9.781 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.652 7.439 11.383 1.00 10.00 H new ATOM 0 HE3 LYS A 72 5.928 6.431 10.730 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.262 7.308 12.234 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.137 8.811 11.452 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.082 8.426 12.725 1.00 10.00 H new ATOM 1110 N THR A 73 6.313 7.956 4.328 1.00 10.00 N ATOM 1111 CA THR A 73 6.834 8.568 3.109 1.00 10.00 C ATOM 1112 C THR A 73 6.197 7.987 1.840 1.00 10.00 C ATOM 1113 O THR A 73 6.274 8.626 0.793 1.00 10.00 O ATOM 1114 CB THR A 73 8.372 8.620 3.056 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.750 9.630 2.142 1.00 10.00 O ATOM 1116 CG2 THR A 73 9.058 7.327 2.619 1.00 10.00 C ATOM 0 H THR A 73 6.985 7.398 4.855 1.00 10.00 H new ATOM 0 HA THR A 73 6.524 9.612 3.146 1.00 10.00 H new ATOM 0 HB THR A 73 8.694 8.809 4.080 1.00 10.00 H new ATOM 0 HG1 THR A 73 8.152 9.609 1.366 1.00 10.00 H new ATOM 0 HG21 THR A 73 10.138 7.471 2.616 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.801 6.526 3.313 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.725 7.059 1.616 1.00 10.00 H new ATOM 1124 N PHE A 74 5.584 6.798 1.913 1.00 10.00 N ATOM 1125 CA PHE A 74 4.825 6.227 0.804 1.00 10.00 C ATOM 1126 C PHE A 74 3.400 6.781 0.714 1.00 10.00 C ATOM 1127 O PHE A 74 2.715 6.484 -0.266 1.00 10.00 O ATOM 1128 CB PHE A 74 4.748 4.701 0.921 1.00 10.00 C ATOM 1129 CG PHE A 74 6.047 3.919 0.982 1.00 10.00 C ATOM 1130 CD1 PHE A 74 7.265 4.458 0.521 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.995 2.576 1.390 1.00 10.00 C ATOM 1132 CE1 PHE A 74 8.433 3.676 0.548 1.00 10.00 C ATOM 1133 CE2 PHE A 74 7.148 1.778 1.352 1.00 10.00 C ATOM 1134 CZ PHE A 74 8.380 2.347 1.001 1.00 10.00 C ATOM 0 H PHE A 74 5.603 6.208 2.745 1.00 10.00 H new ATOM 0 HA PHE A 74 5.362 6.510 -0.101 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.175 4.465 1.818 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.176 4.330 0.070 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.301 5.471 0.147 1.00 10.00 H new ATOM 0 HD2 PHE A 74 5.062 2.155 1.735 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.372 4.097 0.220 1.00 10.00 H new ATOM 0 HE2 PHE A 74 7.087 0.727 1.593 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.287 1.765 1.079 1.00 10.00 H new ATOM 1144 N ILE A 75 2.917 7.524 1.721 1.00 10.00 N ATOM 1145 CA ILE A 75 1.584 8.126 1.621 1.00 10.00 C ATOM 1146 C ILE A 75 1.482 9.029 0.389 1.00 10.00 C ATOM 1147 O ILE A 75 2.372 9.834 0.120 1.00 10.00 O ATOM 1148 CB ILE A 75 1.142 8.853 2.910 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.753 7.787 3.941 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.066 9.779 2.690 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.658 8.325 5.372 1.00 10.00 C ATOM 0 H ILE A 75 3.415 7.718 2.590 1.00 10.00 H new ATOM 0 HA ILE A 75 0.880 7.303 1.497 1.00 10.00 H new ATOM 0 HB ILE A 75 1.972 9.474 3.246 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.207 7.355 3.660 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.486 6.981 3.913 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.330 10.262 3.631 1.00 10.00 H new ATOM 0 HG22 ILE A 75 0.188 10.539 1.951 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -0.913 9.193 2.332 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.379 7.516 6.047 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.624 8.732 5.673 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.096 9.111 5.416 1.00 10.00 H new ATOM 1163 N ILE A 76 0.373 8.893 -0.340 1.00 10.00 N ATOM 1164 CA ILE A 76 0.093 9.612 -1.584 1.00 10.00 C ATOM 1165 C ILE A 76 -1.287 10.278 -1.580 1.00 10.00 C ATOM 1166 O ILE A 76 -1.635 10.982 -2.531 1.00 10.00 O ATOM 1167 CB ILE A 76 0.174 8.623 -2.761 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.551 7.312 -2.395 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.635 8.366 -3.148 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.078 6.555 -3.610 1.00 10.00 C ATOM 0 H ILE A 76 -0.379 8.259 -0.072 1.00 10.00 H new ATOM 0 HA ILE A 76 0.836 10.403 -1.683 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.324 9.057 -3.628 1.00 10.00 H new ATOM 0 HG12 ILE A 76 0.134 6.668 -1.843 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.383 7.539 -1.728 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.673 7.665 -3.982 1.00 10.00 H new ATOM 0 HG22 ILE A 76 2.104 9.305 -3.442 1.00 10.00 H new ATOM 0 HG23 ILE A 76 2.169 7.945 -2.296 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.577 5.643 -3.282 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.787 7.182 -4.150 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.247 6.298 -4.267 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.109 10.005 -0.567 1.00 10.00 N ATOM 1183 CA GLY A 77 -3.552 10.176 -0.661 1.00 10.00 C ATOM 1184 C GLY A 77 -4.163 9.485 0.532 1.00 10.00 C ATOM 1185 O GLY A 77 -3.436 8.923 1.352 1.00 10.00 O ATOM 0 H GLY A 77 -1.791 9.660 0.339 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -3.814 11.234 -0.668 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -3.930 9.747 -1.589 1.00 10.00 H new ATOM 1189 N GLU A 78 -5.492 9.516 0.611 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.229 8.941 1.711 1.00 10.00 C ATOM 1191 C GLU A 78 -7.516 8.355 1.177 1.00 10.00 C ATOM 1192 O GLU A 78 -8.046 8.866 0.193 1.00 10.00 O ATOM 1193 CB GLU A 78 -6.583 10.037 2.725 1.00 10.00 C ATOM 1194 CG GLU A 78 -5.335 10.882 3.075 1.00 10.00 C ATOM 1195 CD GLU A 78 -5.322 11.529 4.449 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -6.288 11.362 5.221 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -4.263 12.080 4.818 1.00 10.00 O ATOM 0 H GLU A 78 -6.084 9.947 -0.099 1.00 10.00 H new ATOM 0 HA GLU A 78 -5.624 8.173 2.192 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -7.361 10.681 2.315 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.988 9.585 3.630 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -4.455 10.244 2.989 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.233 11.668 2.326 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.010 7.326 1.858 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.281 6.715 1.539 1.00 10.00 C ATOM 1206 C LEU A 79 -10.360 7.765 1.756 1.00 10.00 C ATOM 1207 O LEU A 79 -10.394 8.427 2.796 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.517 5.459 2.391 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.867 4.813 2.050 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -10.924 4.258 0.629 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.222 3.660 2.984 1.00 10.00 C ATOM 0 H LEU A 79 -7.532 6.896 2.650 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.299 6.381 0.501 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.713 4.743 2.221 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -9.492 5.722 3.449 1.00 10.00 H new ATOM 0 HG LEU A 79 -11.580 5.630 2.163 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -11.904 3.815 0.450 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.755 5.065 -0.084 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -10.154 3.497 0.504 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.186 3.242 2.695 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.456 2.887 2.916 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.277 4.026 4.009 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.211 7.942 0.748 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.225 8.970 0.757 1.00 10.00 C ATOM 1225 C HIS A 80 -13.205 8.807 1.933 1.00 10.00 C ATOM 1226 O HIS A 80 -13.231 7.748 2.556 1.00 10.00 O ATOM 1227 CB HIS A 80 -12.898 8.922 -0.615 1.00 10.00 C ATOM 1228 CG HIS A 80 -13.592 10.189 -0.986 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -14.940 10.360 -1.189 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -12.974 11.403 -1.087 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.141 11.673 -1.381 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -13.978 12.352 -1.314 1.00 10.00 N ATOM 0 H HIS A 80 -11.209 7.370 -0.096 1.00 10.00 H new ATOM 0 HA HIS A 80 -11.790 9.956 0.919 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.146 8.695 -1.371 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.620 8.105 -0.628 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -11.914 11.594 -1.007 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.105 12.125 -1.564 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -13.854 13.360 -1.410 1.00 10.00 H new ATOM 1240 N PRO A 81 -14.010 9.820 2.309 1.00 10.00 N ATOM 1241 CA PRO A 81 -14.885 9.670 3.452 1.00 10.00 C ATOM 1242 C PRO A 81 -16.126 8.878 3.163 1.00 10.00 C ATOM 1243 O PRO A 81 -16.581 8.116 4.009 1.00 10.00 O ATOM 1244 CB PRO A 81 -15.290 11.078 3.886 1.00 10.00 C ATOM 1245 CG PRO A 81 -14.168 11.945 3.321 1.00 10.00 C ATOM 1246 CD PRO A 81 -13.940 11.232 1.989 1.00 10.00 C ATOM 0 HA PRO A 81 -14.346 9.121 4.224 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -16.262 11.361 3.482 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -15.359 11.162 4.971 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -14.467 12.985 3.193 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -13.280 11.944 3.953 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -14.698 11.510 1.257 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -12.972 11.493 1.561 1.00 10.00 H new ATOM 1254 N ASP A 82 -16.642 9.040 1.948 1.00 10.00 N ATOM 1255 CA ASP A 82 -17.834 8.342 1.516 1.00 10.00 C ATOM 1256 C ASP A 82 -17.635 6.810 1.553 1.00 10.00 C ATOM 1257 O ASP A 82 -18.568 6.034 1.365 1.00 10.00 O ATOM 1258 CB ASP A 82 -18.164 8.833 0.102 1.00 10.00 C ATOM 1259 CG ASP A 82 -19.561 8.424 -0.339 1.00 10.00 C ATOM 1260 OD1 ASP A 82 -20.505 8.737 0.417 1.00 10.00 O ATOM 1261 OD2 ASP A 82 -19.662 7.871 -1.455 1.00 10.00 O ATOM 0 H ASP A 82 -16.242 9.658 1.242 1.00 10.00 H new ATOM 0 HA ASP A 82 -18.663 8.554 2.191 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -18.078 9.919 0.067 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -17.432 8.433 -0.599 1.00 10.00 H new ATOM 1266 N ASP A 83 -16.382 6.395 1.768 1.00 10.00 N ATOM 1267 CA ASP A 83 -15.795 5.101 1.571 1.00 10.00 C ATOM 1268 C ASP A 83 -15.668 4.343 2.904 1.00 10.00 C ATOM 1269 O ASP A 83 -15.455 3.132 2.883 1.00 10.00 O ATOM 1270 CB ASP A 83 -14.401 5.405 0.973 1.00 10.00 C ATOM 1271 CG ASP A 83 -14.158 4.781 -0.397 1.00 10.00 C ATOM 1272 OD1 ASP A 83 -14.608 3.633 -0.585 1.00 10.00 O ATOM 1273 OD2 ASP A 83 -13.488 5.436 -1.232 1.00 10.00 O ATOM 0 H ASP A 83 -15.688 7.050 2.127 1.00 10.00 H new ATOM 0 HA ASP A 83 -16.398 4.465 0.923 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -14.280 6.485 0.894 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -13.636 5.048 1.663 1.00 10.00 H new ATOM 1278 N ARG A 84 -15.732 5.025 4.064 1.00 10.00 N ATOM 1279 CA ARG A 84 -15.308 4.413 5.325 1.00 10.00 C ATOM 1280 C ARG A 84 -15.788 5.135 6.606 1.00 10.00 C ATOM 1281 O ARG A 84 -15.497 4.583 7.692 1.00 10.00 O ATOM 1282 CB ARG A 84 -13.770 4.222 5.318 1.00 10.00 C ATOM 1283 CG ARG A 84 -12.875 5.477 5.132 1.00 10.00 C ATOM 1284 CD ARG A 84 -13.521 6.620 5.882 1.00 10.00 C ATOM 1285 NE ARG A 84 -12.849 7.902 6.004 1.00 10.00 N ATOM 1286 CZ ARG A 84 -13.549 8.882 6.609 1.00 10.00 C ATOM 1287 NH1 ARG A 84 -14.818 8.653 7.008 1.00 10.00 N ATOM 1288 NH2 ARG A 84 -12.989 10.084 6.790 1.00 10.00 N ATOM 1289 OXT ARG A 84 -16.246 6.303 6.522 1.00 10.00 O ATOM 0 H ARG A 84 -16.068 5.984 4.148 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.807 3.445 5.373 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -13.489 3.749 6.259 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.526 3.518 4.522 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -11.871 5.290 5.512 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -12.775 5.722 4.075 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -14.486 6.807 5.411 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -13.723 6.266 6.893 1.00 10.00 H new ATOM 0 HE ARG A 84 -11.903 8.052 5.653 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -15.245 7.740 6.851 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -15.350 9.393 7.466 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -12.036 10.256 6.470 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -13.516 10.828 7.247 1.00 10.00 H new TER 1303 ARG A 84 HETATM 1304 FE HEM A 201 6.156 -6.065 4.098 1.00 10.00 FE HETATM 1305 CHA HEM A 201 8.582 -8.241 5.320 1.00 10.00 C HETATM 1306 CHB HEM A 201 8.355 -3.386 4.594 1.00 10.00 C HETATM 1307 CHC HEM A 201 3.642 -3.840 3.296 1.00 10.00 C HETATM 1308 CHD HEM A 201 4.103 -8.744 3.367 1.00 10.00 C HETATM 1309 NA HEM A 201 8.122 -5.854 4.795 1.00 10.00 N HETATM 1310 C1A HEM A 201 8.885 -6.874 5.288 1.00 10.00 C HETATM 1311 C2A HEM A 201 10.076 -6.276 5.856 1.00 10.00 C HETATM 1312 C3A HEM A 201 10.076 -4.946 5.503 1.00 10.00 C HETATM 1313 C4A HEM A 201 8.790 -4.665 4.923 1.00 10.00 C HETATM 1314 CMA HEM A 201 11.159 -3.933 5.796 1.00 10.00 C HETATM 1315 CAA HEM A 201 10.982 -6.906 6.891 1.00 10.00 C HETATM 1316 CBA HEM A 201 10.406 -6.755 8.308 1.00 10.00 C HETATM 1317 CGA HEM A 201 10.343 -5.292 8.752 1.00 10.00 C HETATM 1318 O1A HEM A 201 11.427 -4.729 9.014 1.00 10.00 O HETATM 1319 O2A HEM A 201 9.218 -4.750 8.835 1.00 10.00 O HETATM 1320 NB HEM A 201 6.040 -4.011 3.929 1.00 10.00 N HETATM 1321 C1B HEM A 201 7.068 -3.123 4.149 1.00 10.00 C HETATM 1322 C2B HEM A 201 6.582 -1.798 3.845 1.00 10.00 C HETATM 1323 C3B HEM A 201 5.266 -1.947 3.491 1.00 10.00 C HETATM 1324 C4B HEM A 201 4.911 -3.338 3.571 1.00 10.00 C HETATM 1325 CMB HEM A 201 7.350 -0.508 3.975 1.00 10.00 C HETATM 1326 CAB HEM A 201 4.488 -0.977 2.639 1.00 10.00 C HETATM 1327 CBB HEM A 201 3.866 0.074 3.198 1.00 10.00 C HETATM 1328 NC HEM A 201 4.210 -6.251 3.493 1.00 10.00 N HETATM 1329 C1C HEM A 201 3.349 -5.201 3.281 1.00 10.00 C HETATM 1330 C2C HEM A 201 2.041 -5.761 3.040 1.00 10.00 C HETATM 1331 C3C HEM A 201 2.216 -7.119 2.979 1.00 10.00 C HETATM 1332 C4C HEM A 201 3.579 -7.446 3.290 1.00 10.00 C HETATM 1333 CMC HEM A 201 0.724 -5.037 2.932 1.00 10.00 C HETATM 1334 CAC HEM A 201 1.094 -8.121 2.945 1.00 10.00 C HETATM 1335 CBC HEM A 201 0.902 -8.832 1.816 1.00 10.00 C HETATM 1336 ND HEM A 201 6.330 -8.135 4.273 1.00 10.00 N HETATM 1337 C1D HEM A 201 5.380 -9.022 3.858 1.00 10.00 C HETATM 1338 C2D HEM A 201 5.922 -10.348 4.038 1.00 10.00 C HETATM 1339 C3D HEM A 201 7.164 -10.208 4.615 1.00 10.00 C HETATM 1340 C4D HEM A 201 7.417 -8.792 4.769 1.00 10.00 C HETATM 1341 CMD HEM A 201 5.259 -11.652 3.652 1.00 10.00 C HETATM 1342 CAD HEM A 201 8.104 -11.337 4.972 1.00 10.00 C HETATM 1343 CBD HEM A 201 7.840 -11.905 6.368 1.00 10.00 C HETATM 1344 CGD HEM A 201 8.920 -12.920 6.715 1.00 10.00 C HETATM 1345 O1D HEM A 201 10.065 -12.468 6.933 1.00 10.00 O HETATM 1346 O2D HEM A 201 8.591 -14.126 6.725 1.00 10.00 O HETATM 0 HMA1 HEM A 201 11.095 -3.114 5.079 1.00 10.00 H new HETATM 0 HMA2 HEM A 201 12.135 -4.411 5.715 1.00 10.00 H new HETATM 0 HMA3 HEM A 201 11.028 -3.542 6.805 1.00 10.00 H new HETATM 0 HMB1 HEM A 201 8.079 -0.598 4.780 1.00 10.00 H new HETATM 0 HMB2 HEM A 201 6.660 0.305 4.200 1.00 10.00 H new HETATM 0 HMB3 HEM A 201 7.867 -0.297 3.039 1.00 10.00 H new HETATM 0 HMC1 HEM A 201 0.062 -5.584 2.261 1.00 10.00 H new HETATM 0 HMC2 HEM A 201 0.891 -4.034 2.539 1.00 10.00 H new HETATM 0 HMC3 HEM A 201 0.265 -4.968 3.918 1.00 10.00 H new HETATM 0 HMD1 HEM A 201 4.176 -11.543 3.717 1.00 10.00 H new HETATM 0 HMD2 HEM A 201 5.586 -12.441 4.330 1.00 10.00 H new HETATM 0 HMD3 HEM A 201 5.537 -11.913 2.631 1.00 10.00 H new HETATM 0 HBB1 HEM A 201 3.306 0.771 2.574 1.00 10.00 H new HETATM 0 HBB2 HEM A 201 3.922 0.230 4.275 1.00 10.00 H new HETATM 0 HBC1 HEM A 201 0.097 -9.565 1.764 1.00 10.00 H new HETATM 0 HBC2 HEM A 201 1.552 -8.674 0.955 1.00 10.00 H new HETATM 0 HBA1 HEM A 201 11.019 -7.320 9.010 1.00 10.00 H new HETATM 0 HBA2 HEM A 201 9.405 -7.186 8.340 1.00 10.00 H new HETATM 0 HAA1 HEM A 201 11.967 -6.441 6.846 1.00 10.00 H new HETATM 0 HAA2 HEM A 201 11.118 -7.963 6.663 1.00 10.00 H new HETATM 0 HBD1 HEM A 201 6.858 -12.377 6.401 1.00 10.00 H new HETATM 0 HBD2 HEM A 201 7.832 -11.101 7.104 1.00 10.00 H new HETATM 0 HAD1 HEM A 201 9.132 -10.979 4.918 1.00 10.00 H new HETATM 0 HAD2 HEM A 201 8.005 -12.134 4.235 1.00 10.00 H new HETATM 0 HHA HEM A 201 9.286 -8.908 5.796 1.00 10.00 H new HETATM 0 HHB HEM A 201 9.048 -2.563 4.689 1.00 10.00 H new HETATM 0 HHC HEM A 201 2.847 -3.140 3.084 1.00 10.00 H new HETATM 0 HHD HEM A 201 3.490 -9.567 3.031 1.00 10.00 H new HETATM 0 HAB HEM A 201 4.430 -1.130 1.561 1.00 10.00 H new HETATM 0 HAC HEM A 201 0.451 -8.268 3.813 1.00 10.00 H new