USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 572 hydrogens (96 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 17 HIS HE2 : A 17 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 130 HECFE :(H bumps) USER MOD NoAdj-H: A 45 HIS HE2 : A 45 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 53 HIS HE2 : A 53 HIS NE2 : A 153 HECFE :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 166 HECFE :(H bumps) USER MOD NoAdj-H: A 130 HEC HAC : A 130 HEC CAC : A 29 CYS SG :(H bumps) USER MOD NoAdj-H: A 130 HEC HAB : A 130 HEC CAB : A 26 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAC : A 153 HEC CAC : A 52 CYS SG :(H bumps) USER MOD NoAdj-H: A 153 HEC HAB : A 153 HEC CAB : A 49 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAC : A 166 HEC CAC : A 65 CYS SG :(H bumps) USER MOD NoAdj-H: A 166 HEC HAB : A 166 HEC CAB : A 62 CYS SG :(H bumps) USER MOD Set 1.1: A 36 LYS NZ :NH3+ 179:sc= 0.838 (180deg=0.139) USER MOD Set 1.2: A 130 HEC O2A : rot -118:sc= 0.735 USER MOD Set 2.1: A 5 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.2: A 14 THR OG1 : rot -41:sc= 1.2 USER MOD Single : A 1 ALA N :NH3+ -133:sc= 0.0743 (180deg=0) USER MOD Single : A 6 TYR OH : rot -1:sc= 1.24 USER MOD Single : A 8 ASN : amide:sc= -0.849 K(o=-0.85,f=-3.9!) USER MOD Single : A 12 ASN : amide:sc= -1.03 K(o=-1,f=-3.2) USER MOD Single : A 18 LYS NZ :NH3+ 137:sc= 0.426 (180deg=-3.03!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -126:sc= 0.555 (180deg=-1.65!) USER MOD Single : A 42 LYS NZ :NH3+ -164:sc= 0.0274 (180deg=-0.519) USER MOD Single : A 43 SER OG : rot -129:sc= 1.04 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -144:sc= 1.1 (180deg=-0.00899) USER MOD Single : A 51 THR OG1 : rot 71:sc= 0.516 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.299 K(o=0.3,f=-2.9!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 63:sc= 0.735 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HEC O2D : rot 165:sc= 0 USER MOD Single : A 153 HEC O2A : rot 179:sc= 0 USER MOD Single : A 153 HEC O2D : rot 167:sc= 0 USER MOD Single : A 166 HEC O2A : rot 168:sc= 0.577 USER MOD Single : A 166 HEC O2D : rot 130:sc= -0.658 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.650 -7.167 -3.532 1.00 10.00 N ATOM 2 CA ALA A 1 -10.775 -8.588 -3.138 1.00 10.00 C ATOM 3 C ALA A 1 -9.965 -8.844 -1.856 1.00 10.00 C ATOM 4 O ALA A 1 -9.895 -7.945 -1.023 1.00 10.00 O ATOM 5 CB ALA A 1 -10.369 -9.496 -4.308 1.00 10.00 C ATOM 0 H1 ALA A 1 -11.591 -6.785 -3.757 1.00 10.00 H new ATOM 0 H2 ALA A 1 -10.234 -6.625 -2.748 1.00 10.00 H new ATOM 0 H3 ALA A 1 -10.037 -7.091 -4.369 1.00 10.00 H new ATOM 0 HA ALA A 1 -11.813 -8.828 -2.907 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -10.464 -10.540 -4.009 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -11.019 -9.303 -5.161 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -9.335 -9.291 -4.586 1.00 10.00 H new ATOM 13 N ASP A 2 -9.338 -10.011 -1.721 1.00 10.00 N ATOM 14 CA ASP A 2 -8.264 -10.290 -0.775 1.00 10.00 C ATOM 15 C ASP A 2 -6.938 -9.792 -1.368 1.00 10.00 C ATOM 16 O ASP A 2 -6.950 -8.744 -2.005 1.00 10.00 O ATOM 17 CB ASP A 2 -8.368 -11.799 -0.527 1.00 10.00 C ATOM 18 CG ASP A 2 -7.765 -12.155 0.800 1.00 10.00 C ATOM 19 OD1 ASP A 2 -6.526 -12.297 0.800 1.00 10.00 O ATOM 20 OD2 ASP A 2 -8.538 -12.147 1.789 1.00 10.00 O ATOM 0 H ASP A 2 -9.576 -10.821 -2.293 1.00 10.00 H new ATOM 0 HA ASP A 2 -8.329 -9.775 0.184 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -9.413 -12.107 -0.553 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.857 -12.341 -1.323 1.00 10.00 H new ATOM 25 N VAL A 3 -5.809 -10.477 -1.170 1.00 10.00 N ATOM 26 CA VAL A 3 -4.537 -10.068 -1.785 1.00 10.00 C ATOM 27 C VAL A 3 -4.700 -9.752 -3.292 1.00 10.00 C ATOM 28 O VAL A 3 -4.974 -10.648 -4.090 1.00 10.00 O ATOM 29 CB VAL A 3 -3.448 -11.127 -1.535 1.00 10.00 C ATOM 30 CG1 VAL A 3 -2.128 -10.716 -2.202 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.181 -11.314 -0.035 1.00 10.00 C ATOM 0 H VAL A 3 -5.746 -11.315 -0.591 1.00 10.00 H new ATOM 0 HA VAL A 3 -4.218 -9.142 -1.307 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.814 -12.061 -1.961 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -1.372 -11.478 -2.013 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -2.280 -10.614 -3.277 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.794 -9.764 -1.791 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.407 -12.069 0.106 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.849 -10.369 0.396 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.097 -11.637 0.460 1.00 10.00 H new ATOM 41 N VAL A 4 -4.540 -8.479 -3.678 1.00 10.00 N ATOM 42 CA VAL A 4 -4.609 -7.999 -5.067 1.00 10.00 C ATOM 43 C VAL A 4 -3.187 -7.730 -5.578 1.00 10.00 C ATOM 44 O VAL A 4 -2.328 -7.340 -4.797 1.00 10.00 O ATOM 45 CB VAL A 4 -5.463 -6.713 -5.159 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.585 -6.202 -6.602 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.874 -6.903 -4.594 1.00 10.00 C ATOM 0 H VAL A 4 -4.353 -7.730 -3.011 1.00 10.00 H new ATOM 0 HA VAL A 4 -5.081 -8.762 -5.686 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.933 -5.977 -4.555 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -6.193 -5.298 -6.618 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.593 -5.979 -6.994 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -6.056 -6.966 -7.220 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.430 -5.970 -4.683 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.387 -7.686 -5.152 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.810 -7.188 -3.544 1.00 10.00 H new ATOM 57 N THR A 5 -2.925 -7.888 -6.880 1.00 10.00 N ATOM 58 CA THR A 5 -1.621 -7.577 -7.476 1.00 10.00 C ATOM 59 C THR A 5 -1.737 -6.552 -8.608 1.00 10.00 C ATOM 60 O THR A 5 -2.402 -6.796 -9.610 1.00 10.00 O ATOM 61 CB THR A 5 -0.902 -8.873 -7.892 1.00 10.00 C ATOM 62 OG1 THR A 5 -0.246 -9.409 -6.763 1.00 10.00 O ATOM 63 CG2 THR A 5 0.189 -8.654 -8.933 1.00 10.00 C ATOM 0 H THR A 5 -3.611 -8.235 -7.550 1.00 10.00 H new ATOM 0 HA THR A 5 -0.999 -7.096 -6.721 1.00 10.00 H new ATOM 0 HB THR A 5 -1.670 -9.525 -8.308 1.00 10.00 H new ATOM 0 HG1 THR A 5 0.215 -10.236 -7.015 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.653 -9.609 -9.180 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.248 -8.220 -9.832 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.943 -7.976 -8.533 1.00 10.00 H new ATOM 71 N TYR A 6 -1.062 -5.408 -8.444 1.00 10.00 N ATOM 72 CA TYR A 6 -0.894 -4.403 -9.488 1.00 10.00 C ATOM 73 C TYR A 6 0.306 -4.758 -10.355 1.00 10.00 C ATOM 74 O TYR A 6 1.441 -4.702 -9.875 1.00 10.00 O ATOM 75 CB TYR A 6 -0.678 -3.020 -8.867 1.00 10.00 C ATOM 76 CG TYR A 6 -1.954 -2.233 -8.648 1.00 10.00 C ATOM 77 CD1 TYR A 6 -3.085 -2.850 -8.080 1.00 10.00 C ATOM 78 CD2 TYR A 6 -1.996 -0.869 -8.978 1.00 10.00 C ATOM 79 CE1 TYR A 6 -4.222 -2.082 -7.768 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.131 -0.105 -8.664 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.241 -0.708 -8.055 1.00 10.00 C ATOM 82 OH TYR A 6 -5.294 0.065 -7.678 1.00 10.00 O ATOM 0 H TYR A 6 -0.611 -5.155 -7.565 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.796 -4.382 -10.099 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -0.169 -3.139 -7.911 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.015 -2.444 -9.512 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -3.080 -3.912 -7.884 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.155 -0.407 -9.474 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -5.080 -2.550 -7.308 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.149 0.950 -8.892 1.00 10.00 H new ATOM 0 HH TYR A 6 -5.967 -0.492 -7.234 1.00 10.00 H new ATOM 92 N GLU A 7 0.037 -5.119 -11.608 1.00 10.00 N ATOM 93 CA GLU A 7 1.028 -5.478 -12.609 1.00 10.00 C ATOM 94 C GLU A 7 1.520 -4.268 -13.412 1.00 10.00 C ATOM 95 O GLU A 7 0.734 -3.614 -14.095 1.00 10.00 O ATOM 96 CB GLU A 7 0.448 -6.575 -13.503 1.00 10.00 C ATOM 97 CG GLU A 7 -0.096 -7.716 -12.640 1.00 10.00 C ATOM 98 CD GLU A 7 -0.049 -9.054 -13.365 1.00 10.00 C ATOM 99 OE1 GLU A 7 1.083 -9.585 -13.454 1.00 10.00 O ATOM 100 OE2 GLU A 7 -1.124 -9.506 -13.806 1.00 10.00 O ATOM 0 H GLU A 7 -0.918 -5.170 -11.964 1.00 10.00 H new ATOM 0 HA GLU A 7 1.916 -5.861 -12.106 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.348 -6.166 -14.125 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.217 -6.952 -14.177 1.00 10.00 H new ATOM 0 HG2 GLU A 7 0.484 -7.782 -11.720 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -1.124 -7.495 -12.354 1.00 10.00 H new ATOM 107 N ASN A 8 2.819 -3.957 -13.306 1.00 10.00 N ATOM 108 CA ASN A 8 3.401 -2.709 -13.795 1.00 10.00 C ATOM 109 C ASN A 8 4.797 -2.985 -14.358 1.00 10.00 C ATOM 110 O ASN A 8 5.513 -3.854 -13.856 1.00 10.00 O ATOM 111 CB ASN A 8 3.455 -1.654 -12.670 1.00 10.00 C ATOM 112 CG ASN A 8 2.598 -2.028 -11.470 1.00 10.00 C ATOM 113 OD1 ASN A 8 1.388 -1.848 -11.466 1.00 10.00 O ATOM 114 ND2 ASN A 8 3.191 -2.638 -10.456 1.00 10.00 N ATOM 0 H ASN A 8 3.502 -4.578 -12.871 1.00 10.00 H new ATOM 0 HA ASN A 8 2.773 -2.308 -14.591 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.488 -1.526 -12.347 1.00 10.00 H new ATOM 0 HB3 ASN A 8 3.123 -0.693 -13.063 1.00 10.00 H new ATOM 0 HD21 ASN A 8 2.638 -2.962 -9.662 1.00 10.00 H new ATOM 0 HD22 ASN A 8 4.200 -2.784 -10.468 1.00 10.00 H new ATOM 121 N ALA A 9 5.211 -2.226 -15.373 1.00 10.00 N ATOM 122 CA ALA A 9 6.468 -2.424 -16.090 1.00 10.00 C ATOM 123 C ALA A 9 7.700 -2.340 -15.176 1.00 10.00 C ATOM 124 O ALA A 9 8.743 -2.910 -15.483 1.00 10.00 O ATOM 125 CB ALA A 9 6.553 -1.392 -17.215 1.00 10.00 C ATOM 0 H ALA A 9 4.668 -1.438 -15.727 1.00 10.00 H new ATOM 0 HA ALA A 9 6.472 -3.434 -16.499 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.487 -1.526 -17.761 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.712 -1.525 -17.895 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.521 -0.388 -16.791 1.00 10.00 H new ATOM 131 N ALA A 10 7.574 -1.642 -14.043 1.00 10.00 N ATOM 132 CA ALA A 10 8.644 -1.497 -13.059 1.00 10.00 C ATOM 133 C ALA A 10 8.720 -2.659 -12.055 1.00 10.00 C ATOM 134 O ALA A 10 9.579 -2.639 -11.177 1.00 10.00 O ATOM 135 CB ALA A 10 8.459 -0.164 -12.333 1.00 10.00 C ATOM 0 H ALA A 10 6.715 -1.157 -13.783 1.00 10.00 H new ATOM 0 HA ALA A 10 9.593 -1.517 -13.595 1.00 10.00 H new ATOM 0 HB1 ALA A 10 9.250 -0.039 -11.594 1.00 10.00 H new ATOM 0 HB2 ALA A 10 8.504 0.652 -13.054 1.00 10.00 H new ATOM 0 HB3 ALA A 10 7.491 -0.153 -11.833 1.00 10.00 H new ATOM 141 N GLY A 11 7.819 -3.646 -12.149 1.00 10.00 N ATOM 142 CA GLY A 11 7.707 -4.737 -11.185 1.00 10.00 C ATOM 143 C GLY A 11 6.315 -4.721 -10.565 1.00 10.00 C ATOM 144 O GLY A 11 5.835 -3.656 -10.156 1.00 10.00 O ATOM 0 H GLY A 11 7.141 -3.705 -12.909 1.00 10.00 H new ATOM 0 HA2 GLY A 11 7.887 -5.693 -11.677 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.465 -4.631 -10.409 1.00 10.00 H new ATOM 148 N ASN A 12 5.652 -5.877 -10.471 1.00 10.00 N ATOM 149 CA ASN A 12 4.371 -5.921 -9.778 1.00 10.00 C ATOM 150 C ASN A 12 4.583 -5.693 -8.275 1.00 10.00 C ATOM 151 O ASN A 12 5.703 -5.847 -7.787 1.00 10.00 O ATOM 152 CB ASN A 12 3.554 -7.194 -10.023 1.00 10.00 C ATOM 153 CG ASN A 12 3.507 -7.719 -11.457 1.00 10.00 C ATOM 154 OD1 ASN A 12 3.975 -7.089 -12.398 1.00 10.00 O ATOM 155 ND2 ASN A 12 2.872 -8.871 -11.621 1.00 10.00 N ATOM 0 H ASN A 12 5.972 -6.767 -10.854 1.00 10.00 H new ATOM 0 HA ASN A 12 3.773 -5.115 -10.203 1.00 10.00 H new ATOM 0 HB2 ASN A 12 3.955 -7.982 -9.386 1.00 10.00 H new ATOM 0 HB3 ASN A 12 2.531 -7.009 -9.696 1.00 10.00 H new ATOM 0 HD21 ASN A 12 2.759 -9.263 -12.556 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.496 -9.366 -10.812 1.00 10.00 H new ATOM 162 N VAL A 13 3.523 -5.294 -7.566 1.00 10.00 N ATOM 163 CA VAL A 13 3.648 -4.738 -6.210 1.00 10.00 C ATOM 164 C VAL A 13 2.860 -5.457 -5.099 1.00 10.00 C ATOM 165 O VAL A 13 3.262 -5.391 -3.942 1.00 10.00 O ATOM 166 CB VAL A 13 3.439 -3.215 -6.254 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.141 -2.852 -6.958 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.388 -2.593 -4.858 1.00 10.00 C ATOM 0 H VAL A 13 2.563 -5.345 -7.908 1.00 10.00 H new ATOM 0 HA VAL A 13 4.670 -4.941 -5.890 1.00 10.00 H new ATOM 0 HB VAL A 13 4.296 -2.821 -6.800 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.025 -1.768 -6.971 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.165 -3.227 -7.981 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.301 -3.300 -6.427 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.239 -1.517 -4.944 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.563 -3.030 -4.295 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.326 -2.789 -4.338 1.00 10.00 H new ATOM 178 N THR A 14 1.758 -6.147 -5.413 1.00 10.00 N ATOM 179 CA THR A 14 1.013 -6.956 -4.439 1.00 10.00 C ATOM 180 C THR A 14 0.435 -6.134 -3.273 1.00 10.00 C ATOM 181 O THR A 14 1.037 -5.972 -2.217 1.00 10.00 O ATOM 182 CB THR A 14 1.823 -8.194 -4.031 1.00 10.00 C ATOM 183 OG1 THR A 14 1.967 -9.001 -5.187 1.00 10.00 O ATOM 184 CG2 THR A 14 1.117 -9.048 -2.974 1.00 10.00 C ATOM 0 H THR A 14 1.356 -6.161 -6.350 1.00 10.00 H new ATOM 0 HA THR A 14 0.116 -7.334 -4.929 1.00 10.00 H new ATOM 0 HB THR A 14 2.770 -7.852 -3.613 1.00 10.00 H new ATOM 0 HG1 THR A 14 1.124 -9.011 -5.686 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.739 -9.908 -2.727 1.00 10.00 H new ATOM 0 HG22 THR A 14 0.949 -8.452 -2.077 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.160 -9.393 -3.365 1.00 10.00 H new ATOM 192 N PHE A 15 -0.783 -5.634 -3.484 1.00 10.00 N ATOM 193 CA PHE A 15 -1.626 -4.991 -2.482 1.00 10.00 C ATOM 194 C PHE A 15 -2.207 -6.065 -1.549 1.00 10.00 C ATOM 195 O PHE A 15 -3.175 -6.761 -1.874 1.00 10.00 O ATOM 196 CB PHE A 15 -2.760 -4.219 -3.169 1.00 10.00 C ATOM 197 CG PHE A 15 -2.426 -2.904 -3.848 1.00 10.00 C ATOM 198 CD1 PHE A 15 -1.192 -2.701 -4.499 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.454 -1.954 -4.005 1.00 10.00 C ATOM 200 CE1 PHE A 15 -1.009 -1.586 -5.330 1.00 10.00 C ATOM 201 CE2 PHE A 15 -3.263 -0.833 -4.828 1.00 10.00 C ATOM 202 CZ PHE A 15 -2.043 -0.657 -5.499 1.00 10.00 C ATOM 0 H PHE A 15 -1.227 -5.669 -4.402 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.030 -4.288 -1.899 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -3.204 -4.876 -3.917 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.528 -4.022 -2.422 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.386 -3.406 -4.357 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -4.394 -2.089 -3.490 1.00 10.00 H new ATOM 0 HE1 PHE A 15 -0.068 -1.444 -5.841 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -4.054 -0.107 -4.945 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.902 0.196 -6.146 1.00 10.00 H new ATOM 212 N ASP A 16 -1.622 -6.172 -0.366 1.00 10.00 N ATOM 213 CA ASP A 16 -1.878 -7.171 0.652 1.00 10.00 C ATOM 214 C ASP A 16 -3.162 -6.816 1.419 1.00 10.00 C ATOM 215 O ASP A 16 -3.156 -6.570 2.624 1.00 10.00 O ATOM 216 CB ASP A 16 -0.607 -7.336 1.526 1.00 10.00 C ATOM 217 CG ASP A 16 0.454 -6.232 1.469 1.00 10.00 C ATOM 218 OD1 ASP A 16 0.090 -5.063 1.207 1.00 10.00 O ATOM 219 OD2 ASP A 16 1.621 -6.579 1.744 1.00 10.00 O ATOM 0 H ASP A 16 -0.902 -5.511 -0.074 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.072 -8.152 0.218 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -0.926 -7.439 2.563 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -0.128 -8.274 1.245 1.00 10.00 H new ATOM 224 N HIS A 17 -4.293 -6.804 0.706 1.00 10.00 N ATOM 225 CA HIS A 17 -5.536 -6.202 1.169 1.00 10.00 C ATOM 226 C HIS A 17 -5.999 -6.852 2.472 1.00 10.00 C ATOM 227 O HIS A 17 -6.373 -6.188 3.434 1.00 10.00 O ATOM 228 CB HIS A 17 -6.571 -6.368 0.050 1.00 10.00 C ATOM 229 CG HIS A 17 -7.667 -5.339 0.056 1.00 10.00 C ATOM 230 ND1 HIS A 17 -9.008 -5.628 0.078 1.00 10.00 N ATOM 231 CD2 HIS A 17 -7.529 -3.992 0.258 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.664 -4.486 0.327 1.00 10.00 C ATOM 233 NE2 HIS A 17 -8.807 -3.464 0.467 1.00 10.00 N ATOM 0 H HIS A 17 -4.366 -7.220 -0.222 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.397 -5.143 1.387 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.058 -6.328 -0.911 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -7.019 -7.358 0.131 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -9.429 -6.545 -0.069 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -6.602 -3.438 0.256 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -10.738 -4.400 0.404 1.00 10.00 H new ATOM 241 N LYS A 18 -5.905 -8.181 2.480 1.00 10.00 N ATOM 242 CA LYS A 18 -6.007 -9.017 3.669 1.00 10.00 C ATOM 243 C LYS A 18 -4.807 -8.839 4.600 1.00 10.00 C ATOM 244 O LYS A 18 -4.948 -8.361 5.716 1.00 10.00 O ATOM 245 CB LYS A 18 -6.100 -10.472 3.206 1.00 10.00 C ATOM 246 CG LYS A 18 -6.177 -11.536 4.322 1.00 10.00 C ATOM 247 CD LYS A 18 -7.560 -11.997 4.816 1.00 10.00 C ATOM 248 CE LYS A 18 -8.622 -10.913 5.012 1.00 10.00 C ATOM 249 NZ LYS A 18 -9.173 -10.485 3.711 1.00 10.00 N ATOM 0 H LYS A 18 -5.750 -8.721 1.628 1.00 10.00 H new ATOM 0 HA LYS A 18 -6.891 -8.726 4.237 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -6.981 -10.575 2.572 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -5.232 -10.690 2.583 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -5.641 -12.419 3.973 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -5.631 -11.151 5.183 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -7.948 -12.727 4.106 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -7.426 -12.516 5.765 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.424 -11.292 5.646 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -8.186 -10.058 5.528 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -10.206 -10.391 3.786 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -8.760 -9.569 3.444 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -8.941 -11.194 2.986 1.00 10.00 H new ATOM 263 N ALA A 19 -3.633 -9.297 4.170 1.00 10.00 N ATOM 264 CA ALA A 19 -2.497 -9.525 5.064 1.00 10.00 C ATOM 265 C ALA A 19 -2.096 -8.274 5.851 1.00 10.00 C ATOM 266 O ALA A 19 -1.776 -8.362 7.034 1.00 10.00 O ATOM 267 CB ALA A 19 -1.313 -10.062 4.266 1.00 10.00 C ATOM 0 H ALA A 19 -3.441 -9.521 3.193 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.809 -10.264 5.802 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -0.469 -10.230 4.935 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.592 -11.002 3.790 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.031 -9.338 3.502 1.00 10.00 H new ATOM 273 N HIS A 20 -2.156 -7.098 5.218 1.00 10.00 N ATOM 274 CA HIS A 20 -2.069 -5.854 5.962 1.00 10.00 C ATOM 275 C HIS A 20 -3.222 -5.735 6.971 1.00 10.00 C ATOM 276 O HIS A 20 -2.973 -5.622 8.168 1.00 10.00 O ATOM 277 CB HIS A 20 -1.991 -4.647 5.016 1.00 10.00 C ATOM 278 CG HIS A 20 -0.605 -4.360 4.498 1.00 10.00 C ATOM 279 ND1 HIS A 20 0.389 -5.291 4.354 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.067 -3.130 4.206 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.499 -4.635 3.989 1.00 10.00 C ATOM 282 NE2 HIS A 20 1.284 -3.312 3.879 1.00 10.00 N ATOM 0 H HIS A 20 -2.263 -6.989 4.209 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.143 -5.862 6.537 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.655 -4.819 4.169 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.362 -3.765 5.538 1.00 10.00 H new ATOM 0 HD1 HIS A 20 0.301 -6.297 4.498 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.593 -2.187 4.225 1.00 10.00 H new ATOM 0 HE1 HIS A 20 2.451 -5.111 3.805 1.00 10.00 H new ATOM 290 N ALA A 21 -4.479 -5.791 6.514 1.00 10.00 N ATOM 291 CA ALA A 21 -5.664 -5.712 7.371 1.00 10.00 C ATOM 292 C ALA A 21 -5.581 -6.571 8.634 1.00 10.00 C ATOM 293 O ALA A 21 -5.883 -6.071 9.714 1.00 10.00 O ATOM 294 CB ALA A 21 -6.923 -6.091 6.601 1.00 10.00 C ATOM 0 H ALA A 21 -4.703 -5.894 5.524 1.00 10.00 H new ATOM 0 HA ALA A 21 -5.709 -4.671 7.690 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -7.788 -6.024 7.261 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.054 -5.409 5.761 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -6.829 -7.111 6.229 1.00 10.00 H new ATOM 300 N GLU A 22 -5.163 -7.832 8.500 1.00 10.00 N ATOM 301 CA GLU A 22 -4.978 -8.761 9.613 1.00 10.00 C ATOM 302 C GLU A 22 -4.213 -8.123 10.790 1.00 10.00 C ATOM 303 O GLU A 22 -4.556 -8.343 11.950 1.00 10.00 O ATOM 304 CB GLU A 22 -4.278 -10.032 9.100 1.00 10.00 C ATOM 305 CG GLU A 22 -5.105 -10.823 8.068 1.00 10.00 C ATOM 306 CD GLU A 22 -6.489 -11.243 8.548 1.00 10.00 C ATOM 307 OE1 GLU A 22 -6.547 -11.919 9.595 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.457 -10.902 7.832 1.00 10.00 O ATOM 0 H GLU A 22 -4.939 -8.243 7.594 1.00 10.00 H new ATOM 0 HA GLU A 22 -5.959 -9.027 10.007 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.324 -9.755 8.652 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.055 -10.680 9.947 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.216 -10.216 7.169 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -4.548 -11.715 7.783 1.00 10.00 H new ATOM 315 N LYS A 23 -3.184 -7.316 10.499 1.00 10.00 N ATOM 316 CA LYS A 23 -2.406 -6.576 11.478 1.00 10.00 C ATOM 317 C LYS A 23 -2.945 -5.156 11.731 1.00 10.00 C ATOM 318 O LYS A 23 -2.888 -4.658 12.853 1.00 10.00 O ATOM 319 CB LYS A 23 -0.964 -6.522 10.954 1.00 10.00 C ATOM 320 CG LYS A 23 -0.012 -6.551 12.141 1.00 10.00 C ATOM 321 CD LYS A 23 1.450 -6.564 11.677 1.00 10.00 C ATOM 322 CE LYS A 23 2.386 -6.619 12.893 1.00 10.00 C ATOM 323 NZ LYS A 23 3.804 -6.726 12.484 1.00 10.00 N ATOM 0 H LYS A 23 -2.867 -7.161 9.542 1.00 10.00 H new ATOM 0 HA LYS A 23 -2.467 -7.083 12.441 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -0.770 -7.367 10.293 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -0.809 -5.617 10.367 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -0.188 -5.681 12.774 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -0.211 -7.433 12.749 1.00 10.00 H new ATOM 0 HD2 LYS A 23 1.628 -7.424 11.032 1.00 10.00 H new ATOM 0 HD3 LYS A 23 1.660 -5.673 11.086 1.00 10.00 H new ATOM 0 HE2 LYS A 23 2.248 -5.724 13.500 1.00 10.00 H new ATOM 0 HE3 LYS A 23 2.122 -7.472 13.518 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 4.408 -6.761 13.330 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 3.940 -7.593 11.926 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 4.063 -5.899 11.908 1.00 10.00 H new ATOM 337 N LEU A 24 -3.401 -4.489 10.670 1.00 10.00 N ATOM 338 CA LEU A 24 -3.792 -3.085 10.645 1.00 10.00 C ATOM 339 C LEU A 24 -5.211 -2.834 11.187 1.00 10.00 C ATOM 340 O LEU A 24 -5.364 -2.056 12.121 1.00 10.00 O ATOM 341 CB LEU A 24 -3.623 -2.555 9.217 1.00 10.00 C ATOM 342 CG LEU A 24 -2.175 -2.472 8.694 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.172 -1.668 7.389 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.200 -1.801 9.668 1.00 10.00 C ATOM 0 H LEU A 24 -3.512 -4.939 9.761 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.137 -2.537 11.323 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.195 -3.193 8.544 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.065 -1.560 9.165 1.00 10.00 H new ATOM 0 HG LEU A 24 -1.835 -3.498 8.555 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.154 -1.600 7.006 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -2.804 -2.166 6.654 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.556 -0.666 7.578 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.203 -1.781 9.228 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -1.529 -0.781 9.868 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.174 -2.363 10.601 1.00 10.00 H new ATOM 356 N GLY A 25 -6.233 -3.480 10.607 1.00 10.00 N ATOM 357 CA GLY A 25 -7.637 -3.362 11.028 1.00 10.00 C ATOM 358 C GLY A 25 -8.564 -2.595 10.070 1.00 10.00 C ATOM 359 O GLY A 25 -9.588 -2.069 10.503 1.00 10.00 O ATOM 0 H GLY A 25 -6.104 -4.112 9.817 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.040 -4.365 11.167 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -7.664 -2.870 12.000 1.00 10.00 H new ATOM 363 N CYS A 26 -8.238 -2.552 8.768 1.00 10.00 N ATOM 364 CA CYS A 26 -8.896 -1.789 7.690 1.00 10.00 C ATOM 365 C CYS A 26 -8.751 -0.266 7.864 1.00 10.00 C ATOM 366 O CYS A 26 -8.293 0.419 6.948 1.00 10.00 O ATOM 367 CB CYS A 26 -10.357 -2.139 7.516 1.00 10.00 C ATOM 368 SG CYS A 26 -10.782 -3.904 7.399 1.00 10.00 S ATOM 0 H CYS A 26 -7.448 -3.090 8.413 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.367 -2.088 6.785 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -10.908 -1.714 8.355 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -10.718 -1.644 6.614 1.00 10.00 H new ATOM 373 N ASP A 27 -9.156 0.249 9.028 1.00 10.00 N ATOM 374 CA ASP A 27 -9.085 1.630 9.489 1.00 10.00 C ATOM 375 C ASP A 27 -7.815 2.349 9.014 1.00 10.00 C ATOM 376 O ASP A 27 -7.879 3.407 8.390 1.00 10.00 O ATOM 377 CB ASP A 27 -9.243 1.628 11.022 1.00 10.00 C ATOM 378 CG ASP A 27 -8.134 0.914 11.789 1.00 10.00 C ATOM 379 OD1 ASP A 27 -7.454 0.066 11.169 1.00 10.00 O ATOM 380 OD2 ASP A 27 -7.975 1.258 12.978 1.00 10.00 O ATOM 0 H ASP A 27 -9.581 -0.351 9.735 1.00 10.00 H new ATOM 0 HA ASP A 27 -9.897 2.207 9.046 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.295 2.661 11.367 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -10.195 1.160 11.272 1.00 10.00 H new ATOM 385 N ALA A 28 -6.669 1.708 9.240 1.00 10.00 N ATOM 386 CA ALA A 28 -5.333 2.109 8.822 1.00 10.00 C ATOM 387 C ALA A 28 -5.235 2.623 7.371 1.00 10.00 C ATOM 388 O ALA A 28 -4.353 3.423 7.072 1.00 10.00 O ATOM 389 CB ALA A 28 -4.434 0.891 9.010 1.00 10.00 C ATOM 0 H ALA A 28 -6.653 0.830 9.759 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.029 2.960 9.431 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.416 1.140 8.709 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.440 0.593 10.058 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -4.802 0.069 8.397 1.00 10.00 H new ATOM 395 N CYS A 29 -6.112 2.153 6.471 1.00 10.00 N ATOM 396 CA CYS A 29 -6.171 2.576 5.070 1.00 10.00 C ATOM 397 C CYS A 29 -7.524 3.220 4.700 1.00 10.00 C ATOM 398 O CYS A 29 -7.741 3.596 3.547 1.00 10.00 O ATOM 399 CB CYS A 29 -5.942 1.373 4.191 1.00 10.00 C ATOM 400 SG CYS A 29 -4.304 0.584 4.399 1.00 10.00 S ATOM 0 H CYS A 29 -6.815 1.452 6.706 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.399 3.331 4.919 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.716 0.634 4.398 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.058 1.672 3.149 1.00 10.00 H new ATOM 405 N HIS A 30 -8.473 3.299 5.637 1.00 10.00 N ATOM 406 CA HIS A 30 -9.881 3.504 5.325 1.00 10.00 C ATOM 407 C HIS A 30 -10.670 4.085 6.505 1.00 10.00 C ATOM 408 O HIS A 30 -11.160 3.340 7.352 1.00 10.00 O ATOM 409 CB HIS A 30 -10.473 2.145 4.930 1.00 10.00 C ATOM 410 CG HIS A 30 -10.036 1.553 3.627 1.00 10.00 C ATOM 411 ND1 HIS A 30 -9.942 2.183 2.416 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.876 0.225 3.401 1.00 10.00 C ATOM 413 CE1 HIS A 30 -9.705 1.240 1.476 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.654 0.019 2.033 1.00 10.00 N ATOM 0 H HIS A 30 -8.280 3.222 6.636 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.955 4.228 4.514 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.235 1.432 5.720 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.558 2.245 4.907 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.034 3.185 2.252 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.914 -0.548 4.154 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -9.575 1.441 0.423 1.00 10.00 H new ATOM 422 N GLU A 31 -10.887 5.404 6.516 1.00 10.00 N ATOM 423 CA GLU A 31 -11.630 6.061 7.579 1.00 10.00 C ATOM 424 C GLU A 31 -13.126 5.685 7.603 1.00 10.00 C ATOM 425 O GLU A 31 -13.984 6.420 7.113 1.00 10.00 O ATOM 426 CB GLU A 31 -11.417 7.577 7.497 1.00 10.00 C ATOM 427 CG GLU A 31 -9.950 7.959 7.747 1.00 10.00 C ATOM 428 CD GLU A 31 -9.760 9.469 7.776 1.00 10.00 C ATOM 429 OE1 GLU A 31 -10.112 10.061 8.819 1.00 10.00 O ATOM 430 OE2 GLU A 31 -9.278 9.998 6.752 1.00 10.00 O ATOM 0 H GLU A 31 -10.552 6.037 5.790 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.235 5.699 8.528 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.724 7.935 6.514 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -12.052 8.074 8.230 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.619 7.532 8.694 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.323 7.528 6.966 1.00 10.00 H new ATOM 437 N GLY A 32 -13.454 4.530 8.186 1.00 10.00 N ATOM 438 CA GLY A 32 -14.824 4.115 8.484 1.00 10.00 C ATOM 439 C GLY A 32 -15.581 3.585 7.261 1.00 10.00 C ATOM 440 O GLY A 32 -16.080 2.463 7.285 1.00 10.00 O ATOM 0 H GLY A 32 -12.757 3.842 8.470 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.802 3.341 9.252 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.370 4.962 8.900 1.00 10.00 H new ATOM 444 N THR A 33 -15.666 4.383 6.192 1.00 10.00 N ATOM 445 CA THR A 33 -16.246 3.972 4.908 1.00 10.00 C ATOM 446 C THR A 33 -15.133 3.513 3.957 1.00 10.00 C ATOM 447 O THR A 33 -14.497 4.359 3.328 1.00 10.00 O ATOM 448 CB THR A 33 -17.037 5.125 4.270 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.008 5.584 5.180 1.00 10.00 O ATOM 450 CG2 THR A 33 -17.781 4.668 3.013 1.00 10.00 C ATOM 0 H THR A 33 -15.329 5.346 6.194 1.00 10.00 H new ATOM 0 HA THR A 33 -16.932 3.144 5.089 1.00 10.00 H new ATOM 0 HB THR A 33 -16.322 5.906 4.010 1.00 10.00 H new ATOM 0 HG1 THR A 33 -18.513 6.321 4.776 1.00 10.00 H new ATOM 0 HG21 THR A 33 -18.329 5.509 2.589 1.00 10.00 H new ATOM 0 HG22 THR A 33 -17.064 4.296 2.281 1.00 10.00 H new ATOM 0 HG23 THR A 33 -18.480 3.873 3.273 1.00 10.00 H new ATOM 458 N PRO A 34 -14.862 2.206 3.825 1.00 10.00 N ATOM 459 CA PRO A 34 -13.871 1.738 2.872 1.00 10.00 C ATOM 460 C PRO A 34 -14.375 1.914 1.436 1.00 10.00 C ATOM 461 O PRO A 34 -15.573 1.826 1.173 1.00 10.00 O ATOM 462 CB PRO A 34 -13.663 0.270 3.216 1.00 10.00 C ATOM 463 CG PRO A 34 -15.029 -0.160 3.747 1.00 10.00 C ATOM 464 CD PRO A 34 -15.487 1.081 4.508 1.00 10.00 C ATOM 0 HA PRO A 34 -12.939 2.300 2.931 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.370 -0.311 2.342 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.881 0.138 3.963 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.715 -0.419 2.941 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -14.957 -1.032 4.397 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.573 1.169 4.498 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -15.181 1.036 5.553 1.00 10.00 H new ATOM 472 N ALA A 35 -13.454 2.168 0.503 1.00 10.00 N ATOM 473 CA ALA A 35 -13.775 2.509 -0.878 1.00 10.00 C ATOM 474 C ALA A 35 -12.531 2.351 -1.767 1.00 10.00 C ATOM 475 O ALA A 35 -11.418 2.198 -1.256 1.00 10.00 O ATOM 476 CB ALA A 35 -14.322 3.944 -0.910 1.00 10.00 C ATOM 0 H ALA A 35 -12.452 2.141 0.692 1.00 10.00 H new ATOM 0 HA ALA A 35 -14.535 1.834 -1.271 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -14.568 4.217 -1.936 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -15.219 4.005 -0.293 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -13.568 4.629 -0.523 1.00 10.00 H new ATOM 482 N LYS A 36 -12.702 2.389 -3.095 1.00 10.00 N ATOM 483 CA LYS A 36 -11.572 2.340 -4.022 1.00 10.00 C ATOM 484 C LYS A 36 -10.829 3.678 -4.106 1.00 10.00 C ATOM 485 O LYS A 36 -11.227 4.584 -4.835 1.00 10.00 O ATOM 486 CB LYS A 36 -11.919 1.782 -5.412 1.00 10.00 C ATOM 487 CG LYS A 36 -13.275 2.210 -5.979 1.00 10.00 C ATOM 488 CD LYS A 36 -14.288 1.092 -5.701 1.00 10.00 C ATOM 489 CE LYS A 36 -15.661 1.307 -6.341 1.00 10.00 C ATOM 490 NZ LYS A 36 -16.523 0.143 -6.040 1.00 10.00 N ATOM 0 H LYS A 36 -13.614 2.454 -3.548 1.00 10.00 H new ATOM 0 HA LYS A 36 -10.885 1.613 -3.588 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.141 2.088 -6.111 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -11.893 0.693 -5.363 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.602 3.142 -5.518 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.197 2.394 -7.051 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -13.877 0.149 -6.061 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -14.415 0.994 -4.623 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -16.116 2.221 -5.958 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -15.558 1.430 -7.419 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -17.464 0.290 -6.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -16.097 -0.717 -6.440 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -16.615 0.036 -5.010 1.00 10.00 H new ATOM 504 N ILE A 37 -9.725 3.779 -3.366 1.00 10.00 N ATOM 505 CA ILE A 37 -8.768 4.875 -3.478 1.00 10.00 C ATOM 506 C ILE A 37 -8.001 4.729 -4.804 1.00 10.00 C ATOM 507 O ILE A 37 -7.545 3.634 -5.126 1.00 10.00 O ATOM 508 CB ILE A 37 -7.805 4.827 -2.275 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.575 4.926 -0.942 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.774 5.964 -2.370 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.712 4.553 0.267 1.00 10.00 C ATOM 0 H ILE A 37 -9.468 3.089 -2.660 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.281 5.837 -3.473 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.285 3.869 -2.300 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -8.948 5.942 -0.817 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.444 4.269 -0.979 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.101 5.917 -1.514 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.199 5.858 -3.290 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.290 6.924 -2.374 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -8.304 4.640 1.178 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -7.360 3.527 0.160 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.856 5.226 0.325 1.00 10.00 H new ATOM 523 N ALA A 38 -7.834 5.812 -5.570 1.00 10.00 N ATOM 524 CA ALA A 38 -7.032 5.762 -6.791 1.00 10.00 C ATOM 525 C ALA A 38 -5.530 5.734 -6.489 1.00 10.00 C ATOM 526 O ALA A 38 -4.933 6.731 -6.073 1.00 10.00 O ATOM 527 CB ALA A 38 -7.381 6.915 -7.722 1.00 10.00 C ATOM 0 H ALA A 38 -8.241 6.725 -5.367 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.276 4.829 -7.299 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.770 6.853 -8.622 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.435 6.857 -7.994 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.189 7.862 -7.217 1.00 10.00 H new ATOM 533 N ILE A 39 -4.932 4.563 -6.690 1.00 10.00 N ATOM 534 CA ILE A 39 -3.522 4.300 -6.456 1.00 10.00 C ATOM 535 C ILE A 39 -2.720 4.318 -7.757 1.00 10.00 C ATOM 536 O ILE A 39 -2.839 3.425 -8.591 1.00 10.00 O ATOM 537 CB ILE A 39 -3.350 2.974 -5.717 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.144 2.961 -4.403 1.00 10.00 C ATOM 539 CG2 ILE A 39 -1.857 2.728 -5.464 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.753 4.042 -3.389 1.00 10.00 C ATOM 0 H ILE A 39 -5.436 3.745 -7.032 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.127 5.100 -5.830 1.00 10.00 H new ATOM 0 HB ILE A 39 -3.746 2.169 -6.336 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.203 3.072 -4.637 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.022 1.985 -3.934 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -1.728 1.783 -4.937 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.328 2.687 -6.416 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.452 3.539 -4.859 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.372 3.946 -2.497 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.704 3.923 -3.117 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.904 5.027 -3.831 1.00 10.00 H new ATOM 552 N ASP A 40 -1.850 5.315 -7.867 1.00 10.00 N ATOM 553 CA ASP A 40 -0.938 5.521 -8.974 1.00 10.00 C ATOM 554 C ASP A 40 0.502 5.545 -8.444 1.00 10.00 C ATOM 555 O ASP A 40 0.744 5.788 -7.259 1.00 10.00 O ATOM 556 CB ASP A 40 -1.235 6.903 -9.586 1.00 10.00 C ATOM 557 CG ASP A 40 -2.628 7.106 -10.160 1.00 10.00 C ATOM 558 OD1 ASP A 40 -3.616 6.928 -9.422 1.00 10.00 O ATOM 559 OD2 ASP A 40 -2.650 7.673 -11.276 1.00 10.00 O ATOM 0 H ASP A 40 -1.761 6.034 -7.149 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.058 4.725 -9.709 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.069 7.659 -8.818 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -0.509 7.088 -10.378 1.00 10.00 H new ATOM 564 N LYS A 41 1.453 5.560 -9.375 1.00 10.00 N ATOM 565 CA LYS A 41 2.808 6.100 -9.241 1.00 10.00 C ATOM 566 C LYS A 41 2.893 7.549 -8.701 1.00 10.00 C ATOM 567 O LYS A 41 3.990 8.090 -8.571 1.00 10.00 O ATOM 568 CB LYS A 41 3.507 5.973 -10.606 1.00 10.00 C ATOM 569 CG LYS A 41 2.874 6.868 -11.690 1.00 10.00 C ATOM 570 CD LYS A 41 3.352 6.488 -13.102 1.00 10.00 C ATOM 571 CE LYS A 41 2.558 5.276 -13.615 1.00 10.00 C ATOM 572 NZ LYS A 41 3.164 4.664 -14.816 1.00 10.00 N ATOM 0 H LYS A 41 1.289 5.171 -10.304 1.00 10.00 H new ATOM 0 HA LYS A 41 3.313 5.511 -8.476 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.559 6.234 -10.495 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.469 4.934 -10.933 1.00 10.00 H new ATOM 0 HG2 LYS A 41 1.788 6.785 -11.640 1.00 10.00 H new ATOM 0 HG3 LYS A 41 3.124 7.910 -11.491 1.00 10.00 H new ATOM 0 HD2 LYS A 41 3.221 7.332 -13.779 1.00 10.00 H new ATOM 0 HD3 LYS A 41 4.417 6.255 -13.085 1.00 10.00 H new ATOM 0 HE2 LYS A 41 2.493 4.528 -12.825 1.00 10.00 H new ATOM 0 HE3 LYS A 41 1.539 5.586 -13.845 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 2.453 4.606 -15.573 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 3.964 5.246 -15.136 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 3.502 3.708 -14.585 1.00 10.00 H new ATOM 586 N LYS A 42 1.758 8.188 -8.391 1.00 10.00 N ATOM 587 CA LYS A 42 1.649 9.429 -7.633 1.00 10.00 C ATOM 588 C LYS A 42 1.227 9.114 -6.184 1.00 10.00 C ATOM 589 O LYS A 42 2.031 9.244 -5.264 1.00 10.00 O ATOM 590 CB LYS A 42 0.662 10.366 -8.355 1.00 10.00 C ATOM 591 CG LYS A 42 1.202 10.766 -9.739 1.00 10.00 C ATOM 592 CD LYS A 42 0.208 11.577 -10.594 1.00 10.00 C ATOM 593 CE LYS A 42 -0.660 10.713 -11.528 1.00 10.00 C ATOM 594 NZ LYS A 42 -1.725 9.985 -10.808 1.00 10.00 N ATOM 0 H LYS A 42 0.847 7.830 -8.680 1.00 10.00 H new ATOM 0 HA LYS A 42 2.610 9.941 -7.577 1.00 10.00 H new ATOM 0 HB2 LYS A 42 -0.303 9.870 -8.465 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.495 11.259 -7.753 1.00 10.00 H new ATOM 0 HG2 LYS A 42 2.112 11.351 -9.606 1.00 10.00 H new ATOM 0 HG3 LYS A 42 1.480 9.863 -10.283 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -0.444 12.148 -9.933 1.00 10.00 H new ATOM 0 HD3 LYS A 42 0.763 12.298 -11.194 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -1.112 11.350 -12.289 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -0.024 9.997 -12.048 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -2.098 9.227 -11.414 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -1.335 9.571 -9.937 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -2.492 10.643 -10.565 1.00 10.00 H new ATOM 608 N SER A 43 -0.020 8.681 -5.967 1.00 10.00 N ATOM 609 CA SER A 43 -0.588 8.350 -4.660 1.00 10.00 C ATOM 610 C SER A 43 0.275 7.361 -3.867 1.00 10.00 C ATOM 611 O SER A 43 0.630 7.640 -2.723 1.00 10.00 O ATOM 612 CB SER A 43 -2.033 7.847 -4.853 1.00 10.00 C ATOM 613 OG SER A 43 -2.287 7.552 -6.219 1.00 10.00 O ATOM 0 H SER A 43 -0.685 8.547 -6.728 1.00 10.00 H new ATOM 0 HA SER A 43 -0.605 9.254 -4.051 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.196 6.955 -4.247 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.736 8.603 -4.503 1.00 10.00 H new ATOM 0 HG SER A 43 -3.111 8.001 -6.503 1.00 10.00 H new ATOM 619 N ALA A 44 0.647 6.231 -4.476 1.00 10.00 N ATOM 620 CA ALA A 44 1.513 5.232 -3.848 1.00 10.00 C ATOM 621 C ALA A 44 2.833 5.837 -3.362 1.00 10.00 C ATOM 622 O ALA A 44 3.299 5.554 -2.254 1.00 10.00 O ATOM 623 CB ALA A 44 1.822 4.129 -4.858 1.00 10.00 C ATOM 0 H ALA A 44 0.354 5.984 -5.421 1.00 10.00 H new ATOM 0 HA ALA A 44 0.984 4.834 -2.982 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.467 3.382 -4.395 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.893 3.658 -5.178 1.00 10.00 H new ATOM 0 HB3 ALA A 44 2.327 4.559 -5.723 1.00 10.00 H new ATOM 629 N HIS A 45 3.445 6.649 -4.232 1.00 10.00 N ATOM 630 CA HIS A 45 4.759 7.230 -4.011 1.00 10.00 C ATOM 631 C HIS A 45 4.737 8.522 -3.174 1.00 10.00 C ATOM 632 O HIS A 45 5.806 9.015 -2.803 1.00 10.00 O ATOM 633 CB HIS A 45 5.456 7.486 -5.344 1.00 10.00 C ATOM 634 CG HIS A 45 5.679 6.295 -6.245 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.829 6.416 -7.599 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.918 4.981 -5.917 1.00 10.00 C ATOM 637 CE1 HIS A 45 6.152 5.212 -8.082 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.214 4.290 -7.105 1.00 10.00 N ATOM 0 H HIS A 45 3.027 6.921 -5.122 1.00 10.00 H new ATOM 0 HA HIS A 45 5.316 6.496 -3.429 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.871 8.222 -5.895 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.425 7.939 -5.137 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.715 7.271 -8.143 1.00 10.00 H new ATOM 0 HD2 HIS A 45 5.884 4.556 -4.925 1.00 10.00 H new ATOM 0 HE1 HIS A 45 6.340 5.006 -9.125 1.00 10.00 H new ATOM 646 N LYS A 46 3.555 9.070 -2.878 1.00 10.00 N ATOM 647 CA LYS A 46 3.376 10.137 -1.899 1.00 10.00 C ATOM 648 C LYS A 46 3.018 9.537 -0.527 1.00 10.00 C ATOM 649 O LYS A 46 3.877 8.994 0.173 1.00 10.00 O ATOM 650 CB LYS A 46 2.306 11.119 -2.406 1.00 10.00 C ATOM 651 CG LYS A 46 2.785 11.970 -3.586 1.00 10.00 C ATOM 652 CD LYS A 46 1.614 12.853 -4.041 1.00 10.00 C ATOM 653 CE LYS A 46 2.046 13.807 -5.160 1.00 10.00 C ATOM 654 NZ LYS A 46 0.945 14.720 -5.540 1.00 10.00 N ATOM 0 H LYS A 46 2.684 8.778 -3.321 1.00 10.00 H new ATOM 0 HA LYS A 46 4.305 10.693 -1.773 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.420 10.559 -2.705 1.00 10.00 H new ATOM 0 HB3 LYS A 46 2.007 11.776 -1.589 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.635 12.586 -3.291 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.122 11.333 -4.404 1.00 10.00 H new ATOM 0 HD2 LYS A 46 0.795 12.225 -4.390 1.00 10.00 H new ATOM 0 HD3 LYS A 46 1.237 13.427 -3.195 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.908 14.389 -4.833 1.00 10.00 H new ATOM 0 HE3 LYS A 46 2.362 13.232 -6.030 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 1.266 15.354 -6.299 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 0.132 14.164 -5.874 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 0.662 15.285 -4.714 1.00 10.00 H new ATOM 668 N ASP A 47 1.749 9.655 -0.133 1.00 10.00 N ATOM 669 CA ASP A 47 1.301 9.348 1.209 1.00 10.00 C ATOM 670 C ASP A 47 0.915 7.866 1.335 1.00 10.00 C ATOM 671 O ASP A 47 1.525 7.113 2.099 1.00 10.00 O ATOM 672 CB ASP A 47 0.177 10.330 1.573 1.00 10.00 C ATOM 673 CG ASP A 47 0.202 10.652 3.056 1.00 10.00 C ATOM 674 OD1 ASP A 47 0.286 9.683 3.838 1.00 10.00 O ATOM 675 OD2 ASP A 47 0.167 11.861 3.368 1.00 10.00 O ATOM 0 H ASP A 47 1.001 9.971 -0.751 1.00 10.00 H new ATOM 0 HA ASP A 47 2.104 9.483 1.934 1.00 10.00 H new ATOM 0 HB2 ASP A 47 0.288 11.247 0.995 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.788 9.900 1.306 1.00 10.00 H new ATOM 680 N ALA A 48 -0.063 7.460 0.512 1.00 10.00 N ATOM 681 CA ALA A 48 -0.873 6.244 0.617 1.00 10.00 C ATOM 682 C ALA A 48 -0.167 5.015 1.202 1.00 10.00 C ATOM 683 O ALA A 48 -0.710 4.370 2.094 1.00 10.00 O ATOM 684 CB ALA A 48 -1.472 5.923 -0.756 1.00 10.00 C ATOM 0 H ALA A 48 -0.325 8.015 -0.302 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.649 6.470 1.348 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.077 5.019 -0.687 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.097 6.754 -1.083 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.669 5.768 -1.476 1.00 10.00 H new ATOM 690 N CYS A 49 1.014 4.668 0.681 1.00 10.00 N ATOM 691 CA CYS A 49 1.764 3.482 1.099 1.00 10.00 C ATOM 692 C CYS A 49 3.119 3.864 1.711 1.00 10.00 C ATOM 693 O CYS A 49 3.386 3.592 2.885 1.00 10.00 O ATOM 694 CB CYS A 49 1.911 2.535 -0.071 1.00 10.00 C ATOM 695 SG CYS A 49 0.345 2.190 -0.944 1.00 10.00 S ATOM 0 H CYS A 49 1.479 5.208 -0.049 1.00 10.00 H new ATOM 0 HA CYS A 49 1.209 2.968 1.883 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.625 2.956 -0.779 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.332 1.595 0.286 1.00 10.00 H new ATOM 700 N LYS A 50 3.987 4.517 0.927 1.00 10.00 N ATOM 701 CA LYS A 50 5.315 4.912 1.392 1.00 10.00 C ATOM 702 C LYS A 50 5.305 5.665 2.728 1.00 10.00 C ATOM 703 O LYS A 50 6.161 5.400 3.568 1.00 10.00 O ATOM 704 CB LYS A 50 6.049 5.750 0.336 1.00 10.00 C ATOM 705 CG LYS A 50 7.083 4.938 -0.468 1.00 10.00 C ATOM 706 CD LYS A 50 8.185 5.847 -1.052 1.00 10.00 C ATOM 707 CE LYS A 50 7.578 6.769 -2.111 1.00 10.00 C ATOM 708 NZ LYS A 50 8.221 8.095 -2.218 1.00 10.00 N ATOM 0 H LYS A 50 3.788 4.782 -0.037 1.00 10.00 H new ATOM 0 HA LYS A 50 5.849 3.976 1.557 1.00 10.00 H new ATOM 0 HB2 LYS A 50 5.319 6.179 -0.351 1.00 10.00 H new ATOM 0 HB3 LYS A 50 6.552 6.583 0.827 1.00 10.00 H new ATOM 0 HG2 LYS A 50 7.535 4.184 0.176 1.00 10.00 H new ATOM 0 HG3 LYS A 50 6.581 4.407 -1.277 1.00 10.00 H new ATOM 0 HD2 LYS A 50 8.642 6.438 -0.258 1.00 10.00 H new ATOM 0 HD3 LYS A 50 8.976 5.240 -1.493 1.00 10.00 H new ATOM 0 HE2 LYS A 50 7.635 6.273 -3.080 1.00 10.00 H new ATOM 0 HE3 LYS A 50 6.521 6.910 -1.887 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 7.500 8.814 -2.429 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.689 8.327 -1.319 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 8.927 8.078 -2.982 1.00 10.00 H new ATOM 722 N THR A 51 4.392 6.619 2.940 1.00 10.00 N ATOM 723 CA THR A 51 4.447 7.423 4.163 1.00 10.00 C ATOM 724 C THR A 51 4.050 6.612 5.405 1.00 10.00 C ATOM 725 O THR A 51 4.656 6.783 6.462 1.00 10.00 O ATOM 726 CB THR A 51 3.700 8.750 3.997 1.00 10.00 C ATOM 727 OG1 THR A 51 4.322 9.464 2.939 1.00 10.00 O ATOM 728 CG2 THR A 51 3.817 9.630 5.243 1.00 10.00 C ATOM 0 H THR A 51 3.629 6.848 2.303 1.00 10.00 H new ATOM 0 HA THR A 51 5.485 7.702 4.341 1.00 10.00 H new ATOM 0 HB THR A 51 2.649 8.528 3.811 1.00 10.00 H new ATOM 0 HG1 THR A 51 4.120 9.026 2.086 1.00 10.00 H new ATOM 0 HG21 THR A 51 3.273 10.561 5.083 1.00 10.00 H new ATOM 0 HG22 THR A 51 3.394 9.105 6.100 1.00 10.00 H new ATOM 0 HG23 THR A 51 4.867 9.851 5.435 1.00 10.00 H new ATOM 736 N CYS A 52 3.126 5.647 5.282 1.00 10.00 N ATOM 737 CA CYS A 52 2.945 4.654 6.348 1.00 10.00 C ATOM 738 C CYS A 52 4.243 3.875 6.562 1.00 10.00 C ATOM 739 O CYS A 52 4.784 3.861 7.665 1.00 10.00 O ATOM 740 CB CYS A 52 1.792 3.721 6.082 1.00 10.00 C ATOM 741 SG CYS A 52 1.663 2.566 7.493 1.00 10.00 S ATOM 0 H CYS A 52 2.509 5.535 4.478 1.00 10.00 H new ATOM 0 HA CYS A 52 2.697 5.195 7.261 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.866 4.284 5.964 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.952 3.172 5.154 1.00 10.00 H new ATOM 746 N HIS A 53 4.790 3.279 5.497 1.00 10.00 N ATOM 747 CA HIS A 53 6.063 2.567 5.565 1.00 10.00 C ATOM 748 C HIS A 53 7.176 3.382 6.274 1.00 10.00 C ATOM 749 O HIS A 53 7.926 2.822 7.071 1.00 10.00 O ATOM 750 CB HIS A 53 6.450 2.131 4.142 1.00 10.00 C ATOM 751 CG HIS A 53 5.632 1.012 3.556 1.00 10.00 C ATOM 752 ND1 HIS A 53 5.935 0.339 2.401 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.516 0.426 4.081 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.016 -0.633 2.238 1.00 10.00 C ATOM 755 NE2 HIS A 53 4.125 -0.628 3.240 1.00 10.00 N ATOM 0 H HIS A 53 4.363 3.278 4.571 1.00 10.00 H new ATOM 0 HA HIS A 53 5.945 1.682 6.190 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.373 2.996 3.483 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.497 1.827 4.147 1.00 10.00 H new ATOM 0 HD1 HIS A 53 6.716 0.538 1.776 1.00 10.00 H new ATOM 0 HD2 HIS A 53 4.017 0.724 4.991 1.00 10.00 H new ATOM 0 HE1 HIS A 53 4.999 -1.325 1.409 1.00 10.00 H new ATOM 763 N LYS A 54 7.272 4.689 6.002 1.00 10.00 N ATOM 764 CA LYS A 54 8.166 5.626 6.686 1.00 10.00 C ATOM 765 C LYS A 54 7.788 5.922 8.145 1.00 10.00 C ATOM 766 O LYS A 54 8.674 6.129 8.969 1.00 10.00 O ATOM 767 CB LYS A 54 8.222 6.941 5.923 1.00 10.00 C ATOM 768 CG LYS A 54 9.038 6.810 4.640 1.00 10.00 C ATOM 769 CD LYS A 54 9.705 8.166 4.418 1.00 10.00 C ATOM 770 CE LYS A 54 10.531 8.247 3.131 1.00 10.00 C ATOM 771 NZ LYS A 54 11.764 7.437 3.231 1.00 10.00 N ATOM 0 H LYS A 54 6.711 5.136 5.277 1.00 10.00 H new ATOM 0 HA LYS A 54 9.137 5.132 6.708 1.00 10.00 H new ATOM 0 HB2 LYS A 54 7.210 7.265 5.680 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.660 7.712 6.557 1.00 10.00 H new ATOM 0 HG2 LYS A 54 9.783 6.020 4.732 1.00 10.00 H new ATOM 0 HG3 LYS A 54 8.398 6.548 3.797 1.00 10.00 H new ATOM 0 HD2 LYS A 54 8.936 8.939 4.394 1.00 10.00 H new ATOM 0 HD3 LYS A 54 10.352 8.386 5.268 1.00 10.00 H new ATOM 0 HE2 LYS A 54 9.932 7.899 2.290 1.00 10.00 H new ATOM 0 HE3 LYS A 54 10.791 9.286 2.928 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 12.302 7.512 2.344 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 12.346 7.786 4.019 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 11.513 6.442 3.400 1.00 10.00 H new ATOM 785 N SER A 55 6.494 6.010 8.466 1.00 10.00 N ATOM 786 CA SER A 55 6.046 6.228 9.839 1.00 10.00 C ATOM 787 C SER A 55 6.357 4.989 10.683 1.00 10.00 C ATOM 788 O SER A 55 6.710 5.084 11.857 1.00 10.00 O ATOM 789 CB SER A 55 4.547 6.541 9.830 1.00 10.00 C ATOM 790 OG SER A 55 4.077 6.761 11.146 1.00 10.00 O ATOM 0 H SER A 55 5.737 5.933 7.787 1.00 10.00 H new ATOM 0 HA SER A 55 6.572 7.074 10.282 1.00 10.00 H new ATOM 0 HB2 SER A 55 4.358 7.423 9.218 1.00 10.00 H new ATOM 0 HB3 SER A 55 4.000 5.715 9.376 1.00 10.00 H new ATOM 0 HG SER A 55 3.118 6.961 11.122 1.00 10.00 H new ATOM 796 N ASN A 56 6.236 3.824 10.046 1.00 10.00 N ATOM 797 CA ASN A 56 6.577 2.526 10.583 1.00 10.00 C ATOM 798 C ASN A 56 8.030 2.140 10.253 1.00 10.00 C ATOM 799 O ASN A 56 8.877 2.999 10.032 1.00 10.00 O ATOM 800 CB ASN A 56 5.555 1.537 10.005 1.00 10.00 C ATOM 801 CG ASN A 56 5.187 0.530 11.068 1.00 10.00 C ATOM 802 OD1 ASN A 56 5.818 -0.513 11.193 1.00 10.00 O ATOM 803 ND2 ASN A 56 4.191 0.878 11.867 1.00 10.00 N ATOM 0 H ASN A 56 5.878 3.768 9.093 1.00 10.00 H new ATOM 0 HA ASN A 56 6.529 2.523 11.672 1.00 10.00 H new ATOM 0 HB2 ASN A 56 4.666 2.069 9.667 1.00 10.00 H new ATOM 0 HB3 ASN A 56 5.973 1.030 9.135 1.00 10.00 H new ATOM 0 HD21 ASN A 56 3.914 0.265 12.634 1.00 10.00 H new ATOM 0 HD22 ASN A 56 3.700 1.759 11.716 1.00 10.00 H new ATOM 810 N ASN A 57 8.315 0.835 10.201 1.00 10.00 N ATOM 811 CA ASN A 57 9.616 0.303 9.787 1.00 10.00 C ATOM 812 C ASN A 57 9.488 -0.442 8.451 1.00 10.00 C ATOM 813 O ASN A 57 9.878 -1.599 8.333 1.00 10.00 O ATOM 814 CB ASN A 57 10.175 -0.591 10.904 1.00 10.00 C ATOM 815 CG ASN A 57 10.466 0.207 12.169 1.00 10.00 C ATOM 816 OD1 ASN A 57 11.577 0.673 12.380 1.00 10.00 O ATOM 817 ND2 ASN A 57 9.479 0.372 13.039 1.00 10.00 N ATOM 0 H ASN A 57 7.641 0.111 10.448 1.00 10.00 H new ATOM 0 HA ASN A 57 10.320 1.119 9.625 1.00 10.00 H new ATOM 0 HB2 ASN A 57 9.460 -1.383 11.129 1.00 10.00 H new ATOM 0 HB3 ASN A 57 11.089 -1.075 10.560 1.00 10.00 H new ATOM 0 HD21 ASN A 57 9.640 0.894 13.900 1.00 10.00 H new ATOM 0 HD22 ASN A 57 8.559 -0.023 12.847 1.00 10.00 H new ATOM 824 N GLY A 58 8.918 0.216 7.437 1.00 10.00 N ATOM 825 CA GLY A 58 8.622 -0.428 6.161 1.00 10.00 C ATOM 826 C GLY A 58 9.854 -0.630 5.268 1.00 10.00 C ATOM 827 O GLY A 58 10.867 0.061 5.433 1.00 10.00 O ATOM 0 H GLY A 58 8.652 1.200 7.479 1.00 10.00 H new ATOM 0 HA2 GLY A 58 8.161 -1.397 6.352 1.00 10.00 H new ATOM 0 HA3 GLY A 58 7.889 0.173 5.623 1.00 10.00 H new ATOM 831 N PRO A 59 9.765 -1.542 4.282 1.00 10.00 N ATOM 832 CA PRO A 59 10.864 -1.889 3.388 1.00 10.00 C ATOM 833 C PRO A 59 11.205 -0.714 2.461 1.00 10.00 C ATOM 834 O PRO A 59 10.789 -0.646 1.305 1.00 10.00 O ATOM 835 CB PRO A 59 10.389 -3.143 2.645 1.00 10.00 C ATOM 836 CG PRO A 59 8.875 -2.959 2.595 1.00 10.00 C ATOM 837 CD PRO A 59 8.588 -2.339 3.963 1.00 10.00 C ATOM 0 HA PRO A 59 11.796 -2.094 3.915 1.00 10.00 H new ATOM 0 HB2 PRO A 59 10.821 -3.208 1.646 1.00 10.00 H new ATOM 0 HB3 PRO A 59 10.668 -4.055 3.173 1.00 10.00 H new ATOM 0 HG2 PRO A 59 8.570 -2.305 1.778 1.00 10.00 H new ATOM 0 HG3 PRO A 59 8.353 -3.906 2.458 1.00 10.00 H new ATOM 0 HD2 PRO A 59 7.691 -1.720 3.933 1.00 10.00 H new ATOM 0 HD3 PRO A 59 8.419 -3.109 4.716 1.00 10.00 H new ATOM 845 N THR A 60 11.970 0.239 2.996 1.00 10.00 N ATOM 846 CA THR A 60 12.270 1.531 2.382 1.00 10.00 C ATOM 847 C THR A 60 13.272 1.391 1.227 1.00 10.00 C ATOM 848 O THR A 60 14.428 1.791 1.325 1.00 10.00 O ATOM 849 CB THR A 60 12.726 2.508 3.480 1.00 10.00 C ATOM 850 OG1 THR A 60 11.699 2.619 4.451 1.00 10.00 O ATOM 851 CG2 THR A 60 12.960 3.930 2.961 1.00 10.00 C ATOM 0 H THR A 60 12.415 0.126 3.907 1.00 10.00 H new ATOM 0 HA THR A 60 11.372 1.942 1.921 1.00 10.00 H new ATOM 0 HB THR A 60 13.660 2.108 3.875 1.00 10.00 H new ATOM 0 HG1 THR A 60 11.553 1.747 4.874 1.00 10.00 H new ATOM 0 HG21 THR A 60 13.280 4.570 3.784 1.00 10.00 H new ATOM 0 HG22 THR A 60 13.733 3.914 2.192 1.00 10.00 H new ATOM 0 HG23 THR A 60 12.034 4.320 2.537 1.00 10.00 H new ATOM 859 N LYS A 61 12.803 0.813 0.119 1.00 10.00 N ATOM 860 CA LYS A 61 13.551 0.549 -1.107 1.00 10.00 C ATOM 861 C LYS A 61 12.553 0.229 -2.231 1.00 10.00 C ATOM 862 O LYS A 61 11.539 -0.415 -1.967 1.00 10.00 O ATOM 863 CB LYS A 61 14.542 -0.607 -0.852 1.00 10.00 C ATOM 864 CG LYS A 61 13.843 -1.927 -0.478 1.00 10.00 C ATOM 865 CD LYS A 61 14.601 -2.748 0.576 1.00 10.00 C ATOM 866 CE LYS A 61 15.921 -3.308 0.034 1.00 10.00 C ATOM 867 NZ LYS A 61 16.577 -4.187 1.030 1.00 10.00 N ATOM 0 H LYS A 61 11.835 0.499 0.052 1.00 10.00 H new ATOM 0 HA LYS A 61 14.133 1.418 -1.413 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.147 -0.763 -1.745 1.00 10.00 H new ATOM 0 HB3 LYS A 61 15.224 -0.324 -0.050 1.00 10.00 H new ATOM 0 HG2 LYS A 61 12.843 -1.706 -0.104 1.00 10.00 H new ATOM 0 HG3 LYS A 61 13.720 -2.531 -1.377 1.00 10.00 H new ATOM 0 HD2 LYS A 61 14.803 -2.122 1.445 1.00 10.00 H new ATOM 0 HD3 LYS A 61 13.971 -3.571 0.915 1.00 10.00 H new ATOM 0 HE2 LYS A 61 15.733 -3.868 -0.882 1.00 10.00 H new ATOM 0 HE3 LYS A 61 16.589 -2.486 -0.226 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 17.468 -4.552 0.637 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 16.776 -3.644 1.894 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 15.948 -4.983 1.259 1.00 10.00 H new ATOM 881 N CYS A 62 12.798 0.660 -3.476 1.00 10.00 N ATOM 882 CA CYS A 62 11.887 0.401 -4.603 1.00 10.00 C ATOM 883 C CYS A 62 11.511 -1.086 -4.692 1.00 10.00 C ATOM 884 O CYS A 62 10.334 -1.459 -4.718 1.00 10.00 O ATOM 885 CB CYS A 62 12.504 0.854 -5.907 1.00 10.00 C ATOM 886 SG CYS A 62 13.223 2.525 -5.842 1.00 10.00 S ATOM 0 H CYS A 62 13.628 1.195 -3.731 1.00 10.00 H new ATOM 0 HA CYS A 62 10.977 0.974 -4.423 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.281 0.146 -6.195 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.743 0.827 -6.687 1.00 10.00 H new ATOM 891 N GLY A 63 12.543 -1.937 -4.659 1.00 10.00 N ATOM 892 CA GLY A 63 12.426 -3.390 -4.670 1.00 10.00 C ATOM 893 C GLY A 63 11.712 -3.988 -3.449 1.00 10.00 C ATOM 894 O GLY A 63 11.398 -5.172 -3.437 1.00 10.00 O ATOM 0 H GLY A 63 13.511 -1.618 -4.623 1.00 10.00 H new ATOM 0 HA2 GLY A 63 11.890 -3.690 -5.570 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.425 -3.820 -4.736 1.00 10.00 H new ATOM 898 N GLY A 64 11.458 -3.181 -2.413 1.00 10.00 N ATOM 899 CA GLY A 64 10.637 -3.560 -1.270 1.00 10.00 C ATOM 900 C GLY A 64 9.155 -3.642 -1.637 1.00 10.00 C ATOM 901 O GLY A 64 8.391 -4.340 -0.975 1.00 10.00 O ATOM 0 H GLY A 64 11.826 -2.232 -2.349 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.970 -4.525 -0.887 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.773 -2.834 -0.468 1.00 10.00 H new ATOM 905 N CYS A 65 8.757 -2.927 -2.696 1.00 10.00 N ATOM 906 CA CYS A 65 7.424 -3.022 -3.280 1.00 10.00 C ATOM 907 C CYS A 65 7.487 -3.773 -4.610 1.00 10.00 C ATOM 908 O CYS A 65 6.819 -4.783 -4.786 1.00 10.00 O ATOM 909 CB CYS A 65 6.853 -1.642 -3.446 1.00 10.00 C ATOM 910 SG CYS A 65 6.409 -0.942 -1.825 1.00 10.00 S ATOM 0 H CYS A 65 9.363 -2.260 -3.173 1.00 10.00 H new ATOM 0 HA CYS A 65 6.767 -3.585 -2.617 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.580 -0.998 -3.941 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.972 -1.680 -4.087 1.00 10.00 H new ATOM 915 N HIS A 66 8.288 -3.287 -5.559 1.00 10.00 N ATOM 916 CA HIS A 66 8.323 -3.845 -6.904 1.00 10.00 C ATOM 917 C HIS A 66 9.160 -5.134 -6.980 1.00 10.00 C ATOM 918 O HIS A 66 10.357 -5.097 -6.707 1.00 10.00 O ATOM 919 CB HIS A 66 8.856 -2.758 -7.840 1.00 10.00 C ATOM 920 CG HIS A 66 7.946 -1.576 -7.917 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.768 -1.565 -8.602 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.110 -0.345 -7.348 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.237 -0.341 -8.476 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.014 0.456 -7.722 1.00 10.00 N ATOM 0 H HIS A 66 8.924 -2.503 -5.416 1.00 10.00 H new ATOM 0 HA HIS A 66 7.319 -4.141 -7.207 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.838 -2.435 -7.495 1.00 10.00 H new ATOM 0 HB3 HIS A 66 8.990 -3.175 -8.838 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.364 -2.347 -9.117 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.935 -0.040 -6.722 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.303 -0.034 -8.923 1.00 10.00 H new ATOM 932 N ILE A 67 8.567 -6.257 -7.404 1.00 10.00 N ATOM 933 CA ILE A 67 9.330 -7.488 -7.650 1.00 10.00 C ATOM 934 C ILE A 67 10.527 -7.231 -8.586 1.00 10.00 C ATOM 935 O ILE A 67 10.377 -6.585 -9.622 1.00 10.00 O ATOM 936 CB ILE A 67 8.422 -8.596 -8.221 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.222 -8.932 -7.319 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.229 -9.872 -8.512 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.589 -9.369 -5.896 1.00 10.00 C ATOM 0 H ILE A 67 7.566 -6.339 -7.583 1.00 10.00 H new ATOM 0 HA ILE A 67 9.722 -7.827 -6.691 1.00 10.00 H new ATOM 0 HB ILE A 67 8.018 -8.196 -9.151 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.574 -8.057 -7.260 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.643 -9.726 -7.790 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.566 -10.638 -8.914 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.010 -9.651 -9.239 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.684 -10.233 -7.590 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.679 -9.584 -5.336 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.209 -10.264 -5.939 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.140 -8.569 -5.400 1.00 10.00 H new ATOM 951 N LYS A 68 11.708 -7.737 -8.214 1.00 10.00 N ATOM 952 CA LYS A 68 12.967 -7.580 -8.935 1.00 10.00 C ATOM 953 C LYS A 68 13.969 -8.645 -8.467 1.00 10.00 C ATOM 954 O LYS A 68 13.752 -9.176 -7.353 1.00 10.00 O ATOM 955 CB LYS A 68 13.513 -6.157 -8.740 1.00 10.00 C ATOM 956 CG LYS A 68 13.823 -5.874 -7.265 1.00 10.00 C ATOM 957 CD LYS A 68 15.299 -5.532 -6.999 1.00 10.00 C ATOM 958 CE LYS A 68 16.211 -6.726 -7.320 1.00 10.00 C ATOM 959 NZ LYS A 68 17.621 -6.469 -6.970 1.00 10.00 N ATOM 960 OXT LYS A 68 14.967 -8.864 -9.189 1.00 10.00 O ATOM 0 H LYS A 68 11.812 -8.291 -7.364 1.00 10.00 H new ATOM 0 HA LYS A 68 12.800 -7.724 -10.002 1.00 10.00 H new ATOM 0 HB2 LYS A 68 14.417 -6.028 -9.335 1.00 10.00 H new ATOM 0 HB3 LYS A 68 12.785 -5.433 -9.106 1.00 10.00 H new ATOM 0 HG2 LYS A 68 13.200 -5.047 -6.924 1.00 10.00 H new ATOM 0 HG3 LYS A 68 13.548 -6.746 -6.671 1.00 10.00 H new ATOM 0 HD2 LYS A 68 15.591 -4.674 -7.605 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.426 -5.244 -5.956 1.00 10.00 H new ATOM 0 HE2 LYS A 68 15.859 -7.604 -6.778 1.00 10.00 H new ATOM 0 HE3 LYS A 68 16.140 -6.958 -8.383 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 18.195 -7.304 -7.206 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 17.968 -5.648 -7.506 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 17.696 -6.274 -5.951 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.284 -1.726 1.181 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.220 -1.054 -1.953 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.323 -2.510 2.034 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.033 -3.172 3.839 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.421 -0.178 0.632 1.00 10.00 C HETATM 980 NA HEC A 130 -10.928 -1.727 0.254 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.137 -1.414 -1.039 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.556 -1.480 -1.328 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.159 -1.841 -0.157 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.096 -2.029 0.801 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.644 -2.059 0.064 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.296 -1.056 -2.585 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.991 -2.199 -3.354 1.00 10.00 C HETATM 988 CGA HEC A 130 -15.134 -1.685 -4.250 1.00 10.00 C HETATM 989 O1A HEC A 130 -15.148 -1.953 -5.474 1.00 10.00 O HETATM 990 O2A HEC A 130 -15.981 -0.896 -3.765 1.00 10.00 O HETATM 991 NB HEC A 130 -10.028 -2.627 2.652 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.317 -2.821 2.857 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.529 -3.508 4.110 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.281 -3.747 4.622 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.357 -3.181 3.662 1.00 10.00 C HETATM 996 CMB HEC A 130 -12.864 -3.934 4.692 1.00 10.00 C HETATM 997 CAB HEC A 130 -9.932 -4.489 5.907 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.157 -5.999 5.784 1.00 10.00 C HETATM 999 NC HEC A 130 -7.598 -1.681 2.045 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.260 -2.369 3.121 1.00 10.00 C HETATM 1001 C2C HEC A 130 -5.880 -2.121 3.468 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.477 -1.108 2.644 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.554 -0.935 1.706 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.058 -2.811 4.538 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.239 -0.236 2.780 1.00 10.00 C HETATM 1006 CBC HEC A 130 -2.918 -0.932 2.439 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.470 -0.852 -0.349 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.276 -0.285 -0.359 1.00 10.00 C HETATM 1009 C2D HEC A 130 -6.928 0.164 -1.679 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.006 -0.126 -2.458 1.00 10.00 C HETATM 1011 C4D HEC A 130 -8.979 -0.739 -1.575 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.575 0.678 -2.135 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.111 0.112 -3.948 1.00 10.00 C HETATM 1014 CBD HEC A 130 -8.062 -1.208 -4.732 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.384 -1.039 -6.222 1.00 10.00 C HETATM 1016 O1D HEC A 130 -7.453 -1.247 -7.035 1.00 10.00 O HETATM 1017 O2D HEC A 130 -9.555 -0.706 -6.513 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.305 1.559 -1.553 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -4.823 -0.098 -1.989 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.623 0.942 -3.191 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.524 -2.657 5.511 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.007 -3.879 4.325 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.051 -2.394 4.548 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.493 -3.056 4.841 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.357 -4.622 4.005 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -12.702 -4.431 5.649 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.184 -1.139 -0.160 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -14.996 -2.855 -0.592 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -14.820 -2.340 1.102 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -7.070 -1.647 -4.629 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -8.769 -1.911 -4.292 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -2.774 -1.785 3.103 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -2.945 -1.277 1.405 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.094 -0.230 2.566 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.205 -6.193 5.556 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.532 -6.396 4.984 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -9.895 -6.484 6.724 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -13.257 -2.721 -3.968 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -14.387 -2.925 -2.644 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.042 0.634 -4.170 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.297 0.760 -4.273 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -14.046 -0.314 -2.313 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -12.590 -0.565 -3.255 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.600 0.537 0.568 1.00 10.00 H new HETATM 0 HHC HEC A 130 -7.584 -3.832 4.581 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.350 -2.650 2.371 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.491 -1.019 -3.008 1.00 10.00 H new HETATM 0 H2D HEC A 130 -9.586 -0.398 -7.443 1.00 10.00 H new HETATM 0 H2A HEC A 130 -16.869 -1.309 -3.796 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.677 -1.973 3.463 1.00 10.00 FE HETATM 1051 CHA HEC A 153 5.042 -4.015 4.594 1.00 10.00 C HETATM 1052 CHB HEC A 153 2.957 -3.283 0.433 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.635 0.368 2.280 1.00 10.00 C HETATM 1054 CHD HEC A 153 2.063 -0.907 6.566 1.00 10.00 C HETATM 1055 NA HEC A 153 3.798 -3.322 2.669 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.728 -4.058 3.295 1.00 10.00 C HETATM 1057 C2A HEC A 153 5.316 -5.008 2.373 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.651 -4.839 1.193 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.706 -3.773 1.417 1.00 10.00 C HETATM 1060 CMA HEC A 153 4.893 -5.589 -0.103 1.00 10.00 C HETATM 1061 CAA HEC A 153 6.332 -6.103 2.655 1.00 10.00 C HETATM 1062 CBA HEC A 153 5.675 -7.488 2.822 1.00 10.00 C HETATM 1063 CGA HEC A 153 6.673 -8.661 2.878 1.00 10.00 C HETATM 1064 O1A HEC A 153 7.634 -8.643 2.075 1.00 10.00 O HETATM 1065 O2A HEC A 153 6.451 -9.569 3.710 1.00 10.00 O HETATM 1066 NB HEC A 153 1.985 -1.525 1.736 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.196 -2.203 0.607 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.575 -1.518 -0.510 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.893 -0.459 0.025 1.00 10.00 C HETATM 1070 C4B HEC A 153 1.183 -0.505 1.442 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.805 -1.806 -1.979 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.144 0.449 -0.649 1.00 10.00 C HETATM 1073 CBB HEC A 153 -0.743 -0.054 -1.971 1.00 10.00 C HETATM 1074 NC HEC A 153 1.557 -0.573 4.263 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.798 0.290 3.596 1.00 10.00 C HETATM 1076 C2C HEC A 153 0.079 1.150 4.510 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.510 0.801 5.761 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.425 -0.306 5.558 1.00 10.00 C HETATM 1079 CMC HEC A 153 -0.979 2.187 4.173 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.240 1.518 7.081 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.050 2.336 7.224 1.00 10.00 C HETATM 1082 ND HEC A 153 3.381 -2.384 5.202 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.972 -1.866 6.358 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.697 -2.460 7.456 1.00 10.00 C HETATM 1085 C3D HEC A 153 4.543 -3.370 6.890 1.00 10.00 C HETATM 1086 C4D HEC A 153 4.351 -3.263 5.461 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.579 -2.109 8.927 1.00 10.00 C HETATM 1088 CAD HEC A 153 5.479 -4.322 7.606 1.00 10.00 C HETATM 1089 CBD HEC A 153 6.934 -3.833 7.572 1.00 10.00 C HETATM 1090 CGD HEC A 153 7.955 -4.980 7.537 1.00 10.00 C HETATM 1091 O1D HEC A 153 8.120 -5.634 8.590 1.00 10.00 O HETATM 1092 O2D HEC A 153 8.515 -5.194 6.437 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.838 -1.060 9.073 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.555 -2.279 9.261 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 4.258 -2.735 9.506 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.553 2.939 3.510 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -1.820 1.701 3.678 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.325 2.665 5.089 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.859 -1.660 -2.218 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.523 -2.836 -2.196 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.199 -1.129 -2.582 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 5.918 -5.423 -0.434 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.732 -6.655 0.058 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.203 -5.229 -0.866 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 7.078 -3.200 6.696 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 7.123 -3.213 8.448 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.065 3.126 6.473 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -1.912 1.684 7.083 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.091 2.781 8.218 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 0.053 -0.189 -2.703 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -1.247 -1.006 -1.803 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -1.461 0.675 -2.346 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 5.081 -7.488 3.736 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 4.985 -7.652 1.994 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 5.159 -4.435 8.642 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 5.417 -5.307 7.144 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 7.054 -6.143 1.840 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 6.886 -5.856 3.560 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.836 -0.607 7.589 1.00 10.00 H new HETATM 0 HHC HEC A 153 0.030 1.178 1.873 1.00 10.00 H new HETATM 0 HHB HEC A 153 2.966 -3.777 -0.539 1.00 10.00 H new HETATM 0 HHA HEC A 153 5.882 -4.607 4.957 1.00 10.00 H new HETATM 0 H2D HEC A 153 9.279 -5.793 6.570 1.00 10.00 H new HETATM 0 H2A HEC A 153 7.142 -10.259 3.633 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.658 2.390 -7.413 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.322 2.388 -9.792 1.00 10.00 C HETATM 1127 CHB HEC A 166 9.017 3.004 -9.624 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.879 2.731 -4.948 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.424 1.278 -5.214 1.00 10.00 C HETATM 1130 NA HEC A 166 6.673 2.613 -9.294 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.611 2.584 -10.117 1.00 10.00 C HETATM 1132 C2A HEC A 166 6.056 2.803 -11.480 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.408 2.959 -11.424 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.763 2.827 -10.034 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.320 3.319 -12.584 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.247 2.802 -12.758 1.00 10.00 C HETATM 1137 CBA HEC A 166 5.267 1.434 -13.459 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.481 1.375 -14.781 1.00 10.00 C HETATM 1139 O1A HEC A 166 4.129 2.466 -15.294 1.00 10.00 O HETATM 1140 O2A HEC A 166 4.291 0.245 -15.285 1.00 10.00 O HETATM 1141 NB HEC A 166 8.539 2.808 -7.301 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.335 3.021 -8.335 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.676 3.331 -7.897 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.636 3.313 -6.529 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.273 2.946 -6.198 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.867 3.635 -8.789 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.789 3.606 -5.569 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.255 5.064 -5.626 1.00 10.00 C HETATM 1149 NC HEC A 166 6.666 2.047 -5.504 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.685 2.224 -4.681 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.364 1.772 -3.351 1.00 10.00 C HETATM 1152 C3C HEC A 166 6.103 1.255 -3.437 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.668 1.519 -4.795 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.309 1.730 -2.160 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.383 0.450 -2.365 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.936 1.271 -1.157 1.00 10.00 C HETATM 1157 ND HEC A 166 4.730 2.012 -7.475 1.00 10.00 N HETATM 1158 C1D HEC A 166 4.016 1.569 -6.452 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.638 1.399 -6.839 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.561 1.706 -8.170 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.915 2.101 -8.547 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.506 0.897 -5.954 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.270 1.514 -8.974 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.300 1.234 -10.490 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.347 2.461 -11.428 1.00 10.00 C HETATM 1166 O1D HEC A 166 0.953 3.574 -11.005 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.893 2.305 -12.541 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.738 -0.108 -5.602 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.390 1.563 -5.099 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.579 0.877 -6.526 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 9.156 1.083 -2.390 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.669 2.736 -1.946 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.781 1.341 -1.290 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 12.063 2.781 -9.438 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.650 4.512 -9.399 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.744 3.830 -8.171 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.240 2.558 -13.360 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 8.025 4.286 -12.992 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.351 3.372 -12.233 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.169 0.611 -10.703 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.417 0.647 -10.744 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.806 1.725 -0.684 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 4.250 2.053 -1.482 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.432 0.621 -0.442 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.595 5.298 -6.635 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.427 5.721 -5.361 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 13.075 5.212 -4.923 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 6.303 1.157 -13.656 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.861 0.686 -12.778 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.727 0.690 -8.510 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 0.670 2.412 -8.829 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.217 3.078 -12.534 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.640 3.561 -13.435 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.715 0.827 -4.520 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.551 2.977 -4.126 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.804 3.139 -10.366 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.571 2.466 -10.578 1.00 10.00 H new HETATM 0 H2D HEC A 166 1.301 2.641 -13.246 1.00 10.00 H new HETATM 0 H2A HEC A 166 3.628 0.314 -16.003 1.00 10.00 H new