USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 589 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 Set 1.1: A 4 THR OG1 : rot -63:sc= 0.635! USER MOD Set 1.2: A 7 THR OG1 : rot 130:sc= 0.928 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -130:sc= 0 USER MOD Single : A 15 SER OG : rot 90:sc= 0.786 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00146 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= -0.0344 (180deg=-0.0344) USER MOD Single : A 35 SER OG : rot 160:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -2.21 K(o=-2.2,f=-4.3!) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.305 F(o=-0.93,f=-0.3) USER MOD Single : A 53 THR OG1 : rot -90:sc= 1.67 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N TYR A 3 -15.111 -15.853 -9.515 1.00 0.00 N ATOM 38 CA TYR A 3 -15.264 -14.506 -8.978 1.00 0.00 C ATOM 39 C TYR A 3 -16.072 -14.558 -7.696 1.00 0.00 C ATOM 40 O TYR A 3 -17.301 -14.482 -7.729 1.00 0.00 O ATOM 41 CB TYR A 3 -15.988 -13.618 -9.985 1.00 0.00 C ATOM 42 CG TYR A 3 -15.175 -13.529 -11.248 1.00 0.00 C ATOM 43 CD1 TYR A 3 -14.058 -12.685 -11.302 1.00 0.00 C ATOM 44 CD2 TYR A 3 -15.532 -14.292 -12.365 1.00 0.00 C ATOM 45 CE1 TYR A 3 -13.306 -12.607 -12.470 1.00 0.00 C ATOM 46 CE2 TYR A 3 -14.774 -14.212 -13.536 1.00 0.00 C ATOM 47 CZ TYR A 3 -13.660 -13.367 -13.589 1.00 0.00 C ATOM 48 OH TYR A 3 -12.910 -13.287 -14.743 1.00 0.00 O ATOM 0 HA TYR A 3 -14.275 -14.094 -8.778 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -16.975 -14.026 -10.203 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -16.140 -12.623 -9.566 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -13.782 -12.097 -10.440 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -16.393 -14.943 -12.322 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.445 -11.956 -12.513 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -15.047 -14.801 -14.399 1.00 0.00 H new ATOM 0 HH TYR A 3 -13.292 -13.880 -15.423 1.00 0.00 H new ATOM 58 N THR A 4 -15.384 -14.699 -6.562 1.00 0.00 N ATOM 59 CA THR A 4 -16.062 -14.776 -5.267 1.00 0.00 C ATOM 60 C THR A 4 -15.546 -13.682 -4.326 1.00 0.00 C ATOM 61 O THR A 4 -14.415 -13.218 -4.476 1.00 0.00 O ATOM 62 CB THR A 4 -15.827 -16.153 -4.631 1.00 0.00 C ATOM 63 OG1 THR A 4 -14.674 -16.103 -3.804 1.00 0.00 O ATOM 64 CG2 THR A 4 -15.628 -17.201 -5.727 1.00 0.00 C ATOM 0 H THR A 4 -14.367 -14.762 -6.513 1.00 0.00 H new ATOM 0 HA THR A 4 -17.130 -14.630 -5.428 1.00 0.00 H new ATOM 0 HB THR A 4 -16.694 -16.424 -4.028 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.887 -15.898 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.461 -18.177 -5.271 1.00 0.00 H new ATOM 0 HG22 THR A 4 -16.516 -17.242 -6.357 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.764 -16.932 -6.335 1.00 0.00 H new ATOM 72 N PRO A 5 -16.334 -13.269 -3.356 1.00 0.00 N ATOM 73 CA PRO A 5 -15.911 -12.215 -2.384 1.00 0.00 C ATOM 74 C PRO A 5 -14.553 -12.509 -1.745 1.00 0.00 C ATOM 75 O PRO A 5 -13.776 -11.594 -1.485 1.00 0.00 O ATOM 76 CB PRO A 5 -17.017 -12.223 -1.316 1.00 0.00 C ATOM 77 CG PRO A 5 -18.223 -12.784 -1.998 1.00 0.00 C ATOM 78 CD PRO A 5 -17.713 -13.736 -3.084 1.00 0.00 C ATOM 0 HA PRO A 5 -15.789 -11.251 -2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -16.731 -12.833 -0.459 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -17.209 -11.217 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -18.858 -13.313 -1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -18.826 -11.988 -2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -17.723 -14.771 -2.743 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -18.334 -13.689 -3.979 1.00 0.00 H new ATOM 86 N ASP A 6 -14.279 -13.788 -1.478 1.00 0.00 N ATOM 87 CA ASP A 6 -13.017 -14.185 -0.851 1.00 0.00 C ATOM 88 C ASP A 6 -12.393 -15.345 -1.607 1.00 0.00 C ATOM 89 O ASP A 6 -12.775 -16.500 -1.415 1.00 0.00 O ATOM 90 CB ASP A 6 -13.266 -14.606 0.597 1.00 0.00 C ATOM 91 CG ASP A 6 -11.951 -15.003 1.260 1.00 0.00 C ATOM 92 OD1 ASP A 6 -11.305 -15.907 0.754 1.00 0.00 O ATOM 93 OD2 ASP A 6 -11.609 -14.398 2.263 1.00 0.00 O ATOM 0 H ASP A 6 -14.910 -14.562 -1.685 1.00 0.00 H new ATOM 0 HA ASP A 6 -12.337 -13.334 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -13.727 -13.787 1.148 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -13.964 -15.443 0.626 1.00 0.00 H new ATOM 98 N THR A 7 -11.433 -15.038 -2.473 1.00 0.00 N ATOM 99 CA THR A 7 -10.763 -16.076 -3.255 1.00 0.00 C ATOM 100 C THR A 7 -9.256 -15.816 -3.275 1.00 0.00 C ATOM 101 O THR A 7 -8.816 -14.712 -3.592 1.00 0.00 O ATOM 102 CB THR A 7 -11.325 -16.073 -4.692 1.00 0.00 C ATOM 103 OG1 THR A 7 -12.609 -15.470 -4.687 1.00 0.00 O ATOM 104 CG2 THR A 7 -11.463 -17.507 -5.214 1.00 0.00 C ATOM 0 H THR A 7 -11.103 -14.090 -2.652 1.00 0.00 H new ATOM 0 HA THR A 7 -10.943 -17.051 -2.802 1.00 0.00 H new ATOM 0 HB THR A 7 -10.642 -15.518 -5.335 1.00 0.00 H new ATOM 0 HG1 THR A 7 -12.651 -14.784 -5.386 1.00 0.00 H new ATOM 0 HG21 THR A 7 -11.861 -17.488 -6.229 1.00 0.00 H new ATOM 0 HG22 THR A 7 -10.485 -17.989 -5.216 1.00 0.00 H new ATOM 0 HG23 THR A 7 -12.141 -18.065 -4.569 1.00 0.00 H new ATOM 112 N ALA A 8 -8.475 -16.842 -2.955 1.00 0.00 N ATOM 113 CA ALA A 8 -7.019 -16.715 -2.956 1.00 0.00 C ATOM 114 C ALA A 8 -6.484 -17.037 -4.341 1.00 0.00 C ATOM 115 O ALA A 8 -6.400 -18.201 -4.731 1.00 0.00 O ATOM 116 CB ALA A 8 -6.409 -17.681 -1.939 1.00 0.00 C ATOM 0 H ALA A 8 -8.821 -17.765 -2.693 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.750 -15.694 -2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.324 -17.580 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.788 -17.449 -0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.680 -18.704 -2.201 1.00 0.00 H new ATOM 122 N TRP A 9 -6.141 -15.995 -5.098 1.00 0.00 N ATOM 123 CA TRP A 9 -5.630 -16.172 -6.461 1.00 0.00 C ATOM 124 C TRP A 9 -4.126 -15.932 -6.492 1.00 0.00 C ATOM 125 O TRP A 9 -3.608 -15.078 -5.773 1.00 0.00 O ATOM 126 CB TRP A 9 -6.331 -15.188 -7.417 1.00 0.00 C ATOM 127 CG TRP A 9 -7.683 -15.708 -7.816 1.00 0.00 C ATOM 128 CD1 TRP A 9 -8.397 -16.644 -7.148 1.00 0.00 C ATOM 129 CD2 TRP A 9 -8.490 -15.343 -8.976 1.00 0.00 C ATOM 130 NE1 TRP A 9 -9.584 -16.866 -7.810 1.00 0.00 N ATOM 131 CE2 TRP A 9 -9.690 -16.091 -8.944 1.00 0.00 C ATOM 132 CE3 TRP A 9 -8.300 -14.443 -10.040 1.00 0.00 C ATOM 133 CZ2 TRP A 9 -10.666 -15.954 -9.927 1.00 0.00 C ATOM 134 CZ3 TRP A 9 -9.281 -14.303 -11.036 1.00 0.00 C ATOM 135 CH2 TRP A 9 -10.463 -15.057 -10.979 1.00 0.00 C ATOM 0 H TRP A 9 -6.206 -15.023 -4.794 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.835 -17.193 -6.782 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.437 -14.217 -6.934 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.717 -15.036 -8.305 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -8.085 -17.138 -6.240 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.298 -17.524 -7.498 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.395 -13.856 -10.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -11.574 -16.537 -9.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -9.124 -13.611 -11.850 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.214 -14.944 -11.747 1.00 0.00 H new ATOM 146 N LYS A 10 -3.428 -16.696 -7.330 1.00 0.00 N ATOM 147 CA LYS A 10 -1.977 -16.567 -7.455 1.00 0.00 C ATOM 148 C LYS A 10 -1.627 -15.754 -8.692 1.00 0.00 C ATOM 149 O LYS A 10 -2.152 -16.005 -9.769 1.00 0.00 O ATOM 150 CB LYS A 10 -1.340 -17.957 -7.562 1.00 0.00 C ATOM 151 CG LYS A 10 0.135 -17.883 -7.159 1.00 0.00 C ATOM 152 CD LYS A 10 0.742 -19.284 -7.158 1.00 0.00 C ATOM 153 CE LYS A 10 2.198 -19.193 -6.711 1.00 0.00 C ATOM 154 NZ LYS A 10 2.800 -20.554 -6.700 1.00 0.00 N ATOM 0 H LYS A 10 -3.842 -17.409 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.593 -16.057 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.868 -18.660 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.430 -18.331 -8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.679 -17.242 -7.852 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.229 -17.435 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.182 -19.937 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.680 -19.722 -8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.756 -18.542 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.257 -18.750 -5.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.792 -20.492 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.273 -21.162 -6.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.756 -20.961 -7.656 1.00 0.00 H new ATOM 168 N ILE A 11 -0.743 -14.780 -8.532 1.00 0.00 N ATOM 169 CA ILE A 11 -0.344 -13.937 -9.653 1.00 0.00 C ATOM 170 C ILE A 11 0.727 -14.637 -10.481 1.00 0.00 C ATOM 171 O ILE A 11 1.802 -14.963 -9.974 1.00 0.00 O ATOM 172 CB ILE A 11 0.205 -12.607 -9.129 1.00 0.00 C ATOM 173 CG1 ILE A 11 -0.766 -12.024 -8.108 1.00 0.00 C ATOM 174 CG2 ILE A 11 0.348 -11.615 -10.287 1.00 0.00 C ATOM 175 CD1 ILE A 11 -0.157 -10.773 -7.477 1.00 0.00 C ATOM 0 H ILE A 11 -0.291 -14.554 -7.646 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.215 -13.750 -10.281 1.00 0.00 H new ATOM 0 HB ILE A 11 1.177 -12.781 -8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.712 -11.777 -8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.985 -12.762 -7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.739 -10.670 -9.910 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.034 -12.021 -11.031 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.627 -11.448 -10.745 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.853 -10.358 -6.748 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.777 -11.034 -6.980 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.040 -10.033 -8.253 1.00 0.00 H new ATOM 187 N THR A 12 0.433 -14.862 -11.761 1.00 0.00 N ATOM 188 CA THR A 12 1.383 -15.521 -12.660 1.00 0.00 C ATOM 189 C THR A 12 2.064 -14.494 -13.558 1.00 0.00 C ATOM 190 O THR A 12 3.266 -14.576 -13.811 1.00 0.00 O ATOM 191 CB THR A 12 0.653 -16.550 -13.525 1.00 0.00 C ATOM 192 OG1 THR A 12 0.061 -17.533 -12.688 1.00 0.00 O ATOM 193 CG2 THR A 12 1.647 -17.219 -14.476 1.00 0.00 C ATOM 0 H THR A 12 -0.450 -14.600 -12.198 1.00 0.00 H new ATOM 0 HA THR A 12 2.140 -16.023 -12.058 1.00 0.00 H new ATOM 0 HB THR A 12 -0.122 -16.051 -14.107 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.301 -18.426 -13.012 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.125 -17.952 -15.091 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.101 -16.464 -15.118 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.424 -17.719 -13.898 1.00 0.00 H new ATOM 201 N GLY A 13 1.286 -13.526 -14.034 1.00 0.00 N ATOM 202 CA GLY A 13 1.822 -12.486 -14.901 1.00 0.00 C ATOM 203 C GLY A 13 0.715 -11.786 -15.676 1.00 0.00 C ATOM 204 O GLY A 13 -0.452 -12.169 -15.602 1.00 0.00 O ATOM 0 H GLY A 13 0.289 -13.442 -13.835 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.367 -11.756 -14.303 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.536 -12.924 -15.598 1.00 0.00 H new ATOM 208 N PHE A 14 1.087 -10.753 -16.427 1.00 0.00 N ATOM 209 CA PHE A 14 0.120 -10.002 -17.226 1.00 0.00 C ATOM 210 C PHE A 14 0.116 -10.517 -18.668 1.00 0.00 C ATOM 211 O PHE A 14 1.161 -10.880 -19.210 1.00 0.00 O ATOM 212 CB PHE A 14 0.473 -8.509 -17.209 1.00 0.00 C ATOM 213 CG PHE A 14 1.966 -8.344 -17.130 1.00 0.00 C ATOM 214 CD1 PHE A 14 2.593 -8.274 -15.882 1.00 0.00 C ATOM 215 CD2 PHE A 14 2.719 -8.251 -18.301 1.00 0.00 C ATOM 216 CE1 PHE A 14 3.979 -8.108 -15.806 1.00 0.00 C ATOM 217 CE2 PHE A 14 4.107 -8.087 -18.228 1.00 0.00 C ATOM 218 CZ PHE A 14 4.737 -8.014 -16.979 1.00 0.00 C ATOM 0 H PHE A 14 2.047 -10.417 -16.500 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.873 -10.139 -16.797 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.091 -8.024 -18.107 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.002 -8.022 -16.357 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.007 -8.348 -14.978 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.231 -8.306 -19.263 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.465 -8.052 -14.843 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.692 -8.017 -19.133 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.808 -7.885 -16.921 1.00 0.00 H new ATOM 228 N SER A 15 -1.064 -10.541 -19.281 1.00 0.00 N ATOM 229 CA SER A 15 -1.195 -11.007 -20.658 1.00 0.00 C ATOM 230 C SER A 15 -0.602 -9.990 -21.630 1.00 0.00 C ATOM 231 O SER A 15 -0.318 -8.857 -21.256 1.00 0.00 O ATOM 232 CB SER A 15 -2.672 -11.243 -20.987 1.00 0.00 C ATOM 233 OG SER A 15 -3.045 -12.538 -20.539 1.00 0.00 O ATOM 0 H SER A 15 -1.939 -10.245 -18.849 1.00 0.00 H new ATOM 0 HA SER A 15 -0.647 -11.944 -20.762 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.291 -10.486 -20.505 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.837 -11.154 -22.061 1.00 0.00 H new ATOM 0 HG SER A 15 -3.373 -12.483 -19.617 1.00 0.00 H new ATOM 239 N ARG A 16 -0.417 -10.406 -22.876 1.00 0.00 N ATOM 240 CA ARG A 16 0.141 -9.520 -23.889 1.00 0.00 C ATOM 241 C ARG A 16 -0.827 -8.376 -24.185 1.00 0.00 C ATOM 242 O ARG A 16 -0.412 -7.233 -24.379 1.00 0.00 O ATOM 243 CB ARG A 16 0.420 -10.305 -25.169 1.00 0.00 C ATOM 244 CG ARG A 16 1.608 -11.238 -24.940 1.00 0.00 C ATOM 245 CD ARG A 16 1.868 -12.052 -26.207 1.00 0.00 C ATOM 246 NE ARG A 16 3.000 -12.949 -26.007 1.00 0.00 N ATOM 247 CZ ARG A 16 3.596 -13.540 -27.036 1.00 0.00 C ATOM 248 NH1 ARG A 16 3.171 -13.322 -28.250 1.00 0.00 N ATOM 249 NH2 ARG A 16 4.606 -14.341 -26.832 1.00 0.00 N ATOM 0 H ARG A 16 -0.643 -11.344 -23.208 1.00 0.00 H new ATOM 0 HA ARG A 16 1.075 -9.102 -23.512 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.460 -10.881 -25.455 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.633 -9.620 -25.990 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.494 -10.659 -24.679 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.404 -11.905 -24.102 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.980 -12.628 -26.466 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.069 -11.382 -27.043 1.00 0.00 H new ATOM 0 HE ARG A 16 3.340 -13.125 -25.061 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.381 -12.697 -28.409 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.629 -13.776 -29.040 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.937 -14.513 -25.883 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.064 -14.795 -27.622 1.00 0.00 H new ATOM 263 N GLU A 17 -2.117 -8.695 -24.216 1.00 0.00 N ATOM 264 CA GLU A 17 -3.141 -7.694 -24.484 1.00 0.00 C ATOM 265 C GLU A 17 -3.186 -6.657 -23.374 1.00 0.00 C ATOM 266 O GLU A 17 -3.746 -5.573 -23.546 1.00 0.00 O ATOM 267 CB GLU A 17 -4.507 -8.367 -24.596 1.00 0.00 C ATOM 268 CG GLU A 17 -4.565 -9.197 -25.878 1.00 0.00 C ATOM 269 CD GLU A 17 -5.883 -9.960 -25.951 1.00 0.00 C ATOM 270 OE1 GLU A 17 -6.671 -9.832 -25.028 1.00 0.00 O ATOM 271 OE2 GLU A 17 -6.084 -10.663 -26.927 1.00 0.00 O ATOM 0 H GLU A 17 -2.476 -9.637 -24.059 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.894 -7.197 -25.422 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.682 -9.005 -23.729 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.295 -7.614 -24.602 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.465 -8.546 -26.746 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.729 -9.896 -25.905 1.00 0.00 H new ATOM 278 N ILE A 18 -2.604 -6.997 -22.229 1.00 0.00 N ATOM 279 CA ILE A 18 -2.595 -6.089 -21.088 1.00 0.00 C ATOM 280 C ILE A 18 -2.311 -4.663 -21.546 1.00 0.00 C ATOM 281 O ILE A 18 -1.570 -4.448 -22.505 1.00 0.00 O ATOM 282 CB ILE A 18 -1.527 -6.525 -20.079 1.00 0.00 C ATOM 283 CG1 ILE A 18 -1.670 -5.710 -18.786 1.00 0.00 C ATOM 284 CG2 ILE A 18 -0.131 -6.295 -20.674 1.00 0.00 C ATOM 285 CD1 ILE A 18 -2.992 -6.042 -18.076 1.00 0.00 C ATOM 0 H ILE A 18 -2.135 -7.888 -22.067 1.00 0.00 H new ATOM 0 HA ILE A 18 -3.576 -6.121 -20.613 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.658 -7.584 -19.856 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.832 -5.922 -18.122 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.633 -4.645 -19.016 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.627 -6.606 -19.955 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.024 -6.879 -21.588 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.003 -5.237 -20.902 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.072 -5.453 -17.162 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.828 -5.806 -18.734 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.015 -7.103 -17.827 1.00 0.00 H new ATOM 297 N SER A 19 -2.909 -3.689 -20.864 1.00 0.00 N ATOM 298 CA SER A 19 -2.713 -2.294 -21.233 1.00 0.00 C ATOM 299 C SER A 19 -1.398 -1.760 -20.645 1.00 0.00 C ATOM 300 O SER A 19 -0.995 -2.182 -19.560 1.00 0.00 O ATOM 301 CB SER A 19 -3.879 -1.447 -20.725 1.00 0.00 C ATOM 302 OG SER A 19 -4.066 -1.685 -19.336 1.00 0.00 O ATOM 0 H SER A 19 -3.524 -3.839 -20.064 1.00 0.00 H new ATOM 0 HA SER A 19 -2.666 -2.231 -22.320 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.678 -0.390 -20.900 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.788 -1.694 -21.273 1.00 0.00 H new ATOM 0 HG SER A 19 -4.812 -1.141 -19.008 1.00 0.00 H new ATOM 308 N PRO A 20 -0.729 -0.839 -21.314 1.00 0.00 N ATOM 309 CA PRO A 20 0.548 -0.258 -20.795 1.00 0.00 C ATOM 310 C PRO A 20 0.433 0.216 -19.344 1.00 0.00 C ATOM 311 O PRO A 20 1.343 0.016 -18.546 1.00 0.00 O ATOM 312 CB PRO A 20 0.807 0.946 -21.721 1.00 0.00 C ATOM 313 CG PRO A 20 0.103 0.626 -22.999 1.00 0.00 C ATOM 314 CD PRO A 20 -1.087 -0.268 -22.634 1.00 0.00 C ATOM 0 HA PRO A 20 1.349 -0.998 -20.795 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.424 1.868 -21.282 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.875 1.091 -21.887 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -0.235 1.537 -23.494 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.772 0.116 -23.692 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.013 0.305 -22.581 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.239 -1.051 -23.377 1.00 0.00 H new ATOM 322 N ALA A 21 -0.680 0.861 -19.016 1.00 0.00 N ATOM 323 CA ALA A 21 -0.877 1.373 -17.665 1.00 0.00 C ATOM 324 C ALA A 21 -0.616 0.290 -16.622 1.00 0.00 C ATOM 325 O ALA A 21 0.234 0.451 -15.750 1.00 0.00 O ATOM 326 CB ALA A 21 -2.308 1.896 -17.515 1.00 0.00 C ATOM 0 H ALA A 21 -1.452 1.041 -19.658 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.168 2.184 -17.501 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.452 2.278 -16.504 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.480 2.697 -18.234 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.013 1.086 -17.700 1.00 0.00 H new ATOM 332 N TYR A 22 -1.349 -0.809 -16.718 1.00 0.00 N ATOM 333 CA TYR A 22 -1.191 -1.904 -15.772 1.00 0.00 C ATOM 334 C TYR A 22 0.209 -2.503 -15.868 1.00 0.00 C ATOM 335 O TYR A 22 0.862 -2.778 -14.859 1.00 0.00 O ATOM 336 CB TYR A 22 -2.238 -2.979 -16.059 1.00 0.00 C ATOM 337 CG TYR A 22 -2.120 -4.083 -15.041 1.00 0.00 C ATOM 338 CD1 TYR A 22 -1.151 -5.075 -15.198 1.00 0.00 C ATOM 339 CD2 TYR A 22 -2.983 -4.112 -13.939 1.00 0.00 C ATOM 340 CE1 TYR A 22 -1.041 -6.100 -14.255 1.00 0.00 C ATOM 341 CE2 TYR A 22 -2.876 -5.138 -12.995 1.00 0.00 C ATOM 342 CZ TYR A 22 -1.903 -6.133 -13.153 1.00 0.00 C ATOM 343 OH TYR A 22 -1.795 -7.145 -12.222 1.00 0.00 O ATOM 0 H TYR A 22 -2.055 -0.966 -17.437 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.330 -1.518 -14.762 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.238 -2.546 -16.026 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.097 -3.380 -17.063 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.486 -5.050 -16.049 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.731 -3.342 -13.818 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.291 -6.867 -14.377 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.542 -5.163 -12.146 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.468 -7.018 -11.521 1.00 0.00 H new ATOM 353 N ARG A 23 0.668 -2.710 -17.086 1.00 0.00 N ATOM 354 CA ARG A 23 1.984 -3.282 -17.281 1.00 0.00 C ATOM 355 C ARG A 23 3.039 -2.410 -16.600 1.00 0.00 C ATOM 356 O ARG A 23 3.913 -2.909 -15.878 1.00 0.00 O ATOM 357 CB ARG A 23 2.267 -3.387 -18.777 1.00 0.00 C ATOM 358 CG ARG A 23 3.485 -4.278 -19.002 1.00 0.00 C ATOM 359 CD ARG A 23 3.787 -4.370 -20.499 1.00 0.00 C ATOM 360 NE ARG A 23 4.952 -5.219 -20.729 1.00 0.00 N ATOM 361 CZ ARG A 23 5.383 -5.480 -21.960 1.00 0.00 C ATOM 362 NH1 ARG A 23 4.767 -4.969 -22.990 1.00 0.00 N ATOM 363 NH2 ARG A 23 6.424 -6.248 -22.138 1.00 0.00 N ATOM 0 H ARG A 23 0.158 -2.495 -17.943 1.00 0.00 H new ATOM 0 HA ARG A 23 2.021 -4.277 -16.837 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.401 -3.800 -19.294 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.445 -2.396 -19.195 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.347 -3.873 -18.472 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.300 -5.273 -18.597 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.924 -4.775 -21.027 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.969 -3.374 -20.902 1.00 0.00 H new ATOM 0 HE ARG A 23 5.445 -5.620 -19.931 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.954 -4.369 -22.852 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.098 -5.170 -23.934 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.906 -6.648 -21.333 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.755 -6.448 -23.082 1.00 0.00 H new ATOM 377 N GLN A 24 2.941 -1.102 -16.810 1.00 0.00 N ATOM 378 CA GLN A 24 3.883 -0.175 -16.196 1.00 0.00 C ATOM 379 C GLN A 24 3.748 -0.194 -14.681 1.00 0.00 C ATOM 380 O GLN A 24 4.730 -0.005 -13.967 1.00 0.00 O ATOM 381 CB GLN A 24 3.662 1.246 -16.709 1.00 0.00 C ATOM 382 CG GLN A 24 4.156 1.352 -18.151 1.00 0.00 C ATOM 383 CD GLN A 24 4.091 2.799 -18.615 1.00 0.00 C ATOM 384 OE1 GLN A 24 3.009 3.377 -18.716 1.00 0.00 O ATOM 385 NE2 GLN A 24 5.201 3.419 -18.899 1.00 0.00 N ATOM 0 H GLN A 24 2.228 -0.664 -17.393 1.00 0.00 H new ATOM 0 HA GLN A 24 4.888 -0.497 -16.469 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.604 1.502 -16.657 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.194 1.958 -16.078 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.179 0.984 -18.222 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.546 0.725 -18.801 1.00 0.00 H new ATOM 0 HE21 GLN A 24 6.093 2.933 -18.813 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.178 4.391 -19.208 1.00 0.00 H new ATOM 394 N LYS A 25 2.537 -0.433 -14.190 1.00 0.00 N ATOM 395 CA LYS A 25 2.335 -0.482 -12.749 1.00 0.00 C ATOM 396 C LYS A 25 3.202 -1.577 -12.160 1.00 0.00 C ATOM 397 O LYS A 25 3.838 -1.384 -11.129 1.00 0.00 O ATOM 398 CB LYS A 25 0.866 -0.751 -12.416 1.00 0.00 C ATOM 399 CG LYS A 25 0.017 0.498 -12.703 1.00 0.00 C ATOM 400 CD LYS A 25 -0.014 1.400 -11.470 1.00 0.00 C ATOM 401 CE LYS A 25 -0.841 2.645 -11.773 1.00 0.00 C ATOM 402 NZ LYS A 25 -0.884 3.502 -10.560 1.00 0.00 N ATOM 0 H LYS A 25 1.701 -0.592 -14.752 1.00 0.00 H new ATOM 0 HA LYS A 25 2.613 0.481 -12.322 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.500 -1.591 -13.006 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.769 -1.032 -11.367 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.430 1.042 -13.552 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.997 0.205 -12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.442 0.863 -10.624 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.000 1.683 -11.188 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.404 3.194 -12.607 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.851 2.363 -12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.446 4.354 -10.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.319 2.974 -9.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.083 3.779 -10.296 1.00 0.00 H new ATOM 416 N LEU A 26 3.249 -2.724 -12.825 1.00 0.00 N ATOM 417 CA LEU A 26 4.090 -3.810 -12.335 1.00 0.00 C ATOM 418 C LEU A 26 5.561 -3.392 -12.391 1.00 0.00 C ATOM 419 O LEU A 26 6.332 -3.683 -11.476 1.00 0.00 O ATOM 420 CB LEU A 26 3.870 -5.088 -13.172 1.00 0.00 C ATOM 421 CG LEU A 26 2.702 -5.918 -12.611 1.00 0.00 C ATOM 422 CD1 LEU A 26 3.021 -6.422 -11.187 1.00 0.00 C ATOM 423 CD2 LEU A 26 1.434 -5.065 -12.599 1.00 0.00 C ATOM 0 H LEU A 26 2.731 -2.925 -13.681 1.00 0.00 H new ATOM 0 HA LEU A 26 3.817 -4.024 -11.302 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.665 -4.818 -14.208 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.780 -5.688 -13.173 1.00 0.00 H new ATOM 0 HG LEU A 26 2.549 -6.788 -13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.181 -7.006 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.914 -7.046 -11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.193 -5.570 -10.530 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.605 -5.651 -12.202 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.592 -4.188 -11.972 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.200 -4.747 -13.615 1.00 0.00 H new ATOM 435 N LEU A 27 5.948 -2.721 -13.473 1.00 0.00 N ATOM 436 CA LEU A 27 7.337 -2.282 -13.636 1.00 0.00 C ATOM 437 C LEU A 27 7.607 -1.010 -12.829 1.00 0.00 C ATOM 438 O LEU A 27 8.759 -0.635 -12.606 1.00 0.00 O ATOM 439 CB LEU A 27 7.614 -2.008 -15.113 1.00 0.00 C ATOM 440 CG LEU A 27 7.200 -3.221 -15.952 1.00 0.00 C ATOM 441 CD1 LEU A 27 7.339 -2.879 -17.437 1.00 0.00 C ATOM 442 CD2 LEU A 27 8.094 -4.423 -15.616 1.00 0.00 C ATOM 0 H LEU A 27 5.329 -2.470 -14.244 1.00 0.00 H new ATOM 0 HA LEU A 27 7.993 -3.072 -13.271 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.064 -1.125 -15.438 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.673 -1.796 -15.261 1.00 0.00 H new ATOM 0 HG LEU A 27 6.164 -3.476 -15.728 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.045 -3.740 -18.038 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.696 -2.032 -17.677 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.375 -2.621 -17.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.792 -5.280 -16.217 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.133 -4.176 -15.833 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.992 -4.668 -14.559 1.00 0.00 H new ATOM 454 N SER A 28 6.537 -0.342 -12.413 1.00 0.00 N ATOM 455 CA SER A 28 6.660 0.896 -11.653 1.00 0.00 C ATOM 456 C SER A 28 7.432 0.669 -10.359 1.00 0.00 C ATOM 457 O SER A 28 8.261 1.491 -9.968 1.00 0.00 O ATOM 458 CB SER A 28 5.271 1.440 -11.319 1.00 0.00 C ATOM 459 OG SER A 28 5.402 2.671 -10.623 1.00 0.00 O ATOM 0 H SER A 28 5.576 -0.636 -12.589 1.00 0.00 H new ATOM 0 HA SER A 28 7.205 1.615 -12.265 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.696 1.586 -12.233 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.724 0.721 -10.709 1.00 0.00 H new ATOM 0 HG SER A 28 4.512 3.022 -10.409 1.00 0.00 H new ATOM 465 N LEU A 29 7.144 -0.448 -9.691 1.00 0.00 N ATOM 466 CA LEU A 29 7.805 -0.785 -8.425 1.00 0.00 C ATOM 467 C LEU A 29 8.469 -2.161 -8.504 1.00 0.00 C ATOM 468 O LEU A 29 8.561 -2.755 -9.578 1.00 0.00 O ATOM 469 CB LEU A 29 6.780 -0.747 -7.280 1.00 0.00 C ATOM 470 CG LEU A 29 5.885 -1.996 -7.294 1.00 0.00 C ATOM 471 CD1 LEU A 29 4.746 -1.821 -6.281 1.00 0.00 C ATOM 472 CD2 LEU A 29 5.294 -2.206 -8.692 1.00 0.00 C ATOM 0 H LEU A 29 6.458 -1.136 -10.003 1.00 0.00 H new ATOM 0 HA LEU A 29 8.585 -0.049 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.300 -0.680 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.163 0.147 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 29 6.486 -2.865 -7.026 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.111 -2.707 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.164 -1.685 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.153 -0.946 -6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.662 -3.094 -8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.698 -1.337 -8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.101 -2.337 -9.412 1.00 0.00 H new ATOM 484 N GLY A 30 8.942 -2.649 -7.356 1.00 0.00 N ATOM 485 CA GLY A 30 9.614 -3.946 -7.283 1.00 0.00 C ATOM 486 C GLY A 30 8.649 -5.041 -6.838 1.00 0.00 C ATOM 487 O GLY A 30 8.998 -5.893 -6.021 1.00 0.00 O ATOM 0 H GLY A 30 8.871 -2.163 -6.462 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.031 -4.198 -8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.449 -3.887 -6.585 1.00 0.00 H new ATOM 491 N MET A 31 7.438 -5.025 -7.394 1.00 0.00 N ATOM 492 CA MET A 31 6.423 -6.037 -7.071 1.00 0.00 C ATOM 493 C MET A 31 6.026 -6.780 -8.328 1.00 0.00 C ATOM 494 O MET A 31 4.930 -6.598 -8.853 1.00 0.00 O ATOM 495 CB MET A 31 5.176 -5.394 -6.469 1.00 0.00 C ATOM 496 CG MET A 31 5.485 -4.897 -5.060 1.00 0.00 C ATOM 497 SD MET A 31 3.980 -4.216 -4.324 1.00 0.00 S ATOM 498 CE MET A 31 4.748 -3.542 -2.832 1.00 0.00 C ATOM 0 H MET A 31 7.133 -4.325 -8.070 1.00 0.00 H new ATOM 0 HA MET A 31 6.854 -6.724 -6.343 1.00 0.00 H new ATOM 0 HB2 MET A 31 4.845 -4.564 -7.094 1.00 0.00 H new ATOM 0 HB3 MET A 31 4.360 -6.116 -6.440 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.865 -5.715 -4.448 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.264 -4.136 -5.093 1.00 0.00 H new ATOM 0 HE1 MET A 31 3.987 -3.064 -2.215 1.00 0.00 H new ATOM 0 HE2 MET A 31 5.218 -4.348 -2.269 1.00 0.00 H new ATOM 0 HE3 MET A 31 5.503 -2.807 -3.112 1.00 0.00 H new ATOM 508 N LEU A 32 6.929 -7.613 -8.805 1.00 0.00 N ATOM 509 CA LEU A 32 6.677 -8.385 -10.010 1.00 0.00 C ATOM 510 C LEU A 32 5.870 -9.650 -9.675 1.00 0.00 C ATOM 511 O LEU A 32 5.959 -10.165 -8.562 1.00 0.00 O ATOM 512 CB LEU A 32 8.018 -8.768 -10.661 1.00 0.00 C ATOM 513 CG LEU A 32 8.603 -7.587 -11.465 1.00 0.00 C ATOM 514 CD1 LEU A 32 7.834 -7.375 -12.780 1.00 0.00 C ATOM 515 CD2 LEU A 32 8.553 -6.311 -10.620 1.00 0.00 C ATOM 0 H LEU A 32 7.842 -7.774 -8.380 1.00 0.00 H new ATOM 0 HA LEU A 32 6.096 -7.781 -10.707 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.726 -9.073 -9.890 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.875 -9.625 -11.320 1.00 0.00 H new ATOM 0 HG LEU A 32 9.638 -7.821 -11.712 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.269 -6.537 -13.325 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.899 -8.277 -13.389 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.788 -7.161 -12.559 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.967 -5.480 -11.191 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.519 -6.090 -10.355 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.138 -6.453 -9.711 1.00 0.00 H new ATOM 527 N PRO A 33 5.092 -10.155 -10.605 1.00 0.00 N ATOM 528 CA PRO A 33 4.269 -11.378 -10.386 1.00 0.00 C ATOM 529 C PRO A 33 5.027 -12.458 -9.627 1.00 0.00 C ATOM 530 O PRO A 33 6.233 -12.353 -9.409 1.00 0.00 O ATOM 531 CB PRO A 33 3.942 -11.856 -11.804 1.00 0.00 C ATOM 532 CG PRO A 33 3.986 -10.625 -12.656 1.00 0.00 C ATOM 533 CD PRO A 33 4.907 -9.614 -11.962 1.00 0.00 C ATOM 0 HA PRO A 33 3.387 -11.166 -9.781 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.665 -12.597 -12.146 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.960 -12.327 -11.844 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.359 -10.862 -13.652 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.986 -10.210 -12.781 1.00 0.00 H new ATOM 0 HD2 PRO A 33 5.859 -9.520 -12.485 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.458 -8.621 -11.936 1.00 0.00 H new ATOM 541 N GLY A 34 4.305 -13.505 -9.244 1.00 0.00 N ATOM 542 CA GLY A 34 4.900 -14.624 -8.521 1.00 0.00 C ATOM 543 C GLY A 34 4.316 -14.730 -7.116 1.00 0.00 C ATOM 544 O GLY A 34 4.499 -15.737 -6.432 1.00 0.00 O ATOM 0 H GLY A 34 3.305 -13.603 -9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.721 -15.551 -9.065 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.980 -14.492 -8.462 1.00 0.00 H new ATOM 548 N SER A 35 3.606 -13.684 -6.693 1.00 0.00 N ATOM 549 CA SER A 35 2.986 -13.660 -5.367 1.00 0.00 C ATOM 550 C SER A 35 1.527 -14.094 -5.456 1.00 0.00 C ATOM 551 O SER A 35 1.130 -14.789 -6.392 1.00 0.00 O ATOM 552 CB SER A 35 3.063 -12.251 -4.779 1.00 0.00 C ATOM 553 OG SER A 35 4.403 -11.783 -4.851 1.00 0.00 O ATOM 0 H SER A 35 3.446 -12.843 -7.248 1.00 0.00 H new ATOM 0 HA SER A 35 3.525 -14.353 -4.720 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.402 -11.580 -5.327 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.724 -12.258 -3.743 1.00 0.00 H new ATOM 0 HG SER A 35 4.412 -10.805 -4.785 1.00 0.00 H new ATOM 559 N SER A 36 0.729 -13.677 -4.476 1.00 0.00 N ATOM 560 CA SER A 36 -0.690 -14.025 -4.450 1.00 0.00 C ATOM 561 C SER A 36 -1.492 -12.935 -3.754 1.00 0.00 C ATOM 562 O SER A 36 -0.943 -12.123 -3.009 1.00 0.00 O ATOM 563 CB SER A 36 -0.891 -15.354 -3.720 1.00 0.00 C ATOM 564 OG SER A 36 -0.919 -15.118 -2.319 1.00 0.00 O ATOM 0 H SER A 36 1.038 -13.101 -3.693 1.00 0.00 H new ATOM 0 HA SER A 36 -1.040 -14.121 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.822 -15.822 -4.041 1.00 0.00 H new ATOM 0 HB3 SER A 36 -0.085 -16.045 -3.969 1.00 0.00 H new ATOM 0 HG SER A 36 -1.049 -15.967 -1.847 1.00 0.00 H new ATOM 570 N PHE A 37 -2.800 -12.919 -4.006 1.00 0.00 N ATOM 571 CA PHE A 37 -3.677 -11.919 -3.405 1.00 0.00 C ATOM 572 C PHE A 37 -5.052 -12.513 -3.127 1.00 0.00 C ATOM 573 O PHE A 37 -5.391 -13.587 -3.627 1.00 0.00 O ATOM 574 CB PHE A 37 -3.825 -10.714 -4.340 1.00 0.00 C ATOM 575 CG PHE A 37 -4.631 -11.100 -5.562 1.00 0.00 C ATOM 576 CD1 PHE A 37 -3.997 -11.627 -6.694 1.00 0.00 C ATOM 577 CD2 PHE A 37 -6.019 -10.933 -5.555 1.00 0.00 C ATOM 578 CE1 PHE A 37 -4.752 -11.986 -7.819 1.00 0.00 C ATOM 579 CE2 PHE A 37 -6.775 -11.291 -6.679 1.00 0.00 C ATOM 580 CZ PHE A 37 -6.142 -11.818 -7.810 1.00 0.00 C ATOM 0 H PHE A 37 -3.272 -13.584 -4.619 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.231 -11.596 -2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.316 -9.895 -3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.841 -10.355 -4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.925 -11.757 -6.700 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -6.509 -10.528 -4.682 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.262 -12.392 -8.692 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -7.847 -11.160 -6.672 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.725 -12.095 -8.676 1.00 0.00 H new ATOM 590 N ASN A 38 -5.843 -11.803 -2.325 1.00 0.00 N ATOM 591 CA ASN A 38 -7.190 -12.256 -1.977 1.00 0.00 C ATOM 592 C ASN A 38 -8.218 -11.173 -2.292 1.00 0.00 C ATOM 593 O ASN A 38 -7.954 -9.972 -2.140 1.00 0.00 O ATOM 594 CB ASN A 38 -7.255 -12.612 -0.489 1.00 0.00 C ATOM 595 CG ASN A 38 -8.522 -13.411 -0.201 1.00 0.00 C ATOM 596 OD1 ASN A 38 -9.024 -14.119 -1.074 1.00 0.00 O ATOM 597 ND2 ASN A 38 -9.070 -13.340 0.980 1.00 0.00 N ATOM 0 H ASN A 38 -5.576 -10.913 -1.904 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.420 -13.141 -2.570 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.377 -13.192 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.243 -11.703 0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.917 -13.872 1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.652 -12.753 1.702 1.00 0.00 H new ATOM 604 N VAL A 39 -9.391 -11.608 -2.740 1.00 0.00 N ATOM 605 CA VAL A 39 -10.456 -10.678 -3.081 1.00 0.00 C ATOM 606 C VAL A 39 -11.153 -10.188 -1.816 1.00 0.00 C ATOM 607 O VAL A 39 -11.565 -10.988 -0.975 1.00 0.00 O ATOM 608 CB VAL A 39 -11.484 -11.366 -3.983 1.00 0.00 C ATOM 609 CG1 VAL A 39 -12.579 -10.367 -4.361 1.00 0.00 C ATOM 610 CG2 VAL A 39 -10.800 -11.884 -5.250 1.00 0.00 C ATOM 0 H VAL A 39 -9.625 -12.592 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.018 -9.829 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.927 -12.206 -3.448 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.312 -10.856 -5.003 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.071 -10.008 -3.457 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.136 -9.525 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.537 -12.372 -5.888 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.351 -11.049 -5.788 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.024 -12.600 -4.978 1.00 0.00 H new ATOM 620 N VAL A 40 -11.282 -8.874 -1.689 1.00 0.00 N ATOM 621 CA VAL A 40 -11.937 -8.289 -0.524 1.00 0.00 C ATOM 622 C VAL A 40 -13.454 -8.438 -0.614 1.00 0.00 C ATOM 623 O VAL A 40 -14.121 -8.710 0.385 1.00 0.00 O ATOM 624 CB VAL A 40 -11.542 -6.807 -0.398 1.00 0.00 C ATOM 625 CG1 VAL A 40 -11.626 -6.118 -1.770 1.00 0.00 C ATOM 626 CG2 VAL A 40 -12.477 -6.097 0.592 1.00 0.00 C ATOM 0 H VAL A 40 -10.945 -8.196 -2.372 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.606 -8.823 0.367 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.517 -6.748 -0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.344 -5.070 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.947 -6.610 -2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.646 -6.185 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.190 -5.049 0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.505 -6.165 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.401 -6.573 1.570 1.00 0.00 H new ATOM 636 N ARG A 41 -13.990 -8.240 -1.810 1.00 0.00 N ATOM 637 CA ARG A 41 -15.425 -8.333 -2.020 1.00 0.00 C ATOM 638 C ARG A 41 -15.744 -8.229 -3.504 1.00 0.00 C ATOM 639 O ARG A 41 -14.930 -7.736 -4.285 1.00 0.00 O ATOM 640 CB ARG A 41 -16.120 -7.196 -1.265 1.00 0.00 C ATOM 641 CG ARG A 41 -15.707 -5.848 -1.867 1.00 0.00 C ATOM 642 CD ARG A 41 -16.270 -4.716 -1.004 1.00 0.00 C ATOM 643 NE ARG A 41 -15.927 -3.419 -1.577 1.00 0.00 N ATOM 644 CZ ARG A 41 -16.348 -2.288 -1.020 1.00 0.00 C ATOM 645 NH1 ARG A 41 -17.082 -2.325 0.059 1.00 0.00 N ATOM 646 NH2 ARG A 41 -16.026 -1.142 -1.551 1.00 0.00 N ATOM 0 H ARG A 41 -13.453 -8.014 -2.647 1.00 0.00 H new ATOM 0 HA ARG A 41 -15.781 -9.294 -1.649 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.202 -7.315 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -15.852 -7.231 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.621 -5.777 -1.917 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.080 -5.763 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.353 -4.812 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.872 -4.790 0.008 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.354 -3.379 -2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -17.333 -3.222 0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.405 -1.457 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.451 -1.114 -2.393 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.349 -0.274 -1.124 1.00 0.00 H new ATOM 660 N VAL A 42 -16.935 -8.679 -3.888 1.00 0.00 N ATOM 661 CA VAL A 42 -17.366 -8.612 -5.287 1.00 0.00 C ATOM 662 C VAL A 42 -18.714 -7.902 -5.373 1.00 0.00 C ATOM 663 O VAL A 42 -19.640 -8.225 -4.630 1.00 0.00 O ATOM 664 CB VAL A 42 -17.473 -10.025 -5.863 1.00 0.00 C ATOM 665 CG1 VAL A 42 -18.161 -9.981 -7.232 1.00 0.00 C ATOM 666 CG2 VAL A 42 -16.067 -10.607 -6.020 1.00 0.00 C ATOM 0 H VAL A 42 -17.619 -9.093 -3.255 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.633 -8.051 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 42 -18.061 -10.648 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.233 -10.991 -7.635 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -19.161 -9.561 -7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -17.579 -9.359 -7.912 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -16.134 -11.615 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.486 -9.978 -6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.577 -10.643 -5.047 1.00 0.00 H new ATOM 676 N ALA A 43 -18.822 -6.928 -6.278 1.00 0.00 N ATOM 677 CA ALA A 43 -20.071 -6.182 -6.435 1.00 0.00 C ATOM 678 C ALA A 43 -20.948 -6.830 -7.523 1.00 0.00 C ATOM 679 O ALA A 43 -20.590 -6.777 -8.701 1.00 0.00 O ATOM 680 CB ALA A 43 -19.756 -4.736 -6.835 1.00 0.00 C ATOM 0 H ALA A 43 -18.071 -6.640 -6.905 1.00 0.00 H new ATOM 0 HA ALA A 43 -20.610 -6.196 -5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -20.686 -4.180 -6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.149 -4.268 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -19.209 -4.730 -7.778 1.00 0.00 H new ATOM 686 N PRO A 44 -22.076 -7.432 -7.177 1.00 0.00 N ATOM 687 CA PRO A 44 -22.968 -8.076 -8.185 1.00 0.00 C ATOM 688 C PRO A 44 -23.780 -7.048 -8.973 1.00 0.00 C ATOM 689 O PRO A 44 -24.401 -7.379 -9.983 1.00 0.00 O ATOM 690 CB PRO A 44 -23.876 -8.988 -7.348 1.00 0.00 C ATOM 691 CG PRO A 44 -23.942 -8.341 -5.999 1.00 0.00 C ATOM 692 CD PRO A 44 -22.630 -7.562 -5.810 1.00 0.00 C ATOM 0 HA PRO A 44 -22.405 -8.623 -8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.867 -9.073 -7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.468 -9.997 -7.282 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -24.800 -7.672 -5.933 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -24.061 -9.091 -5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -22.809 -6.586 -5.360 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.943 -8.095 -5.152 1.00 0.00 H new ATOM 700 N LEU A 45 -23.792 -5.810 -8.490 1.00 0.00 N ATOM 701 CA LEU A 45 -24.552 -4.755 -9.150 1.00 0.00 C ATOM 702 C LEU A 45 -24.029 -4.519 -10.563 1.00 0.00 C ATOM 703 O LEU A 45 -24.792 -4.162 -11.461 1.00 0.00 O ATOM 704 CB LEU A 45 -24.454 -3.454 -8.340 1.00 0.00 C ATOM 705 CG LEU A 45 -25.349 -2.369 -8.958 1.00 0.00 C ATOM 706 CD1 LEU A 45 -26.829 -2.793 -8.891 1.00 0.00 C ATOM 707 CD2 LEU A 45 -25.147 -1.061 -8.187 1.00 0.00 C ATOM 0 H LEU A 45 -23.290 -5.515 -7.653 1.00 0.00 H new ATOM 0 HA LEU A 45 -25.594 -5.068 -9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -24.754 -3.637 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.420 -3.111 -8.315 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.078 -2.229 -10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.451 -2.014 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -26.966 -3.723 -9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -27.118 -2.942 -7.851 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -25.778 -0.284 -8.618 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.417 -1.210 -7.141 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -24.102 -0.758 -8.252 1.00 0.00 H new ATOM 719 N GLY A 46 -22.727 -4.717 -10.756 1.00 0.00 N ATOM 720 CA GLY A 46 -22.109 -4.516 -12.068 1.00 0.00 C ATOM 721 C GLY A 46 -20.905 -3.591 -11.954 1.00 0.00 C ATOM 722 O GLY A 46 -20.586 -2.855 -12.887 1.00 0.00 O ATOM 0 H GLY A 46 -22.081 -5.015 -10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -21.800 -5.476 -12.482 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -22.838 -4.091 -12.758 1.00 0.00 H new ATOM 726 N ASP A 47 -20.239 -3.617 -10.796 1.00 0.00 N ATOM 727 CA ASP A 47 -19.075 -2.758 -10.574 1.00 0.00 C ATOM 728 C ASP A 47 -17.783 -3.545 -10.825 1.00 0.00 C ATOM 729 O ASP A 47 -17.817 -4.756 -11.029 1.00 0.00 O ATOM 730 CB ASP A 47 -19.103 -2.208 -9.123 1.00 0.00 C ATOM 731 CG ASP A 47 -19.108 -0.676 -9.115 1.00 0.00 C ATOM 732 OD1 ASP A 47 -19.878 -0.101 -9.866 1.00 0.00 O ATOM 733 OD2 ASP A 47 -18.333 -0.106 -8.365 1.00 0.00 O ATOM 0 H ASP A 47 -20.483 -4.216 -10.007 1.00 0.00 H new ATOM 0 HA ASP A 47 -19.108 -1.920 -11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -19.988 -2.581 -8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -18.235 -2.575 -8.575 1.00 0.00 H new ATOM 738 N PRO A 48 -16.648 -2.888 -10.801 1.00 0.00 N ATOM 739 CA PRO A 48 -15.336 -3.562 -11.024 1.00 0.00 C ATOM 740 C PRO A 48 -15.064 -4.624 -9.960 1.00 0.00 C ATOM 741 O PRO A 48 -15.939 -4.959 -9.164 1.00 0.00 O ATOM 742 CB PRO A 48 -14.299 -2.423 -10.950 1.00 0.00 C ATOM 743 CG PRO A 48 -15.085 -1.161 -11.124 1.00 0.00 C ATOM 744 CD PRO A 48 -16.477 -1.444 -10.564 1.00 0.00 C ATOM 0 HA PRO A 48 -15.305 -4.090 -11.977 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.774 -2.431 -9.995 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -13.544 -2.527 -11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.614 -0.333 -10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -15.139 -0.878 -12.175 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -16.542 -1.200 -9.504 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -17.243 -0.859 -11.073 1.00 0.00 H new ATOM 752 N ILE A 49 -13.842 -5.153 -9.957 1.00 0.00 N ATOM 753 CA ILE A 49 -13.450 -6.182 -8.994 1.00 0.00 C ATOM 754 C ILE A 49 -12.488 -5.588 -7.975 1.00 0.00 C ATOM 755 O ILE A 49 -11.371 -5.196 -8.313 1.00 0.00 O ATOM 756 CB ILE A 49 -12.765 -7.344 -9.735 1.00 0.00 C ATOM 757 CG1 ILE A 49 -13.519 -7.626 -11.043 1.00 0.00 C ATOM 758 CG2 ILE A 49 -12.737 -8.609 -8.858 1.00 0.00 C ATOM 759 CD1 ILE A 49 -14.977 -8.012 -10.760 1.00 0.00 C ATOM 0 H ILE A 49 -13.106 -4.886 -10.610 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.336 -6.553 -8.479 1.00 0.00 H new ATOM 0 HB ILE A 49 -11.736 -7.063 -9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.489 -6.744 -11.682 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.024 -8.431 -11.587 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -12.248 -9.418 -9.401 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -12.186 -8.403 -7.940 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -13.757 -8.903 -8.610 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -15.491 -8.207 -11.701 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.002 -8.908 -10.140 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -15.475 -7.195 -10.237 1.00 0.00 H new ATOM 771 N HIS A 50 -12.932 -5.527 -6.725 1.00 0.00 N ATOM 772 CA HIS A 50 -12.111 -4.980 -5.651 1.00 0.00 C ATOM 773 C HIS A 50 -11.256 -6.068 -5.038 1.00 0.00 C ATOM 774 O HIS A 50 -11.772 -7.092 -4.588 1.00 0.00 O ATOM 775 CB HIS A 50 -13.007 -4.371 -4.568 1.00 0.00 C ATOM 776 CG HIS A 50 -13.621 -3.103 -5.088 1.00 0.00 C ATOM 777 ND1 HIS A 50 -13.084 -2.072 -5.803 1.00 0.00 N flip ATOM 778 CD2 HIS A 50 -14.949 -2.766 -4.883 1.00 0.00 C flip ATOM 779 CE1 HIS A 50 -14.045 -1.106 -6.045 1.00 0.00 C flip ATOM 780 NE2 HIS A 50 -15.151 -1.571 -5.471 1.00 0.00 N flip ATOM 0 H HIS A 50 -13.854 -5.849 -6.430 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.464 -4.208 -6.068 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -13.787 -5.078 -4.286 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -12.424 -4.165 -3.671 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -15.684 -3.352 -4.351 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -13.923 -0.177 -6.583 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -16.046 -1.081 -5.475 1.00 0.00 H new ATOM 788 N ILE A 51 -9.944 -5.845 -5.016 1.00 0.00 N ATOM 789 CA ILE A 51 -9.020 -6.821 -4.443 1.00 0.00 C ATOM 790 C ILE A 51 -8.090 -6.148 -3.444 1.00 0.00 C ATOM 791 O ILE A 51 -7.677 -5.001 -3.635 1.00 0.00 O ATOM 792 CB ILE A 51 -8.206 -7.486 -5.560 1.00 0.00 C ATOM 793 CG1 ILE A 51 -7.468 -6.417 -6.375 1.00 0.00 C ATOM 794 CG2 ILE A 51 -9.145 -8.267 -6.482 1.00 0.00 C ATOM 795 CD1 ILE A 51 -6.523 -7.094 -7.372 1.00 0.00 C ATOM 0 H ILE A 51 -9.499 -5.004 -5.385 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.595 -7.585 -3.919 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.479 -8.166 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.185 -5.790 -6.906 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.904 -5.763 -5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.566 -8.739 -7.276 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.665 -9.033 -5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.874 -7.586 -6.921 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.999 -6.333 -7.951 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.798 -7.702 -6.831 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.099 -7.729 -8.045 1.00 0.00 H new ATOM 807 N GLU A 52 -7.753 -6.875 -2.373 1.00 0.00 N ATOM 808 CA GLU A 52 -6.858 -6.348 -1.340 1.00 0.00 C ATOM 809 C GLU A 52 -5.674 -7.278 -1.151 1.00 0.00 C ATOM 810 O GLU A 52 -5.828 -8.420 -0.715 1.00 0.00 O ATOM 811 CB GLU A 52 -7.604 -6.172 -0.014 1.00 0.00 C ATOM 812 CG GLU A 52 -8.522 -4.948 -0.101 1.00 0.00 C ATOM 813 CD GLU A 52 -9.309 -4.796 1.196 1.00 0.00 C ATOM 814 OE1 GLU A 52 -9.101 -5.599 2.091 1.00 0.00 O ATOM 815 OE2 GLU A 52 -10.106 -3.875 1.278 1.00 0.00 O ATOM 0 H GLU A 52 -8.085 -7.824 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.496 -5.372 -1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.190 -7.064 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.892 -6.048 0.802 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.930 -4.051 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.207 -5.056 -0.942 1.00 0.00 H new ATOM 822 N THR A 53 -4.489 -6.782 -1.492 1.00 0.00 N ATOM 823 CA THR A 53 -3.265 -7.572 -1.370 1.00 0.00 C ATOM 824 C THR A 53 -2.450 -7.084 -0.181 1.00 0.00 C ATOM 825 O THR A 53 -2.321 -5.880 0.046 1.00 0.00 O ATOM 826 CB THR A 53 -2.426 -7.453 -2.654 1.00 0.00 C ATOM 827 OG1 THR A 53 -1.486 -6.396 -2.507 1.00 0.00 O ATOM 828 CG2 THR A 53 -3.336 -7.148 -3.858 1.00 0.00 C ATOM 0 H THR A 53 -4.348 -5.839 -1.854 1.00 0.00 H new ATOM 0 HA THR A 53 -3.536 -8.617 -1.218 1.00 0.00 H new ATOM 0 HB THR A 53 -1.907 -8.396 -2.824 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.884 -5.558 -2.824 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.730 -7.066 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.061 -7.953 -3.979 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.862 -6.209 -3.688 1.00 0.00 H new ATOM 836 N ARG A 54 -1.906 -8.028 0.576 1.00 0.00 N ATOM 837 CA ARG A 54 -1.110 -7.697 1.752 1.00 0.00 C ATOM 838 C ARG A 54 -0.196 -6.512 1.461 1.00 0.00 C ATOM 839 O ARG A 54 -0.049 -5.610 2.286 1.00 0.00 O ATOM 840 CB ARG A 54 -0.264 -8.906 2.154 1.00 0.00 C ATOM 841 CG ARG A 54 -1.171 -10.127 2.327 1.00 0.00 C ATOM 842 CD ARG A 54 -0.336 -11.326 2.784 1.00 0.00 C ATOM 843 NE ARG A 54 -1.172 -12.519 2.880 1.00 0.00 N ATOM 844 CZ ARG A 54 -1.879 -12.780 3.976 1.00 0.00 C ATOM 845 NH1 ARG A 54 -1.839 -11.961 4.991 1.00 0.00 N ATOM 846 NH2 ARG A 54 -2.616 -13.856 4.034 1.00 0.00 N ATOM 0 H ARG A 54 -2.001 -9.028 0.398 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.783 -7.430 2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.491 -9.105 1.393 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.267 -8.699 3.083 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.950 -9.913 3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.672 -10.357 1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.478 -11.500 2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.119 -11.113 3.752 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.215 -13.165 2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.265 -11.119 4.945 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -2.382 -12.163 5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.649 -14.495 3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.159 -14.058 4.874 1.00 0.00 H new ATOM 860 N ARG A 55 0.413 -6.521 0.282 1.00 0.00 N ATOM 861 CA ARG A 55 1.309 -5.441 -0.111 1.00 0.00 C ATOM 862 C ARG A 55 0.535 -4.139 -0.300 1.00 0.00 C ATOM 863 O ARG A 55 0.966 -3.078 0.151 1.00 0.00 O ATOM 864 CB ARG A 55 2.017 -5.806 -1.416 1.00 0.00 C ATOM 865 CG ARG A 55 3.024 -6.926 -1.155 1.00 0.00 C ATOM 866 CD ARG A 55 3.702 -7.321 -2.465 1.00 0.00 C ATOM 867 NE ARG A 55 4.658 -8.399 -2.230 1.00 0.00 N ATOM 868 CZ ARG A 55 4.273 -9.673 -2.232 1.00 0.00 C ATOM 869 NH1 ARG A 55 3.019 -9.974 -2.437 1.00 0.00 N ATOM 870 NH2 ARG A 55 5.146 -10.619 -2.023 1.00 0.00 N ATOM 0 H ARG A 55 0.304 -7.258 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 55 2.045 -5.299 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.288 -6.125 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.526 -4.932 -1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.771 -6.596 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.519 -7.789 -0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.953 -7.640 -3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.213 -6.459 -2.894 1.00 0.00 H new ATOM 0 HE ARG A 55 5.638 -8.172 -2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.336 -9.233 -2.595 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.722 -10.950 -2.439 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.124 -10.383 -1.858 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.850 -11.595 -2.025 1.00 0.00 H new ATOM 884 N VAL A 56 -0.610 -4.228 -0.975 1.00 0.00 N ATOM 885 CA VAL A 56 -1.435 -3.050 -1.225 1.00 0.00 C ATOM 886 C VAL A 56 -2.783 -3.456 -1.796 1.00 0.00 C ATOM 887 O VAL A 56 -3.004 -4.624 -2.122 1.00 0.00 O ATOM 888 CB VAL A 56 -0.724 -2.110 -2.202 1.00 0.00 C ATOM 889 CG1 VAL A 56 -0.561 -2.804 -3.556 1.00 0.00 C ATOM 890 CG2 VAL A 56 -1.531 -0.810 -2.378 1.00 0.00 C ATOM 0 H VAL A 56 -0.984 -5.097 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.595 -2.533 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 56 0.258 -1.861 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.055 -2.133 -4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.031 -3.711 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.543 -3.063 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.013 -0.152 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.521 -1.046 -2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.631 -0.311 -1.414 1.00 0.00 H new ATOM 900 N SER A 57 -3.681 -2.482 -1.929 1.00 0.00 N ATOM 901 CA SER A 57 -5.009 -2.739 -2.477 1.00 0.00 C ATOM 902 C SER A 57 -5.163 -2.076 -3.838 1.00 0.00 C ATOM 903 O SER A 57 -4.497 -1.085 -4.138 1.00 0.00 O ATOM 904 CB SER A 57 -6.086 -2.209 -1.535 1.00 0.00 C ATOM 905 OG SER A 57 -6.002 -0.791 -1.482 1.00 0.00 O ATOM 0 H SER A 57 -3.513 -1.511 -1.665 1.00 0.00 H new ATOM 0 HA SER A 57 -5.125 -3.817 -2.588 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.073 -2.514 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.955 -2.631 -0.539 1.00 0.00 H new ATOM 0 HG SER A 57 -6.693 -0.445 -0.879 1.00 0.00 H new ATOM 911 N LEU A 58 -6.043 -2.638 -4.661 1.00 0.00 N ATOM 912 CA LEU A 58 -6.275 -2.096 -5.994 1.00 0.00 C ATOM 913 C LEU A 58 -7.606 -2.596 -6.553 1.00 0.00 C ATOM 914 O LEU A 58 -8.149 -3.611 -6.100 1.00 0.00 O ATOM 915 CB LEU A 58 -5.111 -2.494 -6.926 1.00 0.00 C ATOM 916 CG LEU A 58 -5.268 -1.828 -8.323 1.00 0.00 C ATOM 917 CD1 LEU A 58 -3.899 -1.369 -8.851 1.00 0.00 C ATOM 918 CD2 LEU A 58 -5.859 -2.831 -9.324 1.00 0.00 C ATOM 0 H LEU A 58 -6.602 -3.460 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.323 -1.009 -5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.163 -2.194 -6.480 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.082 -3.578 -7.036 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.932 -0.970 -8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.023 -0.905 -9.829 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.466 -0.647 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.236 -2.230 -8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.964 -2.354 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.196 -3.692 -9.411 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.837 -3.161 -8.974 1.00 0.00 H new ATOM 930 N VAL A 59 -8.130 -1.872 -7.543 1.00 0.00 N ATOM 931 CA VAL A 59 -9.398 -2.234 -8.177 1.00 0.00 C ATOM 932 C VAL A 59 -9.159 -2.606 -9.635 1.00 0.00 C ATOM 933 O VAL A 59 -8.495 -1.877 -10.371 1.00 0.00 O ATOM 934 CB VAL A 59 -10.383 -1.060 -8.116 1.00 0.00 C ATOM 935 CG1 VAL A 59 -9.814 0.130 -8.887 1.00 0.00 C ATOM 936 CG2 VAL A 59 -11.718 -1.487 -8.743 1.00 0.00 C ATOM 0 H VAL A 59 -7.696 -1.031 -7.923 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.820 -3.085 -7.642 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.541 -0.771 -7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.516 0.962 -8.842 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.865 0.431 -8.443 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.654 -0.153 -9.927 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.422 -0.656 -8.702 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.557 -1.775 -9.782 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.125 -2.334 -8.191 1.00 0.00 H new ATOM 946 N LEU A 60 -9.697 -3.752 -10.048 1.00 0.00 N ATOM 947 CA LEU A 60 -9.532 -4.220 -11.426 1.00 0.00 C ATOM 948 C LEU A 60 -10.875 -4.685 -11.985 1.00 0.00 C ATOM 949 O LEU A 60 -11.754 -5.108 -11.242 1.00 0.00 O ATOM 950 CB LEU A 60 -8.495 -5.370 -11.457 1.00 0.00 C ATOM 951 CG LEU A 60 -7.577 -5.242 -12.690 1.00 0.00 C ATOM 952 CD1 LEU A 60 -6.460 -4.234 -12.405 1.00 0.00 C ATOM 953 CD2 LEU A 60 -6.944 -6.601 -13.013 1.00 0.00 C ATOM 0 H LEU A 60 -10.248 -4.371 -9.454 1.00 0.00 H new ATOM 0 HA LEU A 60 -9.170 -3.403 -12.049 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.895 -5.350 -10.547 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.010 -6.330 -11.479 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.174 -4.903 -13.536 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.815 -4.148 -13.280 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.897 -3.261 -12.179 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.872 -4.574 -11.553 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -6.297 -6.503 -13.885 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.355 -6.940 -12.161 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.729 -7.327 -13.224 1.00 0.00 H new ATOM 965 N ARG A 61 -11.021 -4.592 -13.302 1.00 0.00 N ATOM 966 CA ARG A 61 -12.257 -4.994 -13.965 1.00 0.00 C ATOM 967 C ARG A 61 -12.277 -6.501 -14.196 1.00 0.00 C ATOM 968 O ARG A 61 -11.236 -7.158 -14.158 1.00 0.00 O ATOM 969 CB ARG A 61 -12.373 -4.262 -15.307 1.00 0.00 C ATOM 970 CG ARG A 61 -12.549 -2.747 -15.078 1.00 0.00 C ATOM 971 CD ARG A 61 -14.032 -2.405 -14.901 1.00 0.00 C ATOM 972 NE ARG A 61 -14.742 -2.632 -16.153 1.00 0.00 N ATOM 973 CZ ARG A 61 -16.062 -2.516 -16.230 1.00 0.00 C ATOM 974 NH1 ARG A 61 -16.752 -2.195 -15.169 1.00 0.00 N ATOM 975 NH2 ARG A 61 -16.667 -2.721 -17.366 1.00 0.00 N ATOM 0 H ARG A 61 -10.299 -4.242 -13.932 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.101 -4.732 -13.328 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.481 -4.445 -15.907 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.221 -4.652 -15.870 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.990 -2.438 -14.195 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.140 -2.194 -15.924 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.464 -3.018 -14.110 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.141 -1.365 -14.594 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.214 -2.885 -16.988 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.277 -2.033 -14.281 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.766 -2.106 -15.228 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.126 -2.970 -18.194 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.681 -2.632 -17.427 1.00 0.00 H new ATOM 989 N LYS A 62 -13.467 -7.040 -14.435 1.00 0.00 N ATOM 990 CA LYS A 62 -13.616 -8.470 -14.675 1.00 0.00 C ATOM 991 C LYS A 62 -12.810 -8.897 -15.898 1.00 0.00 C ATOM 992 O LYS A 62 -12.101 -9.908 -15.871 1.00 0.00 O ATOM 993 CB LYS A 62 -15.093 -8.797 -14.897 1.00 0.00 C ATOM 994 CG LYS A 62 -15.265 -10.300 -15.118 1.00 0.00 C ATOM 995 CD LYS A 62 -16.746 -10.622 -15.306 1.00 0.00 C ATOM 996 CE LYS A 62 -16.898 -12.124 -15.518 1.00 0.00 C ATOM 997 NZ LYS A 62 -18.334 -12.460 -15.723 1.00 0.00 N ATOM 0 H LYS A 62 -14.339 -6.511 -14.468 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.243 -9.012 -13.806 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -15.679 -8.478 -14.035 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.470 -8.248 -15.760 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.699 -10.616 -15.994 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.868 -10.851 -14.266 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.315 -10.304 -14.432 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -17.145 -10.078 -16.162 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.314 -12.440 -16.382 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.508 -12.664 -14.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -18.434 -13.485 -15.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -18.881 -12.173 -14.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -18.692 -11.956 -16.559 1.00 0.00 H new ATOM 1011 N LYS A 63 -12.925 -8.124 -16.968 1.00 0.00 N ATOM 1012 CA LYS A 63 -12.208 -8.435 -18.197 1.00 0.00 C ATOM 1013 C LYS A 63 -10.708 -8.451 -17.931 1.00 0.00 C ATOM 1014 O LYS A 63 -9.985 -9.310 -18.439 1.00 0.00 O ATOM 1015 CB LYS A 63 -12.529 -7.390 -19.268 1.00 0.00 C ATOM 1016 CG LYS A 63 -14.003 -7.480 -19.649 1.00 0.00 C ATOM 1017 CD LYS A 63 -14.309 -6.428 -20.713 1.00 0.00 C ATOM 1018 CE LYS A 63 -15.792 -6.490 -21.063 1.00 0.00 C ATOM 1019 NZ LYS A 63 -16.112 -5.452 -22.082 1.00 0.00 N ATOM 0 H LYS A 63 -13.502 -7.284 -17.011 1.00 0.00 H new ATOM 0 HA LYS A 63 -12.521 -9.417 -18.550 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.300 -6.391 -18.896 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.906 -7.553 -20.147 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.233 -8.476 -20.028 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -14.629 -7.320 -18.771 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.050 -5.435 -20.345 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.705 -6.606 -21.603 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.044 -7.479 -21.446 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.394 -6.332 -20.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -17.124 -5.497 -22.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.887 -4.511 -21.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.549 -5.622 -22.939 1.00 0.00 H new ATOM 1033 N ASP A 64 -10.250 -7.501 -17.126 1.00 0.00 N ATOM 1034 CA ASP A 64 -8.836 -7.418 -16.791 1.00 0.00 C ATOM 1035 C ASP A 64 -8.394 -8.677 -16.043 1.00 0.00 C ATOM 1036 O ASP A 64 -7.306 -9.200 -16.284 1.00 0.00 O ATOM 1037 CB ASP A 64 -8.581 -6.187 -15.927 1.00 0.00 C ATOM 1038 CG ASP A 64 -8.737 -4.922 -16.763 1.00 0.00 C ATOM 1039 OD1 ASP A 64 -8.739 -5.035 -17.977 1.00 0.00 O ATOM 1040 OD2 ASP A 64 -8.857 -3.860 -16.175 1.00 0.00 O ATOM 0 H ASP A 64 -10.833 -6.783 -16.696 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.260 -7.336 -17.713 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -9.280 -6.169 -15.091 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.578 -6.231 -15.503 1.00 0.00 H new ATOM 1045 N LEU A 65 -9.247 -9.162 -15.139 1.00 0.00 N ATOM 1046 CA LEU A 65 -8.928 -10.367 -14.373 1.00 0.00 C ATOM 1047 C LEU A 65 -8.759 -11.553 -15.318 1.00 0.00 C ATOM 1048 O LEU A 65 -7.825 -12.343 -15.176 1.00 0.00 O ATOM 1049 CB LEU A 65 -10.054 -10.669 -13.347 1.00 0.00 C ATOM 1050 CG LEU A 65 -9.579 -10.391 -11.909 1.00 0.00 C ATOM 1051 CD1 LEU A 65 -9.119 -8.927 -11.764 1.00 0.00 C ATOM 1052 CD2 LEU A 65 -10.717 -10.679 -10.942 1.00 0.00 C ATOM 0 H LEU A 65 -10.152 -8.745 -14.921 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.996 -10.201 -13.833 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.928 -10.057 -13.570 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.363 -11.710 -13.437 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.732 -11.038 -11.681 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.787 -8.750 -10.741 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -8.295 -8.735 -12.451 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.949 -8.260 -11.997 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.386 -10.484 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.566 -10.037 -11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.016 -11.723 -11.033 1.00 0.00 H new ATOM 1064 N ALA A 66 -9.669 -11.678 -16.277 1.00 0.00 N ATOM 1065 CA ALA A 66 -9.597 -12.779 -17.226 1.00 0.00 C ATOM 1066 C ALA A 66 -8.304 -12.703 -18.025 1.00 0.00 C ATOM 1067 O ALA A 66 -7.643 -13.715 -18.252 1.00 0.00 O ATOM 1068 CB ALA A 66 -10.790 -12.726 -18.180 1.00 0.00 C ATOM 0 H ALA A 66 -10.453 -11.041 -16.416 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.619 -13.717 -16.672 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.728 -13.554 -18.887 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -11.716 -12.804 -17.610 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.778 -11.782 -18.725 1.00 0.00 H new ATOM 1074 N LEU A 67 -7.945 -11.497 -18.445 1.00 0.00 N ATOM 1075 CA LEU A 67 -6.724 -11.304 -19.212 1.00 0.00 C ATOM 1076 C LEU A 67 -5.499 -11.566 -18.347 1.00 0.00 C ATOM 1077 O LEU A 67 -4.531 -12.174 -18.795 1.00 0.00 O ATOM 1078 CB LEU A 67 -6.667 -9.877 -19.755 1.00 0.00 C ATOM 1079 CG LEU A 67 -7.753 -9.681 -20.819 1.00 0.00 C ATOM 1080 CD1 LEU A 67 -7.819 -8.197 -21.193 1.00 0.00 C ATOM 1081 CD2 LEU A 67 -7.435 -10.525 -22.071 1.00 0.00 C ATOM 0 H LEU A 67 -8.477 -10.645 -18.269 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.727 -12.010 -20.042 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.808 -9.164 -18.943 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.685 -9.681 -20.185 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.714 -10.005 -20.420 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.589 -8.046 -21.950 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.061 -7.609 -20.308 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.855 -7.878 -21.588 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.215 -10.376 -22.818 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.474 -10.217 -22.483 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.391 -11.579 -21.798 1.00 0.00 H new ATOM 1093 N LEU A 68 -5.541 -11.101 -17.107 1.00 0.00 N ATOM 1094 CA LEU A 68 -4.416 -11.292 -16.201 1.00 0.00 C ATOM 1095 C LEU A 68 -4.226 -12.775 -15.909 1.00 0.00 C ATOM 1096 O LEU A 68 -5.181 -13.479 -15.577 1.00 0.00 O ATOM 1097 CB LEU A 68 -4.668 -10.536 -14.891 1.00 0.00 C ATOM 1098 CG LEU A 68 -3.372 -10.469 -14.057 1.00 0.00 C ATOM 1099 CD1 LEU A 68 -2.539 -9.249 -14.475 1.00 0.00 C ATOM 1100 CD2 LEU A 68 -3.721 -10.356 -12.569 1.00 0.00 C ATOM 0 H LEU A 68 -6.331 -10.595 -16.708 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.513 -10.904 -16.673 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.023 -9.528 -15.107 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.451 -11.034 -14.320 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.794 -11.377 -14.231 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.626 -9.211 -13.880 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.281 -9.329 -15.531 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.117 -8.340 -14.311 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.803 -10.309 -11.983 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.306 -9.452 -12.400 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.302 -11.227 -12.264 1.00 0.00 H new ATOM 1112 N GLU A 69 -2.990 -13.250 -16.036 1.00 0.00 N ATOM 1113 CA GLU A 69 -2.709 -14.658 -15.781 1.00 0.00 C ATOM 1114 C GLU A 69 -2.723 -14.933 -14.283 1.00 0.00 C ATOM 1115 O GLU A 69 -1.878 -14.431 -13.542 1.00 0.00 O ATOM 1116 CB GLU A 69 -1.344 -15.038 -16.360 1.00 0.00 C ATOM 1117 CG GLU A 69 -1.328 -14.747 -17.862 1.00 0.00 C ATOM 1118 CD GLU A 69 -2.242 -15.724 -18.594 1.00 0.00 C ATOM 1119 OE1 GLU A 69 -2.692 -16.669 -17.967 1.00 0.00 O ATOM 1120 OE2 GLU A 69 -2.468 -15.520 -19.775 1.00 0.00 O ATOM 0 H GLU A 69 -2.181 -12.692 -16.309 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.481 -15.258 -16.262 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.556 -14.474 -15.861 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.142 -16.094 -16.181 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.655 -13.724 -18.046 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.311 -14.831 -18.246 1.00 0.00 H new ATOM 1127 N VAL A 70 -3.690 -15.738 -13.841 1.00 0.00 N ATOM 1128 CA VAL A 70 -3.812 -16.080 -12.423 1.00 0.00 C ATOM 1129 C VAL A 70 -4.003 -17.581 -12.247 1.00 0.00 C ATOM 1130 O VAL A 70 -4.425 -18.275 -13.171 1.00 0.00 O ATOM 1131 CB VAL A 70 -4.996 -15.339 -11.797 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -4.708 -13.834 -11.762 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -6.251 -15.601 -12.635 1.00 0.00 C ATOM 0 H VAL A 70 -4.397 -16.164 -14.441 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.892 -15.778 -11.922 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.151 -15.696 -10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.554 -13.312 -11.315 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.813 -13.649 -11.168 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.552 -13.470 -12.777 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.099 -15.076 -12.195 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.091 -15.243 -13.652 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.458 -16.671 -12.656 1.00 0.00 H new ATOM 1143 N GLU A 71 -3.682 -18.076 -11.052 1.00 0.00 N ATOM 1144 CA GLU A 71 -3.814 -19.503 -10.754 1.00 0.00 C ATOM 1145 C GLU A 71 -4.269 -19.713 -9.313 1.00 0.00 C ATOM 1146 O GLU A 71 -3.761 -19.074 -8.392 1.00 0.00 O ATOM 1147 CB GLU A 71 -2.471 -20.209 -10.968 1.00 0.00 C ATOM 1148 CG GLU A 71 -2.127 -20.223 -12.462 1.00 0.00 C ATOM 1149 CD GLU A 71 -0.771 -20.883 -12.687 1.00 0.00 C ATOM 1150 OE1 GLU A 71 -0.179 -21.325 -11.717 1.00 0.00 O ATOM 1151 OE2 GLU A 71 -0.345 -20.938 -13.829 1.00 0.00 O ATOM 0 H GLU A 71 -3.330 -17.513 -10.277 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.561 -19.924 -11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.687 -19.698 -10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.521 -21.229 -10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.897 -20.761 -13.014 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.111 -19.204 -12.848 1.00 0.00 H new ATOM 1158 N ALA A 72 -5.225 -20.617 -9.126 1.00 0.00 N ATOM 1159 CA ALA A 72 -5.737 -20.907 -7.793 1.00 0.00 C ATOM 1160 C ALA A 72 -4.725 -21.732 -7.004 1.00 0.00 C ATOM 1161 O ALA A 72 -4.228 -22.749 -7.485 1.00 0.00 O ATOM 1162 CB ALA A 72 -7.056 -21.673 -7.896 1.00 0.00 C ATOM 0 H ALA A 72 -5.658 -21.158 -9.875 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.907 -19.964 -7.273 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.432 -21.886 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.785 -21.070 -8.437 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.892 -22.610 -8.429 1.00 0.00 H new ATOM 1168 N VAL A 73 -4.421 -21.280 -5.793 1.00 0.00 N ATOM 1169 CA VAL A 73 -3.463 -21.980 -4.948 1.00 0.00 C ATOM 1170 C VAL A 73 -4.094 -23.222 -4.325 1.00 0.00 C ATOM 1171 O VAL A 73 -3.849 -24.343 -4.770 1.00 0.00 O ATOM 1172 CB VAL A 73 -2.962 -21.047 -3.842 1.00 0.00 C ATOM 1173 CG1 VAL A 73 -1.779 -21.694 -3.126 1.00 0.00 C ATOM 1174 CG2 VAL A 73 -2.502 -19.721 -4.449 1.00 0.00 C ATOM 0 H VAL A 73 -4.821 -20.439 -5.377 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.623 -22.292 -5.569 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.774 -20.867 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.423 -21.030 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.093 -22.641 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.976 -21.874 -3.840 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.147 -19.062 -3.657 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.694 -19.906 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.337 -19.249 -4.967 1.00 0.00 H new