USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=21 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 6 TYR OH : rot 66:sc= 1.74 USER MOD Set 1.2: A 130 HEC O2D : rot -60:sc= 1.22 USER MOD Set 2.1: A 56 ASN : amide:sc= -0.376 K(o=0.6,f=-0.41) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.979 K(o=0.6,f=-0.37) USER MOD Set 3.1: A 51 THR OG1 : rot -180:sc= 1.69 USER MOD Set 3.2: A 54 LYS NZ :NH3+ -164:sc= 2.15 (180deg=1.19) USER MOD Set 4.1: A 41 LYS NZ :NH3+ 157:sc= 0.756 (180deg=-0.0102) USER MOD Set 4.2: A 166 HEC O2A : rot -119:sc= 0.0643 USER MOD Set 5.1: A 23 LYS NZ :NH3+ 178:sc= 1.06 (180deg=0.26) USER MOD Set 5.2: A 153 HEC O2D : rot -123:sc= 0.507 USER MOD Set 6.1: A 8 ASN : amide:sc= 1.55 K(o=2.2,f=-4.7!) USER MOD Set 6.2: A 166 HEC O2D : rot 166:sc= 0.682 USER MOD Set 7.1: A 5 THR OG1 : rot -50:sc= 1.18 USER MOD Set 7.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 129:sc= 1.16 (180deg=0.586) USER MOD Single : A 12 ASN : amide:sc= 0.0381 K(o=0.038,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.00805 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -174:sc= 1.12 (180deg=1.01) USER MOD Single : A 43 SER OG : rot -166:sc= 1.16 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -158:sc= 1.2 (180deg=0.479) USER MOD Single : A 55 SER OG : rot -46:sc= 0.839 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= -0.0136 (180deg=-0.199) USER MOD Single : A 130 HEC O2A : rot 167:sc= -0.0603 USER MOD Single : A 153 HEC O2A : rot 166:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.530 -11.608 -3.212 1.00 10.00 N ATOM 2 CA ALA A 1 -10.487 -10.154 -2.926 1.00 10.00 C ATOM 3 C ALA A 1 -9.546 -9.836 -1.750 1.00 10.00 C ATOM 4 O ALA A 1 -9.922 -9.117 -0.829 1.00 10.00 O ATOM 5 CB ALA A 1 -11.911 -9.649 -2.659 1.00 10.00 C ATOM 0 H1 ALA A 1 -11.520 -11.925 -3.252 1.00 10.00 H new ATOM 0 H2 ALA A 1 -10.069 -11.796 -4.125 1.00 10.00 H new ATOM 0 H3 ALA A 1 -10.032 -12.125 -2.459 1.00 10.00 H new ATOM 0 HA ALA A 1 -10.084 -9.635 -3.795 1.00 10.00 H new ATOM 0 HB1 ALA A 1 -11.884 -8.580 -2.448 1.00 10.00 H new ATOM 0 HB2 ALA A 1 -12.532 -9.830 -3.536 1.00 10.00 H new ATOM 0 HB3 ALA A 1 -12.330 -10.177 -1.803 1.00 10.00 H new ATOM 13 N ASP A 2 -8.344 -10.428 -1.758 1.00 10.00 N ATOM 14 CA ASP A 2 -7.601 -10.701 -0.531 1.00 10.00 C ATOM 15 C ASP A 2 -6.130 -10.286 -0.657 1.00 10.00 C ATOM 16 O ASP A 2 -5.684 -9.374 0.030 1.00 10.00 O ATOM 17 CB ASP A 2 -7.785 -12.189 -0.198 1.00 10.00 C ATOM 18 CG ASP A 2 -9.248 -12.525 0.040 1.00 10.00 C ATOM 19 OD1 ASP A 2 -9.933 -12.779 -0.980 1.00 10.00 O ATOM 20 OD2 ASP A 2 -9.663 -12.471 1.214 1.00 10.00 O ATOM 0 H ASP A 2 -7.867 -10.727 -2.609 1.00 10.00 H new ATOM 0 HA ASP A 2 -7.988 -10.103 0.294 1.00 10.00 H new ATOM 0 HB2 ASP A 2 -7.398 -12.797 -1.016 1.00 10.00 H new ATOM 0 HB3 ASP A 2 -7.203 -12.440 0.689 1.00 10.00 H new ATOM 25 N VAL A 3 -5.383 -10.927 -1.557 1.00 10.00 N ATOM 26 CA VAL A 3 -4.037 -10.507 -1.945 1.00 10.00 C ATOM 27 C VAL A 3 -4.077 -10.089 -3.419 1.00 10.00 C ATOM 28 O VAL A 3 -4.019 -10.932 -4.311 1.00 10.00 O ATOM 29 CB VAL A 3 -3.024 -11.629 -1.655 1.00 10.00 C ATOM 30 CG1 VAL A 3 -1.602 -11.175 -2.006 1.00 10.00 C ATOM 31 CG2 VAL A 3 -3.051 -12.003 -0.165 1.00 10.00 C ATOM 0 H VAL A 3 -5.701 -11.765 -2.044 1.00 10.00 H new ATOM 0 HA VAL A 3 -3.705 -9.650 -1.359 1.00 10.00 H new ATOM 0 HB VAL A 3 -3.301 -12.490 -2.263 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -0.900 -11.981 -1.794 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -1.553 -10.919 -3.064 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -1.341 -10.301 -1.409 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -2.329 -12.798 0.024 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -2.794 -11.129 0.434 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -4.049 -12.348 0.106 1.00 10.00 H new ATOM 41 N VAL A 4 -4.234 -8.788 -3.677 1.00 10.00 N ATOM 42 CA VAL A 4 -4.281 -8.233 -5.026 1.00 10.00 C ATOM 43 C VAL A 4 -2.851 -7.915 -5.481 1.00 10.00 C ATOM 44 O VAL A 4 -2.026 -7.483 -4.678 1.00 10.00 O ATOM 45 CB VAL A 4 -5.180 -6.980 -5.049 1.00 10.00 C ATOM 46 CG1 VAL A 4 -5.303 -6.409 -6.470 1.00 10.00 C ATOM 47 CG2 VAL A 4 -6.590 -7.282 -4.524 1.00 10.00 C ATOM 0 H VAL A 4 -4.333 -8.085 -2.945 1.00 10.00 H new ATOM 0 HA VAL A 4 -4.712 -8.956 -5.719 1.00 10.00 H new ATOM 0 HB VAL A 4 -4.703 -6.248 -4.397 1.00 10.00 H new ATOM 0 HG11 VAL A 4 -5.943 -5.527 -6.453 1.00 10.00 H new ATOM 0 HG12 VAL A 4 -4.315 -6.134 -6.838 1.00 10.00 H new ATOM 0 HG13 VAL A 4 -5.739 -7.161 -7.128 1.00 10.00 H new ATOM 0 HG21 VAL A 4 -7.192 -6.374 -4.556 1.00 10.00 H new ATOM 0 HG22 VAL A 4 -7.054 -8.048 -5.146 1.00 10.00 H new ATOM 0 HG23 VAL A 4 -6.527 -7.639 -3.496 1.00 10.00 H new ATOM 57 N THR A 5 -2.547 -8.107 -6.764 1.00 10.00 N ATOM 58 CA THR A 5 -1.253 -7.736 -7.336 1.00 10.00 C ATOM 59 C THR A 5 -1.439 -6.700 -8.441 1.00 10.00 C ATOM 60 O THR A 5 -2.404 -6.776 -9.198 1.00 10.00 O ATOM 61 CB THR A 5 -0.471 -8.995 -7.773 1.00 10.00 C ATOM 62 OG1 THR A 5 0.628 -9.192 -6.911 1.00 10.00 O ATOM 63 CG2 THR A 5 0.083 -8.953 -9.196 1.00 10.00 C ATOM 0 H THR A 5 -3.191 -8.524 -7.436 1.00 10.00 H new ATOM 0 HA THR A 5 -0.636 -7.256 -6.577 1.00 10.00 H new ATOM 0 HB THR A 5 -1.202 -9.803 -7.730 1.00 10.00 H new ATOM 0 HG1 THR A 5 1.136 -8.357 -6.832 1.00 10.00 H new ATOM 0 HG21 THR A 5 0.615 -9.881 -9.407 1.00 10.00 H new ATOM 0 HG22 THR A 5 -0.738 -8.837 -9.903 1.00 10.00 H new ATOM 0 HG23 THR A 5 0.769 -8.112 -9.295 1.00 10.00 H new ATOM 71 N TYR A 6 -0.536 -5.714 -8.502 1.00 10.00 N ATOM 72 CA TYR A 6 -0.544 -4.689 -9.547 1.00 10.00 C ATOM 73 C TYR A 6 0.684 -4.852 -10.447 1.00 10.00 C ATOM 74 O TYR A 6 1.809 -4.790 -9.953 1.00 10.00 O ATOM 75 CB TYR A 6 -0.579 -3.286 -8.940 1.00 10.00 C ATOM 76 CG TYR A 6 -1.952 -2.724 -8.606 1.00 10.00 C ATOM 77 CD1 TYR A 6 -2.786 -3.381 -7.680 1.00 10.00 C ATOM 78 CD2 TYR A 6 -2.322 -1.450 -9.083 1.00 10.00 C ATOM 79 CE1 TYR A 6 -3.944 -2.745 -7.193 1.00 10.00 C ATOM 80 CE2 TYR A 6 -3.446 -0.795 -8.549 1.00 10.00 C ATOM 81 CZ TYR A 6 -4.253 -1.436 -7.598 1.00 10.00 C ATOM 82 OH TYR A 6 -5.119 -0.689 -6.861 1.00 10.00 O ATOM 0 H TYR A 6 0.221 -5.606 -7.827 1.00 10.00 H new ATOM 0 HA TYR A 6 -1.445 -4.816 -10.148 1.00 10.00 H new ATOM 0 HB2 TYR A 6 0.017 -3.294 -8.028 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -0.090 -2.602 -9.634 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -2.536 -4.376 -7.342 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -1.741 -0.976 -9.860 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -4.596 -3.265 -6.507 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -3.689 0.206 -8.873 1.00 10.00 H new ATOM 0 HH TYR A 6 -4.723 -0.499 -5.985 1.00 10.00 H new ATOM 92 N GLU A 7 0.451 -5.105 -11.739 1.00 10.00 N ATOM 93 CA GLU A 7 1.447 -5.521 -12.719 1.00 10.00 C ATOM 94 C GLU A 7 1.736 -4.403 -13.733 1.00 10.00 C ATOM 95 O GLU A 7 0.968 -4.217 -14.675 1.00 10.00 O ATOM 96 CB GLU A 7 0.929 -6.792 -13.414 1.00 10.00 C ATOM 97 CG GLU A 7 0.728 -7.941 -12.422 1.00 10.00 C ATOM 98 CD GLU A 7 -0.030 -9.118 -13.017 1.00 10.00 C ATOM 99 OE1 GLU A 7 -1.268 -8.991 -13.124 1.00 10.00 O ATOM 100 OE2 GLU A 7 0.641 -10.122 -13.334 1.00 10.00 O ATOM 0 H GLU A 7 -0.481 -5.020 -12.144 1.00 10.00 H new ATOM 0 HA GLU A 7 2.392 -5.733 -12.220 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -0.015 -6.574 -13.914 1.00 10.00 H new ATOM 0 HB3 GLU A 7 1.635 -7.098 -14.186 1.00 10.00 H new ATOM 0 HG2 GLU A 7 1.701 -8.284 -12.070 1.00 10.00 H new ATOM 0 HG3 GLU A 7 0.187 -7.571 -11.551 1.00 10.00 H new ATOM 107 N ASN A 8 2.852 -3.681 -13.562 1.00 10.00 N ATOM 108 CA ASN A 8 3.205 -2.547 -14.415 1.00 10.00 C ATOM 109 C ASN A 8 4.224 -2.951 -15.495 1.00 10.00 C ATOM 110 O ASN A 8 3.857 -3.269 -16.623 1.00 10.00 O ATOM 111 CB ASN A 8 3.654 -1.351 -13.549 1.00 10.00 C ATOM 112 CG ASN A 8 4.650 -1.711 -12.444 1.00 10.00 C ATOM 113 OD1 ASN A 8 5.855 -1.628 -12.655 1.00 10.00 O ATOM 114 ND2 ASN A 8 4.192 -2.180 -11.292 1.00 10.00 N ATOM 0 H ASN A 8 3.533 -3.870 -12.827 1.00 10.00 H new ATOM 0 HA ASN A 8 2.322 -2.221 -14.964 1.00 10.00 H new ATOM 0 HB2 ASN A 8 4.104 -0.598 -14.196 1.00 10.00 H new ATOM 0 HB3 ASN A 8 2.774 -0.896 -13.094 1.00 10.00 H new ATOM 0 HD21 ASN A 8 4.845 -2.478 -10.567 1.00 10.00 H new ATOM 0 HD22 ASN A 8 3.187 -2.243 -11.131 1.00 10.00 H new ATOM 121 N ALA A 9 5.512 -2.921 -15.145 1.00 10.00 N ATOM 122 CA ALA A 9 6.655 -3.057 -16.039 1.00 10.00 C ATOM 123 C ALA A 9 7.952 -3.009 -15.223 1.00 10.00 C ATOM 124 O ALA A 9 8.824 -3.861 -15.370 1.00 10.00 O ATOM 125 CB ALA A 9 6.633 -1.911 -17.055 1.00 10.00 C ATOM 0 H ALA A 9 5.797 -2.794 -14.174 1.00 10.00 H new ATOM 0 HA ALA A 9 6.603 -4.010 -16.566 1.00 10.00 H new ATOM 0 HB1 ALA A 9 7.485 -2.005 -17.728 1.00 10.00 H new ATOM 0 HB2 ALA A 9 5.709 -1.953 -17.631 1.00 10.00 H new ATOM 0 HB3 ALA A 9 6.689 -0.958 -16.529 1.00 10.00 H new ATOM 131 N ALA A 10 8.056 -2.036 -14.310 1.00 10.00 N ATOM 132 CA ALA A 10 9.208 -1.840 -13.431 1.00 10.00 C ATOM 133 C ALA A 10 9.107 -2.659 -12.130 1.00 10.00 C ATOM 134 O ALA A 10 9.595 -2.225 -11.088 1.00 10.00 O ATOM 135 CB ALA A 10 9.327 -0.338 -13.146 1.00 10.00 C ATOM 0 H ALA A 10 7.320 -1.346 -14.161 1.00 10.00 H new ATOM 0 HA ALA A 10 10.107 -2.204 -13.928 1.00 10.00 H new ATOM 0 HB1 ALA A 10 10.180 -0.158 -12.491 1.00 10.00 H new ATOM 0 HB2 ALA A 10 9.470 0.200 -14.083 1.00 10.00 H new ATOM 0 HB3 ALA A 10 8.416 0.014 -12.661 1.00 10.00 H new ATOM 141 N GLY A 11 8.479 -3.841 -12.183 1.00 10.00 N ATOM 142 CA GLY A 11 8.282 -4.711 -11.026 1.00 10.00 C ATOM 143 C GLY A 11 6.831 -4.624 -10.567 1.00 10.00 C ATOM 144 O GLY A 11 6.380 -3.562 -10.138 1.00 10.00 O ATOM 0 H GLY A 11 8.089 -4.221 -13.046 1.00 10.00 H new ATOM 0 HA2 GLY A 11 8.532 -5.740 -11.284 1.00 10.00 H new ATOM 0 HA3 GLY A 11 8.949 -4.415 -10.217 1.00 10.00 H new ATOM 148 N ASN A 12 6.080 -5.722 -10.650 1.00 10.00 N ATOM 149 CA ASN A 12 4.748 -5.733 -10.062 1.00 10.00 C ATOM 150 C ASN A 12 4.830 -5.651 -8.534 1.00 10.00 C ATOM 151 O ASN A 12 5.896 -5.850 -7.950 1.00 10.00 O ATOM 152 CB ASN A 12 3.959 -6.966 -10.508 1.00 10.00 C ATOM 153 CG ASN A 12 4.568 -8.260 -9.997 1.00 10.00 C ATOM 154 OD1 ASN A 12 5.747 -8.524 -10.201 1.00 10.00 O ATOM 155 ND2 ASN A 12 3.777 -9.087 -9.333 1.00 10.00 N ATOM 0 H ASN A 12 6.363 -6.590 -11.105 1.00 10.00 H new ATOM 0 HA ASN A 12 4.213 -4.853 -10.419 1.00 10.00 H new ATOM 0 HB2 ASN A 12 2.932 -6.885 -10.151 1.00 10.00 H new ATOM 0 HB3 ASN A 12 3.917 -6.993 -11.597 1.00 10.00 H new ATOM 0 HD21 ASN A 12 4.145 -9.969 -8.977 1.00 10.00 H new ATOM 0 HD22 ASN A 12 2.799 -8.842 -9.177 1.00 10.00 H new ATOM 162 N VAL A 13 3.697 -5.358 -7.906 1.00 10.00 N ATOM 163 CA VAL A 13 3.561 -5.249 -6.453 1.00 10.00 C ATOM 164 C VAL A 13 2.384 -6.100 -5.938 1.00 10.00 C ATOM 165 O VAL A 13 1.599 -6.622 -6.729 1.00 10.00 O ATOM 166 CB VAL A 13 3.503 -3.750 -6.098 1.00 10.00 C ATOM 167 CG1 VAL A 13 2.336 -3.074 -6.801 1.00 10.00 C ATOM 168 CG2 VAL A 13 3.417 -3.430 -4.599 1.00 10.00 C ATOM 0 H VAL A 13 2.824 -5.185 -8.403 1.00 10.00 H new ATOM 0 HA VAL A 13 4.422 -5.669 -5.933 1.00 10.00 H new ATOM 0 HB VAL A 13 4.461 -3.361 -6.444 1.00 10.00 H new ATOM 0 HG11 VAL A 13 2.314 -2.017 -6.536 1.00 10.00 H new ATOM 0 HG12 VAL A 13 2.453 -3.175 -7.880 1.00 10.00 H new ATOM 0 HG13 VAL A 13 1.403 -3.545 -6.492 1.00 10.00 H new ATOM 0 HG21 VAL A 13 3.381 -2.350 -4.459 1.00 10.00 H new ATOM 0 HG22 VAL A 13 2.516 -3.880 -4.182 1.00 10.00 H new ATOM 0 HG23 VAL A 13 4.293 -3.833 -4.090 1.00 10.00 H new ATOM 178 N THR A 14 2.288 -6.239 -4.611 1.00 10.00 N ATOM 179 CA THR A 14 1.374 -7.030 -3.799 1.00 10.00 C ATOM 180 C THR A 14 0.676 -6.056 -2.853 1.00 10.00 C ATOM 181 O THR A 14 1.225 -5.579 -1.862 1.00 10.00 O ATOM 182 CB THR A 14 2.115 -8.139 -3.027 1.00 10.00 C ATOM 183 OG1 THR A 14 2.159 -9.287 -3.838 1.00 10.00 O ATOM 184 CG2 THR A 14 1.402 -8.593 -1.749 1.00 10.00 C ATOM 0 H THR A 14 2.937 -5.731 -4.010 1.00 10.00 H new ATOM 0 HA THR A 14 0.647 -7.545 -4.427 1.00 10.00 H new ATOM 0 HB THR A 14 3.088 -7.721 -2.768 1.00 10.00 H new ATOM 0 HG1 THR A 14 2.629 -10.005 -3.364 1.00 10.00 H new ATOM 0 HG21 THR A 14 1.987 -9.375 -1.264 1.00 10.00 H new ATOM 0 HG22 THR A 14 1.296 -7.746 -1.071 1.00 10.00 H new ATOM 0 HG23 THR A 14 0.415 -8.982 -2.001 1.00 10.00 H new ATOM 192 N PHE A 15 -0.544 -5.731 -3.240 1.00 10.00 N ATOM 193 CA PHE A 15 -1.570 -5.076 -2.444 1.00 10.00 C ATOM 194 C PHE A 15 -2.306 -6.111 -1.585 1.00 10.00 C ATOM 195 O PHE A 15 -3.277 -6.722 -2.037 1.00 10.00 O ATOM 196 CB PHE A 15 -2.571 -4.399 -3.384 1.00 10.00 C ATOM 197 CG PHE A 15 -2.140 -3.070 -3.952 1.00 10.00 C ATOM 198 CD1 PHE A 15 -0.990 -2.984 -4.759 1.00 10.00 C ATOM 199 CD2 PHE A 15 -3.032 -1.986 -3.887 1.00 10.00 C ATOM 200 CE1 PHE A 15 -0.760 -1.833 -5.527 1.00 10.00 C ATOM 201 CE2 PHE A 15 -2.826 -0.864 -4.699 1.00 10.00 C ATOM 202 CZ PHE A 15 -1.707 -0.805 -5.544 1.00 10.00 C ATOM 0 H PHE A 15 -0.868 -5.932 -4.186 1.00 10.00 H new ATOM 0 HA PHE A 15 -1.106 -4.336 -1.793 1.00 10.00 H new ATOM 0 HB2 PHE A 15 -2.779 -5.077 -4.212 1.00 10.00 H new ATOM 0 HB3 PHE A 15 -3.508 -4.256 -2.845 1.00 10.00 H new ATOM 0 HD1 PHE A 15 -0.286 -3.803 -4.787 1.00 10.00 H new ATOM 0 HD2 PHE A 15 -3.875 -2.018 -3.212 1.00 10.00 H new ATOM 0 HE1 PHE A 15 0.148 -1.741 -6.105 1.00 10.00 H new ATOM 0 HE2 PHE A 15 -3.528 -0.044 -4.675 1.00 10.00 H new ATOM 0 HZ PHE A 15 -1.577 0.036 -6.209 1.00 10.00 H new ATOM 212 N ASP A 16 -1.906 -6.268 -0.323 1.00 10.00 N ATOM 213 CA ASP A 16 -2.679 -7.099 0.576 1.00 10.00 C ATOM 214 C ASP A 16 -3.946 -6.339 0.973 1.00 10.00 C ATOM 215 O ASP A 16 -3.883 -5.365 1.725 1.00 10.00 O ATOM 216 CB ASP A 16 -1.878 -7.441 1.825 1.00 10.00 C ATOM 217 CG ASP A 16 -0.505 -8.026 1.592 1.00 10.00 C ATOM 218 OD1 ASP A 16 -0.388 -8.905 0.716 1.00 10.00 O ATOM 219 OD2 ASP A 16 0.381 -7.594 2.361 1.00 10.00 O ATOM 0 H ASP A 16 -1.074 -5.841 0.084 1.00 10.00 H new ATOM 0 HA ASP A 16 -2.934 -8.031 0.071 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -1.769 -6.535 2.422 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -2.456 -8.148 2.421 1.00 10.00 H new ATOM 224 N HIS A 17 -5.106 -6.790 0.505 1.00 10.00 N ATOM 225 CA HIS A 17 -6.358 -6.329 1.073 1.00 10.00 C ATOM 226 C HIS A 17 -6.549 -6.957 2.457 1.00 10.00 C ATOM 227 O HIS A 17 -6.842 -6.267 3.429 1.00 10.00 O ATOM 228 CB HIS A 17 -7.533 -6.633 0.125 1.00 10.00 C ATOM 229 CG HIS A 17 -8.463 -5.456 -0.025 1.00 10.00 C ATOM 230 ND1 HIS A 17 -9.021 -5.014 -1.201 1.00 10.00 N ATOM 231 CD2 HIS A 17 -8.647 -4.471 0.904 1.00 10.00 C ATOM 232 CE1 HIS A 17 -9.490 -3.776 -0.978 1.00 10.00 C ATOM 233 NE2 HIS A 17 -9.263 -3.382 0.288 1.00 10.00 N ATOM 0 H HIS A 17 -5.200 -7.464 -0.255 1.00 10.00 H new ATOM 0 HA HIS A 17 -6.330 -5.246 1.194 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -7.144 -6.914 -0.854 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -8.091 -7.489 0.504 1.00 10.00 H new ATOM 0 HD1 HIS A 17 -9.070 -5.530 -2.079 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -8.362 -4.527 1.944 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -9.987 -3.172 -1.722 1.00 10.00 H new ATOM 241 N LYS A 18 -6.349 -8.278 2.533 1.00 10.00 N ATOM 242 CA LYS A 18 -6.536 -9.073 3.738 1.00 10.00 C ATOM 243 C LYS A 18 -5.316 -9.044 4.670 1.00 10.00 C ATOM 244 O LYS A 18 -5.430 -8.581 5.796 1.00 10.00 O ATOM 245 CB LYS A 18 -6.947 -10.506 3.360 1.00 10.00 C ATOM 246 CG LYS A 18 -7.756 -11.152 4.490 1.00 10.00 C ATOM 247 CD LYS A 18 -9.227 -10.710 4.414 1.00 10.00 C ATOM 248 CE LYS A 18 -9.822 -10.690 5.826 1.00 10.00 C ATOM 249 NZ LYS A 18 -11.269 -10.405 5.811 1.00 10.00 N ATOM 0 H LYS A 18 -6.044 -8.832 1.733 1.00 10.00 H new ATOM 0 HA LYS A 18 -7.344 -8.621 4.313 1.00 10.00 H new ATOM 0 HB2 LYS A 18 -7.539 -10.491 2.445 1.00 10.00 H new ATOM 0 HB3 LYS A 18 -6.058 -11.103 3.155 1.00 10.00 H new ATOM 0 HG2 LYS A 18 -7.691 -12.238 4.418 1.00 10.00 H new ATOM 0 HG3 LYS A 18 -7.334 -10.871 5.455 1.00 10.00 H new ATOM 0 HD2 LYS A 18 -9.299 -9.721 3.962 1.00 10.00 H new ATOM 0 HD3 LYS A 18 -9.792 -11.392 3.778 1.00 10.00 H new ATOM 0 HE2 LYS A 18 -9.647 -11.652 6.307 1.00 10.00 H new ATOM 0 HE3 LYS A 18 -9.310 -9.937 6.425 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 -11.632 -10.401 6.786 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 -11.435 -9.475 5.375 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 -11.761 -11.138 5.261 1.00 10.00 H new ATOM 263 N ALA A 19 -4.146 -9.539 4.244 1.00 10.00 N ATOM 264 CA ALA A 19 -3.016 -9.774 5.152 1.00 10.00 C ATOM 265 C ALA A 19 -2.577 -8.516 5.908 1.00 10.00 C ATOM 266 O ALA A 19 -2.316 -8.578 7.107 1.00 10.00 O ATOM 267 CB ALA A 19 -1.838 -10.367 4.378 1.00 10.00 C ATOM 0 H ALA A 19 -3.957 -9.785 3.272 1.00 10.00 H new ATOM 0 HA ALA A 19 -3.359 -10.483 5.906 1.00 10.00 H new ATOM 0 HB1 ALA A 19 -1.004 -10.538 5.059 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -2.138 -11.313 3.927 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -1.531 -9.673 3.595 1.00 10.00 H new ATOM 273 N HIS A 20 -2.546 -7.362 5.232 1.00 10.00 N ATOM 274 CA HIS A 20 -2.418 -6.094 5.934 1.00 10.00 C ATOM 275 C HIS A 20 -3.583 -5.919 6.931 1.00 10.00 C ATOM 276 O HIS A 20 -3.338 -5.779 8.126 1.00 10.00 O ATOM 277 CB HIS A 20 -2.300 -4.916 4.952 1.00 10.00 C ATOM 278 CG HIS A 20 -0.897 -4.580 4.479 1.00 10.00 C ATOM 279 ND1 HIS A 20 -0.039 -5.424 3.816 1.00 10.00 N ATOM 280 CD2 HIS A 20 -0.278 -3.351 4.539 1.00 10.00 C ATOM 281 CE1 HIS A 20 1.043 -4.715 3.478 1.00 10.00 C ATOM 282 NE2 HIS A 20 0.976 -3.442 3.915 1.00 10.00 N ATOM 0 H HIS A 20 -2.607 -7.286 4.217 1.00 10.00 H new ATOM 0 HA HIS A 20 -1.492 -6.103 6.508 1.00 10.00 H new ATOM 0 HB2 HIS A 20 -2.914 -5.135 4.078 1.00 10.00 H new ATOM 0 HB3 HIS A 20 -2.724 -4.030 5.426 1.00 10.00 H new ATOM 0 HD1 HIS A 20 -0.199 -6.412 3.618 1.00 10.00 H new ATOM 0 HD2 HIS A 20 -0.690 -2.462 4.992 1.00 10.00 H new ATOM 0 HE1 HIS A 20 1.875 -5.116 2.919 1.00 10.00 H new ATOM 290 N ALA A 21 -4.844 -5.955 6.475 1.00 10.00 N ATOM 291 CA ALA A 21 -6.040 -5.813 7.319 1.00 10.00 C ATOM 292 C ALA A 21 -6.045 -6.677 8.584 1.00 10.00 C ATOM 293 O ALA A 21 -6.470 -6.201 9.633 1.00 10.00 O ATOM 294 CB ALA A 21 -7.311 -6.094 6.524 1.00 10.00 C ATOM 0 H ALA A 21 -5.066 -6.086 5.488 1.00 10.00 H new ATOM 0 HA ALA A 21 -6.011 -4.775 7.650 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -8.179 -5.981 7.174 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -7.385 -5.390 5.695 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -7.279 -7.111 6.134 1.00 10.00 H new ATOM 300 N GLU A 22 -5.571 -7.922 8.505 1.00 10.00 N ATOM 301 CA GLU A 22 -5.439 -8.809 9.657 1.00 10.00 C ATOM 302 C GLU A 22 -4.721 -8.137 10.851 1.00 10.00 C ATOM 303 O GLU A 22 -4.983 -8.476 12.003 1.00 10.00 O ATOM 304 CB GLU A 22 -4.740 -10.105 9.212 1.00 10.00 C ATOM 305 CG GLU A 22 -5.564 -10.959 8.228 1.00 10.00 C ATOM 306 CD GLU A 22 -6.948 -11.341 8.739 1.00 10.00 C ATOM 307 OE1 GLU A 22 -7.002 -12.022 9.783 1.00 10.00 O ATOM 308 OE2 GLU A 22 -7.926 -10.961 8.060 1.00 10.00 O ATOM 0 H GLU A 22 -5.265 -8.345 7.629 1.00 10.00 H new ATOM 0 HA GLU A 22 -6.436 -9.049 10.026 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.788 -9.850 8.746 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.513 -10.704 10.094 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.673 -10.411 7.292 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -5.009 -11.869 8.001 1.00 10.00 H new ATOM 315 N LYS A 23 -3.835 -7.167 10.585 1.00 10.00 N ATOM 316 CA LYS A 23 -3.194 -6.309 11.577 1.00 10.00 C ATOM 317 C LYS A 23 -3.784 -4.882 11.569 1.00 10.00 C ATOM 318 O LYS A 23 -4.096 -4.318 12.615 1.00 10.00 O ATOM 319 CB LYS A 23 -1.695 -6.312 11.258 1.00 10.00 C ATOM 320 CG LYS A 23 -1.067 -7.655 11.660 1.00 10.00 C ATOM 321 CD LYS A 23 0.342 -7.798 11.069 1.00 10.00 C ATOM 322 CE LYS A 23 0.995 -9.102 11.553 1.00 10.00 C ATOM 323 NZ LYS A 23 2.359 -9.246 11.005 1.00 10.00 N ATOM 0 H LYS A 23 -3.537 -6.955 9.633 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.371 -6.686 12.584 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.543 -6.136 10.193 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -1.202 -5.498 11.790 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.019 -7.728 12.746 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.697 -8.474 11.313 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.289 -7.792 9.980 1.00 10.00 H new ATOM 0 HD3 LYS A 23 0.955 -6.946 11.363 1.00 10.00 H new ATOM 0 HE2 LYS A 23 1.034 -9.111 12.642 1.00 10.00 H new ATOM 0 HE3 LYS A 23 0.385 -9.953 11.249 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 2.791 -10.117 11.373 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 2.313 -9.295 9.967 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 2.935 -8.428 11.288 1.00 10.00 H new ATOM 337 N LEU A 24 -3.918 -4.290 10.380 1.00 10.00 N ATOM 338 CA LEU A 24 -4.333 -2.912 10.121 1.00 10.00 C ATOM 339 C LEU A 24 -5.807 -2.591 10.441 1.00 10.00 C ATOM 340 O LEU A 24 -6.155 -1.431 10.648 1.00 10.00 O ATOM 341 CB LEU A 24 -4.036 -2.605 8.644 1.00 10.00 C ATOM 342 CG LEU A 24 -2.561 -2.403 8.250 1.00 10.00 C ATOM 343 CD1 LEU A 24 -2.522 -1.503 7.008 1.00 10.00 C ATOM 344 CD2 LEU A 24 -1.695 -1.755 9.334 1.00 10.00 C ATOM 0 H LEU A 24 -3.726 -4.796 9.515 1.00 10.00 H new ATOM 0 HA LEU A 24 -3.766 -2.279 10.803 1.00 10.00 H new ATOM 0 HB2 LEU A 24 -4.438 -3.420 8.042 1.00 10.00 H new ATOM 0 HB3 LEU A 24 -4.585 -1.705 8.369 1.00 10.00 H new ATOM 0 HG LEU A 24 -2.146 -3.396 8.076 1.00 10.00 H new ATOM 0 HD11 LEU A 24 -1.487 -1.343 6.707 1.00 10.00 H new ATOM 0 HD12 LEU A 24 -3.067 -1.982 6.194 1.00 10.00 H new ATOM 0 HD13 LEU A 24 -2.985 -0.544 7.239 1.00 10.00 H new ATOM 0 HD21 LEU A 24 -0.673 -1.652 8.970 1.00 10.00 H new ATOM 0 HD22 LEU A 24 -2.094 -0.771 9.579 1.00 10.00 H new ATOM 0 HD23 LEU A 24 -1.701 -2.381 10.227 1.00 10.00 H new ATOM 356 N GLY A 25 -6.700 -3.581 10.439 1.00 10.00 N ATOM 357 CA GLY A 25 -8.092 -3.414 10.852 1.00 10.00 C ATOM 358 C GLY A 25 -8.954 -2.517 9.956 1.00 10.00 C ATOM 359 O GLY A 25 -9.885 -1.891 10.450 1.00 10.00 O ATOM 0 H GLY A 25 -6.474 -4.532 10.147 1.00 10.00 H new ATOM 0 HA2 GLY A 25 -8.557 -4.399 10.901 1.00 10.00 H new ATOM 0 HA3 GLY A 25 -8.104 -3.005 11.862 1.00 10.00 H new ATOM 363 N CYS A 26 -8.653 -2.466 8.651 1.00 10.00 N ATOM 364 CA CYS A 26 -9.297 -1.655 7.607 1.00 10.00 C ATOM 365 C CYS A 26 -9.067 -0.149 7.797 1.00 10.00 C ATOM 366 O CYS A 26 -8.561 0.514 6.892 1.00 10.00 O ATOM 367 CB CYS A 26 -10.775 -1.944 7.468 1.00 10.00 C ATOM 368 SG CYS A 26 -11.257 -3.699 7.382 1.00 10.00 S ATOM 0 H CYS A 26 -7.896 -3.033 8.268 1.00 10.00 H new ATOM 0 HA CYS A 26 -8.810 -1.953 6.679 1.00 10.00 H new ATOM 0 HB2 CYS A 26 -11.292 -1.489 8.313 1.00 10.00 H new ATOM 0 HB3 CYS A 26 -11.136 -1.447 6.568 1.00 10.00 H new ATOM 373 N ASP A 27 -9.438 0.373 8.971 1.00 10.00 N ATOM 374 CA ASP A 27 -9.423 1.773 9.376 1.00 10.00 C ATOM 375 C ASP A 27 -8.125 2.462 8.946 1.00 10.00 C ATOM 376 O ASP A 27 -8.120 3.514 8.310 1.00 10.00 O ATOM 377 CB ASP A 27 -9.641 1.835 10.901 1.00 10.00 C ATOM 378 CG ASP A 27 -10.786 2.766 11.269 1.00 10.00 C ATOM 379 OD1 ASP A 27 -11.933 2.413 10.922 1.00 10.00 O ATOM 380 OD2 ASP A 27 -10.491 3.802 11.900 1.00 10.00 O ATOM 0 H ASP A 27 -9.784 -0.227 9.720 1.00 10.00 H new ATOM 0 HA ASP A 27 -10.227 2.316 8.879 1.00 10.00 H new ATOM 0 HB2 ASP A 27 -9.850 0.834 11.280 1.00 10.00 H new ATOM 0 HB3 ASP A 27 -8.726 2.175 11.386 1.00 10.00 H new ATOM 385 N ALA A 28 -7.012 1.784 9.226 1.00 10.00 N ATOM 386 CA ALA A 28 -5.660 2.180 8.855 1.00 10.00 C ATOM 387 C ALA A 28 -5.471 2.629 7.391 1.00 10.00 C ATOM 388 O ALA A 28 -4.571 3.420 7.113 1.00 10.00 O ATOM 389 CB ALA A 28 -4.787 0.969 9.123 1.00 10.00 C ATOM 0 H ALA A 28 -7.033 0.904 9.741 1.00 10.00 H new ATOM 0 HA ALA A 28 -5.400 3.062 9.441 1.00 10.00 H new ATOM 0 HB1 ALA A 28 -3.754 1.201 8.864 1.00 10.00 H new ATOM 0 HB2 ALA A 28 -4.846 0.705 10.179 1.00 10.00 H new ATOM 0 HB3 ALA A 28 -5.133 0.130 8.519 1.00 10.00 H new ATOM 395 N CYS A 29 -6.270 2.104 6.453 1.00 10.00 N ATOM 396 CA CYS A 29 -6.238 2.484 5.036 1.00 10.00 C ATOM 397 C CYS A 29 -7.502 3.258 4.619 1.00 10.00 C ATOM 398 O CYS A 29 -7.617 3.678 3.470 1.00 10.00 O ATOM 399 CB CYS A 29 -6.114 1.244 4.187 1.00 10.00 C ATOM 400 SG CYS A 29 -4.475 0.436 4.273 1.00 10.00 S ATOM 0 H CYS A 29 -6.969 1.391 6.662 1.00 10.00 H new ATOM 0 HA CYS A 29 -5.379 3.138 4.887 1.00 10.00 H new ATOM 0 HB2 CYS A 29 -6.876 0.528 4.496 1.00 10.00 H new ATOM 0 HB3 CYS A 29 -6.324 1.505 3.150 1.00 10.00 H new ATOM 405 N HIS A 30 -8.481 3.406 5.513 1.00 10.00 N ATOM 406 CA HIS A 30 -9.848 3.741 5.154 1.00 10.00 C ATOM 407 C HIS A 30 -10.585 4.407 6.319 1.00 10.00 C ATOM 408 O HIS A 30 -11.042 3.711 7.220 1.00 10.00 O ATOM 409 CB HIS A 30 -10.555 2.430 4.779 1.00 10.00 C ATOM 410 CG HIS A 30 -10.155 1.786 3.486 1.00 10.00 C ATOM 411 ND1 HIS A 30 -10.472 2.252 2.238 1.00 10.00 N ATOM 412 CD2 HIS A 30 -9.833 0.469 3.346 1.00 10.00 C ATOM 413 CE1 HIS A 30 -10.313 1.237 1.361 1.00 10.00 C ATOM 414 NE2 HIS A 30 -9.920 0.121 1.988 1.00 10.00 N ATOM 0 H HIS A 30 -8.339 3.294 6.517 1.00 10.00 H new ATOM 0 HA HIS A 30 -9.847 4.447 4.323 1.00 10.00 H new ATOM 0 HB2 HIS A 30 -10.385 1.712 5.582 1.00 10.00 H new ATOM 0 HB3 HIS A 30 -11.627 2.622 4.744 1.00 10.00 H new ATOM 0 HD1 HIS A 30 -10.775 3.199 2.011 1.00 10.00 H new ATOM 0 HD2 HIS A 30 -9.556 -0.198 4.149 1.00 10.00 H new ATOM 0 HE1 HIS A 30 -10.480 1.315 0.297 1.00 10.00 H new ATOM 422 N GLU A 31 -10.768 5.729 6.276 1.00 10.00 N ATOM 423 CA GLU A 31 -11.459 6.455 7.333 1.00 10.00 C ATOM 424 C GLU A 31 -12.966 6.121 7.389 1.00 10.00 C ATOM 425 O GLU A 31 -13.809 6.903 6.953 1.00 10.00 O ATOM 426 CB GLU A 31 -11.205 7.959 7.161 1.00 10.00 C ATOM 427 CG GLU A 31 -9.713 8.316 7.258 1.00 10.00 C ATOM 428 CD GLU A 31 -9.481 9.813 7.098 1.00 10.00 C ATOM 429 OE1 GLU A 31 -9.605 10.518 8.121 1.00 10.00 O ATOM 430 OE2 GLU A 31 -9.199 10.218 5.950 1.00 10.00 O ATOM 0 H GLU A 31 -10.442 6.319 5.511 1.00 10.00 H new ATOM 0 HA GLU A 31 -11.056 6.137 8.295 1.00 10.00 H new ATOM 0 HB2 GLU A 31 -11.591 8.282 6.194 1.00 10.00 H new ATOM 0 HB3 GLU A 31 -11.757 8.508 7.924 1.00 10.00 H new ATOM 0 HG2 GLU A 31 -9.322 7.988 8.221 1.00 10.00 H new ATOM 0 HG3 GLU A 31 -9.159 7.778 6.489 1.00 10.00 H new ATOM 437 N GLY A 32 -13.308 4.939 7.910 1.00 10.00 N ATOM 438 CA GLY A 32 -14.656 4.385 7.850 1.00 10.00 C ATOM 439 C GLY A 32 -15.028 3.906 6.439 1.00 10.00 C ATOM 440 O GLY A 32 -14.162 3.764 5.576 1.00 10.00 O ATOM 0 H GLY A 32 -12.643 4.334 8.392 1.00 10.00 H new ATOM 0 HA2 GLY A 32 -14.735 3.551 8.547 1.00 10.00 H new ATOM 0 HA3 GLY A 32 -15.371 5.140 8.175 1.00 10.00 H new ATOM 444 N THR A 33 -16.327 3.644 6.228 1.00 10.00 N ATOM 445 CA THR A 33 -17.003 3.242 4.984 1.00 10.00 C ATOM 446 C THR A 33 -16.103 3.136 3.740 1.00 10.00 C ATOM 447 O THR A 33 -16.078 4.054 2.918 1.00 10.00 O ATOM 448 CB THR A 33 -18.169 4.217 4.747 1.00 10.00 C ATOM 449 OG1 THR A 33 -18.951 4.277 5.919 1.00 10.00 O ATOM 450 CG2 THR A 33 -19.106 3.780 3.616 1.00 10.00 C ATOM 0 H THR A 33 -16.994 3.715 6.996 1.00 10.00 H new ATOM 0 HA THR A 33 -17.352 2.219 5.127 1.00 10.00 H new ATOM 0 HB THR A 33 -17.723 5.174 4.477 1.00 10.00 H new ATOM 0 HG1 THR A 33 -19.698 4.897 5.783 1.00 10.00 H new ATOM 0 HG21 THR A 33 -19.906 4.512 3.503 1.00 10.00 H new ATOM 0 HG22 THR A 33 -18.544 3.709 2.685 1.00 10.00 H new ATOM 0 HG23 THR A 33 -19.536 2.807 3.855 1.00 10.00 H new ATOM 458 N PRO A 34 -15.366 2.026 3.567 1.00 10.00 N ATOM 459 CA PRO A 34 -14.443 1.879 2.457 1.00 10.00 C ATOM 460 C PRO A 34 -15.201 1.623 1.149 1.00 10.00 C ATOM 461 O PRO A 34 -16.148 0.841 1.116 1.00 10.00 O ATOM 462 CB PRO A 34 -13.549 0.705 2.842 1.00 10.00 C ATOM 463 CG PRO A 34 -14.458 -0.162 3.707 1.00 10.00 C ATOM 464 CD PRO A 34 -15.295 0.875 4.455 1.00 10.00 C ATOM 0 HA PRO A 34 -13.856 2.780 2.280 1.00 10.00 H new ATOM 0 HB2 PRO A 34 -13.195 0.165 1.964 1.00 10.00 H new ATOM 0 HB3 PRO A 34 -12.667 1.035 3.391 1.00 10.00 H new ATOM 0 HG2 PRO A 34 -15.078 -0.826 3.105 1.00 10.00 H new ATOM 0 HG3 PRO A 34 -13.888 -0.792 4.390 1.00 10.00 H new ATOM 0 HD2 PRO A 34 -16.290 0.490 4.679 1.00 10.00 H new ATOM 0 HD3 PRO A 34 -14.834 1.140 5.406 1.00 10.00 H new ATOM 472 N ALA A 35 -14.784 2.302 0.076 1.00 10.00 N ATOM 473 CA ALA A 35 -15.496 2.318 -1.205 1.00 10.00 C ATOM 474 C ALA A 35 -14.577 2.138 -2.420 1.00 10.00 C ATOM 475 O ALA A 35 -14.924 1.438 -3.364 1.00 10.00 O ATOM 476 CB ALA A 35 -16.335 3.598 -1.273 1.00 10.00 C ATOM 0 H ALA A 35 -13.932 2.863 0.073 1.00 10.00 H new ATOM 0 HA ALA A 35 -16.155 1.451 -1.251 1.00 10.00 H new ATOM 0 HB1 ALA A 35 -16.874 3.630 -2.220 1.00 10.00 H new ATOM 0 HB2 ALA A 35 -17.048 3.610 -0.449 1.00 10.00 H new ATOM 0 HB3 ALA A 35 -15.680 4.466 -1.199 1.00 10.00 H new ATOM 482 N LYS A 36 -13.410 2.780 -2.358 1.00 10.00 N ATOM 483 CA LYS A 36 -12.233 2.705 -3.224 1.00 10.00 C ATOM 484 C LYS A 36 -11.131 3.646 -2.711 1.00 10.00 C ATOM 485 O LYS A 36 -11.383 4.449 -1.815 1.00 10.00 O ATOM 486 CB LYS A 36 -12.596 3.014 -4.677 1.00 10.00 C ATOM 487 CG LYS A 36 -13.098 4.448 -4.904 1.00 10.00 C ATOM 488 CD LYS A 36 -12.016 5.333 -5.546 1.00 10.00 C ATOM 489 CE LYS A 36 -12.433 6.807 -5.633 1.00 10.00 C ATOM 490 NZ LYS A 36 -13.599 7.007 -6.521 1.00 10.00 N ATOM 0 H LYS A 36 -13.248 3.448 -1.605 1.00 10.00 H new ATOM 0 HA LYS A 36 -11.850 1.685 -3.195 1.00 10.00 H new ATOM 0 HB2 LYS A 36 -11.721 2.843 -5.304 1.00 10.00 H new ATOM 0 HB3 LYS A 36 -13.365 2.315 -5.005 1.00 10.00 H new ATOM 0 HG2 LYS A 36 -13.980 4.428 -5.545 1.00 10.00 H new ATOM 0 HG3 LYS A 36 -13.405 4.881 -3.952 1.00 10.00 H new ATOM 0 HD2 LYS A 36 -11.096 5.253 -4.967 1.00 10.00 H new ATOM 0 HD3 LYS A 36 -11.796 4.962 -6.547 1.00 10.00 H new ATOM 0 HE2 LYS A 36 -12.671 7.175 -4.635 1.00 10.00 H new ATOM 0 HE3 LYS A 36 -11.594 7.399 -5.999 1.00 10.00 H new ATOM 0 HZ1 LYS A 36 -13.845 8.017 -6.549 1.00 10.00 H new ATOM 0 HZ2 LYS A 36 -13.365 6.681 -7.480 1.00 10.00 H new ATOM 0 HZ3 LYS A 36 -14.408 6.464 -6.159 1.00 10.00 H new ATOM 504 N ILE A 37 -9.934 3.571 -3.302 1.00 10.00 N ATOM 505 CA ILE A 37 -8.841 4.532 -3.133 1.00 10.00 C ATOM 506 C ILE A 37 -8.153 4.689 -4.498 1.00 10.00 C ATOM 507 O ILE A 37 -7.987 3.699 -5.203 1.00 10.00 O ATOM 508 CB ILE A 37 -7.822 4.049 -2.079 1.00 10.00 C ATOM 509 CG1 ILE A 37 -8.487 3.625 -0.758 1.00 10.00 C ATOM 510 CG2 ILE A 37 -6.787 5.157 -1.823 1.00 10.00 C ATOM 511 CD1 ILE A 37 -7.468 3.180 0.296 1.00 10.00 C ATOM 0 H ILE A 37 -9.691 2.809 -3.936 1.00 10.00 H new ATOM 0 HA ILE A 37 -9.238 5.484 -2.781 1.00 10.00 H new ATOM 0 HB ILE A 37 -7.331 3.162 -2.480 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -9.071 4.458 -0.365 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -9.184 2.810 -0.951 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -6.067 4.817 -1.079 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -6.266 5.390 -2.752 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -7.293 6.050 -1.457 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -7.990 2.892 1.208 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -6.901 2.329 -0.082 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -6.786 4.002 0.513 1.00 10.00 H new ATOM 523 N ALA A 38 -7.767 5.904 -4.899 1.00 10.00 N ATOM 524 CA ALA A 38 -7.073 6.098 -6.172 1.00 10.00 C ATOM 525 C ALA A 38 -5.565 5.857 -6.063 1.00 10.00 C ATOM 526 O ALA A 38 -4.803 6.708 -5.603 1.00 10.00 O ATOM 527 CB ALA A 38 -7.359 7.476 -6.745 1.00 10.00 C ATOM 0 H ALA A 38 -7.922 6.759 -4.365 1.00 10.00 H new ATOM 0 HA ALA A 38 -7.465 5.348 -6.859 1.00 10.00 H new ATOM 0 HB1 ALA A 38 -6.831 7.593 -7.691 1.00 10.00 H new ATOM 0 HB2 ALA A 38 -8.431 7.586 -6.912 1.00 10.00 H new ATOM 0 HB3 ALA A 38 -7.021 8.239 -6.044 1.00 10.00 H new ATOM 533 N ILE A 39 -5.149 4.682 -6.523 1.00 10.00 N ATOM 534 CA ILE A 39 -3.772 4.204 -6.488 1.00 10.00 C ATOM 535 C ILE A 39 -3.151 4.154 -7.889 1.00 10.00 C ATOM 536 O ILE A 39 -3.682 3.498 -8.781 1.00 10.00 O ATOM 537 CB ILE A 39 -3.712 2.833 -5.821 1.00 10.00 C ATOM 538 CG1 ILE A 39 -4.469 2.810 -4.484 1.00 10.00 C ATOM 539 CG2 ILE A 39 -2.229 2.478 -5.640 1.00 10.00 C ATOM 540 CD1 ILE A 39 -3.908 3.759 -3.420 1.00 10.00 C ATOM 0 H ILE A 39 -5.788 4.010 -6.947 1.00 10.00 H new ATOM 0 HA ILE A 39 -3.186 4.911 -5.901 1.00 10.00 H new ATOM 0 HB ILE A 39 -4.206 2.090 -6.448 1.00 10.00 H new ATOM 0 HG12 ILE A 39 -5.513 3.066 -4.667 1.00 10.00 H new ATOM 0 HG13 ILE A 39 -4.455 1.794 -4.090 1.00 10.00 H new ATOM 0 HG21 ILE A 39 -2.144 1.501 -5.164 1.00 10.00 H new ATOM 0 HG22 ILE A 39 -1.740 2.451 -6.614 1.00 10.00 H new ATOM 0 HG23 ILE A 39 -1.749 3.229 -5.013 1.00 10.00 H new ATOM 0 HD11 ILE A 39 -4.502 3.678 -2.510 1.00 10.00 H new ATOM 0 HD12 ILE A 39 -2.874 3.492 -3.203 1.00 10.00 H new ATOM 0 HD13 ILE A 39 -3.948 4.784 -3.789 1.00 10.00 H new ATOM 552 N ASP A 40 -2.020 4.843 -8.052 1.00 10.00 N ATOM 553 CA ASP A 40 -1.255 4.991 -9.285 1.00 10.00 C ATOM 554 C ASP A 40 0.034 5.752 -8.915 1.00 10.00 C ATOM 555 O ASP A 40 0.233 6.087 -7.742 1.00 10.00 O ATOM 556 CB ASP A 40 -2.153 5.744 -10.289 1.00 10.00 C ATOM 557 CG ASP A 40 -1.516 6.119 -11.612 1.00 10.00 C ATOM 558 OD1 ASP A 40 -0.585 5.393 -12.011 1.00 10.00 O ATOM 559 OD2 ASP A 40 -1.903 7.179 -12.153 1.00 10.00 O ATOM 0 H ASP A 40 -1.589 5.343 -7.275 1.00 10.00 H new ATOM 0 HA ASP A 40 -0.965 4.049 -9.750 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -3.028 5.128 -10.494 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -2.510 6.656 -9.811 1.00 10.00 H new ATOM 564 N LYS A 41 0.898 6.061 -9.886 1.00 10.00 N ATOM 565 CA LYS A 41 2.188 6.723 -9.659 1.00 10.00 C ATOM 566 C LYS A 41 2.081 8.227 -9.329 1.00 10.00 C ATOM 567 O LYS A 41 2.754 9.061 -9.928 1.00 10.00 O ATOM 568 CB LYS A 41 3.235 6.361 -10.737 1.00 10.00 C ATOM 569 CG LYS A 41 3.147 6.965 -12.153 1.00 10.00 C ATOM 570 CD LYS A 41 1.921 6.485 -12.937 1.00 10.00 C ATOM 571 CE LYS A 41 1.978 6.757 -14.446 1.00 10.00 C ATOM 572 NZ LYS A 41 2.979 5.916 -15.138 1.00 10.00 N ATOM 0 H LYS A 41 0.719 5.855 -10.869 1.00 10.00 H new ATOM 0 HA LYS A 41 2.581 6.303 -8.733 1.00 10.00 H new ATOM 0 HB2 LYS A 41 4.213 6.625 -10.336 1.00 10.00 H new ATOM 0 HB3 LYS A 41 3.219 5.277 -10.849 1.00 10.00 H new ATOM 0 HG2 LYS A 41 3.119 8.052 -12.077 1.00 10.00 H new ATOM 0 HG3 LYS A 41 4.049 6.708 -12.708 1.00 10.00 H new ATOM 0 HD2 LYS A 41 1.803 5.413 -12.779 1.00 10.00 H new ATOM 0 HD3 LYS A 41 1.033 6.967 -12.528 1.00 10.00 H new ATOM 0 HE2 LYS A 41 0.995 6.578 -14.881 1.00 10.00 H new ATOM 0 HE3 LYS A 41 2.214 7.808 -14.613 1.00 10.00 H new ATOM 0 HZ1 LYS A 41 2.730 5.837 -16.145 1.00 10.00 H new ATOM 0 HZ2 LYS A 41 3.920 6.351 -15.048 1.00 10.00 H new ATOM 0 HZ3 LYS A 41 2.993 4.969 -14.709 1.00 10.00 H new ATOM 586 N LYS A 42 1.281 8.564 -8.310 1.00 10.00 N ATOM 587 CA LYS A 42 1.208 9.890 -7.696 1.00 10.00 C ATOM 588 C LYS A 42 0.870 9.790 -6.199 1.00 10.00 C ATOM 589 O LYS A 42 1.573 10.349 -5.363 1.00 10.00 O ATOM 590 CB LYS A 42 0.270 10.814 -8.498 1.00 10.00 C ATOM 591 CG LYS A 42 -1.239 10.549 -8.342 1.00 10.00 C ATOM 592 CD LYS A 42 -1.995 10.832 -9.649 1.00 10.00 C ATOM 593 CE LYS A 42 -1.920 9.555 -10.495 1.00 10.00 C ATOM 594 NZ LYS A 42 -2.507 9.677 -11.843 1.00 10.00 N ATOM 0 H LYS A 42 0.645 7.895 -7.877 1.00 10.00 H new ATOM 0 HA LYS A 42 2.191 10.360 -7.738 1.00 10.00 H new ATOM 0 HB2 LYS A 42 0.469 11.844 -8.204 1.00 10.00 H new ATOM 0 HB3 LYS A 42 0.526 10.729 -9.554 1.00 10.00 H new ATOM 0 HG2 LYS A 42 -1.399 9.513 -8.044 1.00 10.00 H new ATOM 0 HG3 LYS A 42 -1.640 11.175 -7.545 1.00 10.00 H new ATOM 0 HD2 LYS A 42 -3.032 11.099 -9.445 1.00 10.00 H new ATOM 0 HD3 LYS A 42 -1.548 11.673 -10.179 1.00 10.00 H new ATOM 0 HE2 LYS A 42 -0.875 9.261 -10.593 1.00 10.00 H new ATOM 0 HE3 LYS A 42 -2.429 8.752 -9.963 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 -2.506 8.746 -12.307 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 -3.484 10.025 -11.766 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 -1.945 10.346 -12.407 1.00 10.00 H new ATOM 608 N SER A 43 -0.169 9.027 -5.846 1.00 10.00 N ATOM 609 CA SER A 43 -0.564 8.726 -4.476 1.00 10.00 C ATOM 610 C SER A 43 0.416 7.732 -3.847 1.00 10.00 C ATOM 611 O SER A 43 1.029 8.020 -2.815 1.00 10.00 O ATOM 612 CB SER A 43 -1.984 8.150 -4.532 1.00 10.00 C ATOM 613 OG SER A 43 -2.068 7.198 -5.582 1.00 10.00 O ATOM 0 H SER A 43 -0.778 8.588 -6.536 1.00 10.00 H new ATOM 0 HA SER A 43 -0.548 9.622 -3.856 1.00 10.00 H new ATOM 0 HB2 SER A 43 -2.235 7.681 -3.581 1.00 10.00 H new ATOM 0 HB3 SER A 43 -2.706 8.950 -4.694 1.00 10.00 H new ATOM 0 HG SER A 43 -3.009 6.998 -5.768 1.00 10.00 H new ATOM 619 N ALA A 44 0.587 6.584 -4.514 1.00 10.00 N ATOM 620 CA ALA A 44 1.455 5.475 -4.114 1.00 10.00 C ATOM 621 C ALA A 44 2.887 5.892 -3.756 1.00 10.00 C ATOM 622 O ALA A 44 3.548 5.216 -2.971 1.00 10.00 O ATOM 623 CB ALA A 44 1.504 4.446 -5.244 1.00 10.00 C ATOM 0 H ALA A 44 0.099 6.396 -5.390 1.00 10.00 H new ATOM 0 HA ALA A 44 1.020 5.059 -3.205 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.149 3.617 -4.953 1.00 10.00 H new ATOM 0 HB2 ALA A 44 0.499 4.073 -5.440 1.00 10.00 H new ATOM 0 HB3 ALA A 44 1.899 4.914 -6.146 1.00 10.00 H new ATOM 629 N HIS A 45 3.383 6.983 -4.353 1.00 10.00 N ATOM 630 CA HIS A 45 4.723 7.507 -4.098 1.00 10.00 C ATOM 631 C HIS A 45 4.741 8.817 -3.291 1.00 10.00 C ATOM 632 O HIS A 45 5.821 9.379 -3.105 1.00 10.00 O ATOM 633 CB HIS A 45 5.473 7.691 -5.420 1.00 10.00 C ATOM 634 CG HIS A 45 5.544 6.474 -6.304 1.00 10.00 C ATOM 635 ND1 HIS A 45 5.347 6.513 -7.659 1.00 10.00 N ATOM 636 CD2 HIS A 45 5.972 5.208 -5.978 1.00 10.00 C ATOM 637 CE1 HIS A 45 5.645 5.299 -8.137 1.00 10.00 C ATOM 638 NE2 HIS A 45 6.033 4.456 -7.161 1.00 10.00 N ATOM 0 H HIS A 45 2.856 7.530 -5.034 1.00 10.00 H new ATOM 0 HA HIS A 45 5.226 6.766 -3.477 1.00 10.00 H new ATOM 0 HB2 HIS A 45 4.996 8.496 -5.979 1.00 10.00 H new ATOM 0 HB3 HIS A 45 6.489 8.016 -5.198 1.00 10.00 H new ATOM 0 HD1 HIS A 45 5.032 7.317 -8.202 1.00 10.00 H new ATOM 0 HD2 HIS A 45 6.218 4.855 -4.987 1.00 10.00 H new ATOM 0 HE1 HIS A 45 5.582 5.028 -9.180 1.00 10.00 H new ATOM 646 N LYS A 46 3.604 9.277 -2.759 1.00 10.00 N ATOM 647 CA LYS A 46 3.528 10.406 -1.826 1.00 10.00 C ATOM 648 C LYS A 46 3.334 9.907 -0.388 1.00 10.00 C ATOM 649 O LYS A 46 4.214 10.061 0.472 1.00 10.00 O ATOM 650 CB LYS A 46 2.350 11.322 -2.209 1.00 10.00 C ATOM 651 CG LYS A 46 2.723 12.409 -3.221 1.00 10.00 C ATOM 652 CD LYS A 46 1.444 13.176 -3.598 1.00 10.00 C ATOM 653 CE LYS A 46 1.728 14.494 -4.329 1.00 10.00 C ATOM 654 NZ LYS A 46 2.154 15.558 -3.392 1.00 10.00 N ATOM 0 H LYS A 46 2.694 8.867 -2.969 1.00 10.00 H new ATOM 0 HA LYS A 46 4.463 10.963 -1.884 1.00 10.00 H new ATOM 0 HB2 LYS A 46 1.546 10.713 -2.622 1.00 10.00 H new ATOM 0 HB3 LYS A 46 1.960 11.795 -1.308 1.00 10.00 H new ATOM 0 HG2 LYS A 46 3.461 13.088 -2.794 1.00 10.00 H new ATOM 0 HG3 LYS A 46 3.174 11.964 -4.108 1.00 10.00 H new ATOM 0 HD2 LYS A 46 0.821 12.543 -4.230 1.00 10.00 H new ATOM 0 HD3 LYS A 46 0.872 13.385 -2.694 1.00 10.00 H new ATOM 0 HE2 LYS A 46 2.505 14.335 -5.077 1.00 10.00 H new ATOM 0 HE3 LYS A 46 0.833 14.815 -4.862 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 2.337 16.434 -3.922 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 1.402 15.727 -2.693 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 3.022 15.262 -2.902 1.00 10.00 H new ATOM 668 N ASP A 47 2.145 9.349 -0.144 1.00 10.00 N ATOM 669 CA ASP A 47 1.584 9.204 1.190 1.00 10.00 C ATOM 670 C ASP A 47 0.821 7.880 1.352 1.00 10.00 C ATOM 671 O ASP A 47 1.178 7.070 2.207 1.00 10.00 O ATOM 672 CB ASP A 47 0.734 10.445 1.484 1.00 10.00 C ATOM 673 CG ASP A 47 0.492 10.555 2.974 1.00 10.00 C ATOM 674 OD1 ASP A 47 -0.366 9.795 3.462 1.00 10.00 O ATOM 675 OD2 ASP A 47 1.251 11.322 3.604 1.00 10.00 O ATOM 0 H ASP A 47 1.542 8.983 -0.881 1.00 10.00 H new ATOM 0 HA ASP A 47 2.380 9.147 1.932 1.00 10.00 H new ATOM 0 HB2 ASP A 47 1.241 11.339 1.121 1.00 10.00 H new ATOM 0 HB3 ASP A 47 -0.217 10.380 0.955 1.00 10.00 H new ATOM 680 N ALA A 48 -0.156 7.616 0.476 1.00 10.00 N ATOM 681 CA ALA A 48 -0.768 6.295 0.355 1.00 10.00 C ATOM 682 C ALA A 48 0.321 5.216 0.235 1.00 10.00 C ATOM 683 O ALA A 48 1.258 5.360 -0.549 1.00 10.00 O ATOM 684 CB ALA A 48 -1.722 6.260 -0.842 1.00 10.00 C ATOM 0 H ALA A 48 -0.540 8.311 -0.164 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.350 6.087 1.253 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.171 5.270 -0.921 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -2.506 7.004 -0.704 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.169 6.481 -1.755 1.00 10.00 H new ATOM 690 N CYS A 49 0.241 4.191 1.091 1.00 10.00 N ATOM 691 CA CYS A 49 1.321 3.245 1.388 1.00 10.00 C ATOM 692 C CYS A 49 2.509 3.929 2.079 1.00 10.00 C ATOM 693 O CYS A 49 2.809 3.650 3.243 1.00 10.00 O ATOM 694 CB CYS A 49 1.797 2.471 0.176 1.00 10.00 C ATOM 695 SG CYS A 49 0.554 1.977 -1.062 1.00 10.00 S ATOM 0 H CYS A 49 -0.611 3.991 1.616 1.00 10.00 H new ATOM 0 HA CYS A 49 0.883 2.522 2.077 1.00 10.00 H new ATOM 0 HB2 CYS A 49 2.552 3.073 -0.330 1.00 10.00 H new ATOM 0 HB3 CYS A 49 2.294 1.568 0.530 1.00 10.00 H new ATOM 700 N LYS A 50 3.191 4.810 1.340 1.00 10.00 N ATOM 701 CA LYS A 50 4.392 5.525 1.728 1.00 10.00 C ATOM 702 C LYS A 50 4.387 5.952 3.195 1.00 10.00 C ATOM 703 O LYS A 50 5.165 5.414 3.965 1.00 10.00 O ATOM 704 CB LYS A 50 4.563 6.731 0.804 1.00 10.00 C ATOM 705 CG LYS A 50 5.031 6.341 -0.604 1.00 10.00 C ATOM 706 CD LYS A 50 6.534 6.562 -0.858 1.00 10.00 C ATOM 707 CE LYS A 50 6.953 8.024 -0.627 1.00 10.00 C ATOM 708 NZ LYS A 50 7.855 8.550 -1.676 1.00 10.00 N ATOM 0 H LYS A 50 2.892 5.052 0.395 1.00 10.00 H new ATOM 0 HA LYS A 50 5.239 4.847 1.624 1.00 10.00 H new ATOM 0 HB2 LYS A 50 3.615 7.265 0.732 1.00 10.00 H new ATOM 0 HB3 LYS A 50 5.284 7.420 1.244 1.00 10.00 H new ATOM 0 HG2 LYS A 50 4.797 5.290 -0.774 1.00 10.00 H new ATOM 0 HG3 LYS A 50 4.463 6.916 -1.335 1.00 10.00 H new ATOM 0 HD2 LYS A 50 7.111 5.912 -0.200 1.00 10.00 H new ATOM 0 HD3 LYS A 50 6.774 6.274 -1.882 1.00 10.00 H new ATOM 0 HE2 LYS A 50 6.060 8.647 -0.580 1.00 10.00 H new ATOM 0 HE3 LYS A 50 7.448 8.104 0.341 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 8.388 9.361 -1.301 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 8.519 7.805 -1.968 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 7.293 8.854 -2.497 1.00 10.00 H new ATOM 722 N THR A 51 3.574 6.931 3.595 1.00 10.00 N ATOM 723 CA THR A 51 3.668 7.571 4.914 1.00 10.00 C ATOM 724 C THR A 51 3.592 6.592 6.087 1.00 10.00 C ATOM 725 O THR A 51 4.400 6.685 7.006 1.00 10.00 O ATOM 726 CB THR A 51 2.712 8.761 5.018 1.00 10.00 C ATOM 727 OG1 THR A 51 3.264 9.770 4.199 1.00 10.00 O ATOM 728 CG2 THR A 51 2.625 9.341 6.430 1.00 10.00 C ATOM 0 H THR A 51 2.826 7.307 3.012 1.00 10.00 H new ATOM 0 HA THR A 51 4.676 7.977 5.000 1.00 10.00 H new ATOM 0 HB THR A 51 1.713 8.432 4.731 1.00 10.00 H new ATOM 0 HG1 THR A 51 2.693 10.566 4.230 1.00 10.00 H new ATOM 0 HG21 THR A 51 1.931 10.182 6.436 1.00 10.00 H new ATOM 0 HG22 THR A 51 2.271 8.573 7.118 1.00 10.00 H new ATOM 0 HG23 THR A 51 3.611 9.683 6.744 1.00 10.00 H new ATOM 736 N CYS A 52 2.708 5.597 6.035 1.00 10.00 N ATOM 737 CA CYS A 52 2.748 4.495 7.001 1.00 10.00 C ATOM 738 C CYS A 52 4.125 3.811 6.970 1.00 10.00 C ATOM 739 O CYS A 52 4.856 3.756 7.962 1.00 10.00 O ATOM 740 CB CYS A 52 1.622 3.549 6.687 1.00 10.00 C ATOM 741 SG CYS A 52 1.447 2.312 7.998 1.00 10.00 S ATOM 0 H CYS A 52 1.962 5.529 5.343 1.00 10.00 H new ATOM 0 HA CYS A 52 2.611 4.864 8.018 1.00 10.00 H new ATOM 0 HB2 CYS A 52 0.691 4.106 6.578 1.00 10.00 H new ATOM 0 HB3 CYS A 52 1.811 3.054 5.735 1.00 10.00 H new ATOM 746 N HIS A 53 4.542 3.403 5.772 1.00 10.00 N ATOM 747 CA HIS A 53 5.880 2.901 5.499 1.00 10.00 C ATOM 748 C HIS A 53 7.047 3.883 5.815 1.00 10.00 C ATOM 749 O HIS A 53 8.201 3.465 5.760 1.00 10.00 O ATOM 750 CB HIS A 53 5.892 2.426 4.037 1.00 10.00 C ATOM 751 CG HIS A 53 5.331 1.042 3.854 1.00 10.00 C ATOM 752 ND1 HIS A 53 6.093 -0.090 3.833 1.00 10.00 N ATOM 753 CD2 HIS A 53 4.020 0.651 3.810 1.00 10.00 C ATOM 754 CE1 HIS A 53 5.259 -1.144 3.781 1.00 10.00 C ATOM 755 NE2 HIS A 53 3.972 -0.758 3.755 1.00 10.00 N ATOM 0 H HIS A 53 3.941 3.414 4.948 1.00 10.00 H new ATOM 0 HA HIS A 53 6.080 2.081 6.189 1.00 10.00 H new ATOM 0 HB2 HIS A 53 5.317 3.126 3.431 1.00 10.00 H new ATOM 0 HB3 HIS A 53 6.916 2.447 3.664 1.00 10.00 H new ATOM 0 HD1 HIS A 53 7.112 -0.130 3.853 1.00 10.00 H new ATOM 0 HD2 HIS A 53 3.165 1.311 3.816 1.00 10.00 H new ATOM 0 HE1 HIS A 53 5.584 -2.174 3.762 1.00 10.00 H new ATOM 763 N LYS A 54 6.798 5.155 6.160 1.00 10.00 N ATOM 764 CA LYS A 54 7.817 6.105 6.599 1.00 10.00 C ATOM 765 C LYS A 54 8.100 5.979 8.100 1.00 10.00 C ATOM 766 O LYS A 54 9.023 6.618 8.598 1.00 10.00 O ATOM 767 CB LYS A 54 7.438 7.527 6.221 1.00 10.00 C ATOM 768 CG LYS A 54 7.380 7.645 4.703 1.00 10.00 C ATOM 769 CD LYS A 54 7.410 9.128 4.363 1.00 10.00 C ATOM 770 CE LYS A 54 6.882 9.420 2.946 1.00 10.00 C ATOM 771 NZ LYS A 54 5.523 10.029 2.916 1.00 10.00 N ATOM 0 H LYS A 54 5.860 5.555 6.139 1.00 10.00 H new ATOM 0 HA LYS A 54 8.742 5.858 6.077 1.00 10.00 H new ATOM 0 HB2 LYS A 54 6.472 7.786 6.655 1.00 10.00 H new ATOM 0 HB3 LYS A 54 8.167 8.230 6.624 1.00 10.00 H new ATOM 0 HG2 LYS A 54 8.224 7.129 4.245 1.00 10.00 H new ATOM 0 HG3 LYS A 54 6.473 7.180 4.316 1.00 10.00 H new ATOM 0 HD2 LYS A 54 6.811 9.676 5.090 1.00 10.00 H new ATOM 0 HD3 LYS A 54 8.432 9.496 4.449 1.00 10.00 H new ATOM 0 HE2 LYS A 54 7.579 10.089 2.441 1.00 10.00 H new ATOM 0 HE3 LYS A 54 6.864 8.490 2.378 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 5.127 9.948 1.958 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 4.905 9.532 3.589 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 5.587 11.033 3.180 1.00 10.00 H new ATOM 785 N SER A 55 7.388 5.104 8.824 1.00 10.00 N ATOM 786 CA SER A 55 7.632 4.832 10.242 1.00 10.00 C ATOM 787 C SER A 55 8.943 4.057 10.513 1.00 10.00 C ATOM 788 O SER A 55 9.008 3.260 11.448 1.00 10.00 O ATOM 789 CB SER A 55 6.411 4.102 10.818 1.00 10.00 C ATOM 790 OG SER A 55 6.543 3.966 12.221 1.00 10.00 O ATOM 0 H SER A 55 6.618 4.560 8.434 1.00 10.00 H new ATOM 0 HA SER A 55 7.771 5.788 10.747 1.00 10.00 H new ATOM 0 HB2 SER A 55 5.502 4.655 10.582 1.00 10.00 H new ATOM 0 HB3 SER A 55 6.314 3.119 10.357 1.00 10.00 H new ATOM 0 HG SER A 55 7.447 3.655 12.436 1.00 10.00 H new ATOM 796 N ASN A 56 9.991 4.295 9.711 1.00 10.00 N ATOM 797 CA ASN A 56 11.398 3.922 9.902 1.00 10.00 C ATOM 798 C ASN A 56 11.705 2.472 10.317 1.00 10.00 C ATOM 799 O ASN A 56 12.795 2.175 10.796 1.00 10.00 O ATOM 800 CB ASN A 56 12.082 4.969 10.783 1.00 10.00 C ATOM 801 CG ASN A 56 11.490 5.087 12.184 1.00 10.00 C ATOM 802 OD1 ASN A 56 11.841 4.351 13.096 1.00 10.00 O ATOM 803 ND2 ASN A 56 10.589 6.040 12.384 1.00 10.00 N ATOM 0 H ASN A 56 9.862 4.799 8.834 1.00 10.00 H new ATOM 0 HA ASN A 56 11.833 3.927 8.903 1.00 10.00 H new ATOM 0 HB2 ASN A 56 13.140 4.722 10.867 1.00 10.00 H new ATOM 0 HB3 ASN A 56 12.019 5.939 10.291 1.00 10.00 H new ATOM 0 HD21 ASN A 56 10.178 6.167 13.309 1.00 10.00 H new ATOM 0 HD22 ASN A 56 10.307 6.645 11.613 1.00 10.00 H new ATOM 810 N ASN A 57 10.763 1.565 10.067 1.00 10.00 N ATOM 811 CA ASN A 57 10.852 0.140 10.370 1.00 10.00 C ATOM 812 C ASN A 57 10.241 -0.668 9.217 1.00 10.00 C ATOM 813 O ASN A 57 9.196 -1.296 9.366 1.00 10.00 O ATOM 814 CB ASN A 57 10.158 -0.145 11.712 1.00 10.00 C ATOM 815 CG ASN A 57 10.899 0.493 12.884 1.00 10.00 C ATOM 816 OD1 ASN A 57 11.738 -0.135 13.515 1.00 10.00 O ATOM 817 ND2 ASN A 57 10.603 1.747 13.188 1.00 10.00 N ATOM 0 H ASN A 57 9.877 1.816 9.628 1.00 10.00 H new ATOM 0 HA ASN A 57 11.894 -0.163 10.468 1.00 10.00 H new ATOM 0 HB2 ASN A 57 9.136 0.233 11.680 1.00 10.00 H new ATOM 0 HB3 ASN A 57 10.094 -1.222 11.866 1.00 10.00 H new ATOM 0 HD21 ASN A 57 11.078 2.210 13.963 1.00 10.00 H new ATOM 0 HD22 ASN A 57 9.900 2.250 12.647 1.00 10.00 H new ATOM 824 N GLY A 58 10.885 -0.628 8.046 1.00 10.00 N ATOM 825 CA GLY A 58 10.416 -1.324 6.853 1.00 10.00 C ATOM 826 C GLY A 58 11.406 -1.202 5.687 1.00 10.00 C ATOM 827 O GLY A 58 12.424 -0.515 5.803 1.00 10.00 O ATOM 0 H GLY A 58 11.751 -0.108 7.903 1.00 10.00 H new ATOM 0 HA2 GLY A 58 10.259 -2.377 7.086 1.00 10.00 H new ATOM 0 HA3 GLY A 58 9.451 -0.917 6.552 1.00 10.00 H new ATOM 831 N PRO A 59 11.125 -1.860 4.553 1.00 10.00 N ATOM 832 CA PRO A 59 12.025 -1.902 3.412 1.00 10.00 C ATOM 833 C PRO A 59 12.003 -0.581 2.635 1.00 10.00 C ATOM 834 O PRO A 59 11.348 -0.466 1.601 1.00 10.00 O ATOM 835 CB PRO A 59 11.534 -3.088 2.575 1.00 10.00 C ATOM 836 CG PRO A 59 10.030 -3.072 2.837 1.00 10.00 C ATOM 837 CD PRO A 59 9.964 -2.705 4.320 1.00 10.00 C ATOM 0 HA PRO A 59 13.067 -2.030 3.705 1.00 10.00 H new ATOM 0 HB2 PRO A 59 11.764 -2.962 1.517 1.00 10.00 H new ATOM 0 HB3 PRO A 59 11.992 -4.026 2.891 1.00 10.00 H new ATOM 0 HG2 PRO A 59 9.516 -2.341 2.213 1.00 10.00 H new ATOM 0 HG3 PRO A 59 9.572 -4.040 2.636 1.00 10.00 H new ATOM 0 HD2 PRO A 59 9.039 -2.178 4.555 1.00 10.00 H new ATOM 0 HD3 PRO A 59 9.992 -3.595 4.948 1.00 10.00 H new ATOM 845 N THR A 60 12.760 0.415 3.105 1.00 10.00 N ATOM 846 CA THR A 60 12.957 1.705 2.432 1.00 10.00 C ATOM 847 C THR A 60 13.740 1.563 1.111 1.00 10.00 C ATOM 848 O THR A 60 14.872 2.023 0.991 1.00 10.00 O ATOM 849 CB THR A 60 13.657 2.674 3.403 1.00 10.00 C ATOM 850 OG1 THR A 60 13.013 2.616 4.659 1.00 10.00 O ATOM 851 CG2 THR A 60 13.588 4.128 2.928 1.00 10.00 C ATOM 0 H THR A 60 13.267 0.346 3.988 1.00 10.00 H new ATOM 0 HA THR A 60 11.982 2.107 2.158 1.00 10.00 H new ATOM 0 HB THR A 60 14.702 2.369 3.459 1.00 10.00 H new ATOM 0 HG1 THR A 60 13.455 3.230 5.282 1.00 10.00 H new ATOM 0 HG21 THR A 60 14.096 4.770 3.647 1.00 10.00 H new ATOM 0 HG22 THR A 60 14.074 4.217 1.956 1.00 10.00 H new ATOM 0 HG23 THR A 60 12.545 4.433 2.842 1.00 10.00 H new ATOM 859 N LYS A 61 13.135 0.914 0.111 1.00 10.00 N ATOM 860 CA LYS A 61 13.726 0.584 -1.182 1.00 10.00 C ATOM 861 C LYS A 61 12.618 0.206 -2.177 1.00 10.00 C ATOM 862 O LYS A 61 11.664 -0.473 -1.797 1.00 10.00 O ATOM 863 CB LYS A 61 14.740 -0.564 -1.006 1.00 10.00 C ATOM 864 CG LYS A 61 14.136 -1.817 -0.345 1.00 10.00 C ATOM 865 CD LYS A 61 15.163 -2.921 -0.055 1.00 10.00 C ATOM 866 CE LYS A 61 15.714 -3.559 -1.337 1.00 10.00 C ATOM 867 NZ LYS A 61 16.473 -4.794 -1.044 1.00 10.00 N ATOM 0 H LYS A 61 12.171 0.590 0.189 1.00 10.00 H new ATOM 0 HA LYS A 61 14.256 1.449 -1.581 1.00 10.00 H new ATOM 0 HB2 LYS A 61 15.143 -0.835 -1.982 1.00 10.00 H new ATOM 0 HB3 LYS A 61 15.576 -0.211 -0.402 1.00 10.00 H new ATOM 0 HG2 LYS A 61 13.654 -1.527 0.589 1.00 10.00 H new ATOM 0 HG3 LYS A 61 13.358 -2.219 -0.994 1.00 10.00 H new ATOM 0 HD2 LYS A 61 15.987 -2.504 0.523 1.00 10.00 H new ATOM 0 HD3 LYS A 61 14.700 -3.692 0.561 1.00 10.00 H new ATOM 0 HE2 LYS A 61 14.891 -3.788 -2.014 1.00 10.00 H new ATOM 0 HE3 LYS A 61 16.360 -2.847 -1.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 61 16.832 -5.200 -1.932 1.00 10.00 H new ATOM 0 HZ2 LYS A 61 17.273 -4.570 -0.418 1.00 10.00 H new ATOM 0 HZ3 LYS A 61 15.849 -5.482 -0.576 1.00 10.00 H new ATOM 881 N CYS A 62 12.735 0.609 -3.450 1.00 10.00 N ATOM 882 CA CYS A 62 11.761 0.279 -4.504 1.00 10.00 C ATOM 883 C CYS A 62 11.399 -1.213 -4.488 1.00 10.00 C ATOM 884 O CYS A 62 10.224 -1.584 -4.487 1.00 10.00 O ATOM 885 CB CYS A 62 12.290 0.665 -5.869 1.00 10.00 C ATOM 886 SG CYS A 62 13.095 2.298 -5.917 1.00 10.00 S ATOM 0 H CYS A 62 13.514 1.178 -3.781 1.00 10.00 H new ATOM 0 HA CYS A 62 10.857 0.853 -4.299 1.00 10.00 H new ATOM 0 HB2 CYS A 62 13.004 -0.090 -6.198 1.00 10.00 H new ATOM 0 HB3 CYS A 62 11.466 0.656 -6.582 1.00 10.00 H new ATOM 891 N GLY A 63 12.439 -2.052 -4.407 1.00 10.00 N ATOM 892 CA GLY A 63 12.373 -3.506 -4.295 1.00 10.00 C ATOM 893 C GLY A 63 11.414 -4.036 -3.220 1.00 10.00 C ATOM 894 O GLY A 63 10.920 -5.152 -3.330 1.00 10.00 O ATOM 0 H GLY A 63 13.400 -1.711 -4.419 1.00 10.00 H new ATOM 0 HA2 GLY A 63 12.074 -3.915 -5.260 1.00 10.00 H new ATOM 0 HA3 GLY A 63 13.374 -3.884 -4.085 1.00 10.00 H new ATOM 898 N GLY A 64 11.155 -3.253 -2.166 1.00 10.00 N ATOM 899 CA GLY A 64 10.206 -3.616 -1.118 1.00 10.00 C ATOM 900 C GLY A 64 8.770 -3.723 -1.641 1.00 10.00 C ATOM 901 O GLY A 64 7.977 -4.498 -1.113 1.00 10.00 O ATOM 0 H GLY A 64 11.602 -2.348 -2.020 1.00 10.00 H new ATOM 0 HA2 GLY A 64 10.501 -4.569 -0.678 1.00 10.00 H new ATOM 0 HA3 GLY A 64 10.245 -2.872 -0.322 1.00 10.00 H new ATOM 905 N CYS A 65 8.440 -2.944 -2.676 1.00 10.00 N ATOM 906 CA CYS A 65 7.140 -2.985 -3.344 1.00 10.00 C ATOM 907 C CYS A 65 7.255 -3.670 -4.705 1.00 10.00 C ATOM 908 O CYS A 65 6.528 -4.612 -4.998 1.00 10.00 O ATOM 909 CB CYS A 65 6.613 -1.586 -3.514 1.00 10.00 C ATOM 910 SG CYS A 65 6.165 -0.861 -1.910 1.00 10.00 S ATOM 0 H CYS A 65 9.079 -2.258 -3.077 1.00 10.00 H new ATOM 0 HA CYS A 65 6.448 -3.559 -2.728 1.00 10.00 H new ATOM 0 HB2 CYS A 65 7.367 -0.966 -4.000 1.00 10.00 H new ATOM 0 HB3 CYS A 65 5.741 -1.599 -4.168 1.00 10.00 H new ATOM 915 N HIS A 66 8.159 -3.174 -5.545 1.00 10.00 N ATOM 916 CA HIS A 66 8.344 -3.645 -6.903 1.00 10.00 C ATOM 917 C HIS A 66 9.225 -4.902 -6.927 1.00 10.00 C ATOM 918 O HIS A 66 10.430 -4.787 -6.722 1.00 10.00 O ATOM 919 CB HIS A 66 8.971 -2.489 -7.691 1.00 10.00 C ATOM 920 CG HIS A 66 8.039 -1.333 -7.844 1.00 10.00 C ATOM 921 ND1 HIS A 66 6.971 -1.326 -8.685 1.00 10.00 N ATOM 922 CD2 HIS A 66 8.088 -0.115 -7.230 1.00 10.00 C ATOM 923 CE1 HIS A 66 6.384 -0.126 -8.606 1.00 10.00 C ATOM 924 NE2 HIS A 66 7.029 0.666 -7.734 1.00 10.00 N ATOM 0 H HIS A 66 8.794 -2.418 -5.290 1.00 10.00 H new ATOM 0 HA HIS A 66 7.395 -3.934 -7.355 1.00 10.00 H new ATOM 0 HB2 HIS A 66 9.877 -2.157 -7.184 1.00 10.00 H new ATOM 0 HB3 HIS A 66 9.269 -2.845 -8.677 1.00 10.00 H new ATOM 0 HD1 HIS A 66 6.669 -2.102 -9.275 1.00 10.00 H new ATOM 0 HD2 HIS A 66 8.810 0.195 -6.489 1.00 10.00 H new ATOM 0 HE1 HIS A 66 5.509 0.166 -9.168 1.00 10.00 H new ATOM 932 N ILE A 67 8.650 -6.081 -7.198 1.00 10.00 N ATOM 933 CA ILE A 67 9.401 -7.342 -7.269 1.00 10.00 C ATOM 934 C ILE A 67 10.694 -7.189 -8.090 1.00 10.00 C ATOM 935 O ILE A 67 10.651 -6.768 -9.247 1.00 10.00 O ATOM 936 CB ILE A 67 8.513 -8.461 -7.852 1.00 10.00 C ATOM 937 CG1 ILE A 67 7.272 -8.766 -6.991 1.00 10.00 C ATOM 938 CG2 ILE A 67 9.312 -9.752 -8.090 1.00 10.00 C ATOM 939 CD1 ILE A 67 7.569 -9.428 -5.640 1.00 10.00 C ATOM 0 H ILE A 67 7.651 -6.188 -7.374 1.00 10.00 H new ATOM 0 HA ILE A 67 9.691 -7.615 -6.254 1.00 10.00 H new ATOM 0 HB ILE A 67 8.158 -8.078 -8.809 1.00 10.00 H new ATOM 0 HG12 ILE A 67 6.734 -7.835 -6.812 1.00 10.00 H new ATOM 0 HG13 ILE A 67 6.605 -9.415 -7.558 1.00 10.00 H new ATOM 0 HG21 ILE A 67 8.653 -10.517 -8.501 1.00 10.00 H new ATOM 0 HG22 ILE A 67 10.121 -9.555 -8.793 1.00 10.00 H new ATOM 0 HG23 ILE A 67 9.729 -10.101 -7.145 1.00 10.00 H new ATOM 0 HD11 ILE A 67 6.634 -9.603 -5.107 1.00 10.00 H new ATOM 0 HD12 ILE A 67 8.077 -10.379 -5.804 1.00 10.00 H new ATOM 0 HD13 ILE A 67 8.208 -8.774 -5.047 1.00 10.00 H new ATOM 951 N LYS A 68 11.840 -7.515 -7.484 1.00 10.00 N ATOM 952 CA LYS A 68 13.163 -7.364 -8.052 1.00 10.00 C ATOM 953 C LYS A 68 14.110 -8.376 -7.386 1.00 10.00 C ATOM 954 O LYS A 68 15.101 -8.759 -8.049 1.00 10.00 O ATOM 955 CB LYS A 68 13.625 -5.921 -7.802 1.00 10.00 C ATOM 956 CG LYS A 68 14.994 -5.718 -8.444 1.00 10.00 C ATOM 957 CD LYS A 68 15.548 -4.310 -8.204 1.00 10.00 C ATOM 958 CE LYS A 68 16.782 -4.060 -9.080 1.00 10.00 C ATOM 959 NZ LYS A 68 17.764 -5.164 -8.984 1.00 10.00 N ATOM 960 OXT LYS A 68 13.845 -8.704 -6.208 1.00 10.00 O ATOM 0 H LYS A 68 11.860 -7.908 -6.543 1.00 10.00 H new ATOM 0 HA LYS A 68 13.160 -7.556 -9.125 1.00 10.00 H new ATOM 0 HB2 LYS A 68 12.905 -5.218 -8.221 1.00 10.00 H new ATOM 0 HB3 LYS A 68 13.678 -5.723 -6.731 1.00 10.00 H new ATOM 0 HG2 LYS A 68 15.692 -6.453 -8.044 1.00 10.00 H new ATOM 0 HG3 LYS A 68 14.920 -5.899 -9.516 1.00 10.00 H new ATOM 0 HD2 LYS A 68 14.781 -3.568 -8.427 1.00 10.00 H new ATOM 0 HD3 LYS A 68 15.811 -4.191 -7.153 1.00 10.00 H new ATOM 0 HE2 LYS A 68 16.471 -3.940 -10.118 1.00 10.00 H new ATOM 0 HE3 LYS A 68 17.256 -3.126 -8.780 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 18.680 -4.847 -9.360 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 17.876 -5.443 -7.988 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 17.426 -5.978 -9.536 1.00 10.00 H new TER 974 LYS A 68 HETATM 975 FE HEC A 130 -9.645 -1.645 1.131 1.00 10.00 FE HETATM 976 CHA HEC A 130 -10.622 -0.688 -1.934 1.00 10.00 C HETATM 977 CHB HEC A 130 -12.685 -2.538 1.909 1.00 10.00 C HETATM 978 CHC HEC A 130 -8.455 -2.896 3.970 1.00 10.00 C HETATM 979 CHD HEC A 130 -6.602 -0.455 0.431 1.00 10.00 C HETATM 980 NA HEC A 130 -11.298 -1.547 0.218 1.00 10.00 N HETATM 981 C1A HEC A 130 -11.510 -1.154 -1.048 1.00 10.00 C HETATM 982 C2A HEC A 130 -12.896 -1.329 -1.397 1.00 10.00 C HETATM 983 C3A HEC A 130 -13.511 -1.800 -0.273 1.00 10.00 C HETATM 984 C4A HEC A 130 -12.459 -1.995 0.702 1.00 10.00 C HETATM 985 CMA HEC A 130 -14.984 -2.137 -0.142 1.00 10.00 C HETATM 986 CAA HEC A 130 -13.500 -1.229 -2.784 1.00 10.00 C HETATM 987 CBA HEC A 130 -13.128 -2.428 -3.678 1.00 10.00 C HETATM 988 CGA HEC A 130 -13.135 -3.784 -2.943 1.00 10.00 C HETATM 989 O1A HEC A 130 -12.024 -4.269 -2.624 1.00 10.00 O HETATM 990 O2A HEC A 130 -14.246 -4.296 -2.675 1.00 10.00 O HETATM 991 NB HEC A 130 -10.405 -2.504 2.640 1.00 10.00 N HETATM 992 C1B HEC A 130 -11.695 -2.778 2.779 1.00 10.00 C HETATM 993 C2B HEC A 130 -11.932 -3.437 4.045 1.00 10.00 C HETATM 994 C3B HEC A 130 -10.704 -3.576 4.637 1.00 10.00 C HETATM 995 C4B HEC A 130 -9.767 -2.964 3.720 1.00 10.00 C HETATM 996 CMB HEC A 130 -13.272 -3.907 4.586 1.00 10.00 C HETATM 997 CAB HEC A 130 -10.379 -4.325 5.926 1.00 10.00 C HETATM 998 CBB HEC A 130 -10.611 -5.835 5.807 1.00 10.00 C HETATM 999 NC HEC A 130 -7.916 -1.680 1.997 1.00 10.00 N HETATM 1000 C1C HEC A 130 -7.629 -2.248 3.161 1.00 10.00 C HETATM 1001 C2C HEC A 130 -6.222 -2.116 3.457 1.00 10.00 C HETATM 1002 C3C HEC A 130 -5.749 -1.231 2.535 1.00 10.00 C HETATM 1003 C4C HEC A 130 -6.803 -1.099 1.565 1.00 10.00 C HETATM 1004 CMC HEC A 130 -5.419 -2.815 4.536 1.00 10.00 C HETATM 1005 CAC HEC A 130 -4.508 -0.362 2.639 1.00 10.00 C HETATM 1006 CBC HEC A 130 -3.209 -1.062 2.240 1.00 10.00 C HETATM 1007 ND HEC A 130 -8.797 -0.757 -0.423 1.00 10.00 N HETATM 1008 C1D HEC A 130 -7.531 -0.382 -0.495 1.00 10.00 C HETATM 1009 C2D HEC A 130 -7.209 0.099 -1.812 1.00 10.00 C HETATM 1010 C3D HEC A 130 -8.374 0.056 -2.513 1.00 10.00 C HETATM 1011 C4D HEC A 130 -9.353 -0.501 -1.603 1.00 10.00 C HETATM 1012 CMD HEC A 130 -5.834 0.431 -2.351 1.00 10.00 C HETATM 1013 CAD HEC A 130 -8.553 0.471 -3.958 1.00 10.00 C HETATM 1014 CBD HEC A 130 -8.386 -0.703 -4.937 1.00 10.00 C HETATM 1015 CGD HEC A 130 -8.551 -0.281 -6.408 1.00 10.00 C HETATM 1016 O1D HEC A 130 -9.527 0.453 -6.685 1.00 10.00 O HETATM 1017 O2D HEC A 130 -7.690 -0.693 -7.222 1.00 10.00 O HETATM 0 HMD3 HEC A 130 -5.386 1.219 -1.745 1.00 10.00 H new HETATM 0 HMD2 HEC A 130 -5.204 -0.458 -2.313 1.00 10.00 H new HETATM 0 HMD1 HEC A 130 -5.920 0.771 -3.383 1.00 10.00 H new HETATM 0 HMC3 HEC A 130 -5.830 -2.566 5.514 1.00 10.00 H new HETATM 0 HMC2 HEC A 130 -5.468 -3.893 4.385 1.00 10.00 H new HETATM 0 HMC1 HEC A 130 -4.380 -2.489 4.485 1.00 10.00 H new HETATM 0 HMB3 HEC A 130 -13.945 -3.055 4.681 1.00 10.00 H new HETATM 0 HMB2 HEC A 130 -13.705 -4.637 3.902 1.00 10.00 H new HETATM 0 HMB1 HEC A 130 -13.129 -4.366 5.564 1.00 10.00 H new HETATM 0 HMA3 HEC A 130 -15.580 -1.247 -0.342 1.00 10.00 H new HETATM 0 HMA2 HEC A 130 -15.244 -2.917 -0.858 1.00 10.00 H new HETATM 0 HMA1 HEC A 130 -15.188 -2.490 0.869 1.00 10.00 H new HETATM 0 HBD2 HEC A 130 -7.400 -1.147 -4.800 1.00 10.00 H new HETATM 0 HBD1 HEC A 130 -9.119 -1.474 -4.701 1.00 10.00 H new HETATM 0 HBC3 HEC A 130 -3.047 -1.924 2.887 1.00 10.00 H new HETATM 0 HBC2 HEC A 130 -3.278 -1.393 1.204 1.00 10.00 H new HETATM 0 HBC1 HEC A 130 -2.375 -0.368 2.344 1.00 10.00 H new HETATM 0 HBB3 HEC A 130 -11.657 -6.025 5.566 1.00 10.00 H new HETATM 0 HBB2 HEC A 130 -9.978 -6.239 5.017 1.00 10.00 H new HETATM 0 HBB1 HEC A 130 -10.364 -6.317 6.753 1.00 10.00 H new HETATM 0 HBA2 HEC A 130 -13.826 -2.476 -4.514 1.00 10.00 H new HETATM 0 HBA1 HEC A 130 -12.137 -2.260 -4.100 1.00 10.00 H new HETATM 0 HAD2 HEC A 130 -9.543 0.908 -4.086 1.00 10.00 H new HETATM 0 HAD1 HEC A 130 -7.828 1.248 -4.201 1.00 10.00 H new HETATM 0 HAA2 HEC A 130 -14.585 -1.165 -2.700 1.00 10.00 H new HETATM 0 HAA1 HEC A 130 -13.162 -0.308 -3.258 1.00 10.00 H new HETATM 0 HHD HEC A 130 -5.641 0.029 0.258 1.00 10.00 H new HETATM 0 HHC HEC A 130 -8.056 -3.384 4.859 1.00 10.00 H new HETATM 0 HHB HEC A 130 -13.707 -2.792 2.190 1.00 10.00 H new HETATM 0 HHA HEC A 130 -10.949 -0.458 -2.948 1.00 10.00 H new HETATM 0 H2D HEC A 130 -6.805 -0.366 -6.956 1.00 10.00 H new HETATM 0 H2A HEC A 130 -14.119 -5.228 -2.401 1.00 10.00 H new HETATM 1050 FE HEC A 153 2.440 -2.079 3.748 1.00 10.00 FE HETATM 1051 CHA HEC A 153 4.286 -4.554 4.971 1.00 10.00 C HETATM 1052 CHB HEC A 153 3.244 -2.928 0.656 1.00 10.00 C HETATM 1053 CHC HEC A 153 0.237 0.140 2.594 1.00 10.00 C HETATM 1054 CHD HEC A 153 1.948 -0.903 6.830 1.00 10.00 C HETATM 1055 NA HEC A 153 3.565 -3.419 2.980 1.00 10.00 N HETATM 1056 C1A HEC A 153 4.226 -4.380 3.647 1.00 10.00 C HETATM 1057 C2A HEC A 153 4.951 -5.216 2.717 1.00 10.00 C HETATM 1058 C3A HEC A 153 4.667 -4.725 1.474 1.00 10.00 C HETATM 1059 C4A HEC A 153 3.779 -3.604 1.677 1.00 10.00 C HETATM 1060 CMA HEC A 153 5.125 -5.299 0.148 1.00 10.00 C HETATM 1061 CAA HEC A 153 5.994 -6.268 3.044 1.00 10.00 C HETATM 1062 CBA HEC A 153 7.392 -5.636 3.152 1.00 10.00 C HETATM 1063 CGA HEC A 153 8.511 -6.593 3.602 1.00 10.00 C HETATM 1064 O1A HEC A 153 8.394 -7.806 3.316 1.00 10.00 O HETATM 1065 O2A HEC A 153 9.476 -6.085 4.220 1.00 10.00 O HETATM 1066 NB HEC A 153 1.850 -1.523 2.003 1.00 10.00 N HETATM 1067 C1B HEC A 153 2.317 -1.982 0.841 1.00 10.00 C HETATM 1068 C2B HEC A 153 1.668 -1.304 -0.264 1.00 10.00 C HETATM 1069 C3B HEC A 153 0.736 -0.471 0.294 1.00 10.00 C HETATM 1070 C4B HEC A 153 0.918 -0.609 1.726 1.00 10.00 C HETATM 1071 CMB HEC A 153 1.962 -1.461 -1.744 1.00 10.00 C HETATM 1072 CAB HEC A 153 -0.239 0.466 -0.435 1.00 10.00 C HETATM 1073 CBB HEC A 153 -1.006 -0.144 -1.621 1.00 10.00 C HETATM 1074 NC HEC A 153 1.302 -0.686 4.549 1.00 10.00 N HETATM 1075 C1C HEC A 153 0.457 0.105 3.905 1.00 10.00 C HETATM 1076 C2C HEC A 153 -0.198 1.016 4.824 1.00 10.00 C HETATM 1077 C3C HEC A 153 0.328 0.733 6.057 1.00 10.00 C HETATM 1078 C4C HEC A 153 1.270 -0.345 5.833 1.00 10.00 C HETATM 1079 CMC HEC A 153 -1.204 2.113 4.497 1.00 10.00 C HETATM 1080 CAC HEC A 153 0.012 1.370 7.411 1.00 10.00 C HETATM 1081 CBC HEC A 153 -1.260 2.220 7.551 1.00 10.00 C HETATM 1082 ND HEC A 153 3.012 -2.603 5.514 1.00 10.00 N HETATM 1083 C1D HEC A 153 2.701 -1.984 6.650 1.00 10.00 C HETATM 1084 C2D HEC A 153 3.278 -2.678 7.774 1.00 10.00 C HETATM 1085 C3D HEC A 153 3.852 -3.804 7.261 1.00 10.00 C HETATM 1086 C4D HEC A 153 3.736 -3.681 5.822 1.00 10.00 C HETATM 1087 CMD HEC A 153 3.157 -2.307 9.242 1.00 10.00 C HETATM 1088 CAD HEC A 153 4.237 -5.031 8.067 1.00 10.00 C HETATM 1089 CBD HEC A 153 2.961 -5.771 8.502 1.00 10.00 C HETATM 1090 CGD HEC A 153 3.188 -7.064 9.296 1.00 10.00 C HETATM 1091 O1D HEC A 153 2.887 -8.163 8.773 1.00 10.00 O HETATM 1092 O2D HEC A 153 3.519 -7.001 10.503 1.00 10.00 O HETATM 0 HMD3 HEC A 153 3.571 -1.311 9.401 1.00 10.00 H new HETATM 0 HMD2 HEC A 153 2.107 -2.314 9.534 1.00 10.00 H new HETATM 0 HMD1 HEC A 153 3.706 -3.029 9.846 1.00 10.00 H new HETATM 0 HMC3 HEC A 153 -0.748 2.835 3.820 1.00 10.00 H new HETATM 0 HMC2 HEC A 153 -2.081 1.673 4.022 1.00 10.00 H new HETATM 0 HMC1 HEC A 153 -1.504 2.617 5.416 1.00 10.00 H new HETATM 0 HMB3 HEC A 153 2.999 -1.187 -1.940 1.00 10.00 H new HETATM 0 HMB2 HEC A 153 1.799 -2.497 -2.039 1.00 10.00 H new HETATM 0 HMB1 HEC A 153 1.300 -0.812 -2.317 1.00 10.00 H new HETATM 0 HMA3 HEC A 153 6.214 -5.305 0.111 1.00 10.00 H new HETATM 0 HMA2 HEC A 153 4.753 -6.318 0.045 1.00 10.00 H new HETATM 0 HMA1 HEC A 153 4.738 -4.687 -0.667 1.00 10.00 H new HETATM 0 HBD2 HEC A 153 2.357 -5.094 9.107 1.00 10.00 H new HETATM 0 HBD1 HEC A 153 2.378 -6.009 7.612 1.00 10.00 H new HETATM 0 HBC3 HEC A 153 -1.215 3.059 6.857 1.00 10.00 H new HETATM 0 HBC2 HEC A 153 -2.133 1.608 7.325 1.00 10.00 H new HETATM 0 HBC1 HEC A 153 -1.335 2.597 8.571 1.00 10.00 H new HETATM 0 HBB3 HEC A 153 -0.297 -0.487 -2.375 1.00 10.00 H new HETATM 0 HBB2 HEC A 153 -1.602 -0.988 -1.273 1.00 10.00 H new HETATM 0 HBB1 HEC A 153 -1.662 0.610 -2.056 1.00 10.00 H new HETATM 0 HBA2 HEC A 153 7.661 -5.219 2.181 1.00 10.00 H new HETATM 0 HBA1 HEC A 153 7.344 -4.804 3.854 1.00 10.00 H new HETATM 0 HAD2 HEC A 153 4.868 -5.690 7.470 1.00 10.00 H new HETATM 0 HAD1 HEC A 153 4.818 -4.739 8.942 1.00 10.00 H new HETATM 0 HAA2 HEC A 153 5.739 -6.760 3.983 1.00 10.00 H new HETATM 0 HAA1 HEC A 153 5.996 -7.037 2.271 1.00 10.00 H new HETATM 0 HHD HEC A 153 1.885 -0.462 7.825 1.00 10.00 H new HETATM 0 HHC HEC A 153 -0.533 0.810 2.212 1.00 10.00 H new HETATM 0 HHB HEC A 153 3.573 -3.154 -0.358 1.00 10.00 H new HETATM 0 HHA HEC A 153 4.797 -5.431 5.368 1.00 10.00 H new HETATM 0 H2D HEC A 153 4.362 -7.483 10.637 1.00 10.00 H new HETATM 0 H2A HEC A 153 9.998 -6.794 4.651 1.00 10.00 H new HETATM 1125 FE HEC A 166 6.584 2.573 -7.453 1.00 10.00 FE HETATM 1126 CHA HEC A 166 4.304 2.523 -9.916 1.00 10.00 C HETATM 1127 CHB HEC A 166 8.978 3.211 -9.622 1.00 10.00 C HETATM 1128 CHC HEC A 166 8.771 2.798 -4.943 1.00 10.00 C HETATM 1129 CHD HEC A 166 4.296 1.419 -5.334 1.00 10.00 C HETATM 1130 NA HEC A 166 6.632 2.799 -9.349 1.00 10.00 N HETATM 1131 C1A HEC A 166 5.593 2.750 -10.201 1.00 10.00 C HETATM 1132 C2A HEC A 166 6.048 3.064 -11.535 1.00 10.00 C HETATM 1133 C3A HEC A 166 7.405 3.153 -11.462 1.00 10.00 C HETATM 1134 C4A HEC A 166 7.731 3.043 -10.061 1.00 10.00 C HETATM 1135 CMA HEC A 166 8.354 3.392 -12.620 1.00 10.00 C HETATM 1136 CAA HEC A 166 5.214 3.336 -12.766 1.00 10.00 C HETATM 1137 CBA HEC A 166 4.969 2.087 -13.623 1.00 10.00 C HETATM 1138 CGA HEC A 166 4.294 2.420 -14.964 1.00 10.00 C HETATM 1139 O1A HEC A 166 4.481 1.640 -15.920 1.00 10.00 O HETATM 1140 O2A HEC A 166 3.638 3.491 -15.024 1.00 10.00 O HETATM 1141 NB HEC A 166 8.460 2.977 -7.301 1.00 10.00 N HETATM 1142 C1B HEC A 166 9.277 3.190 -8.323 1.00 10.00 C HETATM 1143 C2B HEC A 166 10.623 3.432 -7.858 1.00 10.00 C HETATM 1144 C3B HEC A 166 10.575 3.334 -6.494 1.00 10.00 C HETATM 1145 C4B HEC A 166 9.190 3.041 -6.185 1.00 10.00 C HETATM 1146 CMB HEC A 166 11.834 3.723 -8.728 1.00 10.00 C HETATM 1147 CAB HEC A 166 11.748 3.451 -5.520 1.00 10.00 C HETATM 1148 CBB HEC A 166 12.326 4.868 -5.438 1.00 10.00 C HETATM 1149 NC HEC A 166 6.544 2.196 -5.552 1.00 10.00 N HETATM 1150 C1C HEC A 166 7.551 2.331 -4.703 1.00 10.00 C HETATM 1151 C2C HEC A 166 7.184 1.867 -3.388 1.00 10.00 C HETATM 1152 C3C HEC A 166 5.920 1.367 -3.517 1.00 10.00 C HETATM 1153 C4C HEC A 166 5.523 1.667 -4.877 1.00 10.00 C HETATM 1154 CMC HEC A 166 8.080 1.811 -2.161 1.00 10.00 C HETATM 1155 CAC HEC A 166 5.162 0.531 -2.495 1.00 10.00 C HETATM 1156 CBC HEC A 166 4.623 1.329 -1.312 1.00 10.00 C HETATM 1157 ND HEC A 166 4.682 2.146 -7.584 1.00 10.00 N HETATM 1158 C1D HEC A 166 3.936 1.684 -6.586 1.00 10.00 C HETATM 1159 C2D HEC A 166 2.586 1.456 -7.031 1.00 10.00 C HETATM 1160 C3D HEC A 166 2.565 1.761 -8.359 1.00 10.00 C HETATM 1161 C4D HEC A 166 3.906 2.207 -8.677 1.00 10.00 C HETATM 1162 CMD HEC A 166 1.441 0.878 -6.229 1.00 10.00 C HETATM 1163 CAD HEC A 166 1.430 1.399 -9.301 1.00 10.00 C HETATM 1164 CBD HEC A 166 1.223 -0.123 -9.406 1.00 10.00 C HETATM 1165 CGD HEC A 166 1.050 -0.650 -10.841 1.00 10.00 C HETATM 1166 O1D HEC A 166 0.394 0.045 -11.645 1.00 10.00 O HETATM 1167 O2D HEC A 166 1.598 -1.745 -11.112 1.00 10.00 O HETATM 0 HMD3 HEC A 166 1.701 -0.127 -5.895 1.00 10.00 H new HETATM 0 HMD2 HEC A 166 1.249 1.510 -5.362 1.00 10.00 H new HETATM 0 HMD1 HEC A 166 0.547 0.834 -6.851 1.00 10.00 H new HETATM 0 HMC3 HEC A 166 8.934 1.165 -2.364 1.00 10.00 H new HETATM 0 HMC2 HEC A 166 8.432 2.814 -1.922 1.00 10.00 H new HETATM 0 HMC1 HEC A 166 7.517 1.413 -1.317 1.00 10.00 H new HETATM 0 HMB3 HEC A 166 12.004 2.887 -9.406 1.00 10.00 H new HETATM 0 HMB2 HEC A 166 11.657 4.629 -9.307 1.00 10.00 H new HETATM 0 HMB1 HEC A 166 12.711 3.862 -8.096 1.00 10.00 H new HETATM 0 HMA3 HEC A 166 8.247 2.589 -13.350 1.00 10.00 H new HETATM 0 HMA2 HEC A 166 8.118 4.345 -13.093 1.00 10.00 H new HETATM 0 HMA1 HEC A 166 9.380 3.413 -12.251 1.00 10.00 H new HETATM 0 HBD2 HEC A 166 2.076 -0.625 -8.950 1.00 10.00 H new HETATM 0 HBD1 HEC A 166 0.343 -0.397 -8.824 1.00 10.00 H new HETATM 0 HBC3 HEC A 166 5.451 1.804 -0.786 1.00 10.00 H new HETATM 0 HBC2 HEC A 166 3.936 2.094 -1.672 1.00 10.00 H new HETATM 0 HBC1 HEC A 166 4.097 0.660 -0.631 1.00 10.00 H new HETATM 0 HBB3 HEC A 166 12.684 5.173 -6.422 1.00 10.00 H new HETATM 0 HBB2 HEC A 166 11.551 5.558 -5.104 1.00 10.00 H new HETATM 0 HBB1 HEC A 166 13.155 4.883 -4.730 1.00 10.00 H new HETATM 0 HBA2 HEC A 166 5.919 1.587 -13.812 1.00 10.00 H new HETATM 0 HBA1 HEC A 166 4.344 1.386 -13.069 1.00 10.00 H new HETATM 0 HAD2 HEC A 166 0.509 1.866 -8.953 1.00 10.00 H new HETATM 0 HAD1 HEC A 166 1.639 1.805 -10.291 1.00 10.00 H new HETATM 0 HAA2 HEC A 166 4.254 3.752 -12.461 1.00 10.00 H new HETATM 0 HAA1 HEC A 166 5.711 4.093 -13.373 1.00 10.00 H new HETATM 0 HHD HEC A 166 3.561 0.983 -4.657 1.00 10.00 H new HETATM 0 HHC HEC A 166 9.444 2.987 -4.107 1.00 10.00 H new HETATM 0 HHB HEC A 166 9.777 3.370 -10.346 1.00 10.00 H new HETATM 0 HHA HEC A 166 3.562 2.597 -10.711 1.00 10.00 H new HETATM 0 H2D HEC A 166 1.242 -2.088 -11.958 1.00 10.00 H new HETATM 0 H2A HEC A 166 2.702 3.290 -15.232 1.00 10.00 H new