USER MOD reduce.3.24.130724 H: found=0, std=0, add=529, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 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 36 HIS HD1 : A 36 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 30 THR OG1 : rot 180:sc= -0.556 USER MOD Set 1.2: A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 25:sc= 0.0372 USER MOD Single : A 8 ASN : amide:sc= -0.0135 X(o=-0.013,f=-0.3) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -160:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 161:sc= 0.577 (180deg=0.412) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -5.17! C(o=-5.2!,f=-3.8!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.3!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0327 X(o=-0.033,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.485 K(o=-0.48,f=-3.1!) USER MOD Single : A 63 THR OG1 : rot 40:sc= 0.247 USER MOD Single : A 64 GLN : amide:sc= -2.2! C(o=-2.2!,f=-3!) USER MOD Single : A 67 SER OG : rot -54:sc= 0.332 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.381 -9.418 44.028 1.00 0.00 N ATOM 2 CA GLY A 1 -15.801 -9.576 42.648 1.00 0.00 C ATOM 3 C GLY A 1 -14.632 -9.788 41.706 1.00 0.00 C ATOM 4 O GLY A 1 -13.624 -9.086 41.789 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.216 -9.276 44.631 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.873 -10.271 44.336 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.753 -8.593 44.107 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.482 -10.424 42.574 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.358 -8.692 42.338 1.00 0.00 H new ATOM 8 N SER A 2 -14.765 -10.760 40.810 1.00 0.00 N ATOM 9 CA SER A 2 -13.709 -11.067 39.852 1.00 0.00 C ATOM 10 C SER A 2 -14.192 -12.075 38.815 1.00 0.00 C ATOM 11 O SER A 2 -14.865 -13.051 39.148 1.00 0.00 O ATOM 12 CB SER A 2 -12.477 -11.613 40.577 1.00 0.00 C ATOM 13 OG SER A 2 -12.753 -12.868 41.175 1.00 0.00 O ATOM 0 H SER A 2 -15.594 -11.349 40.727 1.00 0.00 H new ATOM 0 HA SER A 2 -13.440 -10.145 39.337 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.652 -11.716 39.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.157 -10.905 41.341 1.00 0.00 H new ATOM 0 HG SER A 2 -11.950 -13.197 41.631 1.00 0.00 H new ATOM 19 N SER A 3 -13.843 -11.833 37.555 1.00 0.00 N ATOM 20 CA SER A 3 -14.243 -12.717 36.467 1.00 0.00 C ATOM 21 C SER A 3 -13.363 -12.501 35.240 1.00 0.00 C ATOM 22 O SER A 3 -12.837 -11.410 35.024 1.00 0.00 O ATOM 23 CB SER A 3 -15.711 -12.482 36.105 1.00 0.00 C ATOM 24 OG SER A 3 -15.901 -11.187 35.562 1.00 0.00 O ATOM 0 H SER A 3 -13.284 -11.032 37.263 1.00 0.00 H new ATOM 0 HA SER A 3 -14.120 -13.746 36.803 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.036 -13.233 35.385 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.332 -12.602 36.993 1.00 0.00 H new ATOM 0 HG SER A 3 -16.847 -11.062 35.337 1.00 0.00 H new ATOM 30 N GLY A 4 -13.209 -13.550 34.438 1.00 0.00 N ATOM 31 CA GLY A 4 -12.392 -13.456 33.242 1.00 0.00 C ATOM 32 C GLY A 4 -12.154 -14.806 32.595 1.00 0.00 C ATOM 33 O GLY A 4 -11.419 -15.637 33.128 1.00 0.00 O ATOM 0 H GLY A 4 -13.635 -14.463 34.595 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.877 -12.794 32.525 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.433 -13.004 33.495 1.00 0.00 H new ATOM 37 N SER A 5 -12.778 -15.026 31.442 1.00 0.00 N ATOM 38 CA SER A 5 -12.634 -16.287 30.724 1.00 0.00 C ATOM 39 C SER A 5 -12.895 -16.096 29.233 1.00 0.00 C ATOM 40 O SER A 5 -13.575 -15.153 28.826 1.00 0.00 O ATOM 41 CB SER A 5 -13.595 -17.334 31.291 1.00 0.00 C ATOM 42 OG SER A 5 -14.943 -16.980 31.035 1.00 0.00 O ATOM 0 H SER A 5 -13.388 -14.348 30.985 1.00 0.00 H new ATOM 0 HA SER A 5 -11.610 -16.636 30.854 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.381 -18.307 30.848 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.439 -17.432 32.365 1.00 0.00 H new ATOM 0 HG SER A 5 -15.537 -17.666 31.406 1.00 0.00 H new ATOM 48 N SER A 6 -12.350 -16.997 28.423 1.00 0.00 N ATOM 49 CA SER A 6 -12.520 -16.927 26.976 1.00 0.00 C ATOM 50 C SER A 6 -11.900 -18.144 26.296 1.00 0.00 C ATOM 51 O SER A 6 -10.758 -18.509 26.572 1.00 0.00 O ATOM 52 CB SER A 6 -11.888 -15.646 26.429 1.00 0.00 C ATOM 53 OG SER A 6 -10.531 -15.538 26.823 1.00 0.00 O ATOM 0 H SER A 6 -11.787 -17.785 28.744 1.00 0.00 H new ATOM 0 HA SER A 6 -13.588 -16.918 26.761 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.956 -15.639 25.341 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.444 -14.780 26.788 1.00 0.00 H new ATOM 0 HG SER A 6 -10.171 -16.431 27.005 1.00 0.00 H new ATOM 59 N GLY A 7 -12.663 -18.769 25.405 1.00 0.00 N ATOM 60 CA GLY A 7 -12.172 -19.939 24.699 1.00 0.00 C ATOM 61 C GLY A 7 -12.894 -20.168 23.386 1.00 0.00 C ATOM 62 O GLY A 7 -13.586 -21.171 23.218 1.00 0.00 O ATOM 0 H GLY A 7 -13.612 -18.487 25.159 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.105 -19.823 24.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.289 -20.818 25.333 1.00 0.00 H new ATOM 66 N ASN A 8 -12.734 -19.235 22.453 1.00 0.00 N ATOM 67 CA ASN A 8 -13.378 -19.340 21.149 1.00 0.00 C ATOM 68 C ASN A 8 -12.845 -18.277 20.192 1.00 0.00 C ATOM 69 O ASN A 8 -13.006 -17.079 20.426 1.00 0.00 O ATOM 70 CB ASN A 8 -14.895 -19.198 21.293 1.00 0.00 C ATOM 71 CG ASN A 8 -15.566 -18.818 19.987 1.00 0.00 C ATOM 72 OD1 ASN A 8 -15.716 -17.637 19.674 1.00 0.00 O ATOM 73 ND2 ASN A 8 -15.976 -19.821 19.219 1.00 0.00 N ATOM 0 H ASN A 8 -12.164 -18.398 22.576 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.149 -20.323 20.737 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.313 -20.138 21.653 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.117 -18.442 22.046 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -16.436 -19.627 18.330 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.831 -20.785 19.519 1.00 0.00 H new ATOM 80 N LEU A 9 -12.211 -18.725 19.114 1.00 0.00 N ATOM 81 CA LEU A 9 -11.654 -17.813 18.121 1.00 0.00 C ATOM 82 C LEU A 9 -11.286 -18.559 16.843 1.00 0.00 C ATOM 83 O LEU A 9 -10.970 -19.749 16.875 1.00 0.00 O ATOM 84 CB LEU A 9 -10.421 -17.104 18.684 1.00 0.00 C ATOM 85 CG LEU A 9 -9.313 -18.011 19.220 1.00 0.00 C ATOM 86 CD1 LEU A 9 -8.411 -18.478 18.089 1.00 0.00 C ATOM 87 CD2 LEU A 9 -8.502 -17.288 20.287 1.00 0.00 C ATOM 0 H LEU A 9 -12.070 -19.713 18.905 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.414 -17.070 17.880 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.000 -16.473 17.901 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.742 -16.442 19.488 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.775 -18.888 19.674 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.629 -19.122 18.490 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.000 -19.034 17.359 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.956 -17.613 17.605 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.718 -17.948 20.658 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.051 -16.394 19.857 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.156 -17.004 21.111 1.00 0.00 H new ATOM 99 N SER A 10 -11.327 -17.852 15.718 1.00 0.00 N ATOM 100 CA SER A 10 -11.000 -18.448 14.428 1.00 0.00 C ATOM 101 C SER A 10 -9.488 -18.520 14.231 1.00 0.00 C ATOM 102 O SER A 10 -8.765 -17.576 14.548 1.00 0.00 O ATOM 103 CB SER A 10 -11.636 -17.642 13.294 1.00 0.00 C ATOM 104 OG SER A 10 -13.001 -17.985 13.128 1.00 0.00 O ATOM 0 H SER A 10 -11.583 -16.866 15.674 1.00 0.00 H new ATOM 0 HA SER A 10 -11.400 -19.462 14.412 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.549 -16.577 13.507 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.096 -17.826 12.365 1.00 0.00 H new ATOM 0 HG SER A 10 -13.385 -17.455 12.399 1.00 0.00 H new ATOM 110 N GLU A 11 -9.019 -19.647 13.704 1.00 0.00 N ATOM 111 CA GLU A 11 -7.594 -19.843 13.466 1.00 0.00 C ATOM 112 C GLU A 11 -7.336 -20.246 12.017 1.00 0.00 C ATOM 113 O GLU A 11 -7.161 -21.426 11.710 1.00 0.00 O ATOM 114 CB GLU A 11 -7.038 -20.910 14.411 1.00 0.00 C ATOM 115 CG GLU A 11 -5.524 -20.883 14.536 1.00 0.00 C ATOM 116 CD GLU A 11 -4.993 -19.509 14.895 1.00 0.00 C ATOM 117 OE1 GLU A 11 -5.748 -18.723 15.504 1.00 0.00 O ATOM 118 OE2 GLU A 11 -3.823 -19.220 14.566 1.00 0.00 O ATOM 0 H GLU A 11 -9.605 -20.437 13.434 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.086 -18.898 13.659 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.478 -20.773 15.399 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.347 -21.893 14.057 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.213 -21.599 15.297 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.080 -21.206 13.594 1.00 0.00 H new ATOM 125 N LEU A 12 -7.313 -19.258 11.129 1.00 0.00 N ATOM 126 CA LEU A 12 -7.076 -19.508 9.712 1.00 0.00 C ATOM 127 C LEU A 12 -6.334 -18.340 9.069 1.00 0.00 C ATOM 128 O LEU A 12 -6.256 -17.251 9.638 1.00 0.00 O ATOM 129 CB LEU A 12 -8.402 -19.745 8.987 1.00 0.00 C ATOM 130 CG LEU A 12 -9.021 -21.133 9.157 1.00 0.00 C ATOM 131 CD1 LEU A 12 -10.439 -21.155 8.609 1.00 0.00 C ATOM 132 CD2 LEU A 12 -8.165 -22.186 8.469 1.00 0.00 C ATOM 0 H LEU A 12 -7.456 -18.276 11.366 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.456 -20.400 9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.121 -19.003 9.335 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.249 -19.565 7.923 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.061 -21.365 10.221 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.864 -22.150 8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.048 -20.428 9.146 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.423 -20.902 7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.620 -23.168 8.600 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -8.093 -21.958 7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.167 -22.187 8.908 1.00 0.00 H new ATOM 144 N THR A 13 -5.791 -18.574 7.878 1.00 0.00 N ATOM 145 CA THR A 13 -5.056 -17.542 7.158 1.00 0.00 C ATOM 146 C THR A 13 -5.999 -16.475 6.612 1.00 0.00 C ATOM 147 O THR A 13 -7.101 -16.766 6.146 1.00 0.00 O ATOM 148 CB THR A 13 -4.246 -18.140 5.992 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.399 -17.137 5.419 1.00 0.00 O ATOM 150 CG2 THR A 13 -5.170 -18.702 4.923 1.00 0.00 C ATOM 0 H THR A 13 -5.847 -19.469 7.392 1.00 0.00 H new ATOM 0 HA THR A 13 -4.370 -17.086 7.872 1.00 0.00 H new ATOM 0 HB THR A 13 -3.633 -18.952 6.383 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.886 -17.525 4.680 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.575 -19.119 4.110 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.793 -19.485 5.355 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.806 -17.906 4.536 1.00 0.00 H new ATOM 158 N PRO A 14 -5.558 -15.210 6.669 1.00 0.00 N ATOM 159 CA PRO A 14 -6.347 -14.074 6.183 1.00 0.00 C ATOM 160 C PRO A 14 -6.475 -14.065 4.663 1.00 0.00 C ATOM 161 O PRO A 14 -5.908 -14.916 3.978 1.00 0.00 O ATOM 162 CB PRO A 14 -5.549 -12.858 6.660 1.00 0.00 C ATOM 163 CG PRO A 14 -4.150 -13.351 6.790 1.00 0.00 C ATOM 164 CD PRO A 14 -4.255 -14.790 7.211 1.00 0.00 C ATOM 0 HA PRO A 14 -7.372 -14.101 6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.615 -12.037 5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.927 -12.485 7.612 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.615 -13.259 5.845 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.598 -12.768 7.527 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.439 -15.388 6.805 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.218 -14.895 8.295 1.00 0.00 H new ATOM 172 N TYR A 15 -7.223 -13.098 4.143 1.00 0.00 N ATOM 173 CA TYR A 15 -7.427 -12.980 2.705 1.00 0.00 C ATOM 174 C TYR A 15 -6.955 -11.620 2.197 1.00 0.00 C ATOM 175 O TYR A 15 -5.918 -11.516 1.542 1.00 0.00 O ATOM 176 CB TYR A 15 -8.904 -13.180 2.359 1.00 0.00 C ATOM 177 CG TYR A 15 -9.494 -14.447 2.937 1.00 0.00 C ATOM 178 CD1 TYR A 15 -8.892 -15.680 2.718 1.00 0.00 C ATOM 179 CD2 TYR A 15 -10.653 -14.410 3.702 1.00 0.00 C ATOM 180 CE1 TYR A 15 -9.428 -16.840 3.243 1.00 0.00 C ATOM 181 CE2 TYR A 15 -11.195 -15.565 4.232 1.00 0.00 C ATOM 182 CZ TYR A 15 -10.580 -16.777 4.000 1.00 0.00 C ATOM 183 OH TYR A 15 -11.117 -17.929 4.526 1.00 0.00 O ATOM 0 H TYR A 15 -7.698 -12.385 4.696 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.838 -13.756 2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -9.473 -12.325 2.723 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -9.016 -13.199 1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -7.989 -15.732 2.127 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -11.138 -13.463 3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.948 -17.791 3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -12.096 -15.519 4.825 1.00 0.00 H new ATOM 0 HH TYR A 15 -11.926 -17.711 5.034 1.00 0.00 H new ATOM 193 N ILE A 16 -7.723 -10.582 2.507 1.00 0.00 N ATOM 194 CA ILE A 16 -7.384 -9.228 2.084 1.00 0.00 C ATOM 195 C ILE A 16 -7.553 -8.236 3.230 1.00 0.00 C ATOM 196 O ILE A 16 -8.665 -7.797 3.526 1.00 0.00 O ATOM 197 CB ILE A 16 -8.251 -8.775 0.895 1.00 0.00 C ATOM 198 CG1 ILE A 16 -7.981 -9.656 -0.326 1.00 0.00 C ATOM 199 CG2 ILE A 16 -7.983 -7.313 0.571 1.00 0.00 C ATOM 200 CD1 ILE A 16 -8.843 -9.313 -1.521 1.00 0.00 C ATOM 0 H ILE A 16 -8.584 -10.652 3.049 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.339 -9.247 1.774 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.301 -8.879 1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.932 -9.563 -0.606 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.147 -10.699 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.603 -7.007 -0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.222 -6.698 1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.932 -7.184 0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -8.597 -9.977 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.894 -9.434 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.660 -8.280 -1.818 1.00 0.00 H new ATOM 212 N LEU A 17 -6.443 -7.886 3.870 1.00 0.00 N ATOM 213 CA LEU A 17 -6.468 -6.943 4.983 1.00 0.00 C ATOM 214 C LEU A 17 -5.122 -6.241 5.132 1.00 0.00 C ATOM 215 O LEU A 17 -4.188 -6.497 4.371 1.00 0.00 O ATOM 216 CB LEU A 17 -6.825 -7.667 6.283 1.00 0.00 C ATOM 217 CG LEU A 17 -8.220 -8.289 6.343 1.00 0.00 C ATOM 218 CD1 LEU A 17 -8.365 -9.157 7.583 1.00 0.00 C ATOM 219 CD2 LEU A 17 -9.289 -7.206 6.320 1.00 0.00 C ATOM 0 H LEU A 17 -5.515 -8.240 3.638 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.228 -6.191 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.090 -8.455 6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.728 -6.960 7.107 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.353 -8.921 5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.364 -9.591 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.623 -9.955 7.557 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.211 -8.548 8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.276 -7.668 6.363 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.158 -6.548 7.179 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.200 -6.626 5.401 1.00 0.00 H new ATOM 231 N CYS A 18 -5.027 -5.357 6.119 1.00 0.00 N ATOM 232 CA CYS A 18 -3.795 -4.619 6.370 1.00 0.00 C ATOM 233 C CYS A 18 -3.185 -5.019 7.710 1.00 0.00 C ATOM 234 O CYS A 18 -3.828 -5.683 8.524 1.00 0.00 O ATOM 235 CB CYS A 18 -4.065 -3.113 6.350 1.00 0.00 C ATOM 236 SG CYS A 18 -2.564 -2.091 6.207 1.00 0.00 S ATOM 0 H CYS A 18 -5.789 -5.134 6.759 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.086 -4.865 5.580 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.728 -2.885 5.516 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.594 -2.837 7.262 1.00 0.00 H new ATOM 241 N SER A 19 -1.939 -4.611 7.933 1.00 0.00 N ATOM 242 CA SER A 19 -1.240 -4.930 9.172 1.00 0.00 C ATOM 243 C SER A 19 -1.090 -3.688 10.046 1.00 0.00 C ATOM 244 O SER A 19 -1.029 -3.783 11.272 1.00 0.00 O ATOM 245 CB SER A 19 0.137 -5.523 8.867 1.00 0.00 C ATOM 246 OG SER A 19 0.782 -5.951 10.054 1.00 0.00 O ATOM 0 H SER A 19 -1.393 -4.059 7.271 1.00 0.00 H new ATOM 0 HA SER A 19 -1.832 -5.666 9.716 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.030 -6.365 8.183 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.753 -4.779 8.362 1.00 0.00 H new ATOM 0 HG SER A 19 1.746 -6.025 9.894 1.00 0.00 H new ATOM 252 N ILE A 20 -1.031 -2.525 9.405 1.00 0.00 N ATOM 253 CA ILE A 20 -0.889 -1.265 10.123 1.00 0.00 C ATOM 254 C ILE A 20 -2.249 -0.706 10.528 1.00 0.00 C ATOM 255 O ILE A 20 -2.502 -0.449 11.705 1.00 0.00 O ATOM 256 CB ILE A 20 -0.147 -0.215 9.276 1.00 0.00 C ATOM 257 CG1 ILE A 20 1.251 -0.718 8.911 1.00 0.00 C ATOM 258 CG2 ILE A 20 -0.062 1.107 10.025 1.00 0.00 C ATOM 259 CD1 ILE A 20 1.726 -0.251 7.553 1.00 0.00 C ATOM 0 H ILE A 20 -1.079 -2.430 8.391 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.305 -1.477 11.018 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.706 -0.052 8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.958 -0.383 9.669 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.253 -1.808 8.933 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.465 1.839 9.413 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.068 1.470 10.238 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.477 0.961 10.961 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.724 -0.645 7.361 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.040 -0.609 6.785 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.757 0.838 7.533 1.00 0.00 H new ATOM 271 N CYS A 21 -3.124 -0.523 9.544 1.00 0.00 N ATOM 272 CA CYS A 21 -4.460 0.004 9.796 1.00 0.00 C ATOM 273 C CYS A 21 -5.459 -1.129 10.010 1.00 0.00 C ATOM 274 O CYS A 21 -6.522 -0.932 10.599 1.00 0.00 O ATOM 275 CB CYS A 21 -4.912 0.884 8.629 1.00 0.00 C ATOM 276 SG CYS A 21 -5.456 -0.048 7.162 1.00 0.00 S ATOM 0 H CYS A 21 -2.931 -0.732 8.564 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.421 0.607 10.703 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.730 1.522 8.965 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.091 1.542 8.344 1.00 0.00 H new ATOM 281 N LYS A 22 -5.111 -2.317 9.528 1.00 0.00 N ATOM 282 CA LYS A 22 -5.975 -3.483 9.667 1.00 0.00 C ATOM 283 C LYS A 22 -7.310 -3.258 8.964 1.00 0.00 C ATOM 284 O LYS A 22 -8.363 -3.634 9.476 1.00 0.00 O ATOM 285 CB LYS A 22 -6.212 -3.795 11.146 1.00 0.00 C ATOM 286 CG LYS A 22 -4.948 -4.175 11.898 1.00 0.00 C ATOM 287 CD LYS A 22 -4.656 -5.662 11.782 1.00 0.00 C ATOM 288 CE LYS A 22 -3.804 -6.154 12.941 1.00 0.00 C ATOM 289 NZ LYS A 22 -2.348 -6.054 12.641 1.00 0.00 N ATOM 0 H LYS A 22 -4.235 -2.498 9.037 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.476 -4.331 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.662 -2.925 11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.931 -4.610 11.226 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.105 -3.606 11.506 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.053 -3.905 12.949 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.594 -6.217 11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.142 -5.861 10.841 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.032 -5.570 13.833 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.058 -7.190 13.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.808 -6.084 13.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.063 -6.850 12.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.156 -5.158 12.149 1.00 0.00 H new ATOM 303 N GLY A 23 -7.257 -2.643 7.786 1.00 0.00 N ATOM 304 CA GLY A 23 -8.468 -2.381 7.031 1.00 0.00 C ATOM 305 C GLY A 23 -8.317 -2.709 5.559 1.00 0.00 C ATOM 306 O GLY A 23 -7.201 -2.793 5.046 1.00 0.00 O ATOM 0 H GLY A 23 -6.397 -2.322 7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.286 -2.967 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.740 -1.331 7.140 1.00 0.00 H new ATOM 310 N TYR A 24 -9.442 -2.896 4.878 1.00 0.00 N ATOM 311 CA TYR A 24 -9.430 -3.222 3.457 1.00 0.00 C ATOM 312 C TYR A 24 -8.394 -2.383 2.715 1.00 0.00 C ATOM 313 O TYR A 24 -8.342 -1.161 2.867 1.00 0.00 O ATOM 314 CB TYR A 24 -10.815 -2.996 2.849 1.00 0.00 C ATOM 315 CG TYR A 24 -11.688 -4.231 2.858 1.00 0.00 C ATOM 316 CD1 TYR A 24 -12.023 -4.860 4.051 1.00 0.00 C ATOM 317 CD2 TYR A 24 -12.178 -4.768 1.674 1.00 0.00 C ATOM 318 CE1 TYR A 24 -12.820 -5.989 4.064 1.00 0.00 C ATOM 319 CE2 TYR A 24 -12.977 -5.896 1.678 1.00 0.00 C ATOM 320 CZ TYR A 24 -13.294 -6.502 2.875 1.00 0.00 C ATOM 321 OH TYR A 24 -14.089 -7.626 2.883 1.00 0.00 O ATOM 0 H TYR A 24 -10.374 -2.827 5.287 1.00 0.00 H new ATOM 0 HA TYR A 24 -9.162 -4.273 3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -11.319 -2.201 3.399 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -10.700 -2.650 1.822 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -11.654 -4.460 4.984 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.930 -4.296 0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -13.070 -6.467 5.000 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -13.351 -6.300 0.749 1.00 0.00 H new ATOM 0 HH TYR A 24 -14.339 -7.856 1.964 1.00 0.00 H new ATOM 331 N LEU A 25 -7.571 -3.046 1.910 1.00 0.00 N ATOM 332 CA LEU A 25 -6.536 -2.364 1.142 1.00 0.00 C ATOM 333 C LEU A 25 -7.141 -1.608 -0.037 1.00 0.00 C ATOM 334 O LEU A 25 -7.686 -2.213 -0.960 1.00 0.00 O ATOM 335 CB LEU A 25 -5.499 -3.369 0.640 1.00 0.00 C ATOM 336 CG LEU A 25 -4.918 -4.316 1.691 1.00 0.00 C ATOM 337 CD1 LEU A 25 -4.556 -5.653 1.063 1.00 0.00 C ATOM 338 CD2 LEU A 25 -3.701 -3.691 2.357 1.00 0.00 C ATOM 0 H LEU A 25 -7.601 -4.056 1.772 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.047 -1.644 1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.955 -3.969 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.678 -2.816 0.184 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.676 -4.490 2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.144 -6.314 1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.449 -6.107 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.815 -5.498 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.301 -4.379 3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.939 -3.487 1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.990 -2.759 2.842 1.00 0.00 H new ATOM 350 N ILE A 26 -7.040 -0.284 0.001 1.00 0.00 N ATOM 351 CA ILE A 26 -7.575 0.553 -1.065 1.00 0.00 C ATOM 352 C ILE A 26 -6.683 0.506 -2.301 1.00 0.00 C ATOM 353 O ILE A 26 -7.074 -0.023 -3.342 1.00 0.00 O ATOM 354 CB ILE A 26 -7.725 2.017 -0.611 1.00 0.00 C ATOM 355 CG1 ILE A 26 -8.595 2.097 0.646 1.00 0.00 C ATOM 356 CG2 ILE A 26 -8.320 2.861 -1.728 1.00 0.00 C ATOM 357 CD1 ILE A 26 -10.040 1.722 0.405 1.00 0.00 C ATOM 0 H ILE A 26 -6.593 0.232 0.759 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.559 0.155 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.737 2.411 -0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.179 1.438 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.553 3.111 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -8.419 3.893 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.666 2.825 -2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.302 2.471 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.597 1.801 1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.473 2.396 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.093 0.698 0.037 1.00 0.00 H new ATOM 369 N ASP A 27 -5.482 1.060 -2.178 1.00 0.00 N ATOM 370 CA ASP A 27 -4.531 1.078 -3.285 1.00 0.00 C ATOM 371 C ASP A 27 -3.929 -0.305 -3.507 1.00 0.00 C ATOM 372 O ASP A 27 -3.775 -0.751 -4.643 1.00 0.00 O ATOM 373 CB ASP A 27 -3.421 2.094 -3.014 1.00 0.00 C ATOM 374 CG ASP A 27 -2.756 2.578 -4.287 1.00 0.00 C ATOM 375 OD1 ASP A 27 -2.174 1.741 -5.009 1.00 0.00 O ATOM 376 OD2 ASP A 27 -2.818 3.794 -4.563 1.00 0.00 O ATOM 0 H ASP A 27 -5.143 1.503 -1.324 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.067 1.369 -4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.836 2.947 -2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.671 1.643 -2.364 1.00 0.00 H new ATOM 381 N ALA A 28 -3.590 -0.980 -2.413 1.00 0.00 N ATOM 382 CA ALA A 28 -3.005 -2.313 -2.488 1.00 0.00 C ATOM 383 C ALA A 28 -1.550 -2.250 -2.942 1.00 0.00 C ATOM 384 O ALA A 28 -1.146 -2.957 -3.866 1.00 0.00 O ATOM 385 CB ALA A 28 -3.816 -3.192 -3.429 1.00 0.00 C ATOM 0 H ALA A 28 -3.711 -0.625 -1.464 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.028 -2.750 -1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.368 -4.185 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.839 -3.272 -3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.823 -2.750 -4.425 1.00 0.00 H new ATOM 391 N THR A 29 -0.767 -1.398 -2.287 1.00 0.00 N ATOM 392 CA THR A 29 0.642 -1.241 -2.624 1.00 0.00 C ATOM 393 C THR A 29 1.486 -2.335 -1.981 1.00 0.00 C ATOM 394 O THR A 29 1.786 -2.282 -0.787 1.00 0.00 O ATOM 395 CB THR A 29 1.176 0.133 -2.179 1.00 0.00 C ATOM 396 OG1 THR A 29 0.346 1.175 -2.704 1.00 0.00 O ATOM 397 CG2 THR A 29 2.609 0.334 -2.649 1.00 0.00 C ATOM 0 H THR A 29 -1.085 -0.806 -1.520 1.00 0.00 H new ATOM 0 HA THR A 29 0.718 -1.318 -3.709 1.00 0.00 H new ATOM 0 HB THR A 29 1.159 0.170 -1.090 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.691 2.045 -2.415 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.965 1.311 -2.323 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.244 -0.444 -2.224 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.646 0.279 -3.737 1.00 0.00 H new ATOM 405 N THR A 30 1.869 -3.328 -2.778 1.00 0.00 N ATOM 406 CA THR A 30 2.678 -4.435 -2.286 1.00 0.00 C ATOM 407 C THR A 30 4.153 -4.224 -2.609 1.00 0.00 C ATOM 408 O THR A 30 4.529 -4.086 -3.774 1.00 0.00 O ATOM 409 CB THR A 30 2.220 -5.777 -2.886 1.00 0.00 C ATOM 410 OG1 THR A 30 0.867 -6.048 -2.503 1.00 0.00 O ATOM 411 CG2 THR A 30 3.121 -6.913 -2.424 1.00 0.00 C ATOM 0 H THR A 30 1.631 -3.387 -3.768 1.00 0.00 H new ATOM 0 HA THR A 30 2.546 -4.466 -1.204 1.00 0.00 H new ATOM 0 HB THR A 30 2.282 -5.704 -3.972 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.582 -6.902 -2.890 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.777 -7.851 -2.861 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.145 -6.718 -2.743 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.087 -6.985 -1.337 1.00 0.00 H new ATOM 419 N ILE A 31 4.984 -4.200 -1.573 1.00 0.00 N ATOM 420 CA ILE A 31 6.418 -4.008 -1.748 1.00 0.00 C ATOM 421 C ILE A 31 7.049 -5.197 -2.464 1.00 0.00 C ATOM 422 O ILE A 31 6.458 -6.275 -2.540 1.00 0.00 O ATOM 423 CB ILE A 31 7.128 -3.801 -0.397 1.00 0.00 C ATOM 424 CG1 ILE A 31 6.438 -2.692 0.401 1.00 0.00 C ATOM 425 CG2 ILE A 31 8.596 -3.469 -0.615 1.00 0.00 C ATOM 426 CD1 ILE A 31 6.823 -2.672 1.864 1.00 0.00 C ATOM 0 H ILE A 31 4.689 -4.311 -0.603 1.00 0.00 H new ATOM 0 HA ILE A 31 6.544 -3.112 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 31 7.067 -4.727 0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.684 -1.728 -0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.358 -2.815 0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.084 -3.326 0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.079 -4.288 -1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.679 -2.555 -1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.297 -1.861 2.368 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.552 -3.622 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.898 -2.518 1.955 1.00 0.00 H new ATOM 438 N THR A 32 8.255 -4.995 -2.986 1.00 0.00 N ATOM 439 CA THR A 32 8.967 -6.051 -3.695 1.00 0.00 C ATOM 440 C THR A 32 10.065 -6.652 -2.826 1.00 0.00 C ATOM 441 O THR A 32 10.331 -7.852 -2.889 1.00 0.00 O ATOM 442 CB THR A 32 9.591 -5.527 -5.002 1.00 0.00 C ATOM 443 OG1 THR A 32 8.567 -5.020 -5.866 1.00 0.00 O ATOM 444 CG2 THR A 32 10.362 -6.629 -5.714 1.00 0.00 C ATOM 0 H THR A 32 8.759 -4.110 -2.931 1.00 0.00 H new ATOM 0 HA THR A 32 8.234 -6.822 -3.934 1.00 0.00 H new ATOM 0 HB THR A 32 10.284 -4.724 -4.751 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.973 -4.687 -6.694 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.793 -6.235 -6.634 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.159 -6.992 -5.066 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.686 -7.450 -5.953 1.00 0.00 H new ATOM 452 N GLU A 33 10.700 -5.811 -2.016 1.00 0.00 N ATOM 453 CA GLU A 33 11.770 -6.262 -1.134 1.00 0.00 C ATOM 454 C GLU A 33 11.322 -7.461 -0.304 1.00 0.00 C ATOM 455 O GLU A 33 11.909 -8.541 -0.384 1.00 0.00 O ATOM 456 CB GLU A 33 12.213 -5.125 -0.211 1.00 0.00 C ATOM 457 CG GLU A 33 13.580 -5.348 0.416 1.00 0.00 C ATOM 458 CD GLU A 33 14.308 -4.049 0.702 1.00 0.00 C ATOM 459 OE1 GLU A 33 14.186 -3.108 -0.109 1.00 0.00 O ATOM 460 OE2 GLU A 33 15.001 -3.974 1.739 1.00 0.00 O ATOM 0 H GLU A 33 10.492 -4.814 -1.952 1.00 0.00 H new ATOM 0 HA GLU A 33 12.613 -6.566 -1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.230 -4.194 -0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.475 -5.003 0.581 1.00 0.00 H new ATOM 0 HG2 GLU A 33 13.463 -5.907 1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 33 14.186 -5.961 -0.251 1.00 0.00 H new ATOM 467 N CYS A 34 10.279 -7.264 0.495 1.00 0.00 N ATOM 468 CA CYS A 34 9.751 -8.327 1.341 1.00 0.00 C ATOM 469 C CYS A 34 8.363 -8.756 0.874 1.00 0.00 C ATOM 470 O CYS A 34 7.539 -9.206 1.672 1.00 0.00 O ATOM 471 CB CYS A 34 9.691 -7.865 2.798 1.00 0.00 C ATOM 472 SG CYS A 34 9.273 -6.103 3.003 1.00 0.00 S ATOM 0 H CYS A 34 9.782 -6.377 0.574 1.00 0.00 H new ATOM 0 HA CYS A 34 10.421 -9.184 1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.953 -8.467 3.329 1.00 0.00 H new ATOM 0 HB3 CYS A 34 10.656 -8.056 3.268 1.00 0.00 H new ATOM 477 N LEU A 35 8.112 -8.615 -0.422 1.00 0.00 N ATOM 478 CA LEU A 35 6.824 -8.989 -0.997 1.00 0.00 C ATOM 479 C LEU A 35 5.710 -8.865 0.037 1.00 0.00 C ATOM 480 O LEU A 35 4.929 -9.796 0.238 1.00 0.00 O ATOM 481 CB LEU A 35 6.879 -10.419 -1.536 1.00 0.00 C ATOM 482 CG LEU A 35 7.383 -10.577 -2.971 1.00 0.00 C ATOM 483 CD1 LEU A 35 7.559 -12.048 -3.316 1.00 0.00 C ATOM 484 CD2 LEU A 35 6.428 -9.909 -3.948 1.00 0.00 C ATOM 0 H LEU A 35 8.783 -8.245 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 35 6.609 -8.306 -1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.520 -11.009 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.879 -10.848 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 35 8.354 -10.088 -3.051 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.918 -12.141 -4.341 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.283 -12.497 -2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.602 -12.561 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.803 -10.031 -4.964 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.443 -10.369 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.353 -8.847 -3.715 1.00 0.00 H new ATOM 496 N HIS A 36 5.641 -7.709 0.689 1.00 0.00 N ATOM 497 CA HIS A 36 4.620 -7.462 1.701 1.00 0.00 C ATOM 498 C HIS A 36 3.580 -6.467 1.193 1.00 0.00 C ATOM 499 O HIS A 36 3.915 -5.493 0.517 1.00 0.00 O ATOM 500 CB HIS A 36 5.261 -6.936 2.986 1.00 0.00 C ATOM 501 CG HIS A 36 5.959 -7.994 3.783 1.00 0.00 C ATOM 502 ND1 HIS A 36 7.018 -7.726 4.625 1.00 0.00 N ATOM 503 CD2 HIS A 36 5.742 -9.327 3.867 1.00 0.00 C ATOM 504 CE1 HIS A 36 7.424 -8.849 5.189 1.00 0.00 C ATOM 505 NE2 HIS A 36 6.666 -9.836 4.746 1.00 0.00 N ATOM 0 H HIS A 36 6.280 -6.929 0.535 1.00 0.00 H new ATOM 0 HA HIS A 36 4.120 -8.407 1.914 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.976 -6.153 2.732 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.491 -6.476 3.605 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.983 -9.887 3.340 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.238 -8.944 5.893 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.753 -10.816 5.013 1.00 0.00 H new ATOM 513 N THR A 37 2.317 -6.718 1.522 1.00 0.00 N ATOM 514 CA THR A 37 1.229 -5.847 1.098 1.00 0.00 C ATOM 515 C THR A 37 1.052 -4.679 2.061 1.00 0.00 C ATOM 516 O THR A 37 1.094 -4.854 3.279 1.00 0.00 O ATOM 517 CB THR A 37 -0.101 -6.618 0.994 1.00 0.00 C ATOM 518 OG1 THR A 37 0.123 -7.904 0.406 1.00 0.00 O ATOM 519 CG2 THR A 37 -1.112 -5.843 0.162 1.00 0.00 C ATOM 0 H THR A 37 2.022 -7.518 2.081 1.00 0.00 H new ATOM 0 HA THR A 37 1.497 -5.465 0.113 1.00 0.00 H new ATOM 0 HB THR A 37 -0.502 -6.744 2.000 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.727 -8.388 0.345 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.043 -6.407 0.103 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.302 -4.876 0.628 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.716 -5.690 -0.842 1.00 0.00 H new ATOM 527 N PHE A 38 0.854 -3.487 1.509 1.00 0.00 N ATOM 528 CA PHE A 38 0.671 -2.289 2.320 1.00 0.00 C ATOM 529 C PHE A 38 -0.167 -1.252 1.578 1.00 0.00 C ATOM 530 O PHE A 38 -0.026 -1.073 0.368 1.00 0.00 O ATOM 531 CB PHE A 38 2.028 -1.690 2.696 1.00 0.00 C ATOM 532 CG PHE A 38 2.789 -2.510 3.697 1.00 0.00 C ATOM 533 CD1 PHE A 38 2.343 -2.620 5.005 1.00 0.00 C ATOM 534 CD2 PHE A 38 3.949 -3.173 3.331 1.00 0.00 C ATOM 535 CE1 PHE A 38 3.042 -3.374 5.929 1.00 0.00 C ATOM 536 CE2 PHE A 38 4.652 -3.929 4.251 1.00 0.00 C ATOM 537 CZ PHE A 38 4.197 -4.030 5.551 1.00 0.00 C ATOM 0 H PHE A 38 0.816 -3.325 0.503 1.00 0.00 H new ATOM 0 HA PHE A 38 0.142 -2.574 3.230 1.00 0.00 H new ATOM 0 HB2 PHE A 38 2.631 -1.581 1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.875 -0.689 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.439 -2.111 5.305 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.308 -3.099 2.315 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.685 -3.450 6.946 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.556 -4.440 3.953 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.744 -4.621 6.271 1.00 0.00 H new ATOM 547 N CYS A 39 -1.041 -0.572 2.312 1.00 0.00 N ATOM 548 CA CYS A 39 -1.904 0.447 1.725 1.00 0.00 C ATOM 549 C CYS A 39 -1.095 1.672 1.311 1.00 0.00 C ATOM 550 O CYS A 39 -0.017 1.929 1.847 1.00 0.00 O ATOM 551 CB CYS A 39 -2.995 0.854 2.718 1.00 0.00 C ATOM 552 SG CYS A 39 -3.793 -0.549 3.563 1.00 0.00 S ATOM 0 H CYS A 39 -1.171 -0.708 3.315 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.371 0.024 0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.561 1.516 3.467 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.757 1.427 2.189 1.00 0.00 H new ATOM 557 N LYS A 40 -1.623 2.426 0.352 1.00 0.00 N ATOM 558 CA LYS A 40 -0.953 3.626 -0.135 1.00 0.00 C ATOM 559 C LYS A 40 -0.908 4.701 0.946 1.00 0.00 C ATOM 560 O LYS A 40 0.065 5.448 1.052 1.00 0.00 O ATOM 561 CB LYS A 40 -1.666 4.165 -1.377 1.00 0.00 C ATOM 562 CG LYS A 40 -1.146 5.515 -1.839 1.00 0.00 C ATOM 563 CD LYS A 40 -0.017 5.362 -2.845 1.00 0.00 C ATOM 564 CE LYS A 40 0.532 6.713 -3.276 1.00 0.00 C ATOM 565 NZ LYS A 40 1.513 6.584 -4.389 1.00 0.00 N ATOM 0 H LYS A 40 -2.514 2.227 -0.103 1.00 0.00 H new ATOM 0 HA LYS A 40 0.070 3.359 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.557 3.446 -2.189 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.732 4.249 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.959 6.085 -2.287 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.794 6.084 -0.979 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.784 4.766 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.378 4.819 -3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.290 7.356 -3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.010 7.199 -2.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.864 7.527 -4.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.311 5.991 -4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.051 6.144 -5.210 1.00 0.00 H new ATOM 579 N SER A 41 -1.966 4.772 1.748 1.00 0.00 N ATOM 580 CA SER A 41 -2.047 5.758 2.819 1.00 0.00 C ATOM 581 C SER A 41 -1.320 5.265 4.067 1.00 0.00 C ATOM 582 O SER A 41 -1.129 6.014 5.025 1.00 0.00 O ATOM 583 CB SER A 41 -3.510 6.059 3.153 1.00 0.00 C ATOM 584 OG SER A 41 -4.038 7.047 2.286 1.00 0.00 O ATOM 0 H SER A 41 -2.778 4.159 1.676 1.00 0.00 H new ATOM 0 HA SER A 41 -1.564 6.673 2.476 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.100 5.146 3.071 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.588 6.398 4.186 1.00 0.00 H new ATOM 0 HG SER A 41 -4.974 7.220 2.519 1.00 0.00 H new ATOM 590 N CYS A 42 -0.916 3.999 4.047 1.00 0.00 N ATOM 591 CA CYS A 42 -0.210 3.404 5.175 1.00 0.00 C ATOM 592 C CYS A 42 1.295 3.383 4.925 1.00 0.00 C ATOM 593 O CYS A 42 2.078 3.859 5.747 1.00 0.00 O ATOM 594 CB CYS A 42 -0.716 1.983 5.428 1.00 0.00 C ATOM 595 SG CYS A 42 -2.303 1.906 6.320 1.00 0.00 S ATOM 0 H CYS A 42 -1.066 3.366 3.262 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.405 4.014 6.057 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.824 1.472 4.471 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.036 1.437 5.998 1.00 0.00 H new ATOM 600 N ILE A 43 1.692 2.828 3.785 1.00 0.00 N ATOM 601 CA ILE A 43 3.102 2.745 3.426 1.00 0.00 C ATOM 602 C ILE A 43 3.692 4.132 3.195 1.00 0.00 C ATOM 603 O ILE A 43 4.815 4.418 3.610 1.00 0.00 O ATOM 604 CB ILE A 43 3.312 1.893 2.160 1.00 0.00 C ATOM 605 CG1 ILE A 43 4.805 1.721 1.876 1.00 0.00 C ATOM 606 CG2 ILE A 43 2.611 2.531 0.970 1.00 0.00 C ATOM 607 CD1 ILE A 43 5.538 0.943 2.947 1.00 0.00 C ATOM 0 H ILE A 43 1.057 2.429 3.094 1.00 0.00 H new ATOM 0 HA ILE A 43 3.613 2.269 4.263 1.00 0.00 H new ATOM 0 HB ILE A 43 2.878 0.907 2.327 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.929 1.212 0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.263 2.705 1.775 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.769 1.917 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.543 2.606 1.174 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.019 3.527 0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.591 0.860 2.680 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.446 1.462 3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.106 -0.054 3.033 1.00 0.00 H new ATOM 619 N VAL A 44 2.926 4.992 2.530 1.00 0.00 N ATOM 620 CA VAL A 44 3.372 6.351 2.247 1.00 0.00 C ATOM 621 C VAL A 44 3.486 7.171 3.527 1.00 0.00 C ATOM 622 O VAL A 44 4.410 7.969 3.685 1.00 0.00 O ATOM 623 CB VAL A 44 2.412 7.065 1.277 1.00 0.00 C ATOM 624 CG1 VAL A 44 2.821 8.519 1.093 1.00 0.00 C ATOM 625 CG2 VAL A 44 2.370 6.342 -0.061 1.00 0.00 C ATOM 0 H VAL A 44 1.995 4.772 2.178 1.00 0.00 H new ATOM 0 HA VAL A 44 4.355 6.271 1.782 1.00 0.00 H new ATOM 0 HB VAL A 44 1.410 7.046 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.131 9.007 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.794 9.029 2.056 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.831 8.564 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.687 6.861 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.368 6.328 -0.498 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.025 5.319 0.089 1.00 0.00 H new ATOM 635 N ARG A 45 2.541 6.968 4.439 1.00 0.00 N ATOM 636 CA ARG A 45 2.536 7.689 5.707 1.00 0.00 C ATOM 637 C ARG A 45 3.533 7.076 6.685 1.00 0.00 C ATOM 638 O ARG A 45 4.158 7.784 7.475 1.00 0.00 O ATOM 639 CB ARG A 45 1.133 7.678 6.317 1.00 0.00 C ATOM 640 CG ARG A 45 0.263 8.839 5.865 1.00 0.00 C ATOM 641 CD ARG A 45 0.145 8.890 4.350 1.00 0.00 C ATOM 642 NE ARG A 45 -0.252 10.213 3.876 1.00 0.00 N ATOM 643 CZ ARG A 45 -1.510 10.639 3.857 1.00 0.00 C ATOM 644 NH1 ARG A 45 -2.487 9.851 4.283 1.00 0.00 N ATOM 645 NH2 ARG A 45 -1.793 11.857 3.411 1.00 0.00 N ATOM 0 H ARG A 45 1.769 6.311 4.324 1.00 0.00 H new ATOM 0 HA ARG A 45 2.833 8.720 5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.640 6.742 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 45 1.218 7.700 7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.730 8.744 6.305 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.685 9.775 6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.101 8.616 3.903 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.585 8.152 4.018 1.00 0.00 H new ATOM 0 HE ARG A 45 0.476 10.844 3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.274 8.915 4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.452 10.181 4.267 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.044 12.467 3.082 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.759 12.183 3.397 1.00 0.00 H new ATOM 659 N HIS A 46 3.677 5.756 6.627 1.00 0.00 N ATOM 660 CA HIS A 46 4.598 5.047 7.508 1.00 0.00 C ATOM 661 C HIS A 46 6.041 5.457 7.228 1.00 0.00 C ATOM 662 O HIS A 46 6.875 5.487 8.133 1.00 0.00 O ATOM 663 CB HIS A 46 4.442 3.536 7.336 1.00 0.00 C ATOM 664 CG HIS A 46 5.293 2.735 8.273 1.00 0.00 C ATOM 665 ND1 HIS A 46 4.957 2.516 9.592 1.00 0.00 N ATOM 666 CD2 HIS A 46 6.471 2.098 8.075 1.00 0.00 C ATOM 667 CE1 HIS A 46 5.893 1.780 10.166 1.00 0.00 C ATOM 668 NE2 HIS A 46 6.822 1.513 9.266 1.00 0.00 N ATOM 0 H HIS A 46 3.167 5.155 5.979 1.00 0.00 H new ATOM 0 HA HIS A 46 4.356 5.314 8.537 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.397 3.267 7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.694 3.268 6.310 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.030 2.058 7.152 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.897 1.453 11.195 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.664 0.961 9.430 1.00 0.00 H new ATOM 676 N PHE A 47 6.328 5.771 5.969 1.00 0.00 N ATOM 677 CA PHE A 47 7.670 6.178 5.570 1.00 0.00 C ATOM 678 C PHE A 47 7.983 7.585 6.068 1.00 0.00 C ATOM 679 O PHE A 47 9.145 7.944 6.260 1.00 0.00 O ATOM 680 CB PHE A 47 7.811 6.121 4.047 1.00 0.00 C ATOM 681 CG PHE A 47 8.033 4.733 3.517 1.00 0.00 C ATOM 682 CD1 PHE A 47 8.898 3.862 4.160 1.00 0.00 C ATOM 683 CD2 PHE A 47 7.379 4.300 2.375 1.00 0.00 C ATOM 684 CE1 PHE A 47 9.104 2.584 3.676 1.00 0.00 C ATOM 685 CE2 PHE A 47 7.581 3.023 1.886 1.00 0.00 C ATOM 686 CZ PHE A 47 8.446 2.165 2.536 1.00 0.00 C ATOM 0 H PHE A 47 5.649 5.751 5.208 1.00 0.00 H new ATOM 0 HA PHE A 47 8.381 5.486 6.021 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.912 6.536 3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.644 6.755 3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.417 4.186 5.050 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.704 4.968 1.861 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.778 1.914 4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.063 2.697 0.996 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.608 1.168 2.154 1.00 0.00 H new ATOM 696 N TYR A 48 6.938 8.379 6.275 1.00 0.00 N ATOM 697 CA TYR A 48 7.101 9.749 6.748 1.00 0.00 C ATOM 698 C TYR A 48 7.632 9.772 8.179 1.00 0.00 C ATOM 699 O TYR A 48 8.412 10.649 8.549 1.00 0.00 O ATOM 700 CB TYR A 48 5.769 10.497 6.675 1.00 0.00 C ATOM 701 CG TYR A 48 5.547 11.210 5.360 1.00 0.00 C ATOM 702 CD1 TYR A 48 6.550 11.982 4.787 1.00 0.00 C ATOM 703 CD2 TYR A 48 4.333 11.111 4.690 1.00 0.00 C ATOM 704 CE1 TYR A 48 6.351 12.635 3.586 1.00 0.00 C ATOM 705 CE2 TYR A 48 4.126 11.759 3.488 1.00 0.00 C ATOM 706 CZ TYR A 48 5.138 12.520 2.940 1.00 0.00 C ATOM 707 OH TYR A 48 4.935 13.169 1.744 1.00 0.00 O ATOM 0 H TYR A 48 5.969 8.098 6.123 1.00 0.00 H new ATOM 0 HA TYR A 48 7.826 10.246 6.103 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.955 9.790 6.837 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.725 11.225 7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.502 12.073 5.289 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.538 10.517 5.117 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.141 13.232 3.155 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.177 11.670 2.980 1.00 0.00 H new ATOM 0 HH TYR A 48 4.029 12.984 1.421 1.00 0.00 H new ATOM 717 N TYR A 49 7.203 8.801 8.977 1.00 0.00 N ATOM 718 CA TYR A 49 7.632 8.709 10.368 1.00 0.00 C ATOM 719 C TYR A 49 8.796 7.734 10.515 1.00 0.00 C ATOM 720 O TYR A 49 9.764 8.008 11.224 1.00 0.00 O ATOM 721 CB TYR A 49 6.467 8.268 11.255 1.00 0.00 C ATOM 722 CG TYR A 49 5.145 8.897 10.877 1.00 0.00 C ATOM 723 CD1 TYR A 49 4.803 10.165 11.329 1.00 0.00 C ATOM 724 CD2 TYR A 49 4.239 8.224 10.067 1.00 0.00 C ATOM 725 CE1 TYR A 49 3.596 10.744 10.986 1.00 0.00 C ATOM 726 CE2 TYR A 49 3.031 8.795 9.718 1.00 0.00 C ATOM 727 CZ TYR A 49 2.714 10.055 10.181 1.00 0.00 C ATOM 728 OH TYR A 49 1.511 10.628 9.836 1.00 0.00 O ATOM 0 H TYR A 49 6.559 8.066 8.685 1.00 0.00 H new ATOM 0 HA TYR A 49 7.967 9.697 10.685 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.372 7.183 11.202 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.695 8.518 12.291 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.492 10.708 11.959 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.484 7.237 9.704 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.345 11.731 11.347 1.00 0.00 H new ATOM 0 HE2 TYR A 49 2.339 8.258 9.086 1.00 0.00 H new ATOM 0 HH TYR A 49 1.007 10.012 9.264 1.00 0.00 H new ATOM 738 N SER A 50 8.694 6.594 9.838 1.00 0.00 N ATOM 739 CA SER A 50 9.736 5.576 9.895 1.00 0.00 C ATOM 740 C SER A 50 10.052 5.043 8.501 1.00 0.00 C ATOM 741 O SER A 50 9.180 4.508 7.817 1.00 0.00 O ATOM 742 CB SER A 50 9.305 4.425 10.807 1.00 0.00 C ATOM 743 OG SER A 50 10.427 3.691 11.266 1.00 0.00 O ATOM 0 H SER A 50 7.901 6.353 9.244 1.00 0.00 H new ATOM 0 HA SER A 50 10.636 6.036 10.302 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.751 4.820 11.659 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.629 3.762 10.267 1.00 0.00 H new ATOM 0 HG SER A 50 10.125 2.962 11.848 1.00 0.00 H new ATOM 749 N ASN A 51 11.305 5.195 8.086 1.00 0.00 N ATOM 750 CA ASN A 51 11.738 4.730 6.773 1.00 0.00 C ATOM 751 C ASN A 51 12.014 3.230 6.791 1.00 0.00 C ATOM 752 O ASN A 51 13.003 2.764 6.224 1.00 0.00 O ATOM 753 CB ASN A 51 12.991 5.486 6.329 1.00 0.00 C ATOM 754 CG ASN A 51 13.070 5.640 4.822 1.00 0.00 C ATOM 755 OD1 ASN A 51 12.231 5.117 4.089 1.00 0.00 O ATOM 756 ND2 ASN A 51 14.083 6.360 4.353 1.00 0.00 N ATOM 0 H ASN A 51 12.039 5.637 8.640 1.00 0.00 H new ATOM 0 HA ASN A 51 10.934 4.925 6.063 1.00 0.00 H new ATOM 0 HB2 ASN A 51 13.001 6.472 6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 51 13.876 4.958 6.684 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.189 6.498 3.348 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.755 6.775 4.998 1.00 0.00 H new ATOM 763 N ARG A 52 11.134 2.479 7.445 1.00 0.00 N ATOM 764 CA ARG A 52 11.284 1.032 7.537 1.00 0.00 C ATOM 765 C ARG A 52 9.935 0.335 7.384 1.00 0.00 C ATOM 766 O ARG A 52 8.883 0.966 7.486 1.00 0.00 O ATOM 767 CB ARG A 52 11.919 0.648 8.875 1.00 0.00 C ATOM 768 CG ARG A 52 13.428 0.834 8.908 1.00 0.00 C ATOM 769 CD ARG A 52 13.957 0.836 10.334 1.00 0.00 C ATOM 770 NE ARG A 52 13.856 2.155 10.953 1.00 0.00 N ATOM 771 CZ ARG A 52 14.681 2.589 11.899 1.00 0.00 C ATOM 772 NH1 ARG A 52 15.664 1.812 12.332 1.00 0.00 N ATOM 773 NH2 ARG A 52 14.525 3.802 12.413 1.00 0.00 N ATOM 0 H ARG A 52 10.310 2.849 7.919 1.00 0.00 H new ATOM 0 HA ARG A 52 11.936 0.707 6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.470 1.248 9.666 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.685 -0.394 9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.907 0.035 8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.691 1.772 8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.399 0.113 10.929 1.00 0.00 H new ATOM 0 HD3 ARG A 52 14.998 0.514 10.335 1.00 0.00 H new ATOM 0 HE ARG A 52 13.110 2.777 10.641 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.788 0.879 11.939 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.297 2.147 13.059 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.770 4.403 12.082 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.160 4.134 13.139 1.00 0.00 H new ATOM 787 N CYS A 53 9.974 -0.970 7.139 1.00 0.00 N ATOM 788 CA CYS A 53 8.756 -1.754 6.970 1.00 0.00 C ATOM 789 C CYS A 53 8.220 -2.223 8.320 1.00 0.00 C ATOM 790 O CYS A 53 8.933 -2.825 9.123 1.00 0.00 O ATOM 791 CB CYS A 53 9.021 -2.960 6.067 1.00 0.00 C ATOM 792 SG CYS A 53 7.518 -3.862 5.571 1.00 0.00 S ATOM 0 H CYS A 53 10.836 -1.508 7.053 1.00 0.00 H new ATOM 0 HA CYS A 53 8.006 -1.117 6.502 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.541 -2.622 5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 53 9.690 -3.647 6.584 1.00 0.00 H new ATOM 797 N PRO A 54 6.934 -1.942 8.576 1.00 0.00 N ATOM 798 CA PRO A 54 6.273 -2.327 9.827 1.00 0.00 C ATOM 799 C PRO A 54 6.067 -3.834 9.934 1.00 0.00 C ATOM 800 O PRO A 54 5.393 -4.316 10.844 1.00 0.00 O ATOM 801 CB PRO A 54 4.925 -1.606 9.752 1.00 0.00 C ATOM 802 CG PRO A 54 4.674 -1.422 8.295 1.00 0.00 C ATOM 803 CD PRO A 54 6.025 -1.227 7.664 1.00 0.00 C ATOM 0 HA PRO A 54 6.867 -2.059 10.701 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.135 -2.194 10.219 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.959 -0.649 10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.168 -2.290 7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 54 4.031 -0.560 8.115 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.061 -1.640 6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.283 -0.171 7.586 1.00 0.00 H new ATOM 811 N LYS A 55 6.651 -4.574 8.998 1.00 0.00 N ATOM 812 CA LYS A 55 6.533 -6.027 8.987 1.00 0.00 C ATOM 813 C LYS A 55 7.866 -6.684 9.332 1.00 0.00 C ATOM 814 O LYS A 55 8.005 -7.318 10.378 1.00 0.00 O ATOM 815 CB LYS A 55 6.054 -6.510 7.616 1.00 0.00 C ATOM 816 CG LYS A 55 4.545 -6.646 7.512 1.00 0.00 C ATOM 817 CD LYS A 55 4.056 -7.933 8.157 1.00 0.00 C ATOM 818 CE LYS A 55 2.551 -8.096 8.002 1.00 0.00 C ATOM 819 NZ LYS A 55 2.199 -8.837 6.759 1.00 0.00 N ATOM 0 H LYS A 55 7.211 -4.191 8.237 1.00 0.00 H new ATOM 0 HA LYS A 55 5.801 -6.313 9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.401 -5.813 6.853 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.513 -7.475 7.399 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.068 -5.792 7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.248 -6.628 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.564 -8.784 7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.316 -7.933 9.215 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.152 -8.627 8.867 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.079 -7.114 7.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.165 -8.927 6.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.557 -8.318 5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.628 -9.784 6.786 1.00 0.00 H new ATOM 833 N CYS A 56 8.845 -6.526 8.447 1.00 0.00 N ATOM 834 CA CYS A 56 10.167 -7.103 8.658 1.00 0.00 C ATOM 835 C CYS A 56 11.109 -6.085 9.295 1.00 0.00 C ATOM 836 O CYS A 56 12.179 -6.438 9.789 1.00 0.00 O ATOM 837 CB CYS A 56 10.751 -7.592 7.331 1.00 0.00 C ATOM 838 SG CYS A 56 10.578 -6.406 5.959 1.00 0.00 S ATOM 0 H CYS A 56 8.747 -6.003 7.577 1.00 0.00 H new ATOM 0 HA CYS A 56 10.062 -7.950 9.336 1.00 0.00 H new ATOM 0 HB2 CYS A 56 11.808 -7.816 7.472 1.00 0.00 H new ATOM 0 HB3 CYS A 56 10.262 -8.526 7.053 1.00 0.00 H new ATOM 843 N ASN A 57 10.701 -4.820 9.280 1.00 0.00 N ATOM 844 CA ASN A 57 11.508 -3.750 9.856 1.00 0.00 C ATOM 845 C ASN A 57 12.746 -3.484 9.005 1.00 0.00 C ATOM 846 O ASN A 57 13.847 -3.315 9.530 1.00 0.00 O ATOM 847 CB ASN A 57 11.925 -4.110 11.284 1.00 0.00 C ATOM 848 CG ASN A 57 12.162 -2.883 12.144 1.00 0.00 C ATOM 849 OD1 ASN A 57 11.850 -1.762 11.744 1.00 0.00 O ATOM 850 ND2 ASN A 57 12.718 -3.092 13.331 1.00 0.00 N ATOM 0 H ASN A 57 9.817 -4.511 8.876 1.00 0.00 H new ATOM 0 HA ASN A 57 10.903 -2.844 9.878 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.151 -4.727 11.741 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.834 -4.710 11.254 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.903 -2.305 13.953 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.960 -4.039 13.621 1.00 0.00 H new ATOM 857 N ILE A 58 12.557 -3.448 7.691 1.00 0.00 N ATOM 858 CA ILE A 58 13.657 -3.201 6.767 1.00 0.00 C ATOM 859 C ILE A 58 13.584 -1.791 6.189 1.00 0.00 C ATOM 860 O ILE A 58 12.500 -1.283 5.900 1.00 0.00 O ATOM 861 CB ILE A 58 13.662 -4.218 5.611 1.00 0.00 C ATOM 862 CG1 ILE A 58 12.466 -3.978 4.688 1.00 0.00 C ATOM 863 CG2 ILE A 58 13.642 -5.638 6.156 1.00 0.00 C ATOM 864 CD1 ILE A 58 12.428 -4.908 3.495 1.00 0.00 C ATOM 0 H ILE A 58 11.652 -3.587 7.242 1.00 0.00 H new ATOM 0 HA ILE A 58 14.579 -3.310 7.339 1.00 0.00 H new ATOM 0 HB ILE A 58 14.576 -4.085 5.032 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.546 -4.096 5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.491 -2.947 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 58 13.646 -6.346 5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 58 14.523 -5.802 6.777 1.00 0.00 H new ATOM 0 HG23 ILE A 58 12.743 -5.785 6.755 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.554 -4.681 2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 58 13.331 -4.773 2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 58 12.371 -5.940 3.840 1.00 0.00 H new ATOM 876 N VAL A 59 14.744 -1.165 6.022 1.00 0.00 N ATOM 877 CA VAL A 59 14.812 0.185 5.475 1.00 0.00 C ATOM 878 C VAL A 59 14.445 0.198 3.995 1.00 0.00 C ATOM 879 O VAL A 59 15.275 -0.098 3.136 1.00 0.00 O ATOM 880 CB VAL A 59 16.218 0.791 5.649 1.00 0.00 C ATOM 881 CG1 VAL A 59 16.275 2.187 5.049 1.00 0.00 C ATOM 882 CG2 VAL A 59 16.608 0.816 7.119 1.00 0.00 C ATOM 0 H VAL A 59 15.650 -1.571 6.258 1.00 0.00 H new ATOM 0 HA VAL A 59 14.093 0.788 6.030 1.00 0.00 H new ATOM 0 HB VAL A 59 16.934 0.164 5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 59 17.275 2.599 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 59 16.041 2.136 3.986 1.00 0.00 H new ATOM 0 HG13 VAL A 59 15.549 2.828 5.550 1.00 0.00 H new ATOM 0 HG21 VAL A 59 17.604 1.247 7.224 1.00 0.00 H new ATOM 0 HG22 VAL A 59 15.891 1.419 7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 59 16.609 -0.201 7.512 1.00 0.00 H new ATOM 892 N VAL A 60 13.194 0.543 3.705 1.00 0.00 N ATOM 893 CA VAL A 60 12.716 0.597 2.329 1.00 0.00 C ATOM 894 C VAL A 60 12.711 2.028 1.804 1.00 0.00 C ATOM 895 O VAL A 60 12.111 2.920 2.406 1.00 0.00 O ATOM 896 CB VAL A 60 11.297 0.011 2.205 1.00 0.00 C ATOM 897 CG1 VAL A 60 10.819 0.070 0.762 1.00 0.00 C ATOM 898 CG2 VAL A 60 11.262 -1.416 2.729 1.00 0.00 C ATOM 0 H VAL A 60 12.494 0.789 4.405 1.00 0.00 H new ATOM 0 HA VAL A 60 13.403 -0.003 1.732 1.00 0.00 H new ATOM 0 HB VAL A 60 10.620 0.613 2.812 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.815 -0.348 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.804 1.107 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 60 11.496 -0.506 0.131 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.252 -1.814 2.634 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.951 -2.033 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.558 -1.426 3.778 1.00 0.00 H new ATOM 908 N HIS A 61 13.383 2.242 0.677 1.00 0.00 N ATOM 909 CA HIS A 61 13.455 3.566 0.069 1.00 0.00 C ATOM 910 C HIS A 61 12.363 3.742 -0.981 1.00 0.00 C ATOM 911 O HIS A 61 11.993 2.791 -1.670 1.00 0.00 O ATOM 912 CB HIS A 61 14.829 3.785 -0.565 1.00 0.00 C ATOM 913 CG HIS A 61 15.102 5.213 -0.926 1.00 0.00 C ATOM 914 ND1 HIS A 61 15.609 6.131 -0.032 1.00 0.00 N ATOM 915 CD2 HIS A 61 14.936 5.877 -2.093 1.00 0.00 C ATOM 916 CE1 HIS A 61 15.742 7.300 -0.633 1.00 0.00 C ATOM 917 NE2 HIS A 61 15.341 7.173 -1.885 1.00 0.00 N ATOM 0 H HIS A 61 13.885 1.516 0.167 1.00 0.00 H new ATOM 0 HA HIS A 61 13.303 4.308 0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 61 15.598 3.440 0.126 1.00 0.00 H new ATOM 0 HB3 HIS A 61 14.908 3.171 -1.462 1.00 0.00 H new ATOM 0 HD2 HIS A 61 14.556 5.465 -3.016 1.00 0.00 H new ATOM 0 HE1 HIS A 61 16.115 8.206 -0.178 1.00 0.00 H new ATOM 0 HE2 HIS A 61 15.333 7.916 -2.584 1.00 0.00 H new ATOM 925 N GLN A 62 11.851 4.963 -1.097 1.00 0.00 N ATOM 926 CA GLN A 62 10.800 5.262 -2.063 1.00 0.00 C ATOM 927 C GLN A 62 11.340 6.110 -3.210 1.00 0.00 C ATOM 928 O GLN A 62 12.231 6.938 -3.018 1.00 0.00 O ATOM 929 CB GLN A 62 9.641 5.988 -1.378 1.00 0.00 C ATOM 930 CG GLN A 62 8.309 5.813 -2.089 1.00 0.00 C ATOM 931 CD GLN A 62 7.713 4.435 -1.883 1.00 0.00 C ATOM 932 OE1 GLN A 62 8.292 3.428 -2.293 1.00 0.00 O ATOM 933 NE2 GLN A 62 6.551 4.381 -1.244 1.00 0.00 N ATOM 0 H GLN A 62 12.147 5.761 -0.535 1.00 0.00 H new ATOM 0 HA GLN A 62 10.438 4.319 -2.472 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.548 5.623 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 62 9.874 7.051 -1.317 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.608 6.565 -1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.445 5.990 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.106 5.240 -0.921 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.103 3.480 -1.076 1.00 0.00 H new ATOM 942 N THR A 63 10.795 5.898 -4.403 1.00 0.00 N ATOM 943 CA THR A 63 11.223 6.641 -5.582 1.00 0.00 C ATOM 944 C THR A 63 10.031 7.252 -6.309 1.00 0.00 C ATOM 945 O THR A 63 9.180 6.534 -6.836 1.00 0.00 O ATOM 946 CB THR A 63 12.002 5.742 -6.561 1.00 0.00 C ATOM 947 OG1 THR A 63 11.273 4.533 -6.802 1.00 0.00 O ATOM 948 CG2 THR A 63 13.380 5.409 -6.009 1.00 0.00 C ATOM 0 H THR A 63 10.056 5.218 -4.579 1.00 0.00 H new ATOM 0 HA THR A 63 11.879 7.438 -5.232 1.00 0.00 H new ATOM 0 HB THR A 63 12.125 6.284 -7.499 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.318 4.738 -6.885 1.00 0.00 H new ATOM 0 HG21 THR A 63 13.912 4.773 -6.717 1.00 0.00 H new ATOM 0 HG22 THR A 63 13.942 6.330 -5.855 1.00 0.00 H new ATOM 0 HG23 THR A 63 13.275 4.885 -5.059 1.00 0.00 H new ATOM 956 N GLN A 64 9.976 8.579 -6.335 1.00 0.00 N ATOM 957 CA GLN A 64 8.887 9.285 -6.999 1.00 0.00 C ATOM 958 C GLN A 64 9.205 9.515 -8.473 1.00 0.00 C ATOM 959 O GLN A 64 10.202 10.144 -8.828 1.00 0.00 O ATOM 960 CB GLN A 64 8.623 10.624 -6.308 1.00 0.00 C ATOM 961 CG GLN A 64 8.268 10.490 -4.836 1.00 0.00 C ATOM 962 CD GLN A 64 9.451 10.070 -3.987 1.00 0.00 C ATOM 963 OE1 GLN A 64 9.638 8.887 -3.703 1.00 0.00 O ATOM 964 NE2 GLN A 64 10.258 11.041 -3.575 1.00 0.00 N ATOM 0 H GLN A 64 10.672 9.187 -5.904 1.00 0.00 H new ATOM 0 HA GLN A 64 7.992 8.666 -6.931 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.508 11.253 -6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.810 11.136 -6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.883 11.442 -4.471 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.467 9.759 -4.724 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.065 12.009 -3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.070 10.819 -3.000 1.00 0.00 H new ATOM 973 N PRO A 65 8.338 8.993 -9.354 1.00 0.00 N ATOM 974 CA PRO A 65 8.506 9.128 -10.804 1.00 0.00 C ATOM 975 C PRO A 65 8.282 10.558 -11.283 1.00 0.00 C ATOM 976 O PRO A 65 8.459 10.863 -12.463 1.00 0.00 O ATOM 977 CB PRO A 65 7.431 8.199 -11.374 1.00 0.00 C ATOM 978 CG PRO A 65 6.391 8.125 -10.309 1.00 0.00 C ATOM 979 CD PRO A 65 7.128 8.231 -9.003 1.00 0.00 C ATOM 0 HA PRO A 65 9.518 8.877 -11.122 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.019 8.593 -12.303 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.838 7.213 -11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.666 8.932 -10.415 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.836 7.189 -10.369 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.534 8.746 -8.247 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.375 7.249 -8.600 1.00 0.00 H new ATOM 987 N LEU A 66 7.893 11.431 -10.361 1.00 0.00 N ATOM 988 CA LEU A 66 7.646 12.831 -10.689 1.00 0.00 C ATOM 989 C LEU A 66 8.636 13.742 -9.971 1.00 0.00 C ATOM 990 O LEU A 66 9.330 14.541 -10.601 1.00 0.00 O ATOM 991 CB LEU A 66 6.214 13.218 -10.313 1.00 0.00 C ATOM 992 CG LEU A 66 5.127 12.820 -11.311 1.00 0.00 C ATOM 993 CD1 LEU A 66 5.344 13.519 -12.644 1.00 0.00 C ATOM 994 CD2 LEU A 66 5.100 11.310 -11.497 1.00 0.00 C ATOM 0 H LEU A 66 7.742 11.195 -9.380 1.00 0.00 H new ATOM 0 HA LEU A 66 7.780 12.956 -11.764 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.978 12.766 -9.350 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.175 14.299 -10.176 1.00 0.00 H new ATOM 0 HG LEU A 66 4.162 13.134 -10.912 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.560 13.223 -13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.312 14.599 -12.498 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.316 13.237 -13.049 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.320 11.045 -12.211 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.066 10.972 -11.873 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.895 10.829 -10.541 1.00 0.00 H new ATOM 1006 N SER A 67 8.699 13.615 -8.650 1.00 0.00 N ATOM 1007 CA SER A 67 9.604 14.428 -7.846 1.00 0.00 C ATOM 1008 C SER A 67 9.159 15.887 -7.835 1.00 0.00 C ATOM 1009 O SER A 67 9.980 16.799 -7.931 1.00 0.00 O ATOM 1010 CB SER A 67 11.032 14.322 -8.383 1.00 0.00 C ATOM 1011 OG SER A 67 11.961 14.897 -7.481 1.00 0.00 O ATOM 0 H SER A 67 8.134 12.957 -8.113 1.00 0.00 H new ATOM 0 HA SER A 67 9.580 14.051 -6.823 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.284 13.275 -8.551 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.099 14.824 -9.348 1.00 0.00 H new ATOM 0 HG SER A 67 11.691 15.816 -7.275 1.00 0.00 H new ATOM 1017 N GLY A 68 7.852 16.100 -7.718 1.00 0.00 N ATOM 1018 CA GLY A 68 7.319 17.450 -7.697 1.00 0.00 C ATOM 1019 C GLY A 68 5.813 17.482 -7.869 1.00 0.00 C ATOM 1020 O GLY A 68 5.297 17.750 -8.954 1.00 0.00 O ATOM 0 H GLY A 68 7.153 15.362 -7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.584 17.927 -6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.785 18.034 -8.491 1.00 0.00 H new ATOM 1024 N PRO A 69 5.083 17.201 -6.780 1.00 0.00 N ATOM 1025 CA PRO A 69 3.617 17.191 -6.791 1.00 0.00 C ATOM 1026 C PRO A 69 3.029 18.589 -6.945 1.00 0.00 C ATOM 1027 O PRO A 69 3.646 19.579 -6.552 1.00 0.00 O ATOM 1028 CB PRO A 69 3.256 16.607 -5.422 1.00 0.00 C ATOM 1029 CG PRO A 69 4.427 16.922 -4.556 1.00 0.00 C ATOM 1030 CD PRO A 69 5.632 16.872 -5.454 1.00 0.00 C ATOM 0 HA PRO A 69 3.220 16.621 -7.631 1.00 0.00 H new ATOM 0 HB2 PRO A 69 2.342 17.053 -5.030 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.086 15.532 -5.482 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.321 17.906 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 69 4.516 16.201 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.393 17.588 -5.145 1.00 0.00 H new ATOM 0 HD3 PRO A 69 6.099 15.887 -5.445 1.00 0.00 H new ATOM 1038 N SER A 70 1.832 18.663 -7.518 1.00 0.00 N ATOM 1039 CA SER A 70 1.162 19.941 -7.728 1.00 0.00 C ATOM 1040 C SER A 70 -0.279 19.887 -7.230 1.00 0.00 C ATOM 1041 O SER A 70 -1.192 20.392 -7.883 1.00 0.00 O ATOM 1042 CB SER A 70 1.188 20.318 -9.210 1.00 0.00 C ATOM 1043 OG SER A 70 2.516 20.353 -9.704 1.00 0.00 O ATOM 0 H SER A 70 1.306 17.853 -7.845 1.00 0.00 H new ATOM 0 HA SER A 70 1.697 20.701 -7.158 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.603 19.598 -9.782 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.719 21.292 -9.349 1.00 0.00 H new ATOM 0 HG SER A 70 2.505 20.595 -10.654 1.00 0.00 H new ATOM 1049 N SER A 71 -0.475 19.269 -6.070 1.00 0.00 N ATOM 1050 CA SER A 71 -1.805 19.144 -5.485 1.00 0.00 C ATOM 1051 C SER A 71 -2.579 20.453 -5.612 1.00 0.00 C ATOM 1052 O SER A 71 -1.990 21.527 -5.726 1.00 0.00 O ATOM 1053 CB SER A 71 -1.703 18.739 -4.014 1.00 0.00 C ATOM 1054 OG SER A 71 -1.278 19.829 -3.213 1.00 0.00 O ATOM 0 H SER A 71 0.270 18.847 -5.516 1.00 0.00 H new ATOM 0 HA SER A 71 -2.343 18.369 -6.030 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.672 18.382 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.002 17.911 -3.909 1.00 0.00 H new ATOM 0 HG SER A 71 -1.222 19.545 -2.277 1.00 0.00 H new ATOM 1060 N GLY A 72 -3.905 20.354 -5.591 1.00 0.00 N ATOM 1061 CA GLY A 72 -4.739 21.536 -5.704 1.00 0.00 C ATOM 1062 C GLY A 72 -5.306 21.976 -4.369 1.00 0.00 C ATOM 1063 O GLY A 72 -6.430 21.600 -4.042 1.00 0.00 O ATOM 0 H GLY A 72 -4.416 19.476 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.154 22.350 -6.133 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.558 21.334 -6.394 1.00 0.00 H new TER 1067 GLY A 72 HETATM 1068 ZN ZN A 201 -3.567 0.030 5.804 1.00 0.00 ZN HETATM 1069 ZN ZN A 401 8.449 -6.010 5.176 1.00 0.00 ZN