USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 557 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 45 HIS : no HE2:sc= 1.17! C(o=-1.9!,f=-8.4!) USER MOD Set 1.2: A 49 GLN : amide:sc= 0.94 K(o=-1.9,f=-5.7!) USER MOD Set 1.3: A 57 ASN : amide:sc= -1.27! C(o=-1.9!,f=-2.5!) USER MOD Set 1.4: A 201 HEM CMD :methyl -30:sc= -2.76 (180deg=-7.04!) USER MOD Set 2.1: A 16 ASN : amide:sc= 0.0485 K(o=-0.048,f=-9.5!) USER MOD Set 2.2: A 17 ASN : amide:sc= -0.0966 K(o=-0.048,f=-6.5!) USER MOD Set 3.1: A 15 HIS : no HD1:sc= 0.3 K(o=0.98,f=-6.8!) USER MOD Set 3.2: A 20 SER OG : rot 156:sc= 0.682 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 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.84 K(o=0.84,f=-0.077) USER MOD Single : A 14 LYS NZ :NH3+ 138:sc= 1.23 (180deg=0.835) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0582 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -160:sc= -0.0762 USER MOD Single : A 26 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.26) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -170:sc= 0.959 (180deg=0.919) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 106:sc= 1.89 USER MOD Single : A 34 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.219) USER MOD Single : A 55 THR OG1 : rot 91:sc= 0.164 USER MOD Single : A 64 SER OG : rot 125:sc= 0.743 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0518 USER MOD Single : A 71 SER OG : rot -55:sc= 0.655 USER MOD Single : A 72 LYS NZ :NH3+ -175:sc= 1.71 (180deg=1.44) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -1.44 K(o=-1.4,f=-7.3!) USER MOD Single : A 201 HEM CMA :methyl -30:sc= -0.0589 (180deg=-0.368) USER MOD Single : A 201 HEM CMB :methyl -30:sc= -2.19! (180deg=-2.45) USER MOD Single : A 201 HEM CMC :methyl -30:sc= -0.751 (180deg=-1.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 5.541 1.031 -18.190 1.00 0.00 N ATOM 2 CA ALA A 3 4.119 0.810 -17.841 1.00 0.00 C ATOM 3 C ALA A 3 4.006 0.068 -16.502 1.00 0.00 C ATOM 4 O ALA A 3 5.028 -0.373 -15.985 1.00 0.00 O ATOM 5 CB ALA A 3 3.409 0.040 -18.960 1.00 0.00 C ATOM 0 HA ALA A 3 3.629 1.778 -17.733 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.365 -0.115 -18.689 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.463 0.612 -19.886 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.894 -0.926 -19.102 1.00 0.00 H new ATOM 13 N VAL A 4 2.796 -0.072 -15.952 1.00 0.00 N ATOM 14 CA VAL A 4 2.564 -0.870 -14.747 1.00 0.00 C ATOM 15 C VAL A 4 2.976 -2.336 -14.948 1.00 0.00 C ATOM 16 O VAL A 4 2.625 -2.942 -15.958 1.00 0.00 O ATOM 17 CB VAL A 4 1.097 -0.741 -14.291 1.00 0.00 C ATOM 18 CG1 VAL A 4 0.061 -1.071 -15.378 1.00 0.00 C ATOM 19 CG2 VAL A 4 0.825 -1.640 -13.083 1.00 0.00 C ATOM 0 H VAL A 4 1.954 0.363 -16.329 1.00 0.00 H new ATOM 0 HA VAL A 4 3.198 -0.477 -13.952 1.00 0.00 H new ATOM 0 HB VAL A 4 0.978 0.312 -14.037 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.943 -0.954 -14.971 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.191 -0.394 -16.222 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.200 -2.099 -15.713 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.216 -1.534 -12.777 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.020 -2.678 -13.351 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.477 -1.349 -12.259 1.00 0.00 H new ATOM 29 N LYS A 5 3.712 -2.905 -13.984 1.00 0.00 N ATOM 30 CA LYS A 5 4.123 -4.311 -14.020 1.00 0.00 C ATOM 31 C LYS A 5 3.214 -5.264 -13.246 1.00 0.00 C ATOM 32 O LYS A 5 3.347 -6.470 -13.428 1.00 0.00 O ATOM 33 CB LYS A 5 5.603 -4.470 -13.636 1.00 0.00 C ATOM 34 CG LYS A 5 5.885 -4.291 -12.136 1.00 0.00 C ATOM 35 CD LYS A 5 7.176 -5.016 -11.725 1.00 0.00 C ATOM 36 CE LYS A 5 8.431 -4.293 -12.222 1.00 0.00 C ATOM 37 NZ LYS A 5 9.652 -4.969 -11.733 1.00 0.00 N ATOM 0 H LYS A 5 4.038 -2.402 -13.159 1.00 0.00 H new ATOM 0 HA LYS A 5 4.007 -4.620 -15.059 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.943 -5.459 -13.943 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.192 -3.743 -14.195 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.970 -3.230 -11.903 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.047 -4.678 -11.557 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.213 -5.099 -10.639 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.163 -6.031 -12.122 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.435 -4.268 -13.312 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.420 -3.258 -11.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.492 -4.463 -12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.655 -4.971 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.669 -5.949 -12.081 1.00 0.00 H new ATOM 47 N TYR A 6 2.332 -4.724 -12.392 1.00 0.00 N ATOM 48 CA TYR A 6 1.527 -5.483 -11.433 1.00 0.00 C ATOM 49 C TYR A 6 2.372 -6.167 -10.364 1.00 0.00 C ATOM 50 O TYR A 6 3.557 -6.431 -10.555 1.00 0.00 O ATOM 51 CB TYR A 6 0.639 -6.513 -12.129 1.00 0.00 C ATOM 52 CG TYR A 6 -0.274 -5.976 -13.220 1.00 0.00 C ATOM 53 CD1 TYR A 6 -0.992 -4.784 -13.025 1.00 0.00 C ATOM 54 CD2 TYR A 6 -0.383 -6.659 -14.447 1.00 0.00 C ATOM 55 CE1 TYR A 6 -1.845 -4.297 -14.031 1.00 0.00 C ATOM 56 CE2 TYR A 6 -1.230 -6.168 -15.455 1.00 0.00 C ATOM 57 CZ TYR A 6 -1.958 -4.986 -15.246 1.00 0.00 C ATOM 58 OH TYR A 6 -2.783 -4.514 -16.217 1.00 0.00 O ATOM 0 H TYR A 6 2.157 -3.720 -12.351 1.00 0.00 H new ATOM 0 HA TYR A 6 0.892 -4.749 -10.936 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.279 -7.281 -12.563 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.022 -7.001 -11.374 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -0.888 -4.239 -12.098 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.186 -7.562 -14.613 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -2.413 -3.393 -13.868 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -1.321 -6.700 -16.391 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.745 -5.108 -16.996 1.00 0.00 H new ATOM 67 N TYR A 7 1.744 -6.442 -9.221 1.00 0.00 N ATOM 68 CA TYR A 7 2.379 -7.216 -8.175 1.00 0.00 C ATOM 69 C TYR A 7 1.340 -8.136 -7.558 1.00 0.00 C ATOM 70 O TYR A 7 0.368 -7.668 -6.976 1.00 0.00 O ATOM 71 CB TYR A 7 3.027 -6.295 -7.139 1.00 0.00 C ATOM 72 CG TYR A 7 3.988 -5.279 -7.715 1.00 0.00 C ATOM 73 CD1 TYR A 7 3.528 -4.084 -8.304 1.00 0.00 C ATOM 74 CD2 TYR A 7 5.349 -5.601 -7.779 1.00 0.00 C ATOM 75 CE1 TYR A 7 4.443 -3.244 -8.966 1.00 0.00 C ATOM 76 CE2 TYR A 7 6.276 -4.636 -8.187 1.00 0.00 C ATOM 77 CZ TYR A 7 5.820 -3.457 -8.798 1.00 0.00 C ATOM 78 OH TYR A 7 6.719 -2.579 -9.318 1.00 0.00 O ATOM 0 H TYR A 7 0.795 -6.136 -9.004 1.00 0.00 H new ATOM 0 HA TYR A 7 3.182 -7.825 -8.589 1.00 0.00 H new ATOM 0 HB2 TYR A 7 2.241 -5.767 -6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.559 -6.907 -6.410 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.483 -3.815 -8.248 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.683 -6.593 -7.514 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.089 -2.443 -9.598 1.00 0.00 H new ATOM 0 HE2 TYR A 7 7.333 -4.796 -8.033 1.00 0.00 H new ATOM 0 HH TYR A 7 7.628 -2.878 -9.107 1.00 0.00 H new ATOM 87 N THR A 8 1.522 -9.442 -7.724 1.00 0.00 N ATOM 88 CA THR A 8 0.601 -10.423 -7.164 1.00 0.00 C ATOM 89 C THR A 8 0.591 -10.291 -5.652 1.00 0.00 C ATOM 90 O THR A 8 1.621 -10.042 -5.026 1.00 0.00 O ATOM 91 CB THR A 8 0.966 -11.850 -7.584 1.00 0.00 C ATOM 92 OG1 THR A 8 2.208 -12.225 -7.023 1.00 0.00 O ATOM 93 CG2 THR A 8 1.063 -11.965 -9.105 1.00 0.00 C ATOM 0 H THR A 8 2.301 -9.846 -8.243 1.00 0.00 H new ATOM 0 HA THR A 8 -0.397 -10.225 -7.554 1.00 0.00 H new ATOM 0 HB THR A 8 0.179 -12.511 -7.222 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.428 -13.139 -7.298 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.323 -12.988 -9.377 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.104 -11.704 -9.552 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.831 -11.285 -9.473 1.00 0.00 H new ATOM 101 N LEU A 9 -0.583 -10.455 -5.060 1.00 0.00 N ATOM 102 CA LEU A 9 -0.803 -10.465 -3.626 1.00 0.00 C ATOM 103 C LEU A 9 0.252 -11.309 -2.900 1.00 0.00 C ATOM 104 O LEU A 9 0.678 -10.953 -1.816 1.00 0.00 O ATOM 105 CB LEU A 9 -2.162 -11.095 -3.412 1.00 0.00 C ATOM 106 CG LEU A 9 -2.939 -10.626 -2.179 1.00 0.00 C ATOM 107 CD1 LEU A 9 -4.277 -11.368 -2.120 1.00 0.00 C ATOM 108 CD2 LEU A 9 -2.201 -10.800 -0.852 1.00 0.00 C ATOM 0 H LEU A 9 -1.443 -10.590 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.741 -9.451 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.772 -10.902 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.032 -12.175 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.077 -9.552 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.837 -11.040 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.852 -11.153 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.096 -12.441 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.829 -10.441 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.974 -11.855 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.273 -10.229 -0.874 1.00 0.00 H new ATOM 119 N GLU A 10 0.669 -12.435 -3.486 1.00 0.00 N ATOM 120 CA GLU A 10 1.819 -13.205 -3.007 1.00 0.00 C ATOM 121 C GLU A 10 3.023 -12.287 -2.745 1.00 0.00 C ATOM 122 O GLU A 10 3.589 -12.276 -1.650 1.00 0.00 O ATOM 123 CB GLU A 10 2.173 -14.324 -4.007 1.00 0.00 C ATOM 124 CG GLU A 10 3.670 -14.669 -3.875 1.00 0.00 C ATOM 125 CD GLU A 10 4.125 -16.015 -4.404 1.00 0.00 C ATOM 126 OE1 GLU A 10 3.314 -16.732 -5.020 1.00 0.00 O ATOM 127 OE2 GLU A 10 5.326 -16.271 -4.149 1.00 0.00 O ATOM 0 H GLU A 10 0.218 -12.838 -4.307 1.00 0.00 H new ATOM 0 HA GLU A 10 1.551 -13.673 -2.060 1.00 0.00 H new ATOM 0 HB2 GLU A 10 1.566 -15.208 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.950 -14.002 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.241 -13.895 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.936 -14.614 -2.819 1.00 0.00 H new ATOM 132 N GLU A 11 3.427 -11.521 -3.759 1.00 0.00 N ATOM 133 CA GLU A 11 4.484 -10.536 -3.633 1.00 0.00 C ATOM 134 C GLU A 11 4.106 -9.526 -2.570 1.00 0.00 C ATOM 135 O GLU A 11 4.830 -9.364 -1.594 1.00 0.00 O ATOM 136 CB GLU A 11 4.810 -9.883 -4.990 1.00 0.00 C ATOM 137 CG GLU A 11 6.289 -9.464 -5.067 1.00 0.00 C ATOM 138 CD GLU A 11 6.673 -8.862 -6.416 1.00 0.00 C ATOM 139 OE1 GLU A 11 5.926 -9.101 -7.389 1.00 0.00 O ATOM 140 OE2 GLU A 11 7.711 -8.167 -6.452 1.00 0.00 O ATOM 0 H GLU A 11 3.023 -11.572 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 11 5.403 -11.029 -3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.585 -10.582 -5.796 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.174 -9.010 -5.138 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.496 -8.738 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.917 -10.333 -4.872 1.00 0.00 H new ATOM 145 N ILE A 12 2.925 -8.922 -2.693 1.00 0.00 N ATOM 146 CA ILE A 12 2.469 -7.937 -1.722 1.00 0.00 C ATOM 147 C ILE A 12 2.583 -8.446 -0.280 1.00 0.00 C ATOM 148 O ILE A 12 3.085 -7.733 0.589 1.00 0.00 O ATOM 149 CB ILE A 12 1.065 -7.401 -2.058 1.00 0.00 C ATOM 150 CG1 ILE A 12 0.850 -7.097 -3.552 1.00 0.00 C ATOM 151 CG2 ILE A 12 0.840 -6.089 -1.312 1.00 0.00 C ATOM 152 CD1 ILE A 12 -0.558 -6.583 -3.843 1.00 0.00 C ATOM 0 H ILE A 12 2.270 -9.099 -3.455 1.00 0.00 H new ATOM 0 HA ILE A 12 3.145 -7.085 -1.794 1.00 0.00 H new ATOM 0 HB ILE A 12 0.371 -8.189 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.579 -6.356 -3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.032 -8.000 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.152 -5.703 -1.545 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.919 -6.263 -0.239 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.593 -5.363 -1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.659 -6.383 -4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.289 -7.334 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.733 -5.664 -3.284 1.00 0.00 H new ATOM 163 N GLN A 13 2.227 -9.708 -0.031 1.00 0.00 N ATOM 164 CA GLN A 13 2.348 -10.284 1.307 1.00 0.00 C ATOM 165 C GLN A 13 3.769 -10.228 1.864 1.00 0.00 C ATOM 166 O GLN A 13 3.961 -10.125 3.073 1.00 0.00 O ATOM 167 CB GLN A 13 1.873 -11.738 1.300 1.00 0.00 C ATOM 168 CG GLN A 13 0.360 -11.815 1.535 1.00 0.00 C ATOM 169 CD GLN A 13 -0.042 -11.475 2.968 1.00 0.00 C ATOM 170 OE1 GLN A 13 0.078 -12.300 3.863 1.00 0.00 O ATOM 171 NE2 GLN A 13 -0.535 -10.269 3.220 1.00 0.00 N ATOM 0 H GLN A 13 1.855 -10.346 -0.734 1.00 0.00 H new ATOM 0 HA GLN A 13 1.719 -9.675 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.122 -12.202 0.346 1.00 0.00 H new ATOM 0 HB3 GLN A 13 2.395 -12.300 2.074 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.143 -11.131 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.012 -12.820 1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.630 -9.589 2.466 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.818 -10.022 4.168 1.00 0.00 H new ATOM 178 N LYS A 14 4.772 -10.313 0.991 1.00 0.00 N ATOM 179 CA LYS A 14 6.163 -10.344 1.398 1.00 0.00 C ATOM 180 C LYS A 14 6.703 -8.928 1.703 1.00 0.00 C ATOM 181 O LYS A 14 7.817 -8.789 2.207 1.00 0.00 O ATOM 182 CB LYS A 14 6.954 -11.084 0.307 1.00 0.00 C ATOM 183 CG LYS A 14 6.777 -12.604 0.465 1.00 0.00 C ATOM 184 CD LYS A 14 7.416 -13.419 -0.677 1.00 0.00 C ATOM 185 CE LYS A 14 6.360 -13.831 -1.715 1.00 0.00 C ATOM 186 NZ LYS A 14 6.906 -14.719 -2.767 1.00 0.00 N ATOM 0 H LYS A 14 4.635 -10.362 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 14 6.276 -10.884 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.610 -10.770 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.011 -10.824 0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.215 -12.916 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.713 -12.835 0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.194 -12.828 -1.159 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.897 -14.308 -0.269 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.538 -14.337 -1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.946 -12.936 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.226 -15.480 -2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.074 -14.169 -3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.803 -15.133 -2.441 1.00 0.00 H new ATOM 196 N HIS A 15 5.913 -7.880 1.432 1.00 0.00 N ATOM 197 CA HIS A 15 6.224 -6.485 1.745 1.00 0.00 C ATOM 198 C HIS A 15 5.288 -5.923 2.825 1.00 0.00 C ATOM 199 O HIS A 15 4.326 -5.213 2.539 1.00 0.00 O ATOM 200 CB HIS A 15 6.133 -5.659 0.467 1.00 0.00 C ATOM 201 CG HIS A 15 7.149 -6.023 -0.591 1.00 0.00 C ATOM 202 ND1 HIS A 15 8.398 -5.472 -0.799 1.00 0.00 N ATOM 203 CD2 HIS A 15 6.931 -6.919 -1.599 1.00 0.00 C ATOM 204 CE1 HIS A 15 8.916 -6.046 -1.896 1.00 0.00 C ATOM 205 NE2 HIS A 15 8.070 -6.950 -2.406 1.00 0.00 N ATOM 0 H HIS A 15 5.009 -7.988 0.973 1.00 0.00 H new ATOM 0 HA HIS A 15 7.236 -6.433 2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.134 -5.773 0.047 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.254 -4.606 0.721 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.034 -7.502 -1.746 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.885 -5.811 -2.311 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.226 -7.543 -3.221 1.00 0.00 H new ATOM 212 N ASN A 16 5.600 -6.217 4.086 1.00 0.00 N ATOM 213 CA ASN A 16 4.795 -5.805 5.241 1.00 0.00 C ATOM 214 C ASN A 16 5.582 -5.654 6.558 1.00 0.00 C ATOM 215 O ASN A 16 4.988 -5.737 7.632 1.00 0.00 O ATOM 216 CB ASN A 16 3.647 -6.810 5.397 1.00 0.00 C ATOM 217 CG ASN A 16 4.131 -8.222 5.713 1.00 0.00 C ATOM 218 OD1 ASN A 16 5.326 -8.507 5.729 1.00 0.00 O ATOM 219 ND2 ASN A 16 3.205 -9.129 5.980 1.00 0.00 N ATOM 0 H ASN A 16 6.429 -6.755 4.340 1.00 0.00 H new ATOM 0 HA ASN A 16 4.423 -4.801 5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.982 -6.473 6.192 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.061 -6.830 4.478 1.00 0.00 H new ATOM 0 HD21 ASN A 16 3.478 -10.086 6.205 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.218 -8.871 5.961 1.00 0.00 H new ATOM 225 N ASN A 17 6.903 -5.449 6.500 1.00 0.00 N ATOM 226 CA ASN A 17 7.785 -5.303 7.665 1.00 0.00 C ATOM 227 C ASN A 17 8.810 -4.190 7.387 1.00 0.00 C ATOM 228 O ASN A 17 8.719 -3.520 6.362 1.00 0.00 O ATOM 229 CB ASN A 17 8.479 -6.656 7.935 1.00 0.00 C ATOM 230 CG ASN A 17 7.600 -7.654 8.683 1.00 0.00 C ATOM 231 OD1 ASN A 17 7.571 -7.683 9.911 1.00 0.00 O ATOM 232 ND2 ASN A 17 6.828 -8.482 7.998 1.00 0.00 N ATOM 0 H ASN A 17 7.404 -5.378 5.614 1.00 0.00 H new ATOM 0 HA ASN A 17 7.214 -5.024 8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.785 -7.094 6.985 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.387 -6.481 8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.218 -9.135 8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.843 -8.467 6.978 1.00 0.00 H new ATOM 238 N SER A 18 9.834 -4.025 8.236 1.00 0.00 N ATOM 239 CA SER A 18 10.994 -3.164 7.967 1.00 0.00 C ATOM 240 C SER A 18 11.515 -3.336 6.527 1.00 0.00 C ATOM 241 O SER A 18 11.959 -2.382 5.896 1.00 0.00 O ATOM 242 CB SER A 18 12.082 -3.479 8.998 1.00 0.00 C ATOM 243 OG SER A 18 11.490 -3.607 10.278 1.00 0.00 O ATOM 0 H SER A 18 9.880 -4.492 9.141 1.00 0.00 H new ATOM 0 HA SER A 18 10.695 -2.120 8.057 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.598 -4.401 8.729 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.830 -2.686 9.008 1.00 0.00 H new ATOM 0 HG SER A 18 12.183 -3.810 10.940 1.00 0.00 H new ATOM 248 N LYS A 19 11.418 -4.574 6.024 1.00 0.00 N ATOM 249 CA LYS A 19 11.558 -4.983 4.628 1.00 0.00 C ATOM 250 C LYS A 19 11.077 -3.907 3.652 1.00 0.00 C ATOM 251 O LYS A 19 11.816 -3.401 2.808 1.00 0.00 O ATOM 252 CB LYS A 19 10.636 -6.211 4.466 1.00 0.00 C ATOM 253 CG LYS A 19 10.471 -6.754 3.035 1.00 0.00 C ATOM 254 CD LYS A 19 11.778 -6.915 2.250 1.00 0.00 C ATOM 255 CE LYS A 19 11.436 -7.419 0.840 1.00 0.00 C ATOM 256 NZ LYS A 19 12.626 -7.452 -0.036 1.00 0.00 N ATOM 0 H LYS A 19 11.225 -5.371 6.630 1.00 0.00 H new ATOM 0 HA LYS A 19 12.607 -5.179 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.021 -7.014 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.649 -5.951 4.850 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.973 -7.722 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.812 -6.085 2.482 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.307 -5.964 2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.440 -7.619 2.755 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.006 -8.418 0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.677 -6.774 0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.354 -7.798 -0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 13.022 -6.494 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.340 -8.088 0.373 1.00 0.00 H new ATOM 266 N SER A 20 9.774 -3.669 3.748 1.00 0.00 N ATOM 267 CA SER A 20 8.934 -2.833 2.907 1.00 0.00 C ATOM 268 C SER A 20 7.524 -2.841 3.511 1.00 0.00 C ATOM 269 O SER A 20 7.146 -3.829 4.141 1.00 0.00 O ATOM 270 CB SER A 20 8.816 -3.384 1.482 1.00 0.00 C ATOM 271 OG SER A 20 10.021 -3.838 0.894 1.00 0.00 O ATOM 0 H SER A 20 9.228 -4.102 4.493 1.00 0.00 H new ATOM 0 HA SER A 20 9.377 -1.838 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.104 -4.210 1.490 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.394 -2.606 0.846 1.00 0.00 H new ATOM 0 HG SER A 20 9.817 -4.489 0.190 1.00 0.00 H new ATOM 276 N THR A 21 6.722 -1.807 3.259 1.00 0.00 N ATOM 277 CA THR A 21 5.298 -1.778 3.603 1.00 0.00 C ATOM 278 C THR A 21 4.467 -1.489 2.363 1.00 0.00 C ATOM 279 O THR A 21 4.338 -0.328 1.972 1.00 0.00 O ATOM 280 CB THR A 21 5.023 -0.756 4.720 1.00 0.00 C ATOM 281 OG1 THR A 21 5.410 -1.355 5.938 1.00 0.00 O ATOM 282 CG2 THR A 21 3.553 -0.333 4.830 1.00 0.00 C ATOM 0 H THR A 21 7.046 -0.954 2.804 1.00 0.00 H new ATOM 0 HA THR A 21 5.009 -2.757 3.984 1.00 0.00 H new ATOM 0 HB THR A 21 5.586 0.148 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.974 -0.892 6.683 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.442 0.388 5.640 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.234 0.122 3.892 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.937 -1.208 5.036 1.00 0.00 H new ATOM 290 N TRP A 22 3.900 -2.551 1.775 1.00 0.00 N ATOM 291 CA TRP A 22 2.995 -2.469 0.641 1.00 0.00 C ATOM 292 C TRP A 22 1.539 -2.595 1.019 1.00 0.00 C ATOM 293 O TRP A 22 1.147 -3.442 1.804 1.00 0.00 O ATOM 294 CB TRP A 22 3.309 -3.508 -0.433 1.00 0.00 C ATOM 295 CG TRP A 22 4.569 -3.391 -1.223 1.00 0.00 C ATOM 296 CD1 TRP A 22 5.618 -2.580 -0.983 1.00 0.00 C ATOM 297 CD2 TRP A 22 4.925 -4.154 -2.407 1.00 0.00 C ATOM 298 NE1 TRP A 22 6.572 -2.759 -1.963 1.00 0.00 N ATOM 299 CE2 TRP A 22 6.195 -3.720 -2.877 1.00 0.00 C ATOM 300 CE3 TRP A 22 4.283 -5.162 -3.146 1.00 0.00 C ATOM 301 CZ2 TRP A 22 6.762 -4.246 -4.048 1.00 0.00 C ATOM 302 CZ3 TRP A 22 4.933 -5.827 -4.188 1.00 0.00 C ATOM 303 CH2 TRP A 22 6.149 -5.339 -4.673 1.00 0.00 C ATOM 0 H TRP A 22 4.067 -3.507 2.088 1.00 0.00 H new ATOM 0 HA TRP A 22 3.161 -1.468 0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.316 -4.485 0.050 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.479 -3.508 -1.140 1.00 0.00 H new ATOM 0 HD1 TRP A 22 5.699 -1.895 -0.152 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.451 -2.243 -2.006 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.265 -5.428 -2.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.660 -3.813 -4.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.497 -6.716 -4.618 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.616 -5.804 -5.529 1.00 0.00 H new ATOM 313 N LEU A 23 0.707 -1.766 0.413 1.00 0.00 N ATOM 314 CA LEU A 23 -0.694 -1.741 0.700 1.00 0.00 C ATOM 315 C LEU A 23 -1.469 -1.561 -0.588 1.00 0.00 C ATOM 316 O LEU A 23 -0.884 -1.148 -1.581 1.00 0.00 O ATOM 317 CB LEU A 23 -0.989 -0.661 1.735 1.00 0.00 C ATOM 318 CG LEU A 23 -0.010 0.401 2.219 1.00 0.00 C ATOM 319 CD1 LEU A 23 -0.285 1.722 1.488 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.207 0.591 3.736 1.00 0.00 C ATOM 0 H LEU A 23 0.999 -1.092 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.014 -2.687 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.852 -0.115 1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.316 -1.191 2.630 1.00 0.00 H new ATOM 0 HG LEU A 23 1.015 0.091 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.415 2.482 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.161 1.577 0.415 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.305 2.047 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.486 1.349 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.230 0.911 3.933 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.017 -0.352 4.249 1.00 0.00 H new ATOM 331 N ILE A 24 -2.761 -1.888 -0.583 1.00 0.00 N ATOM 332 CA ILE A 24 -3.610 -1.688 -1.750 1.00 0.00 C ATOM 333 C ILE A 24 -4.636 -0.625 -1.412 1.00 0.00 C ATOM 334 O ILE A 24 -5.385 -0.791 -0.452 1.00 0.00 O ATOM 335 CB ILE A 24 -4.285 -2.982 -2.243 1.00 0.00 C ATOM 336 CG1 ILE A 24 -3.250 -4.044 -2.633 1.00 0.00 C ATOM 337 CG2 ILE A 24 -5.183 -2.685 -3.447 1.00 0.00 C ATOM 338 CD1 ILE A 24 -3.830 -5.454 -2.471 1.00 0.00 C ATOM 0 H ILE A 24 -3.241 -2.294 0.220 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.982 -1.363 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.886 -3.371 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.937 -3.891 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.361 -3.938 -2.011 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.654 -3.608 -3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.953 -1.969 -3.159 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.582 -2.267 -4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.078 -6.191 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.120 -5.611 -1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.705 -5.564 -3.112 1.00 0.00 H new ATOM 349 N LEU A 25 -4.668 0.456 -2.191 1.00 0.00 N ATOM 350 CA LEU A 25 -5.694 1.475 -2.047 1.00 0.00 C ATOM 351 C LEU A 25 -6.452 1.485 -3.379 1.00 0.00 C ATOM 352 O LEU A 25 -6.003 2.083 -4.353 1.00 0.00 O ATOM 353 CB LEU A 25 -5.152 2.845 -1.573 1.00 0.00 C ATOM 354 CG LEU A 25 -3.957 2.788 -0.604 1.00 0.00 C ATOM 355 CD1 LEU A 25 -3.407 4.186 -0.305 1.00 0.00 C ATOM 356 CD2 LEU A 25 -4.282 2.157 0.750 1.00 0.00 C ATOM 0 H LEU A 25 -3.990 0.644 -2.929 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.383 1.241 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.859 3.423 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.963 3.389 -1.089 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.229 2.167 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.565 4.106 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.076 4.653 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.189 4.795 0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.388 2.155 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.066 2.733 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.624 1.133 0.601 1.00 0.00 H new ATOM 367 N HIS A 26 -7.575 0.763 -3.451 1.00 0.00 N ATOM 368 CA HIS A 26 -8.425 0.712 -4.641 1.00 0.00 C ATOM 369 C HIS A 26 -7.711 0.006 -5.817 1.00 0.00 C ATOM 370 O HIS A 26 -7.420 0.616 -6.843 1.00 0.00 O ATOM 371 CB HIS A 26 -8.917 2.135 -4.994 1.00 0.00 C ATOM 372 CG HIS A 26 -9.343 2.970 -3.803 1.00 0.00 C ATOM 373 ND1 HIS A 26 -10.619 3.066 -3.299 1.00 0.00 N ATOM 374 CD2 HIS A 26 -8.536 3.768 -3.028 1.00 0.00 C ATOM 375 CE1 HIS A 26 -10.580 3.899 -2.246 1.00 0.00 C ATOM 376 NE2 HIS A 26 -9.328 4.338 -2.031 1.00 0.00 N ATOM 0 H HIS A 26 -7.921 0.194 -2.678 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.306 0.106 -4.428 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.121 2.660 -5.522 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.758 2.054 -5.683 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.477 3.926 -3.166 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.438 4.178 -1.653 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.019 4.963 -1.287 1.00 0.00 H new ATOM 383 N TYR A 27 -7.360 -1.276 -5.641 1.00 0.00 N ATOM 384 CA TYR A 27 -6.564 -2.113 -6.557 1.00 0.00 C ATOM 385 C TYR A 27 -5.094 -1.713 -6.694 1.00 0.00 C ATOM 386 O TYR A 27 -4.255 -2.573 -6.961 1.00 0.00 O ATOM 387 CB TYR A 27 -7.142 -2.231 -7.973 1.00 0.00 C ATOM 388 CG TYR A 27 -8.608 -2.605 -8.050 1.00 0.00 C ATOM 389 CD1 TYR A 27 -8.987 -3.956 -7.931 1.00 0.00 C ATOM 390 CD2 TYR A 27 -9.591 -1.618 -8.243 1.00 0.00 C ATOM 391 CE1 TYR A 27 -10.343 -4.317 -7.989 1.00 0.00 C ATOM 392 CE2 TYR A 27 -10.949 -1.981 -8.291 1.00 0.00 C ATOM 393 CZ TYR A 27 -11.324 -3.328 -8.154 1.00 0.00 C ATOM 394 OH TYR A 27 -12.637 -3.672 -8.196 1.00 0.00 O ATOM 0 H TYR A 27 -7.640 -1.789 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 27 -6.621 -3.079 -6.055 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.000 -1.279 -8.485 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.566 -2.976 -8.521 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.233 -4.717 -7.795 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.304 -0.583 -8.354 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -10.630 -5.355 -7.907 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.705 -1.223 -8.433 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.183 -2.867 -8.314 1.00 0.00 H new ATOM 403 N LYS A 28 -4.774 -0.423 -6.564 1.00 0.00 N ATOM 404 CA LYS A 28 -3.433 0.071 -6.806 1.00 0.00 C ATOM 405 C LYS A 28 -2.541 -0.268 -5.609 1.00 0.00 C ATOM 406 O LYS A 28 -3.038 -0.198 -4.491 1.00 0.00 O ATOM 407 CB LYS A 28 -3.482 1.556 -7.171 1.00 0.00 C ATOM 408 CG LYS A 28 -4.372 1.739 -8.409 1.00 0.00 C ATOM 409 CD LYS A 28 -4.035 3.059 -9.103 1.00 0.00 C ATOM 410 CE LYS A 28 -4.990 3.338 -10.273 1.00 0.00 C ATOM 411 NZ LYS A 28 -4.862 2.339 -11.356 1.00 0.00 N ATOM 0 H LYS A 28 -5.440 0.299 -6.289 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.980 -0.423 -7.665 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.875 2.136 -6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.477 1.927 -7.372 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.225 0.908 -9.099 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.422 1.730 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.092 3.875 -8.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.009 3.028 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.017 3.343 -9.907 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.789 4.332 -10.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.396 2.659 -12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.859 2.228 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.240 1.426 -11.032 1.00 0.00 H new ATOM 421 N VAL A 29 -1.281 -0.676 -5.822 1.00 0.00 N ATOM 422 CA VAL A 29 -0.335 -1.048 -4.755 1.00 0.00 C ATOM 423 C VAL A 29 0.562 0.144 -4.399 1.00 0.00 C ATOM 424 O VAL A 29 0.982 0.885 -5.292 1.00 0.00 O ATOM 425 CB VAL A 29 0.557 -2.248 -5.120 1.00 0.00 C ATOM 426 CG1 VAL A 29 1.427 -2.653 -3.921 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.247 -3.493 -5.453 1.00 0.00 C ATOM 0 H VAL A 29 -0.882 -0.759 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.947 -1.341 -3.902 1.00 0.00 H new ATOM 0 HB VAL A 29 1.141 -1.921 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.052 -3.503 -4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.061 -1.815 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.786 -2.929 -3.083 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.432 -4.308 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.853 -3.776 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.898 -3.289 -6.303 1.00 0.00 H new ATOM 437 N TYR A 30 0.882 0.299 -3.110 1.00 0.00 N ATOM 438 CA TYR A 30 1.492 1.448 -2.506 1.00 0.00 C ATOM 439 C TYR A 30 2.582 1.031 -1.516 1.00 0.00 C ATOM 440 O TYR A 30 2.244 0.396 -0.529 1.00 0.00 O ATOM 441 CB TYR A 30 0.312 2.039 -1.750 1.00 0.00 C ATOM 442 CG TYR A 30 -0.669 2.805 -2.590 1.00 0.00 C ATOM 443 CD1 TYR A 30 -1.740 2.100 -3.142 1.00 0.00 C ATOM 444 CD2 TYR A 30 -0.562 4.189 -2.786 1.00 0.00 C ATOM 445 CE1 TYR A 30 -2.740 2.775 -3.845 1.00 0.00 C ATOM 446 CE2 TYR A 30 -1.582 4.863 -3.480 1.00 0.00 C ATOM 447 CZ TYR A 30 -2.682 4.164 -3.985 1.00 0.00 C ATOM 448 OH TYR A 30 -3.683 4.844 -4.606 1.00 0.00 O ATOM 0 H TYR A 30 0.701 -0.438 -2.428 1.00 0.00 H new ATOM 0 HA TYR A 30 1.972 2.121 -3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.219 1.230 -1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.694 2.701 -0.973 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.795 1.028 -3.025 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.293 4.730 -2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.559 2.223 -4.281 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.515 5.931 -3.624 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.474 5.801 -4.611 1.00 0.00 H new ATOM 457 N ASP A 31 3.834 1.431 -1.756 1.00 0.00 N ATOM 458 CA ASP A 31 5.060 1.070 -1.013 1.00 0.00 C ATOM 459 C ASP A 31 5.570 2.274 -0.223 1.00 0.00 C ATOM 460 O ASP A 31 6.096 3.229 -0.798 1.00 0.00 O ATOM 461 CB ASP A 31 6.181 0.569 -1.934 1.00 0.00 C ATOM 462 CG ASP A 31 7.409 0.072 -1.155 1.00 0.00 C ATOM 463 OD1 ASP A 31 7.522 0.354 0.062 1.00 0.00 O ATOM 464 OD2 ASP A 31 8.194 -0.672 -1.781 1.00 0.00 O ATOM 0 H ASP A 31 4.040 2.062 -2.530 1.00 0.00 H new ATOM 0 HA ASP A 31 4.790 0.257 -0.339 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.800 -0.239 -2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.482 1.374 -2.604 1.00 0.00 H new ATOM 468 N LEU A 32 5.391 2.235 1.095 1.00 0.00 N ATOM 469 CA LEU A 32 5.527 3.437 1.915 1.00 0.00 C ATOM 470 C LEU A 32 6.784 3.479 2.771 1.00 0.00 C ATOM 471 O LEU A 32 7.499 4.477 2.735 1.00 0.00 O ATOM 472 CB LEU A 32 4.216 3.625 2.679 1.00 0.00 C ATOM 473 CG LEU A 32 3.053 3.355 1.713 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.735 3.819 2.269 1.00 0.00 C ATOM 475 CD2 LEU A 32 3.084 4.139 0.412 1.00 0.00 C ATOM 0 H LEU A 32 5.153 1.391 1.616 1.00 0.00 H new ATOM 0 HA LEU A 32 5.687 4.301 1.270 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.170 2.943 3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.151 4.637 3.078 1.00 0.00 H new ATOM 0 HG LEU A 32 3.159 2.281 1.560 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.943 3.607 1.551 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.529 3.295 3.202 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.777 4.892 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.218 3.872 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.059 5.207 0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.997 3.901 -0.134 1.00 0.00 H new ATOM 486 N THR A 33 7.032 2.408 3.524 1.00 0.00 N ATOM 487 CA THR A 33 8.252 2.032 4.253 1.00 0.00 C ATOM 488 C THR A 33 9.034 3.096 5.052 1.00 0.00 C ATOM 489 O THR A 33 9.336 2.871 6.216 1.00 0.00 O ATOM 490 CB THR A 33 9.145 1.243 3.283 1.00 0.00 C ATOM 491 OG1 THR A 33 8.347 0.306 2.571 1.00 0.00 O ATOM 492 CG2 THR A 33 10.205 0.466 4.067 1.00 0.00 C ATOM 0 H THR A 33 6.306 1.703 3.655 1.00 0.00 H new ATOM 0 HA THR A 33 7.896 1.437 5.094 1.00 0.00 H new ATOM 0 HB THR A 33 9.625 1.940 2.597 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.218 0.619 1.651 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.835 -0.091 3.373 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.820 1.163 4.636 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.716 -0.228 4.751 1.00 0.00 H new ATOM 500 N LYS A 34 9.397 4.232 4.462 1.00 0.00 N ATOM 501 CA LYS A 34 9.934 5.400 5.163 1.00 0.00 C ATOM 502 C LYS A 34 8.844 6.371 5.577 1.00 0.00 C ATOM 503 O LYS A 34 8.939 7.030 6.606 1.00 0.00 O ATOM 504 CB LYS A 34 10.889 6.136 4.220 1.00 0.00 C ATOM 505 CG LYS A 34 12.180 5.342 4.243 1.00 0.00 C ATOM 506 CD LYS A 34 13.244 5.940 3.315 1.00 0.00 C ATOM 507 CE LYS A 34 14.652 5.567 3.794 1.00 0.00 C ATOM 508 NZ LYS A 34 14.767 4.124 4.097 1.00 0.00 N ATOM 0 H LYS A 34 9.324 4.371 3.454 1.00 0.00 H new ATOM 0 HA LYS A 34 10.439 5.047 6.062 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.480 6.189 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.054 7.161 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.566 5.309 5.262 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.977 4.313 3.945 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.092 5.577 2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.140 7.025 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.379 5.836 3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.898 6.146 4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.770 3.870 4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.262 3.914 4.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.350 3.572 3.320 1.00 0.00 H new ATOM 518 N PHE A 35 7.787 6.449 4.773 1.00 0.00 N ATOM 519 CA PHE A 35 6.674 7.344 5.086 1.00 0.00 C ATOM 520 C PHE A 35 6.101 6.989 6.465 1.00 0.00 C ATOM 521 O PHE A 35 5.708 7.859 7.229 1.00 0.00 O ATOM 522 CB PHE A 35 5.657 7.353 3.949 1.00 0.00 C ATOM 523 CG PHE A 35 4.530 8.346 4.128 1.00 0.00 C ATOM 524 CD1 PHE A 35 4.817 9.716 4.281 1.00 0.00 C ATOM 525 CD2 PHE A 35 3.195 7.916 4.052 1.00 0.00 C ATOM 526 CE1 PHE A 35 3.774 10.656 4.322 1.00 0.00 C ATOM 527 CE2 PHE A 35 2.153 8.855 4.101 1.00 0.00 C ATOM 528 CZ PHE A 35 2.441 10.228 4.213 1.00 0.00 C ATOM 0 H PHE A 35 7.677 5.913 3.912 1.00 0.00 H new ATOM 0 HA PHE A 35 7.017 8.376 5.161 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.175 7.574 3.016 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.233 6.354 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.842 10.045 4.367 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.971 6.864 3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.997 11.706 4.437 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.127 8.523 4.053 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.639 10.951 4.215 1.00 0.00 H new ATOM 537 N LEU A 36 6.168 5.697 6.802 1.00 0.00 N ATOM 538 CA LEU A 36 6.007 5.122 8.133 1.00 0.00 C ATOM 539 C LEU A 36 6.525 6.066 9.238 1.00 0.00 C ATOM 540 O LEU A 36 5.798 6.390 10.175 1.00 0.00 O ATOM 541 CB LEU A 36 6.811 3.804 8.135 1.00 0.00 C ATOM 542 CG LEU A 36 6.333 2.718 7.162 1.00 0.00 C ATOM 543 CD1 LEU A 36 6.935 1.371 7.597 1.00 0.00 C ATOM 544 CD2 LEU A 36 4.822 2.511 7.165 1.00 0.00 C ATOM 0 H LEU A 36 6.349 4.979 6.100 1.00 0.00 H new ATOM 0 HA LEU A 36 4.951 4.956 8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.851 4.037 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.792 3.392 9.144 1.00 0.00 H new ATOM 0 HG LEU A 36 6.644 3.046 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.605 0.588 6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.023 1.435 7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.605 1.135 8.608 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.561 1.728 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.497 2.217 8.163 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.327 3.440 6.881 1.00 0.00 H new ATOM 555 N GLU A 37 7.776 6.523 9.105 1.00 0.00 N ATOM 556 CA GLU A 37 8.495 7.366 10.058 1.00 0.00 C ATOM 557 C GLU A 37 7.872 8.772 10.200 1.00 0.00 C ATOM 558 O GLU A 37 7.964 9.401 11.252 1.00 0.00 O ATOM 559 CB GLU A 37 9.956 7.492 9.577 1.00 0.00 C ATOM 560 CG GLU A 37 10.687 6.149 9.355 1.00 0.00 C ATOM 561 CD GLU A 37 12.076 6.320 8.739 1.00 0.00 C ATOM 562 OE1 GLU A 37 12.863 7.103 9.312 1.00 0.00 O ATOM 563 OE2 GLU A 37 12.338 5.664 7.704 1.00 0.00 O ATOM 0 H GLU A 37 8.341 6.301 8.285 1.00 0.00 H new ATOM 0 HA GLU A 37 8.437 6.898 11.041 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.968 8.054 8.643 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.515 8.076 10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.780 5.630 10.309 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.083 5.516 8.705 1.00 0.00 H new ATOM 568 N GLU A 38 7.284 9.277 9.111 1.00 0.00 N ATOM 569 CA GLU A 38 6.821 10.652 8.923 1.00 0.00 C ATOM 570 C GLU A 38 5.319 10.826 9.219 1.00 0.00 C ATOM 571 O GLU A 38 4.893 11.748 9.912 1.00 0.00 O ATOM 572 CB GLU A 38 7.135 10.990 7.453 1.00 0.00 C ATOM 573 CG GLU A 38 6.563 12.328 6.954 1.00 0.00 C ATOM 574 CD GLU A 38 6.748 12.532 5.453 1.00 0.00 C ATOM 575 OE1 GLU A 38 7.633 11.864 4.878 1.00 0.00 O ATOM 576 OE2 GLU A 38 5.963 13.331 4.899 1.00 0.00 O ATOM 0 H GLU A 38 7.109 8.700 8.288 1.00 0.00 H new ATOM 0 HA GLU A 38 7.322 11.322 9.622 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.217 11.004 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.749 10.190 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.501 12.375 7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.046 13.146 7.489 1.00 0.00 H new ATOM 581 N HIS A 39 4.512 9.946 8.632 1.00 0.00 N ATOM 582 CA HIS A 39 3.064 10.026 8.528 1.00 0.00 C ATOM 583 C HIS A 39 2.281 10.100 9.857 1.00 0.00 C ATOM 584 O HIS A 39 2.387 9.192 10.689 1.00 0.00 O ATOM 585 CB HIS A 39 2.637 8.805 7.716 1.00 0.00 C ATOM 586 CG HIS A 39 1.157 8.571 7.682 1.00 0.00 C ATOM 587 ND1 HIS A 39 0.506 7.642 8.451 1.00 0.00 N ATOM 588 CD2 HIS A 39 0.241 9.150 6.847 1.00 0.00 C ATOM 589 CE1 HIS A 39 -0.773 7.631 8.055 1.00 0.00 C ATOM 590 NE2 HIS A 39 -0.990 8.530 7.077 1.00 0.00 N ATOM 0 H HIS A 39 4.880 9.104 8.188 1.00 0.00 H new ATOM 0 HA HIS A 39 2.817 10.977 8.056 1.00 0.00 H new ATOM 0 HB2 HIS A 39 2.998 8.919 6.694 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.123 7.921 8.129 1.00 0.00 H new ATOM 0 HD1 HIS A 39 0.918 7.067 9.186 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.434 9.942 6.139 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.533 6.984 8.467 1.00 0.00 H new ATOM 597 N PRO A 40 1.397 11.108 10.028 1.00 0.00 N ATOM 598 CA PRO A 40 0.450 11.139 11.135 1.00 0.00 C ATOM 599 C PRO A 40 -0.484 9.935 10.981 1.00 0.00 C ATOM 600 O PRO A 40 -1.219 9.814 10.007 1.00 0.00 O ATOM 601 CB PRO A 40 -0.276 12.479 11.040 1.00 0.00 C ATOM 602 CG PRO A 40 -0.228 12.788 9.545 1.00 0.00 C ATOM 603 CD PRO A 40 1.097 12.180 9.087 1.00 0.00 C ATOM 0 HA PRO A 40 0.914 11.064 12.118 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.301 12.410 11.406 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.221 13.250 11.628 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.074 12.346 9.018 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.261 13.861 9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.018 11.795 8.070 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.889 12.929 9.084 1.00 0.00 H new ATOM 608 N GLY A 41 -0.391 9.014 11.936 1.00 0.00 N ATOM 609 CA GLY A 41 -0.942 7.665 11.855 1.00 0.00 C ATOM 610 C GLY A 41 0.052 6.703 12.517 1.00 0.00 C ATOM 611 O GLY A 41 -0.345 5.776 13.217 1.00 0.00 O ATOM 0 H GLY A 41 0.087 9.193 12.819 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.909 7.618 12.357 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.109 7.384 10.815 1.00 0.00 H new ATOM 615 N GLY A 42 1.355 6.950 12.314 1.00 0.00 N ATOM 616 CA GLY A 42 2.432 6.160 12.893 1.00 0.00 C ATOM 617 C GLY A 42 2.817 5.005 11.971 1.00 0.00 C ATOM 618 O GLY A 42 2.133 4.729 10.983 1.00 0.00 O ATOM 0 H GLY A 42 1.687 7.719 11.732 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.300 6.795 13.069 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.121 5.769 13.862 1.00 0.00 H new ATOM 622 N GLU A 43 3.902 4.300 12.297 1.00 0.00 N ATOM 623 CA GLU A 43 4.355 3.209 11.462 1.00 0.00 C ATOM 624 C GLU A 43 3.394 2.036 11.631 1.00 0.00 C ATOM 625 O GLU A 43 2.916 1.434 10.668 1.00 0.00 O ATOM 626 CB GLU A 43 5.761 2.738 11.882 1.00 0.00 C ATOM 627 CG GLU A 43 6.817 3.826 12.121 1.00 0.00 C ATOM 628 CD GLU A 43 8.161 3.215 12.499 1.00 0.00 C ATOM 629 OE1 GLU A 43 8.653 2.395 11.692 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.654 3.559 13.593 1.00 0.00 O ATOM 0 H GLU A 43 4.472 4.470 13.126 1.00 0.00 H new ATOM 0 HA GLU A 43 4.388 3.554 10.428 1.00 0.00 H new ATOM 0 HB2 GLU A 43 5.663 2.154 12.797 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.137 2.064 11.112 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.930 4.431 11.221 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.482 4.494 12.915 1.00 0.00 H new ATOM 635 N GLU A 44 3.091 1.731 12.896 1.00 0.00 N ATOM 636 CA GLU A 44 2.439 0.498 13.261 1.00 0.00 C ATOM 637 C GLU A 44 1.055 0.399 12.651 1.00 0.00 C ATOM 638 O GLU A 44 0.639 -0.674 12.243 1.00 0.00 O ATOM 639 CB GLU A 44 2.397 0.298 14.776 1.00 0.00 C ATOM 640 CG GLU A 44 3.798 0.344 15.405 1.00 0.00 C ATOM 641 CD GLU A 44 3.797 -0.208 16.823 1.00 0.00 C ATOM 642 OE1 GLU A 44 3.514 0.591 17.741 1.00 0.00 O ATOM 643 OE2 GLU A 44 4.061 -1.422 16.954 1.00 0.00 O ATOM 0 H GLU A 44 3.297 2.341 13.687 1.00 0.00 H new ATOM 0 HA GLU A 44 3.040 -0.313 12.848 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.773 1.070 15.226 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.930 -0.661 15.002 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.491 -0.231 14.791 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.159 1.373 15.415 1.00 0.00 H new ATOM 648 N HIS A 45 0.361 1.527 12.546 1.00 0.00 N ATOM 649 CA HIS A 45 -0.986 1.568 12.011 1.00 0.00 C ATOM 650 C HIS A 45 -1.031 1.421 10.486 1.00 0.00 C ATOM 651 O HIS A 45 -2.010 0.930 9.933 1.00 0.00 O ATOM 652 CB HIS A 45 -1.637 2.852 12.511 1.00 0.00 C ATOM 653 CG HIS A 45 -3.145 2.811 12.439 1.00 0.00 C ATOM 654 ND1 HIS A 45 -3.947 1.784 12.886 1.00 0.00 N ATOM 655 CD2 HIS A 45 -3.966 3.767 11.902 1.00 0.00 C ATOM 656 CE1 HIS A 45 -5.220 2.124 12.643 1.00 0.00 C ATOM 657 NE2 HIS A 45 -5.286 3.319 12.029 1.00 0.00 N ATOM 0 H HIS A 45 0.721 2.438 12.831 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.552 0.707 12.368 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.332 3.031 13.542 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.272 3.692 11.920 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.629 0.919 13.324 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.651 4.700 11.459 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.077 1.521 12.905 1.00 0.00 H new ATOM 664 N LEU A 46 0.049 1.789 9.792 1.00 0.00 N ATOM 665 CA LEU A 46 0.194 1.456 8.376 1.00 0.00 C ATOM 666 C LEU A 46 0.596 -0.016 8.254 1.00 0.00 C ATOM 667 O LEU A 46 0.108 -0.740 7.391 1.00 0.00 O ATOM 668 CB LEU A 46 1.250 2.369 7.735 1.00 0.00 C ATOM 669 CG LEU A 46 0.803 3.835 7.624 1.00 0.00 C ATOM 670 CD1 LEU A 46 2.003 4.722 7.297 1.00 0.00 C ATOM 671 CD2 LEU A 46 -0.218 4.017 6.502 1.00 0.00 C ATOM 0 H LEU A 46 0.830 2.314 10.186 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.750 1.611 7.853 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.167 2.320 8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.489 1.993 6.740 1.00 0.00 H new ATOM 0 HG LEU A 46 0.358 4.112 8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.678 5.760 7.220 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.748 4.633 8.088 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.441 4.407 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.516 5.064 6.447 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.226 3.716 5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.094 3.401 6.704 1.00 0.00 H new ATOM 682 N ARG A 47 1.469 -0.469 9.154 1.00 0.00 N ATOM 683 CA ARG A 47 2.069 -1.800 9.145 1.00 0.00 C ATOM 684 C ARG A 47 1.004 -2.872 9.387 1.00 0.00 C ATOM 685 O ARG A 47 0.959 -3.903 8.723 1.00 0.00 O ATOM 686 CB ARG A 47 3.156 -1.776 10.220 1.00 0.00 C ATOM 687 CG ARG A 47 4.173 -2.917 10.182 1.00 0.00 C ATOM 688 CD ARG A 47 3.573 -4.200 10.756 1.00 0.00 C ATOM 689 NE ARG A 47 4.575 -4.927 11.558 1.00 0.00 N ATOM 690 CZ ARG A 47 5.268 -6.011 11.197 1.00 0.00 C ATOM 691 NH1 ARG A 47 5.043 -6.643 10.061 1.00 0.00 N ATOM 692 NH2 ARG A 47 6.245 -6.482 11.960 1.00 0.00 N ATOM 0 H ARG A 47 1.788 0.102 9.936 1.00 0.00 H new ATOM 0 HA ARG A 47 2.509 -2.052 8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.697 -0.833 10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.672 -1.782 11.196 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.495 -3.089 9.155 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.060 -2.639 10.752 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.709 -3.959 11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.217 -4.836 9.946 1.00 0.00 H new ATOM 0 HE ARG A 47 4.759 -4.562 12.492 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.320 -6.307 9.425 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.592 -7.468 9.819 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.477 -6.016 12.837 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.764 -7.311 11.670 1.00 0.00 H new ATOM 703 N GLU A 48 0.132 -2.569 10.341 1.00 0.00 N ATOM 704 CA GLU A 48 -1.129 -3.234 10.650 1.00 0.00 C ATOM 705 C GLU A 48 -1.915 -3.583 9.377 1.00 0.00 C ATOM 706 O GLU A 48 -2.321 -4.726 9.180 1.00 0.00 O ATOM 707 CB GLU A 48 -1.918 -2.240 11.509 1.00 0.00 C ATOM 708 CG GLU A 48 -3.367 -2.625 11.844 1.00 0.00 C ATOM 709 CD GLU A 48 -4.160 -1.378 12.209 1.00 0.00 C ATOM 710 OE1 GLU A 48 -3.899 -0.836 13.306 1.00 0.00 O ATOM 711 OE2 GLU A 48 -4.965 -0.946 11.354 1.00 0.00 O ATOM 0 H GLU A 48 0.303 -1.786 10.972 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.955 -4.178 11.166 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.378 -2.094 12.445 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.930 -1.279 10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.827 -3.123 10.991 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.383 -3.333 12.673 1.00 0.00 H new ATOM 716 N GLN A 49 -2.133 -2.582 8.517 1.00 0.00 N ATOM 717 CA GLN A 49 -2.861 -2.751 7.263 1.00 0.00 C ATOM 718 C GLN A 49 -1.987 -3.437 6.202 1.00 0.00 C ATOM 719 O GLN A 49 -2.481 -4.159 5.344 1.00 0.00 O ATOM 720 CB GLN A 49 -3.282 -1.382 6.721 1.00 0.00 C ATOM 721 CG GLN A 49 -4.226 -0.537 7.585 1.00 0.00 C ATOM 722 CD GLN A 49 -5.627 -1.115 7.731 1.00 0.00 C ATOM 723 OE1 GLN A 49 -6.339 -1.285 6.751 1.00 0.00 O ATOM 724 NE2 GLN A 49 -6.085 -1.365 8.949 1.00 0.00 N ATOM 0 H GLN A 49 -1.806 -1.629 8.676 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.734 -3.371 7.467 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.379 -0.799 6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.759 -1.536 5.753 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.788 -0.423 8.576 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.300 0.461 7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.483 -1.220 9.760 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.039 -1.702 9.076 1.00 0.00 H new ATOM 731 N ALA A 50 -0.686 -3.136 6.217 1.00 0.00 N ATOM 732 CA ALA A 50 0.257 -3.505 5.175 1.00 0.00 C ATOM 733 C ALA A 50 0.303 -5.004 4.838 1.00 0.00 C ATOM 734 O ALA A 50 -0.128 -5.887 5.576 1.00 0.00 O ATOM 735 CB ALA A 50 1.660 -3.075 5.605 1.00 0.00 C ATOM 0 H ALA A 50 -0.254 -2.614 6.979 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.088 -2.996 4.275 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.377 -3.347 4.831 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.680 -1.996 5.755 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.925 -3.576 6.536 1.00 0.00 H new ATOM 741 N GLY A 51 0.919 -5.264 3.692 1.00 0.00 N ATOM 742 CA GLY A 51 0.933 -6.547 3.001 1.00 0.00 C ATOM 743 C GLY A 51 -0.287 -6.720 2.095 1.00 0.00 C ATOM 744 O GLY A 51 -0.727 -7.841 1.838 1.00 0.00 O ATOM 0 H GLY A 51 1.449 -4.549 3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.842 -6.629 2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.959 -7.354 3.734 1.00 0.00 H new ATOM 748 N GLY A 52 -0.800 -5.593 1.592 1.00 0.00 N ATOM 749 CA GLY A 52 -1.974 -5.508 0.734 1.00 0.00 C ATOM 750 C GLY A 52 -3.263 -5.140 1.475 1.00 0.00 C ATOM 751 O GLY A 52 -3.545 -5.654 2.552 1.00 0.00 O ATOM 0 H GLY A 52 -0.387 -4.680 1.783 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.790 -4.767 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.116 -6.466 0.234 1.00 0.00 H new ATOM 755 N ASP A 53 -4.028 -4.252 0.840 1.00 0.00 N ATOM 756 CA ASP A 53 -5.270 -3.640 1.296 1.00 0.00 C ATOM 757 C ASP A 53 -5.133 -2.748 2.537 1.00 0.00 C ATOM 758 O ASP A 53 -4.870 -3.190 3.651 1.00 0.00 O ATOM 759 CB ASP A 53 -6.440 -4.621 1.356 1.00 0.00 C ATOM 760 CG ASP A 53 -7.773 -3.890 1.566 1.00 0.00 C ATOM 761 OD1 ASP A 53 -7.778 -2.632 1.576 1.00 0.00 O ATOM 762 OD2 ASP A 53 -8.783 -4.613 1.683 1.00 0.00 O ATOM 0 H ASP A 53 -3.769 -3.915 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.528 -2.933 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.481 -5.198 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.281 -5.331 2.168 1.00 0.00 H new ATOM 766 N ALA A 54 -5.329 -1.455 2.304 1.00 0.00 N ATOM 767 CA ALA A 54 -5.495 -0.466 3.355 1.00 0.00 C ATOM 768 C ALA A 54 -6.521 0.564 2.908 1.00 0.00 C ATOM 769 O ALA A 54 -6.507 1.703 3.367 1.00 0.00 O ATOM 770 CB ALA A 54 -4.124 0.105 3.705 1.00 0.00 C ATOM 0 H ALA A 54 -5.377 -1.062 1.364 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.890 -0.898 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.231 0.850 4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.473 -0.698 4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.688 0.571 2.822 1.00 0.00 H new ATOM 776 N THR A 55 -7.437 0.153 2.025 1.00 0.00 N ATOM 777 CA THR A 55 -8.450 1.030 1.462 1.00 0.00 C ATOM 778 C THR A 55 -9.389 1.508 2.558 1.00 0.00 C ATOM 779 O THR A 55 -9.579 2.710 2.730 1.00 0.00 O ATOM 780 CB THR A 55 -9.214 0.285 0.363 1.00 0.00 C ATOM 781 OG1 THR A 55 -8.514 0.343 -0.855 1.00 0.00 O ATOM 782 CG2 THR A 55 -10.525 0.988 0.047 1.00 0.00 C ATOM 0 H THR A 55 -7.490 -0.806 1.683 1.00 0.00 H new ATOM 0 HA THR A 55 -7.976 1.906 1.020 1.00 0.00 H new ATOM 0 HB THR A 55 -9.352 -0.732 0.729 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.916 -0.430 -0.926 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.051 0.442 -0.736 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.144 1.023 0.943 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.321 2.003 -0.293 1.00 0.00 H new ATOM 790 N GLU A 56 -9.973 0.564 3.300 1.00 0.00 N ATOM 791 CA GLU A 56 -10.936 0.887 4.338 1.00 0.00 C ATOM 792 C GLU A 56 -10.352 1.893 5.331 1.00 0.00 C ATOM 793 O GLU A 56 -10.917 2.966 5.529 1.00 0.00 O ATOM 794 CB GLU A 56 -11.429 -0.410 4.991 1.00 0.00 C ATOM 795 CG GLU A 56 -12.570 -0.139 5.984 1.00 0.00 C ATOM 796 CD GLU A 56 -13.190 -1.428 6.506 1.00 0.00 C ATOM 797 OE1 GLU A 56 -12.610 -1.989 7.459 1.00 0.00 O ATOM 798 OE2 GLU A 56 -14.224 -1.830 5.932 1.00 0.00 O ATOM 0 H GLU A 56 -9.790 -0.434 3.195 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.806 1.381 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.772 -1.100 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.602 -0.896 5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.190 0.446 6.822 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.338 0.462 5.498 1.00 0.00 H new ATOM 803 N ASN A 57 -9.162 1.613 5.872 1.00 0.00 N ATOM 804 CA ASN A 57 -8.524 2.560 6.785 1.00 0.00 C ATOM 805 C ASN A 57 -8.174 3.873 6.047 1.00 0.00 C ATOM 806 O ASN A 57 -8.408 4.968 6.553 1.00 0.00 O ATOM 807 CB ASN A 57 -7.334 1.909 7.512 1.00 0.00 C ATOM 808 CG ASN A 57 -7.001 2.647 8.810 1.00 0.00 C ATOM 809 OD1 ASN A 57 -7.064 3.866 8.888 1.00 0.00 O ATOM 810 ND2 ASN A 57 -6.600 1.932 9.848 1.00 0.00 N ATOM 0 H ASN A 57 -8.633 0.758 5.698 1.00 0.00 H new ATOM 0 HA ASN A 57 -9.227 2.837 7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.567 0.867 7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.462 1.909 6.858 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.342 2.397 10.718 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.549 0.916 9.778 1.00 0.00 H new ATOM 816 N PHE A 58 -7.683 3.788 4.803 1.00 0.00 N ATOM 817 CA PHE A 58 -7.409 4.986 3.994 1.00 0.00 C ATOM 818 C PHE A 58 -8.631 5.884 3.687 1.00 0.00 C ATOM 819 O PHE A 58 -8.420 7.032 3.287 1.00 0.00 O ATOM 820 CB PHE A 58 -6.690 4.571 2.706 1.00 0.00 C ATOM 821 CG PHE A 58 -6.224 5.689 1.790 1.00 0.00 C ATOM 822 CD1 PHE A 58 -5.202 6.559 2.214 1.00 0.00 C ATOM 823 CD2 PHE A 58 -6.665 5.737 0.453 1.00 0.00 C ATOM 824 CE1 PHE A 58 -4.610 7.455 1.307 1.00 0.00 C ATOM 825 CE2 PHE A 58 -6.027 6.585 -0.470 1.00 0.00 C ATOM 826 CZ PHE A 58 -4.989 7.435 -0.046 1.00 0.00 C ATOM 0 H PHE A 58 -7.468 2.907 4.336 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.771 5.621 4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.821 3.972 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.358 3.923 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.871 6.538 3.242 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.494 5.122 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.865 8.158 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.334 6.584 -1.505 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.485 8.071 -0.759 1.00 0.00 H new ATOM 835 N GLU A 59 -9.868 5.393 3.855 1.00 0.00 N ATOM 836 CA GLU A 59 -11.145 6.047 3.543 1.00 0.00 C ATOM 837 C GLU A 59 -11.989 6.385 4.796 1.00 0.00 C ATOM 838 O GLU A 59 -12.639 7.425 4.802 1.00 0.00 O ATOM 839 CB GLU A 59 -11.942 5.146 2.587 1.00 0.00 C ATOM 840 CG GLU A 59 -11.384 5.132 1.151 1.00 0.00 C ATOM 841 CD GLU A 59 -11.945 6.236 0.255 1.00 0.00 C ATOM 842 OE1 GLU A 59 -11.336 7.331 0.237 1.00 0.00 O ATOM 843 OE2 GLU A 59 -12.946 5.958 -0.435 1.00 0.00 O ATOM 0 H GLU A 59 -10.011 4.460 4.241 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.917 7.004 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.946 4.128 2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.979 5.482 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.299 5.228 1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.601 4.165 0.697 1.00 0.00 H new ATOM 848 N ASP A 60 -11.994 5.527 5.828 1.00 0.00 N ATOM 849 CA ASP A 60 -12.709 5.684 7.105 1.00 0.00 C ATOM 850 C ASP A 60 -12.390 7.043 7.764 1.00 0.00 C ATOM 851 O ASP A 60 -13.108 8.021 7.563 1.00 0.00 O ATOM 852 CB ASP A 60 -12.338 4.462 7.964 1.00 0.00 C ATOM 853 CG ASP A 60 -12.699 4.631 9.428 1.00 0.00 C ATOM 854 OD1 ASP A 60 -13.881 4.417 9.763 1.00 0.00 O ATOM 855 OD2 ASP A 60 -11.766 5.018 10.165 1.00 0.00 O ATOM 0 H ASP A 60 -11.468 4.654 5.792 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.790 5.707 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.845 3.581 7.570 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.267 4.277 7.879 1.00 0.00 H new ATOM 859 N VAL A 61 -11.299 7.124 8.535 1.00 0.00 N ATOM 860 CA VAL A 61 -10.715 8.400 8.959 1.00 0.00 C ATOM 861 C VAL A 61 -10.499 9.270 7.709 1.00 0.00 C ATOM 862 O VAL A 61 -10.732 10.478 7.717 1.00 0.00 O ATOM 863 CB VAL A 61 -9.414 8.155 9.743 1.00 0.00 C ATOM 864 CG1 VAL A 61 -8.379 7.325 8.968 1.00 0.00 C ATOM 865 CG2 VAL A 61 -8.783 9.485 10.174 1.00 0.00 C ATOM 0 H VAL A 61 -10.797 6.307 8.882 1.00 0.00 H new ATOM 0 HA VAL A 61 -11.386 8.930 9.635 1.00 0.00 H new ATOM 0 HB VAL A 61 -9.700 7.574 10.619 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.487 7.191 9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.802 6.350 8.725 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.112 7.844 8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.864 9.290 10.727 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.555 10.083 9.291 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.481 10.029 10.810 1.00 0.00 H new ATOM 875 N GLY A 62 -10.101 8.609 6.617 1.00 0.00 N ATOM 876 CA GLY A 62 -10.057 9.166 5.280 1.00 0.00 C ATOM 877 C GLY A 62 -8.951 10.201 5.074 1.00 0.00 C ATOM 878 O GLY A 62 -8.152 10.462 5.972 1.00 0.00 O ATOM 0 H GLY A 62 -9.792 7.638 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.920 8.356 4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.019 9.628 5.058 1.00 0.00 H new ATOM 882 N HIS A 63 -8.859 10.730 3.850 1.00 0.00 N ATOM 883 CA HIS A 63 -7.703 11.506 3.408 1.00 0.00 C ATOM 884 CB HIS A 63 -6.721 10.518 2.778 1.00 0.00 C ATOM 885 CG HIS A 63 -5.968 9.700 3.780 1.00 0.00 C ATOM 886 ND1 HIS A 63 -6.431 8.590 4.442 1.00 0.00 N ATOM 887 CD2 HIS A 63 -4.719 9.979 4.246 1.00 0.00 C ATOM 888 CE1 HIS A 63 -5.480 8.215 5.309 1.00 0.00 C ATOM 889 NE2 HIS A 63 -4.400 9.011 5.199 1.00 0.00 N ATOM 0 H HIS A 63 -9.585 10.631 3.140 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.268 9.850 2.113 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.010 11.068 2.162 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -7.333 8.135 4.300 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.090 10.800 3.935 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.568 7.389 6.000 1.00 0.00 H new ATOM 896 N SER A 64 -7.311 13.700 2.421 1.00 0.00 N ATOM 897 CA SER A 64 -7.470 14.830 1.508 1.00 0.00 C ATOM 898 C SER A 64 -7.003 14.511 0.077 1.00 0.00 C ATOM 899 O SER A 64 -6.236 13.575 -0.154 1.00 0.00 O ATOM 900 CB SER A 64 -6.708 16.036 2.072 1.00 0.00 C ATOM 901 OG SER A 64 -7.254 16.403 3.323 1.00 0.00 O ATOM 0 HA SER A 64 -8.534 15.057 1.435 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.652 15.791 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.769 16.874 1.378 1.00 0.00 H new ATOM 0 HG SER A 64 -6.544 16.417 3.998 1.00 0.00 H new ATOM 906 N THR A 65 -7.435 15.327 -0.893 1.00 0.00 N ATOM 907 CA THR A 65 -6.960 15.270 -2.282 1.00 0.00 C ATOM 908 C THR A 65 -5.439 15.182 -2.322 1.00 0.00 C ATOM 909 O THR A 65 -4.879 14.206 -2.799 1.00 0.00 O ATOM 910 CB THR A 65 -7.464 16.490 -3.078 1.00 0.00 C ATOM 911 OG1 THR A 65 -6.927 17.731 -2.641 1.00 0.00 O ATOM 912 CG2 THR A 65 -8.990 16.599 -3.055 1.00 0.00 C ATOM 0 H THR A 65 -8.132 16.054 -0.734 1.00 0.00 H new ATOM 0 HA THR A 65 -7.364 14.372 -2.750 1.00 0.00 H new ATOM 0 HB THR A 65 -7.110 16.305 -4.092 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.290 18.456 -3.191 1.00 0.00 H new ATOM 0 HG21 THR A 65 -9.301 17.472 -3.628 1.00 0.00 H new ATOM 0 HG22 THR A 65 -9.426 15.702 -3.495 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.332 16.700 -2.025 1.00 0.00 H new ATOM 920 N ASP A 66 -4.804 16.171 -1.716 1.00 0.00 N ATOM 921 CA ASP A 66 -3.414 16.335 -1.349 1.00 0.00 C ATOM 922 C ASP A 66 -2.708 14.982 -1.137 1.00 0.00 C ATOM 923 O ASP A 66 -1.702 14.679 -1.773 1.00 0.00 O ATOM 924 CB ASP A 66 -3.435 17.193 -0.067 1.00 0.00 C ATOM 925 CG ASP A 66 -4.338 18.428 -0.157 1.00 0.00 C ATOM 926 OD1 ASP A 66 -5.569 18.221 -0.318 1.00 0.00 O ATOM 927 OD2 ASP A 66 -3.782 19.541 -0.073 1.00 0.00 O ATOM 0 H ASP A 66 -5.334 16.995 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.842 16.818 -2.141 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.766 16.574 0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.418 17.515 0.159 1.00 0.00 H new ATOM 931 N ALA A 67 -3.275 14.140 -0.270 1.00 0.00 N ATOM 932 CA ALA A 67 -2.771 12.803 0.016 1.00 0.00 C ATOM 933 C ALA A 67 -2.935 11.836 -1.174 1.00 0.00 C ATOM 934 O ALA A 67 -2.008 11.112 -1.533 1.00 0.00 O ATOM 935 CB ALA A 67 -3.477 12.280 1.271 1.00 0.00 C ATOM 0 H ALA A 67 -4.113 14.377 0.261 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.697 12.863 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.113 11.279 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.269 12.945 2.109 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.552 12.244 1.095 1.00 0.00 H new ATOM 941 N ARG A 68 -4.104 11.818 -1.815 1.00 0.00 N ATOM 942 CA ARG A 68 -4.374 10.997 -3.001 1.00 0.00 C ATOM 943 C ARG A 68 -3.474 11.400 -4.191 1.00 0.00 C ATOM 944 O ARG A 68 -3.047 10.561 -4.995 1.00 0.00 O ATOM 945 CB ARG A 68 -5.878 11.074 -3.338 1.00 0.00 C ATOM 946 CG ARG A 68 -6.729 10.041 -2.571 1.00 0.00 C ATOM 947 CD ARG A 68 -7.086 10.490 -1.144 1.00 0.00 C ATOM 948 NE ARG A 68 -7.473 9.354 -0.282 1.00 0.00 N ATOM 949 CZ ARG A 68 -8.677 8.792 -0.113 1.00 0.00 C ATOM 950 NH1 ARG A 68 -9.716 9.075 -0.881 1.00 0.00 N ATOM 951 NH2 ARG A 68 -8.887 7.912 0.850 1.00 0.00 N ATOM 0 H ARG A 68 -4.903 12.381 -1.523 1.00 0.00 H new ATOM 0 HA ARG A 68 -4.125 9.958 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.243 12.076 -3.111 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.012 10.921 -4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.648 9.853 -3.126 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.186 9.097 -2.523 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.232 11.005 -0.703 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.905 11.208 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.716 8.939 0.261 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.620 9.748 -1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.613 8.620 -0.713 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.126 7.652 1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.810 7.493 0.966 1.00 0.00 H new ATOM 962 N GLU A 69 -3.129 12.682 -4.271 1.00 0.00 N ATOM 963 CA GLU A 69 -2.179 13.236 -5.219 1.00 0.00 C ATOM 964 C GLU A 69 -0.739 12.885 -4.854 1.00 0.00 C ATOM 965 O GLU A 69 0.022 12.422 -5.701 1.00 0.00 O ATOM 966 CB GLU A 69 -2.428 14.739 -5.340 1.00 0.00 C ATOM 967 CG GLU A 69 -3.835 15.024 -5.892 1.00 0.00 C ATOM 968 CD GLU A 69 -4.210 14.163 -7.091 1.00 0.00 C ATOM 969 OE1 GLU A 69 -3.676 14.418 -8.188 1.00 0.00 O ATOM 970 OE2 GLU A 69 -4.920 13.152 -6.882 1.00 0.00 O ATOM 0 H GLU A 69 -3.522 13.389 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.331 12.787 -6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.315 15.209 -4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.680 15.183 -5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.566 14.864 -5.099 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.898 16.074 -6.177 1.00 0.00 H new ATOM 975 N LEU A 70 -0.387 13.013 -3.576 1.00 0.00 N ATOM 976 CA LEU A 70 0.892 12.520 -3.074 1.00 0.00 C ATOM 977 C LEU A 70 1.084 11.061 -3.452 1.00 0.00 C ATOM 978 O LEU A 70 2.121 10.650 -3.963 1.00 0.00 O ATOM 979 CB LEU A 70 1.017 12.602 -1.533 1.00 0.00 C ATOM 980 CG LEU A 70 2.420 12.197 -1.034 1.00 0.00 C ATOM 981 CD1 LEU A 70 3.567 12.643 -1.935 1.00 0.00 C ATOM 982 CD2 LEU A 70 2.727 12.759 0.353 1.00 0.00 C ATOM 0 H LEU A 70 -0.973 13.456 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 70 1.647 13.162 -3.528 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.798 13.619 -1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.270 11.953 -1.076 1.00 0.00 H new ATOM 0 HG LEU A 70 2.368 11.108 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.514 12.315 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.445 12.203 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.563 13.730 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.725 12.446 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.681 13.848 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.994 12.385 1.068 1.00 0.00 H new ATOM 993 N SER A 71 0.054 10.253 -3.222 1.00 0.00 N ATOM 994 CA SER A 71 0.224 8.832 -3.221 1.00 0.00 C ATOM 995 C SER A 71 0.634 8.234 -4.562 1.00 0.00 C ATOM 996 O SER A 71 1.170 7.133 -4.604 1.00 0.00 O ATOM 997 CB SER A 71 -1.051 8.215 -2.656 1.00 0.00 C ATOM 998 OG SER A 71 -2.086 8.220 -3.631 1.00 0.00 O ATOM 0 H SER A 71 -0.897 10.571 -3.036 1.00 0.00 H new ATOM 0 HA SER A 71 1.077 8.588 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.854 7.193 -2.333 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.371 8.772 -1.775 1.00 0.00 H new ATOM 0 HG SER A 71 -2.222 9.133 -3.959 1.00 0.00 H new ATOM 1003 N LYS A 72 0.497 8.991 -5.650 1.00 0.00 N ATOM 1004 CA LYS A 72 1.063 8.581 -6.937 1.00 0.00 C ATOM 1005 C LYS A 72 2.592 8.373 -6.853 1.00 0.00 C ATOM 1006 O LYS A 72 3.141 7.523 -7.546 1.00 0.00 O ATOM 1007 CB LYS A 72 0.639 9.554 -8.046 1.00 0.00 C ATOM 1008 CG LYS A 72 -0.830 9.947 -7.856 1.00 0.00 C ATOM 1009 CD LYS A 72 -1.439 10.596 -9.103 1.00 0.00 C ATOM 1010 CE LYS A 72 -2.528 11.616 -8.737 1.00 0.00 C ATOM 1011 NZ LYS A 72 -3.521 11.106 -7.758 1.00 0.00 N ATOM 0 H LYS A 72 0.004 9.884 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 72 0.654 7.606 -7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.269 10.443 -8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.778 9.090 -9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.407 9.060 -7.595 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.911 10.638 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.655 11.091 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.864 9.824 -9.745 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.054 12.509 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.049 11.919 -9.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.270 11.814 -7.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.939 10.223 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.050 10.923 -6.849 1.00 0.00 H new ATOM 1021 N THR A 73 3.259 9.099 -5.947 1.00 0.00 N ATOM 1022 CA THR A 73 4.672 8.896 -5.572 1.00 0.00 C ATOM 1023 C THR A 73 4.924 7.668 -4.690 1.00 0.00 C ATOM 1024 O THR A 73 6.029 7.136 -4.638 1.00 0.00 O ATOM 1025 CB THR A 73 5.250 10.168 -4.910 1.00 0.00 C ATOM 1026 OG1 THR A 73 6.565 10.375 -5.376 1.00 0.00 O ATOM 1027 CG2 THR A 73 5.317 10.125 -3.373 1.00 0.00 C ATOM 0 H THR A 73 2.822 9.867 -5.438 1.00 0.00 H new ATOM 0 HA THR A 73 5.195 8.697 -6.507 1.00 0.00 H new ATOM 0 HB THR A 73 4.564 10.970 -5.183 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.936 11.181 -4.961 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.736 11.060 -3.001 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.314 9.990 -2.969 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.949 9.294 -3.059 1.00 0.00 H new ATOM 1035 N PHE A 74 3.892 7.229 -3.972 1.00 0.00 N ATOM 1036 CA PHE A 74 3.921 6.080 -3.076 1.00 0.00 C ATOM 1037 C PHE A 74 3.550 4.803 -3.816 1.00 0.00 C ATOM 1038 O PHE A 74 3.892 3.703 -3.393 1.00 0.00 O ATOM 1039 CB PHE A 74 2.959 6.357 -1.932 1.00 0.00 C ATOM 1040 CG PHE A 74 3.479 7.291 -0.850 1.00 0.00 C ATOM 1041 CD1 PHE A 74 4.830 7.294 -0.433 1.00 0.00 C ATOM 1042 CD2 PHE A 74 2.567 8.143 -0.211 1.00 0.00 C ATOM 1043 CE1 PHE A 74 5.295 8.294 0.440 1.00 0.00 C ATOM 1044 CE2 PHE A 74 3.019 9.084 0.723 1.00 0.00 C ATOM 1045 CZ PHE A 74 4.389 9.232 0.959 1.00 0.00 C ATOM 0 H PHE A 74 2.979 7.683 -4.001 1.00 0.00 H new ATOM 0 HA PHE A 74 4.928 5.932 -2.685 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.044 6.782 -2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.690 5.408 -1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.505 6.528 -0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.514 8.074 -0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.340 8.340 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.309 9.695 1.261 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.750 10.068 1.540 1.00 0.00 H new ATOM 1054 N ILE A 75 2.808 4.948 -4.905 1.00 0.00 N ATOM 1055 CA ILE A 75 2.381 3.841 -5.727 1.00 0.00 C ATOM 1056 C ILE A 75 3.541 3.128 -6.406 1.00 0.00 C ATOM 1057 O ILE A 75 4.564 3.719 -6.744 1.00 0.00 O ATOM 1058 CB ILE A 75 1.406 4.383 -6.788 1.00 0.00 C ATOM 1059 CG1 ILE A 75 0.023 4.350 -6.153 1.00 0.00 C ATOM 1060 CG2 ILE A 75 1.426 3.682 -8.154 1.00 0.00 C ATOM 1061 CD1 ILE A 75 -1.071 4.703 -7.140 1.00 0.00 C ATOM 0 H ILE A 75 2.484 5.855 -5.241 1.00 0.00 H new ATOM 0 HA ILE A 75 1.899 3.103 -5.085 1.00 0.00 H new ATOM 0 HB ILE A 75 1.725 5.392 -7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.164 3.356 -5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.007 5.048 -5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.698 4.152 -8.815 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.421 3.766 -8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.174 2.629 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.039 4.666 -6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.901 5.708 -7.527 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.061 3.990 -7.964 1.00 0.00 H new ATOM 1072 N ILE A 76 3.300 1.849 -6.682 1.00 0.00 N ATOM 1073 CA ILE A 76 4.137 1.026 -7.544 1.00 0.00 C ATOM 1074 C ILE A 76 3.348 0.443 -8.733 1.00 0.00 C ATOM 1075 O ILE A 76 3.922 0.197 -9.791 1.00 0.00 O ATOM 1076 CB ILE A 76 4.850 -0.043 -6.712 1.00 0.00 C ATOM 1077 CG1 ILE A 76 3.817 -0.933 -6.015 1.00 0.00 C ATOM 1078 CG2 ILE A 76 5.791 0.616 -5.690 1.00 0.00 C ATOM 1079 CD1 ILE A 76 4.518 -2.045 -5.233 1.00 0.00 C ATOM 0 H ILE A 76 2.498 1.346 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 76 4.903 1.657 -7.993 1.00 0.00 H new ATOM 0 HB ILE A 76 5.454 -0.667 -7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.206 -0.333 -5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.143 -1.367 -6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.291 -0.156 -5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.536 1.214 -6.214 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.213 1.258 -5.025 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.772 -2.670 -4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.109 -2.654 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.173 -1.604 -4.482 1.00 0.00 H new ATOM 1090 N GLY A 77 2.027 0.242 -8.593 1.00 0.00 N ATOM 1091 CA GLY A 77 1.170 -0.182 -9.698 1.00 0.00 C ATOM 1092 C GLY A 77 -0.172 -0.743 -9.227 1.00 0.00 C ATOM 1093 O GLY A 77 -0.864 -0.048 -8.493 1.00 0.00 O ATOM 0 H GLY A 77 1.530 0.370 -7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.992 0.666 -10.359 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.690 -0.940 -10.284 1.00 0.00 H new ATOM 1097 N GLU A 78 -0.533 -1.976 -9.618 1.00 0.00 N ATOM 1098 CA GLU A 78 -1.751 -2.663 -9.166 1.00 0.00 C ATOM 1099 C GLU A 78 -1.492 -4.060 -8.609 1.00 0.00 C ATOM 1100 O GLU A 78 -0.496 -4.707 -8.930 1.00 0.00 O ATOM 1101 CB GLU A 78 -2.799 -2.790 -10.276 1.00 0.00 C ATOM 1102 CG GLU A 78 -3.126 -1.470 -10.992 1.00 0.00 C ATOM 1103 CD GLU A 78 -4.592 -1.361 -11.392 1.00 0.00 C ATOM 1104 OE1 GLU A 78 -5.205 -2.422 -11.659 1.00 0.00 O ATOM 1105 OE2 GLU A 78 -5.081 -0.212 -11.392 1.00 0.00 O ATOM 0 H GLU A 78 0.023 -2.531 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.128 -2.026 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.445 -3.511 -11.013 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.716 -3.195 -9.849 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -2.869 -0.635 -10.340 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.504 -1.382 -11.883 1.00 0.00 H new ATOM 1110 N LEU A 79 -2.472 -4.580 -7.866 1.00 0.00 N ATOM 1111 CA LEU A 79 -2.437 -5.909 -7.262 1.00 0.00 C ATOM 1112 C LEU A 79 -2.495 -7.077 -8.209 1.00 0.00 C ATOM 1113 O LEU A 79 -2.657 -8.181 -7.725 1.00 0.00 O ATOM 1114 CB LEU A 79 -3.490 -5.998 -6.141 1.00 0.00 C ATOM 1115 CG LEU A 79 -4.797 -6.766 -6.474 1.00 0.00 C ATOM 1116 CD1 LEU A 79 -4.861 -7.966 -5.536 1.00 0.00 C ATOM 1117 CD2 LEU A 79 -6.021 -5.877 -6.261 1.00 0.00 C ATOM 0 H LEU A 79 -3.334 -4.073 -7.664 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.437 -6.011 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.027 -6.473 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.757 -4.984 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.796 -7.078 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.768 -8.536 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.990 -8.601 -5.698 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.871 -7.620 -4.502 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.924 -6.438 -6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.060 -5.554 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.953 -5.003 -6.909 1.00 0.00 H new ATOM 1128 N HIS A 80 -2.334 -6.825 -9.508 1.00 0.00 N ATOM 1129 CA HIS A 80 -2.431 -7.767 -10.604 1.00 0.00 C ATOM 1130 C HIS A 80 -3.872 -8.110 -10.936 1.00 0.00 C ATOM 1131 O HIS A 80 -4.766 -8.025 -10.089 1.00 0.00 O ATOM 1132 CB HIS A 80 -1.619 -9.015 -10.289 1.00 0.00 C ATOM 1133 CG HIS A 80 -1.420 -10.014 -11.370 1.00 0.00 C ATOM 1134 ND1 HIS A 80 -1.811 -11.325 -11.397 1.00 0.00 N ATOM 1135 CD2 HIS A 80 -0.533 -9.820 -12.379 1.00 0.00 C ATOM 1136 CE1 HIS A 80 -1.330 -11.839 -12.545 1.00 0.00 C ATOM 1137 NE2 HIS A 80 -0.530 -10.961 -13.176 1.00 0.00 N ATOM 0 H HIS A 80 -2.116 -5.885 -9.838 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.015 -7.295 -11.494 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.635 -8.694 -9.947 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -2.099 -9.522 -9.451 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -2.358 -11.815 -10.689 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.066 -8.935 -12.536 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.557 -12.829 -12.912 1.00 0.00 H new ATOM 1144 N PRO A 81 -4.141 -8.416 -12.205 1.00 0.00 N ATOM 1145 CA PRO A 81 -5.446 -8.876 -12.590 1.00 0.00 C ATOM 1146 C PRO A 81 -5.752 -10.324 -12.296 1.00 0.00 C ATOM 1147 O PRO A 81 -6.924 -10.679 -12.371 1.00 0.00 O ATOM 1148 CB PRO A 81 -5.553 -8.612 -14.074 1.00 0.00 C ATOM 1149 CG PRO A 81 -4.113 -8.595 -14.572 1.00 0.00 C ATOM 1150 CD PRO A 81 -3.367 -8.027 -13.376 1.00 0.00 C ATOM 0 HA PRO A 81 -6.180 -8.339 -11.990 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.135 -9.387 -14.573 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.051 -7.663 -14.272 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.761 -9.593 -14.835 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.996 -7.972 -15.459 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.353 -8.423 -13.324 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.283 -6.943 -13.447 1.00 0.00 H new ATOM 1155 N ASP A 82 -4.756 -11.135 -11.954 1.00 0.00 N ATOM 1156 CA ASP A 82 -5.106 -12.542 -11.671 1.00 0.00 C ATOM 1157 C ASP A 82 -5.133 -12.713 -10.156 1.00 0.00 C ATOM 1158 O ASP A 82 -4.652 -13.714 -9.626 1.00 0.00 O ATOM 1159 CB ASP A 82 -4.128 -13.479 -12.401 1.00 0.00 C ATOM 1160 CG ASP A 82 -4.659 -14.888 -12.643 1.00 0.00 C ATOM 1161 OD1 ASP A 82 -5.880 -15.025 -12.868 1.00 0.00 O ATOM 1162 OD2 ASP A 82 -3.807 -15.803 -12.666 1.00 0.00 O ATOM 0 H ASP A 82 -3.772 -10.882 -11.867 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.093 -12.809 -12.049 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.867 -13.034 -13.361 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -3.208 -13.546 -11.820 1.00 0.00 H new ATOM 1166 N ASP A 83 -5.699 -11.716 -9.458 1.00 0.00 N ATOM 1167 CA ASP A 83 -5.375 -11.590 -8.068 1.00 0.00 C ATOM 1168 C ASP A 83 -6.558 -10.940 -7.361 1.00 0.00 C ATOM 1169 O ASP A 83 -7.104 -11.439 -6.379 1.00 0.00 O ATOM 1170 CB ASP A 83 -4.150 -10.678 -8.210 1.00 0.00 C ATOM 1171 CG ASP A 83 -2.862 -11.384 -7.835 1.00 0.00 C ATOM 1172 OD1 ASP A 83 -2.533 -11.419 -6.633 1.00 0.00 O ATOM 1173 OD2 ASP A 83 -2.207 -11.869 -8.786 1.00 0.00 O ATOM 0 H ASP A 83 -6.351 -11.025 -9.830 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.178 -12.492 -7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -4.081 -10.323 -9.238 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.278 -9.800 -7.577 1.00 0.00 H new ATOM 1177 N ARG A 84 -6.923 -9.802 -7.937 1.00 0.00 N ATOM 1178 CA ARG A 84 -8.123 -9.055 -7.696 1.00 0.00 C ATOM 1179 C ARG A 84 -9.439 -9.834 -7.859 1.00 0.00 C ATOM 1180 O ARG A 84 -10.420 -9.409 -7.207 1.00 0.00 O ATOM 1181 CB ARG A 84 -8.034 -7.920 -8.699 1.00 0.00 C ATOM 1182 CG ARG A 84 -8.345 -8.240 -10.164 1.00 0.00 C ATOM 1183 CD ARG A 84 -8.223 -6.942 -10.979 1.00 0.00 C ATOM 1184 NE ARG A 84 -6.850 -6.421 -10.875 1.00 0.00 N ATOM 1185 CZ ARG A 84 -6.384 -5.197 -11.128 1.00 0.00 C ATOM 1186 NH1 ARG A 84 -7.142 -4.201 -11.553 1.00 0.00 N ATOM 1187 NH2 ARG A 84 -5.101 -4.945 -10.960 1.00 0.00 N ATOM 1188 OXT ARG A 84 -9.471 -10.776 -8.682 1.00 0.00 O ATOM 0 H ARG A 84 -6.333 -9.353 -8.637 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.167 -8.743 -6.652 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -8.715 -7.132 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -7.026 -7.509 -8.652 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.654 -8.993 -10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -9.349 -8.654 -10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.473 -7.131 -12.023 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.933 -6.201 -10.611 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.152 -7.096 -10.563 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -8.140 -4.348 -11.704 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.729 -3.285 -11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.474 -5.683 -10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.735 -4.012 -11.151 1.00 0.00 H new TER 1199 ARG A 84 HETATM 1200 FE HEM A 201 -2.672 8.859 6.105 1.00 0.00 FE HETATM 1201 CHA HEM A 201 -3.735 11.385 8.209 1.00 0.00 C HETATM 1202 CHB HEM A 201 -1.279 11.233 3.961 1.00 0.00 C HETATM 1203 CHC HEM A 201 -1.959 6.374 3.796 1.00 0.00 C HETATM 1204 CHD HEM A 201 -4.043 6.501 8.266 1.00 0.00 C HETATM 1205 NA HEM A 201 -2.463 10.918 6.125 1.00 0.00 N HETATM 1206 C1A HEM A 201 -3.018 11.731 7.064 1.00 0.00 C HETATM 1207 C2A HEM A 201 -2.820 13.091 6.633 1.00 0.00 C HETATM 1208 C3A HEM A 201 -2.044 13.060 5.497 1.00 0.00 C HETATM 1209 C4A HEM A 201 -1.877 11.672 5.140 1.00 0.00 C HETATM 1210 CMA HEM A 201 -1.596 14.259 4.696 1.00 0.00 C HETATM 1211 CAA HEM A 201 -3.595 14.276 7.154 1.00 0.00 C HETATM 1212 CBA HEM A 201 -5.020 14.303 6.621 1.00 0.00 C HETATM 1213 CGA HEM A 201 -5.087 14.645 5.133 1.00 0.00 C HETATM 1214 O1A HEM A 201 -4.915 15.842 4.824 1.00 0.00 O HETATM 1215 O2A HEM A 201 -5.320 13.722 4.323 1.00 0.00 O HETATM 1216 NB HEM A 201 -1.748 8.805 4.261 1.00 0.00 N HETATM 1217 C1B HEM A 201 -1.248 9.894 3.586 1.00 0.00 C HETATM 1218 C2B HEM A 201 -0.715 9.421 2.331 1.00 0.00 C HETATM 1219 C3B HEM A 201 -0.877 8.063 2.328 1.00 0.00 C HETATM 1220 C4B HEM A 201 -1.575 7.673 3.516 1.00 0.00 C HETATM 1221 CMB HEM A 201 -0.237 10.267 1.189 1.00 0.00 C HETATM 1222 CAB HEM A 201 -0.134 7.094 1.440 1.00 0.00 C HETATM 1223 CBB HEM A 201 -0.735 6.605 0.342 1.00 0.00 C HETATM 1224 NC HEM A 201 -2.936 6.833 6.038 1.00 0.00 N HETATM 1225 C1C HEM A 201 -2.606 6.032 4.969 1.00 0.00 C HETATM 1226 C2C HEM A 201 -3.096 4.710 5.247 1.00 0.00 C HETATM 1227 C3C HEM A 201 -3.537 4.746 6.542 1.00 0.00 C HETATM 1228 C4C HEM A 201 -3.522 6.094 7.029 1.00 0.00 C HETATM 1229 CMC HEM A 201 -3.109 3.527 4.315 1.00 0.00 C HETATM 1230 CAC HEM A 201 -4.331 3.656 7.190 1.00 0.00 C HETATM 1231 CBC HEM A 201 -3.775 2.846 8.114 1.00 0.00 C HETATM 1232 ND HEM A 201 -3.686 8.927 7.950 1.00 0.00 N HETATM 1233 C1D HEM A 201 -4.116 7.842 8.654 1.00 0.00 C HETATM 1234 C2D HEM A 201 -4.682 8.326 9.896 1.00 0.00 C HETATM 1235 C3D HEM A 201 -4.604 9.708 9.866 1.00 0.00 C HETATM 1236 C4D HEM A 201 -3.984 10.070 8.613 1.00 0.00 C HETATM 1237 CMD HEM A 201 -5.233 7.464 11.012 1.00 0.00 C HETATM 1238 CAD HEM A 201 -4.974 10.721 10.935 1.00 0.00 C HETATM 1239 CBD HEM A 201 -5.173 10.237 12.368 1.00 0.00 C HETATM 1240 CGD HEM A 201 -5.075 11.394 13.355 1.00 0.00 C HETATM 1241 O1D HEM A 201 -3.929 11.832 13.597 1.00 0.00 O HETATM 1242 O2D HEM A 201 -6.145 11.823 13.836 1.00 0.00 O HETATM 0 HMA1 HEM A 201 -0.709 14.000 4.118 1.00 0.00 H new HETATM 0 HMA2 HEM A 201 -1.360 15.081 5.372 1.00 0.00 H new HETATM 0 HMA3 HEM A 201 -2.394 14.563 4.019 1.00 0.00 H new HETATM 0 HMB1 HEM A 201 -0.793 11.204 1.173 1.00 0.00 H new HETATM 0 HMB2 HEM A 201 -0.395 9.735 0.251 1.00 0.00 H new HETATM 0 HMB3 HEM A 201 0.825 10.477 1.312 1.00 0.00 H new HETATM 0 HMC1 HEM A 201 -3.202 3.875 3.286 1.00 0.00 H new HETATM 0 HMC2 HEM A 201 -3.953 2.882 4.558 1.00 0.00 H new HETATM 0 HMC3 HEM A 201 -2.181 2.966 4.426 1.00 0.00 H new HETATM 0 HMD1 HEM A 201 -5.635 6.541 10.594 1.00 0.00 H new HETATM 0 HMD2 HEM A 201 -6.026 8.003 11.530 1.00 0.00 H new HETATM 0 HMD3 HEM A 201 -4.435 7.227 11.716 1.00 0.00 H new HETATM 0 HBB1 HEM A 201 -0.205 5.905 -0.304 1.00 0.00 H new HETATM 0 HBB2 HEM A 201 -1.753 6.908 0.097 1.00 0.00 H new HETATM 0 HBC1 HEM A 201 -4.369 2.057 8.575 1.00 0.00 H new HETATM 0 HBC2 HEM A 201 -2.732 2.980 8.399 1.00 0.00 H new HETATM 0 HBA1 HEM A 201 -5.600 15.034 7.184 1.00 0.00 H new HETATM 0 HBA2 HEM A 201 -5.484 13.331 6.787 1.00 0.00 H new HETATM 0 HAA1 HEM A 201 -3.084 15.196 6.871 1.00 0.00 H new HETATM 0 HAA2 HEM A 201 -3.616 14.245 8.243 1.00 0.00 H new HETATM 0 HBD1 HEM A 201 -4.422 9.485 12.609 1.00 0.00 H new HETATM 0 HBD2 HEM A 201 -6.147 9.757 12.461 1.00 0.00 H new HETATM 0 HAD1 HEM A 201 -5.896 11.211 10.621 1.00 0.00 H new HETATM 0 HAD2 HEM A 201 -4.196 11.485 10.949 1.00 0.00 H new HETATM 0 HHA HEM A 201 -4.123 12.184 8.823 1.00 0.00 H new HETATM 0 HHB HEM A 201 -0.820 11.963 3.311 1.00 0.00 H new HETATM 0 HHC HEM A 201 -1.746 5.600 3.073 1.00 0.00 H new HETATM 0 HHD HEM A 201 -4.403 5.745 8.948 1.00 0.00 H new HETATM 0 HAB HEM A 201 0.884 6.793 1.688 1.00 0.00 H new HETATM 0 HAC HEM A 201 -5.375 3.514 6.911 1.00 0.00 H new