USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 408 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 Single : A 1 GLY N :NH3+ 178:sc= 0 (180deg=-0.0047) USER MOD Single : A 6 SER OG : rot 180:sc= -0.369 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.982 K(o=-0.98,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -1.94! (180deg=-2.66!) USER MOD Single : A 22 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.24) USER MOD Single : A 24 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.14) USER MOD Single : A 26 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.093) USER MOD Single : A 27 MET CE :methyl -154:sc= -0.17 (180deg=-0.903) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= -0.028 (180deg=-0.203) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.87! C(o=-2.9!,f=-4.9!) USER MOD Single : A 48 GLN : amide:sc= -0.739 K(o=-0.74,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.188 3.402 15.626 1.00 0.00 N ATOM 2 CA GLY A 1 -19.652 3.948 14.321 1.00 0.00 C ATOM 3 C GLY A 1 -18.610 3.803 13.229 1.00 0.00 C ATOM 4 O GLY A 1 -18.373 4.734 12.460 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.922 3.555 16.347 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.004 2.383 15.530 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.314 3.886 15.914 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.564 3.434 14.019 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.905 5.002 14.440 1.00 0.00 H new ATOM 10 N ARG A 2 -17.987 2.630 13.163 1.00 0.00 N ATOM 11 CA ARG A 2 -16.965 2.363 12.157 1.00 0.00 C ATOM 12 C ARG A 2 -17.577 2.343 10.761 1.00 0.00 C ATOM 13 O ARG A 2 -18.056 1.309 10.298 1.00 0.00 O ATOM 14 CB ARG A 2 -16.277 1.026 12.447 1.00 0.00 C ATOM 15 CG ARG A 2 -14.921 0.874 11.776 1.00 0.00 C ATOM 16 CD ARG A 2 -13.897 1.825 12.374 1.00 0.00 C ATOM 17 NE ARG A 2 -12.561 1.614 11.823 1.00 0.00 N ATOM 18 CZ ARG A 2 -11.443 1.983 12.441 1.00 0.00 C ATOM 19 NH1 ARG A 2 -11.501 2.577 13.625 1.00 0.00 N ATOM 20 NH2 ARG A 2 -10.264 1.756 11.876 1.00 0.00 N ATOM 0 H ARG A 2 -18.172 1.850 13.794 1.00 0.00 H new ATOM 0 HA ARG A 2 -16.224 3.161 12.199 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -16.153 0.919 13.525 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -16.927 0.215 12.119 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -14.573 -0.153 11.884 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -15.018 1.067 10.708 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -14.207 2.853 12.188 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.868 1.691 13.455 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.481 1.158 10.914 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.405 2.752 14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.642 2.859 14.097 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.214 1.298 10.966 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.407 2.040 12.352 1.00 0.00 H new ATOM 34 N ARG A 3 -17.560 3.495 10.096 1.00 0.00 N ATOM 35 CA ARG A 3 -18.119 3.611 8.754 1.00 0.00 C ATOM 36 C ARG A 3 -17.016 3.618 7.699 1.00 0.00 C ATOM 37 O ARG A 3 -16.932 2.711 6.871 1.00 0.00 O ATOM 38 CB ARG A 3 -18.961 4.884 8.641 1.00 0.00 C ATOM 39 CG ARG A 3 -19.667 5.034 7.303 1.00 0.00 C ATOM 40 CD ARG A 3 -20.588 6.243 7.292 1.00 0.00 C ATOM 41 NE ARG A 3 -21.267 6.403 6.008 1.00 0.00 N ATOM 42 CZ ARG A 3 -22.368 7.130 5.840 1.00 0.00 C ATOM 43 NH1 ARG A 3 -22.918 7.759 6.870 1.00 0.00 N ATOM 44 NH2 ARG A 3 -22.921 7.227 4.639 1.00 0.00 N ATOM 0 H ARG A 3 -17.165 4.360 10.465 1.00 0.00 H new ATOM 0 HA ARG A 3 -18.756 2.744 8.576 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -19.706 4.888 9.437 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.318 5.749 8.801 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -18.927 5.132 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -20.244 4.134 7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -21.330 6.141 8.084 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -20.010 7.141 7.511 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.874 5.930 5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -22.497 7.686 7.796 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -23.762 8.315 6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.502 6.744 3.844 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -23.765 7.784 4.510 1.00 0.00 H new ATOM 58 N ARG A 4 -16.171 4.643 7.738 1.00 0.00 N ATOM 59 CA ARG A 4 -15.075 4.764 6.783 1.00 0.00 C ATOM 60 C ARG A 4 -13.910 3.868 7.189 1.00 0.00 C ATOM 61 O ARG A 4 -13.356 4.010 8.280 1.00 0.00 O ATOM 62 CB ARG A 4 -14.614 6.222 6.687 1.00 0.00 C ATOM 63 CG ARG A 4 -13.916 6.565 5.378 1.00 0.00 C ATOM 64 CD ARG A 4 -12.512 5.985 5.313 1.00 0.00 C ATOM 65 NE ARG A 4 -11.833 6.332 4.067 1.00 0.00 N ATOM 66 CZ ARG A 4 -10.521 6.220 3.883 1.00 0.00 C ATOM 67 NH1 ARG A 4 -9.747 5.774 4.863 1.00 0.00 N ATOM 68 NH2 ARG A 4 -9.982 6.553 2.718 1.00 0.00 N ATOM 0 H ARG A 4 -16.224 5.400 8.419 1.00 0.00 H new ATOM 0 HA ARG A 4 -15.433 4.444 5.804 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -15.479 6.875 6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -13.937 6.434 7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -14.504 6.185 4.543 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.866 7.648 5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.929 6.352 6.158 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.563 4.900 5.408 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.398 6.681 3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.158 5.516 5.760 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.741 5.689 4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.574 6.896 1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.975 6.466 2.579 1.00 0.00 H new ATOM 82 N ARG A 5 -13.545 2.944 6.304 1.00 0.00 N ATOM 83 CA ARG A 5 -12.446 2.024 6.572 1.00 0.00 C ATOM 84 C ARG A 5 -11.824 1.524 5.271 1.00 0.00 C ATOM 85 O ARG A 5 -10.633 1.723 5.025 1.00 0.00 O ATOM 86 CB ARG A 5 -12.940 0.837 7.404 1.00 0.00 C ATOM 87 CG ARG A 5 -11.840 -0.137 7.798 1.00 0.00 C ATOM 88 CD ARG A 5 -10.841 0.503 8.749 1.00 0.00 C ATOM 89 NE ARG A 5 -9.776 -0.423 9.126 1.00 0.00 N ATOM 90 CZ ARG A 5 -8.577 -0.036 9.548 1.00 0.00 C ATOM 91 NH1 ARG A 5 -8.286 1.256 9.640 1.00 0.00 N ATOM 92 NH2 ARG A 5 -7.664 -0.940 9.878 1.00 0.00 N ATOM 0 H ARG A 5 -13.994 2.813 5.397 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.683 2.562 7.134 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.420 1.213 8.307 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.702 0.301 6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.282 -1.015 8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.322 -0.483 6.904 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.406 1.385 8.278 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.360 0.843 9.645 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.963 -1.424 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -8.984 1.955 9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -7.365 1.549 9.964 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -7.882 -1.934 9.808 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.744 -0.641 10.202 1.00 0.00 H new ATOM 106 N SER A 6 -12.635 0.873 4.443 1.00 0.00 N ATOM 107 CA SER A 6 -12.164 0.342 3.168 1.00 0.00 C ATOM 108 C SER A 6 -13.092 0.756 2.031 1.00 0.00 C ATOM 109 O SER A 6 -14.312 0.772 2.187 1.00 0.00 O ATOM 110 CB SER A 6 -12.070 -1.184 3.233 1.00 0.00 C ATOM 111 OG SER A 6 -11.640 -1.721 1.993 1.00 0.00 O ATOM 0 H SER A 6 -13.622 0.700 4.632 1.00 0.00 H new ATOM 0 HA SER A 6 -11.174 0.754 2.974 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.375 -1.476 4.020 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.042 -1.601 3.496 1.00 0.00 H new ATOM 0 HG SER A 6 -11.586 -2.697 2.060 1.00 0.00 H new ATOM 117 N VAL A 7 -12.503 1.090 0.886 1.00 0.00 N ATOM 118 CA VAL A 7 -13.276 1.504 -0.278 1.00 0.00 C ATOM 119 C VAL A 7 -13.677 0.290 -1.117 1.00 0.00 C ATOM 120 O VAL A 7 -13.354 -0.847 -0.773 1.00 0.00 O ATOM 121 CB VAL A 7 -12.493 2.511 -1.149 1.00 0.00 C ATOM 122 CG1 VAL A 7 -13.431 3.537 -1.769 1.00 0.00 C ATOM 123 CG2 VAL A 7 -11.409 3.201 -0.332 1.00 0.00 C ATOM 0 H VAL A 7 -11.493 1.082 0.741 1.00 0.00 H new ATOM 0 HA VAL A 7 -14.176 1.999 0.086 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.014 1.957 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -12.856 4.235 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.164 3.028 -2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -13.946 4.084 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -10.870 3.906 -0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -11.866 3.736 0.500 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -10.714 2.455 0.054 1.00 0.00 H new ATOM 133 N GLN A 8 -14.379 0.538 -2.218 1.00 0.00 N ATOM 134 CA GLN A 8 -14.856 -0.532 -3.092 1.00 0.00 C ATOM 135 C GLN A 8 -13.813 -0.965 -4.120 1.00 0.00 C ATOM 136 O GLN A 8 -14.136 -1.174 -5.291 1.00 0.00 O ATOM 137 CB GLN A 8 -16.117 -0.066 -3.810 1.00 0.00 C ATOM 138 CG GLN A 8 -15.903 1.172 -4.664 1.00 0.00 C ATOM 139 CD GLN A 8 -17.168 1.632 -5.359 1.00 0.00 C ATOM 140 OE1 GLN A 8 -18.045 0.826 -5.675 1.00 0.00 O ATOM 141 NE2 GLN A 8 -17.270 2.932 -5.605 1.00 0.00 N ATOM 0 H GLN A 8 -14.632 1.476 -2.529 1.00 0.00 H new ATOM 0 HA GLN A 8 -15.065 -1.398 -2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -16.486 -0.874 -4.441 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -16.891 0.141 -3.071 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -15.524 1.979 -4.037 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -15.138 0.964 -5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.520 3.564 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -18.099 3.299 -6.073 1.00 0.00 H new ATOM 150 N TRP A 9 -12.570 -1.109 -3.687 1.00 0.00 N ATOM 151 CA TRP A 9 -11.500 -1.530 -4.585 1.00 0.00 C ATOM 152 C TRP A 9 -10.477 -2.398 -3.859 1.00 0.00 C ATOM 153 O TRP A 9 -10.761 -2.954 -2.798 1.00 0.00 O ATOM 154 CB TRP A 9 -10.822 -0.314 -5.225 1.00 0.00 C ATOM 155 CG TRP A 9 -10.208 0.635 -4.240 1.00 0.00 C ATOM 156 CD1 TRP A 9 -10.281 0.576 -2.880 1.00 0.00 C ATOM 157 CD2 TRP A 9 -9.426 1.791 -4.549 1.00 0.00 C ATOM 158 NE1 TRP A 9 -9.598 1.629 -2.324 1.00 0.00 N ATOM 159 CE2 TRP A 9 -9.060 2.389 -3.330 1.00 0.00 C ATOM 160 CE3 TRP A 9 -9.000 2.376 -5.743 1.00 0.00 C ATOM 161 CZ2 TRP A 9 -8.289 3.546 -3.272 1.00 0.00 C ATOM 162 CZ3 TRP A 9 -8.233 3.525 -5.685 1.00 0.00 C ATOM 163 CH2 TRP A 9 -7.883 4.099 -4.457 1.00 0.00 C ATOM 0 H TRP A 9 -12.276 -0.942 -2.725 1.00 0.00 H new ATOM 0 HA TRP A 9 -11.946 -2.133 -5.376 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.048 -0.662 -5.909 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -11.557 0.225 -5.823 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -10.801 -0.188 -2.321 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -9.506 1.815 -1.325 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -9.265 1.939 -6.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -8.020 3.992 -2.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.898 3.987 -6.602 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -7.281 4.996 -4.444 1.00 0.00 H new ATOM 174 N CYS A 10 -9.284 -2.510 -4.437 1.00 0.00 N ATOM 175 CA CYS A 10 -8.222 -3.319 -3.855 1.00 0.00 C ATOM 176 C CYS A 10 -7.077 -2.449 -3.343 1.00 0.00 C ATOM 177 O CYS A 10 -6.213 -2.919 -2.602 1.00 0.00 O ATOM 178 CB CYS A 10 -7.693 -4.301 -4.898 1.00 0.00 C ATOM 179 SG CYS A 10 -8.977 -5.358 -5.640 1.00 0.00 S ATOM 0 H CYS A 10 -9.030 -2.048 -5.310 1.00 0.00 H new ATOM 0 HA CYS A 10 -8.638 -3.865 -3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.196 -3.741 -5.690 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.938 -4.936 -4.434 1.00 0.00 H new ATOM 184 N ALA A 11 -7.073 -1.180 -3.740 1.00 0.00 N ATOM 185 CA ALA A 11 -6.026 -0.253 -3.326 1.00 0.00 C ATOM 186 C ALA A 11 -6.279 0.291 -1.924 1.00 0.00 C ATOM 187 O ALA A 11 -5.712 1.312 -1.533 1.00 0.00 O ATOM 188 CB ALA A 11 -5.905 0.889 -4.324 1.00 0.00 C ATOM 0 H ALA A 11 -7.783 -0.771 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.086 -0.804 -3.302 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.120 1.572 -4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.656 0.489 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.852 1.425 -4.380 1.00 0.00 H new ATOM 194 N VAL A 12 -7.137 -0.392 -1.170 1.00 0.00 N ATOM 195 CA VAL A 12 -7.455 0.024 0.191 1.00 0.00 C ATOM 196 C VAL A 12 -6.193 0.111 1.045 1.00 0.00 C ATOM 197 O VAL A 12 -6.081 0.968 1.922 1.00 0.00 O ATOM 198 CB VAL A 12 -8.454 -0.944 0.859 1.00 0.00 C ATOM 199 CG1 VAL A 12 -7.913 -2.366 0.846 1.00 0.00 C ATOM 200 CG2 VAL A 12 -8.766 -0.498 2.281 1.00 0.00 C ATOM 0 H VAL A 12 -7.623 -1.234 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.913 1.011 0.123 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.381 -0.927 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.632 -3.033 1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.749 -2.684 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.970 -2.401 1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.472 -1.194 2.734 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.847 -0.481 2.867 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.203 0.501 2.262 1.00 0.00 H new ATOM 210 N SER A 13 -5.245 -0.782 0.779 1.00 0.00 N ATOM 211 CA SER A 13 -3.988 -0.810 1.519 1.00 0.00 C ATOM 212 C SER A 13 -2.809 -1.035 0.576 1.00 0.00 C ATOM 213 O SER A 13 -2.091 -2.029 0.688 1.00 0.00 O ATOM 214 CB SER A 13 -4.023 -1.907 2.586 1.00 0.00 C ATOM 215 OG SER A 13 -5.071 -1.683 3.514 1.00 0.00 O ATOM 0 H SER A 13 -5.324 -1.497 0.056 1.00 0.00 H new ATOM 0 HA SER A 13 -3.860 0.156 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.157 -2.878 2.109 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.068 -1.938 3.111 1.00 0.00 H new ATOM 0 HG SER A 13 -5.073 -2.398 4.184 1.00 0.00 H new ATOM 221 N GLN A 14 -2.619 -0.105 -0.356 1.00 0.00 N ATOM 222 CA GLN A 14 -1.528 -0.200 -1.320 1.00 0.00 C ATOM 223 C GLN A 14 -0.838 1.153 -1.494 1.00 0.00 C ATOM 224 O GLN A 14 -1.107 1.877 -2.453 1.00 0.00 O ATOM 225 CB GLN A 14 -2.059 -0.697 -2.667 1.00 0.00 C ATOM 226 CG GLN A 14 -0.964 -1.059 -3.657 1.00 0.00 C ATOM 227 CD GLN A 14 -1.513 -1.575 -4.973 1.00 0.00 C ATOM 228 OE1 GLN A 14 -0.895 -2.413 -5.629 1.00 0.00 O ATOM 229 NE2 GLN A 14 -2.676 -1.070 -5.371 1.00 0.00 N ATOM 0 H GLN A 14 -3.206 0.722 -0.464 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.795 -0.912 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.689 -1.571 -2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.693 0.074 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.345 -0.182 -3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.317 -1.817 -3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.155 -0.377 -4.796 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.090 -1.376 -6.252 1.00 0.00 H new ATOM 238 N PRO A 15 0.065 1.513 -0.561 1.00 0.00 N ATOM 239 CA PRO A 15 0.792 2.787 -0.611 1.00 0.00 C ATOM 240 C PRO A 15 1.805 2.844 -1.750 1.00 0.00 C ATOM 241 O PRO A 15 2.310 3.915 -2.090 1.00 0.00 O ATOM 242 CB PRO A 15 1.508 2.842 0.741 1.00 0.00 C ATOM 243 CG PRO A 15 1.654 1.417 1.152 1.00 0.00 C ATOM 244 CD PRO A 15 0.444 0.706 0.616 1.00 0.00 C ATOM 0 HA PRO A 15 0.120 3.626 -0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.479 3.330 0.655 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.930 3.407 1.472 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.570 0.986 0.748 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.711 1.328 2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.672 -0.324 0.340 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.359 0.668 1.352 1.00 0.00 H new ATOM 252 N GLU A 16 2.102 1.688 -2.337 1.00 0.00 N ATOM 253 CA GLU A 16 3.057 1.613 -3.438 1.00 0.00 C ATOM 254 C GLU A 16 2.763 0.406 -4.324 1.00 0.00 C ATOM 255 O GLU A 16 2.132 -0.556 -3.886 1.00 0.00 O ATOM 256 CB GLU A 16 4.485 1.530 -2.892 1.00 0.00 C ATOM 257 CG GLU A 16 5.556 1.807 -3.935 1.00 0.00 C ATOM 258 CD GLU A 16 5.515 3.231 -4.456 1.00 0.00 C ATOM 259 OE1 GLU A 16 4.830 4.072 -3.838 1.00 0.00 O ATOM 260 OE2 GLU A 16 6.170 3.505 -5.484 1.00 0.00 O ATOM 0 H GLU A 16 1.696 0.792 -2.069 1.00 0.00 H new ATOM 0 HA GLU A 16 2.960 2.516 -4.041 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.594 2.243 -2.074 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.647 0.537 -2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.537 1.611 -3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.432 1.116 -4.769 1.00 0.00 H new ATOM 267 N ALA A 17 3.221 0.460 -5.572 1.00 0.00 N ATOM 268 CA ALA A 17 2.995 -0.633 -6.514 1.00 0.00 C ATOM 269 C ALA A 17 4.296 -1.087 -7.169 1.00 0.00 C ATOM 270 O ALA A 17 4.352 -1.296 -8.381 1.00 0.00 O ATOM 271 CB ALA A 17 1.986 -0.213 -7.573 1.00 0.00 C ATOM 0 H ALA A 17 3.749 1.245 -5.953 1.00 0.00 H new ATOM 0 HA ALA A 17 2.594 -1.479 -5.955 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.826 -1.036 -8.270 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.042 0.046 -7.094 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.367 0.652 -8.115 1.00 0.00 H new ATOM 277 N THR A 18 5.341 -1.241 -6.362 1.00 0.00 N ATOM 278 CA THR A 18 6.638 -1.681 -6.868 1.00 0.00 C ATOM 279 C THR A 18 7.229 -2.764 -5.973 1.00 0.00 C ATOM 280 O THR A 18 7.987 -3.618 -6.433 1.00 0.00 O ATOM 281 CB THR A 18 7.637 -0.510 -6.969 1.00 0.00 C ATOM 282 OG1 THR A 18 8.768 -0.902 -7.757 1.00 0.00 O ATOM 283 CG2 THR A 18 8.107 -0.074 -5.587 1.00 0.00 C ATOM 0 H THR A 18 5.316 -1.068 -5.357 1.00 0.00 H new ATOM 0 HA THR A 18 6.469 -2.084 -7.867 1.00 0.00 H new ATOM 0 HB THR A 18 7.131 0.330 -7.445 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.398 -0.154 -7.819 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.810 0.753 -5.686 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.250 0.248 -4.996 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.598 -0.910 -5.089 1.00 0.00 H new ATOM 291 N LYS A 19 6.877 -2.717 -4.693 1.00 0.00 N ATOM 292 CA LYS A 19 7.369 -3.692 -3.729 1.00 0.00 C ATOM 293 C LYS A 19 6.851 -5.084 -4.052 1.00 0.00 C ATOM 294 O LYS A 19 7.438 -6.081 -3.640 1.00 0.00 O ATOM 295 CB LYS A 19 6.945 -3.303 -2.311 1.00 0.00 C ATOM 296 CG LYS A 19 7.204 -4.395 -1.285 1.00 0.00 C ATOM 297 CD LYS A 19 5.939 -5.181 -0.961 1.00 0.00 C ATOM 298 CE LYS A 19 5.062 -4.453 0.047 1.00 0.00 C ATOM 299 NZ LYS A 19 4.520 -3.177 -0.495 1.00 0.00 N ATOM 0 H LYS A 19 6.252 -2.013 -4.299 1.00 0.00 H new ATOM 0 HA LYS A 19 8.457 -3.701 -3.789 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.480 -2.401 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.883 -3.059 -2.311 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.967 -5.075 -1.663 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.598 -3.949 -0.372 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.374 -5.353 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.211 -6.160 -0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.236 -5.100 0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.641 -4.246 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.730 -2.855 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.269 -2.455 -0.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.182 -3.329 -1.467 1.00 0.00 H new ATOM 313 N CYS A 20 5.748 -5.138 -4.789 1.00 0.00 N ATOM 314 CA CYS A 20 5.129 -6.404 -5.167 1.00 0.00 C ATOM 315 C CYS A 20 6.170 -7.417 -5.636 1.00 0.00 C ATOM 316 O CYS A 20 6.484 -7.503 -6.824 1.00 0.00 O ATOM 317 CB CYS A 20 4.090 -6.178 -6.266 1.00 0.00 C ATOM 318 SG CYS A 20 3.260 -7.701 -6.823 1.00 0.00 S ATOM 0 H CYS A 20 5.260 -4.313 -5.139 1.00 0.00 H new ATOM 0 HA CYS A 20 4.637 -6.810 -4.283 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.338 -5.478 -5.902 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.576 -5.708 -7.121 1.00 0.00 H new ATOM 323 N PHE A 21 6.702 -8.180 -4.684 1.00 0.00 N ATOM 324 CA PHE A 21 7.702 -9.196 -4.978 1.00 0.00 C ATOM 325 C PHE A 21 7.492 -10.407 -4.069 1.00 0.00 C ATOM 326 O PHE A 21 7.444 -11.544 -4.539 1.00 0.00 O ATOM 327 CB PHE A 21 9.119 -8.609 -4.842 1.00 0.00 C ATOM 328 CG PHE A 21 9.782 -8.822 -3.508 1.00 0.00 C ATOM 329 CD1 PHE A 21 9.605 -7.915 -2.475 1.00 0.00 C ATOM 330 CD2 PHE A 21 10.592 -9.927 -3.291 1.00 0.00 C ATOM 331 CE1 PHE A 21 10.220 -8.107 -1.253 1.00 0.00 C ATOM 332 CE2 PHE A 21 11.209 -10.123 -2.070 1.00 0.00 C ATOM 333 CZ PHE A 21 11.023 -9.211 -1.050 1.00 0.00 C ATOM 0 H PHE A 21 6.453 -8.111 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 21 7.590 -9.531 -6.009 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.750 -9.046 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.070 -7.538 -5.037 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.979 -7.048 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.742 -10.643 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.072 -7.393 -0.456 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.836 -10.988 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.505 -9.361 -0.095 1.00 0.00 H new ATOM 343 N GLN A 22 7.370 -10.157 -2.767 1.00 0.00 N ATOM 344 CA GLN A 22 7.123 -11.224 -1.806 1.00 0.00 C ATOM 345 C GLN A 22 6.246 -10.729 -0.671 1.00 0.00 C ATOM 346 O GLN A 22 6.518 -9.701 -0.050 1.00 0.00 O ATOM 347 CB GLN A 22 8.407 -11.802 -1.239 1.00 0.00 C ATOM 348 CG GLN A 22 8.167 -13.075 -0.440 1.00 0.00 C ATOM 349 CD GLN A 22 9.382 -13.980 -0.398 1.00 0.00 C ATOM 350 OE1 GLN A 22 10.521 -13.514 -0.450 1.00 0.00 O ATOM 351 NE2 GLN A 22 9.148 -15.284 -0.305 1.00 0.00 N ATOM 0 H GLN A 22 7.438 -9.226 -2.356 1.00 0.00 H new ATOM 0 HA GLN A 22 6.610 -12.019 -2.348 1.00 0.00 H new ATOM 0 HB2 GLN A 22 9.098 -12.013 -2.055 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.885 -11.060 -0.600 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.881 -12.811 0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.329 -13.619 -0.876 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.189 -15.628 -0.264 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.928 -15.941 -0.274 1.00 0.00 H new ATOM 360 N TRP A 23 5.193 -11.480 -0.415 1.00 0.00 N ATOM 361 CA TRP A 23 4.220 -11.150 0.613 1.00 0.00 C ATOM 362 C TRP A 23 3.707 -12.435 1.244 1.00 0.00 C ATOM 363 O TRP A 23 4.236 -12.911 2.249 1.00 0.00 O ATOM 364 CB TRP A 23 3.069 -10.381 -0.043 1.00 0.00 C ATOM 365 CG TRP A 23 3.371 -10.056 -1.467 1.00 0.00 C ATOM 366 CD1 TRP A 23 4.039 -8.974 -1.942 1.00 0.00 C ATOM 367 CD2 TRP A 23 3.067 -10.868 -2.594 1.00 0.00 C ATOM 368 NE1 TRP A 23 4.155 -9.052 -3.305 1.00 0.00 N ATOM 369 CE2 TRP A 23 3.566 -10.211 -3.729 1.00 0.00 C ATOM 370 CE3 TRP A 23 2.414 -12.087 -2.751 1.00 0.00 C ATOM 371 CZ2 TRP A 23 3.437 -10.737 -5.004 1.00 0.00 C ATOM 372 CZ3 TRP A 23 2.288 -12.610 -4.017 1.00 0.00 C ATOM 373 CH2 TRP A 23 2.799 -11.939 -5.129 1.00 0.00 C ATOM 0 H TRP A 23 4.985 -12.343 -0.917 1.00 0.00 H new ATOM 0 HA TRP A 23 4.673 -10.535 1.391 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.156 -10.975 0.010 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.883 -9.460 0.510 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.423 -8.169 -1.334 1.00 0.00 H new ATOM 0 HE1 TRP A 23 4.606 -8.360 -3.904 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.014 -12.612 -1.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 3.826 -10.217 -5.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.785 -13.556 -4.153 1.00 0.00 H new ATOM 0 HH2 TRP A 23 2.688 -12.379 -6.109 1.00 0.00 H new ATOM 384 N GLN A 24 2.667 -12.982 0.635 1.00 0.00 N ATOM 385 CA GLN A 24 2.074 -14.226 1.073 1.00 0.00 C ATOM 386 C GLN A 24 1.539 -14.980 -0.138 1.00 0.00 C ATOM 387 O GLN A 24 0.963 -14.382 -1.046 1.00 0.00 O ATOM 388 CB GLN A 24 0.959 -13.973 2.091 1.00 0.00 C ATOM 389 CG GLN A 24 -0.086 -12.977 1.623 1.00 0.00 C ATOM 390 CD GLN A 24 -1.180 -12.749 2.650 1.00 0.00 C ATOM 391 OE1 GLN A 24 -1.747 -11.659 2.737 1.00 0.00 O ATOM 392 NE2 GLN A 24 -1.485 -13.777 3.433 1.00 0.00 N ATOM 0 H GLN A 24 2.212 -12.570 -0.180 1.00 0.00 H new ATOM 0 HA GLN A 24 2.836 -14.830 1.566 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.468 -14.919 2.320 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.402 -13.611 3.018 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.399 -12.027 1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.533 -13.335 0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.990 -14.663 3.327 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.214 -13.681 4.140 1.00 0.00 H new ATOM 401 N ARG A 25 1.757 -16.288 -0.147 1.00 0.00 N ATOM 402 CA ARG A 25 1.303 -17.154 -1.236 1.00 0.00 C ATOM 403 C ARG A 25 -0.123 -16.821 -1.670 1.00 0.00 C ATOM 404 O ARG A 25 -0.541 -17.175 -2.771 1.00 0.00 O ATOM 405 CB ARG A 25 1.358 -18.609 -0.777 1.00 0.00 C ATOM 406 CG ARG A 25 0.554 -18.855 0.489 1.00 0.00 C ATOM 407 CD ARG A 25 -0.836 -19.384 0.184 1.00 0.00 C ATOM 408 NE ARG A 25 -1.835 -18.828 1.091 1.00 0.00 N ATOM 409 CZ ARG A 25 -2.802 -19.546 1.654 1.00 0.00 C ATOM 410 NH1 ARG A 25 -2.900 -20.846 1.403 1.00 0.00 N ATOM 411 NH2 ARG A 25 -3.675 -18.967 2.467 1.00 0.00 N ATOM 0 H ARG A 25 2.252 -16.781 0.596 1.00 0.00 H new ATOM 0 HA ARG A 25 1.962 -16.993 -2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.981 -19.251 -1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.396 -18.892 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.083 -19.568 1.122 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.473 -17.926 1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.101 -19.139 -0.844 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.837 -20.471 0.263 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.789 -17.832 1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.232 -21.296 0.777 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.643 -21.394 1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.606 -17.968 2.662 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.416 -19.520 2.897 1.00 0.00 H new ATOM 425 N ASN A 26 -0.868 -16.158 -0.795 1.00 0.00 N ATOM 426 CA ASN A 26 -2.240 -15.776 -1.098 1.00 0.00 C ATOM 427 C ASN A 26 -2.507 -14.342 -0.656 1.00 0.00 C ATOM 428 O ASN A 26 -3.309 -14.098 0.245 1.00 0.00 O ATOM 429 CB ASN A 26 -3.227 -16.725 -0.416 1.00 0.00 C ATOM 430 CG ASN A 26 -4.647 -16.529 -0.903 1.00 0.00 C ATOM 431 OD1 ASN A 26 -5.606 -16.707 -0.152 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.787 -16.166 -2.172 1.00 0.00 N ATOM 0 H ASN A 26 -0.545 -15.874 0.130 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.379 -15.842 -2.177 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.922 -17.755 -0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.191 -16.569 0.662 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.719 -16.023 -2.562 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.963 -16.030 -2.757 1.00 0.00 H new ATOM 439 N MET A 27 -1.826 -13.394 -1.295 1.00 0.00 N ATOM 440 CA MET A 27 -1.995 -11.987 -0.962 1.00 0.00 C ATOM 441 C MET A 27 -3.399 -11.519 -1.331 1.00 0.00 C ATOM 442 O MET A 27 -4.094 -10.906 -0.522 1.00 0.00 O ATOM 443 CB MET A 27 -0.944 -11.133 -1.682 1.00 0.00 C ATOM 444 CG MET A 27 -0.872 -9.696 -1.186 1.00 0.00 C ATOM 445 SD MET A 27 -2.198 -8.661 -1.838 1.00 0.00 S ATOM 446 CE MET A 27 -1.796 -8.656 -3.584 1.00 0.00 C ATOM 0 H MET A 27 -1.156 -13.576 -2.042 1.00 0.00 H new ATOM 0 HA MET A 27 -1.859 -11.869 0.113 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.034 -11.599 -1.560 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.164 -11.128 -2.750 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.916 -9.690 -0.097 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.089 -9.267 -1.469 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.189 -7.750 -4.045 1.00 0.00 H new ATOM 0 HE2 MET A 27 -0.714 -8.686 -3.708 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.240 -9.529 -4.062 1.00 0.00 H new ATOM 456 N ARG A 28 -3.803 -11.815 -2.561 1.00 0.00 N ATOM 457 CA ARG A 28 -5.124 -11.438 -3.046 1.00 0.00 C ATOM 458 C ARG A 28 -5.701 -12.548 -3.917 1.00 0.00 C ATOM 459 O ARG A 28 -6.690 -13.186 -3.556 1.00 0.00 O ATOM 460 CB ARG A 28 -5.053 -10.133 -3.842 1.00 0.00 C ATOM 461 CG ARG A 28 -6.413 -9.624 -4.293 1.00 0.00 C ATOM 462 CD ARG A 28 -6.488 -9.486 -5.806 1.00 0.00 C ATOM 463 NE ARG A 28 -5.607 -8.436 -6.309 1.00 0.00 N ATOM 464 CZ ARG A 28 -5.476 -8.136 -7.599 1.00 0.00 C ATOM 465 NH1 ARG A 28 -6.158 -8.812 -8.515 1.00 0.00 N ATOM 466 NH2 ARG A 28 -4.662 -7.159 -7.974 1.00 0.00 N ATOM 0 H ARG A 28 -3.232 -12.316 -3.242 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.776 -11.286 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.572 -9.369 -3.231 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.422 -10.284 -4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.189 -10.308 -3.951 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.612 -8.658 -3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.220 -10.436 -6.269 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.515 -9.267 -6.099 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.061 -7.902 -5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.785 -9.565 -8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.055 -8.579 -9.503 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.136 -6.637 -7.274 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.562 -6.930 -8.963 1.00 0.00 H new ATOM 480 N LYS A 29 -5.071 -12.771 -5.065 1.00 0.00 N ATOM 481 CA LYS A 29 -5.508 -13.804 -5.993 1.00 0.00 C ATOM 482 C LYS A 29 -4.315 -14.415 -6.719 1.00 0.00 C ATOM 483 O LYS A 29 -4.450 -14.948 -7.821 1.00 0.00 O ATOM 484 CB LYS A 29 -6.492 -13.220 -7.006 1.00 0.00 C ATOM 485 CG LYS A 29 -7.821 -12.804 -6.395 1.00 0.00 C ATOM 486 CD LYS A 29 -8.628 -14.008 -5.937 1.00 0.00 C ATOM 487 CE LYS A 29 -9.949 -13.586 -5.314 1.00 0.00 C ATOM 488 NZ LYS A 29 -10.742 -14.757 -4.846 1.00 0.00 N ATOM 0 H LYS A 29 -4.253 -12.247 -5.375 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.006 -14.588 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.035 -12.354 -7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.676 -13.957 -7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.641 -12.142 -5.548 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.396 -12.236 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.818 -14.665 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.049 -14.582 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.757 -12.918 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.530 -13.022 -6.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.635 -14.427 -4.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.947 -15.382 -5.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.198 -15.281 -4.131 1.00 0.00 H new ATOM 502 N VAL A 30 -3.144 -14.334 -6.093 1.00 0.00 N ATOM 503 CA VAL A 30 -1.928 -14.876 -6.675 1.00 0.00 C ATOM 504 C VAL A 30 -1.930 -16.401 -6.614 1.00 0.00 C ATOM 505 O VAL A 30 -2.779 -17.004 -5.958 1.00 0.00 O ATOM 506 CB VAL A 30 -0.672 -14.327 -5.965 1.00 0.00 C ATOM 507 CG1 VAL A 30 -0.584 -12.816 -6.127 1.00 0.00 C ATOM 508 CG2 VAL A 30 -0.676 -14.705 -4.493 1.00 0.00 C ATOM 0 H VAL A 30 -3.015 -13.896 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.900 -14.562 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 30 0.205 -14.776 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.308 -12.447 -5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.528 -12.566 -7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.468 -12.351 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.218 -14.308 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.561 -14.288 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.688 -15.791 -4.396 1.00 0.00 H new ATOM 518 N ARG A 31 -0.978 -17.015 -7.303 1.00 0.00 N ATOM 519 CA ARG A 31 -0.874 -18.473 -7.340 1.00 0.00 C ATOM 520 C ARG A 31 -0.300 -19.027 -6.032 1.00 0.00 C ATOM 521 O ARG A 31 -0.749 -18.654 -4.949 1.00 0.00 O ATOM 522 CB ARG A 31 -0.019 -18.907 -8.535 1.00 0.00 C ATOM 523 CG ARG A 31 1.329 -18.208 -8.614 1.00 0.00 C ATOM 524 CD ARG A 31 2.133 -18.687 -9.811 1.00 0.00 C ATOM 525 NE ARG A 31 3.400 -17.973 -9.941 1.00 0.00 N ATOM 526 CZ ARG A 31 4.291 -18.217 -10.897 1.00 0.00 C ATOM 527 NH1 ARG A 31 4.056 -19.156 -11.805 1.00 0.00 N ATOM 528 NH2 ARG A 31 5.419 -17.522 -10.947 1.00 0.00 N ATOM 0 H ARG A 31 -0.264 -16.528 -7.846 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.877 -18.883 -7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.144 -19.983 -8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.572 -18.714 -9.454 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.178 -17.131 -8.683 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.891 -18.394 -7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.327 -19.755 -9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.546 -18.552 -10.719 1.00 0.00 H new ATOM 0 HE ARG A 31 3.614 -17.245 -9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.190 -19.693 -11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.742 -19.341 -12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.604 -16.799 -10.251 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.102 -17.710 -11.681 1.00 0.00 H new ATOM 542 N GLY A 32 0.679 -19.930 -6.139 1.00 0.00 N ATOM 543 CA GLY A 32 1.288 -20.519 -4.955 1.00 0.00 C ATOM 544 C GLY A 32 2.035 -19.497 -4.111 1.00 0.00 C ATOM 545 O GLY A 32 1.507 -18.418 -3.852 1.00 0.00 O ATOM 0 H GLY A 32 1.060 -20.263 -7.025 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.514 -20.989 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.977 -21.307 -5.259 1.00 0.00 H new ATOM 549 N PRO A 33 3.275 -19.804 -3.667 1.00 0.00 N ATOM 550 CA PRO A 33 4.075 -18.886 -2.848 1.00 0.00 C ATOM 551 C PRO A 33 4.035 -17.460 -3.393 1.00 0.00 C ATOM 552 O PRO A 33 3.748 -17.257 -4.573 1.00 0.00 O ATOM 553 CB PRO A 33 5.501 -19.461 -2.930 1.00 0.00 C ATOM 554 CG PRO A 33 5.434 -20.599 -3.901 1.00 0.00 C ATOM 555 CD PRO A 33 4.003 -21.049 -3.932 1.00 0.00 C ATOM 0 HA PRO A 33 3.701 -18.817 -1.827 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.208 -18.703 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 33 5.841 -19.802 -1.952 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.763 -20.284 -4.891 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.090 -21.413 -3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.733 -21.480 -4.896 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.799 -21.807 -3.176 1.00 0.00 H new ATOM 563 N PRO A 34 4.331 -16.447 -2.556 1.00 0.00 N ATOM 564 CA PRO A 34 4.299 -15.054 -2.996 1.00 0.00 C ATOM 565 C PRO A 34 5.327 -14.802 -4.078 1.00 0.00 C ATOM 566 O PRO A 34 6.503 -15.129 -3.922 1.00 0.00 O ATOM 567 CB PRO A 34 4.612 -14.259 -1.733 1.00 0.00 C ATOM 568 CG PRO A 34 5.357 -15.212 -0.871 1.00 0.00 C ATOM 569 CD PRO A 34 4.760 -16.566 -1.151 1.00 0.00 C ATOM 0 HA PRO A 34 3.341 -14.773 -3.434 1.00 0.00 H new ATOM 0 HB2 PRO A 34 5.210 -13.376 -1.958 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.701 -13.912 -1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.422 -15.198 -1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.256 -14.949 0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.489 -17.365 -1.017 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.922 -16.784 -0.489 1.00 0.00 H new ATOM 577 N VAL A 35 4.876 -14.211 -5.169 1.00 0.00 N ATOM 578 CA VAL A 35 5.748 -13.958 -6.308 1.00 0.00 C ATOM 579 C VAL A 35 5.386 -12.661 -7.032 1.00 0.00 C ATOM 580 O VAL A 35 6.068 -11.647 -6.882 1.00 0.00 O ATOM 581 CB VAL A 35 5.691 -15.150 -7.289 1.00 0.00 C ATOM 582 CG1 VAL A 35 6.215 -14.766 -8.668 1.00 0.00 C ATOM 583 CG2 VAL A 35 6.476 -16.330 -6.737 1.00 0.00 C ATOM 0 H VAL A 35 3.914 -13.897 -5.293 1.00 0.00 H new ATOM 0 HA VAL A 35 6.763 -13.845 -5.928 1.00 0.00 H new ATOM 0 HB VAL A 35 4.646 -15.439 -7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.160 -15.629 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.609 -13.956 -9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.251 -14.438 -8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.426 -17.161 -7.440 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.517 -16.039 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.049 -16.636 -5.782 1.00 0.00 H new ATOM 593 N SER A 36 4.311 -12.699 -7.817 1.00 0.00 N ATOM 594 CA SER A 36 3.875 -11.528 -8.571 1.00 0.00 C ATOM 595 C SER A 36 2.411 -11.212 -8.294 1.00 0.00 C ATOM 596 O SER A 36 1.602 -12.112 -8.073 1.00 0.00 O ATOM 597 CB SER A 36 4.085 -11.753 -10.069 1.00 0.00 C ATOM 598 OG SER A 36 3.326 -12.857 -10.530 1.00 0.00 O ATOM 0 H SER A 36 3.728 -13.526 -7.947 1.00 0.00 H new ATOM 0 HA SER A 36 4.477 -10.678 -8.249 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.799 -10.856 -10.618 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.142 -11.926 -10.269 1.00 0.00 H new ATOM 0 HG SER A 36 3.476 -12.979 -11.491 1.00 0.00 H new ATOM 604 N CYS A 37 2.080 -9.926 -8.316 1.00 0.00 N ATOM 605 CA CYS A 37 0.715 -9.481 -8.065 1.00 0.00 C ATOM 606 C CYS A 37 0.353 -8.311 -8.975 1.00 0.00 C ATOM 607 O CYS A 37 -0.609 -7.588 -8.721 1.00 0.00 O ATOM 608 CB CYS A 37 0.553 -9.066 -6.600 1.00 0.00 C ATOM 609 SG CYS A 37 1.345 -7.478 -6.181 1.00 0.00 S ATOM 0 H CYS A 37 2.740 -9.172 -8.506 1.00 0.00 H new ATOM 0 HA CYS A 37 0.042 -10.312 -8.278 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.510 -9.001 -6.368 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.971 -9.847 -5.965 1.00 0.00 H new ATOM 614 N ILE A 38 1.134 -8.135 -10.036 1.00 0.00 N ATOM 615 CA ILE A 38 0.902 -7.051 -10.983 1.00 0.00 C ATOM 616 C ILE A 38 -0.149 -7.445 -12.015 1.00 0.00 C ATOM 617 O ILE A 38 -0.399 -6.713 -12.972 1.00 0.00 O ATOM 618 CB ILE A 38 2.199 -6.647 -11.717 1.00 0.00 C ATOM 619 CG1 ILE A 38 3.407 -6.749 -10.781 1.00 0.00 C ATOM 620 CG2 ILE A 38 2.079 -5.236 -12.272 1.00 0.00 C ATOM 621 CD1 ILE A 38 4.104 -8.091 -10.834 1.00 0.00 C ATOM 0 H ILE A 38 1.932 -8.729 -10.261 1.00 0.00 H new ATOM 0 HA ILE A 38 0.545 -6.199 -10.404 1.00 0.00 H new ATOM 0 HB ILE A 38 2.349 -7.337 -12.547 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.122 -5.967 -11.038 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.081 -6.559 -9.759 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.002 -4.968 -12.786 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.246 -5.191 -12.974 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.903 -4.537 -11.454 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.949 -8.090 -10.146 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.404 -8.876 -10.548 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.462 -8.276 -11.847 1.00 0.00 H new ATOM 633 N LYS A 39 -0.759 -8.610 -11.816 1.00 0.00 N ATOM 634 CA LYS A 39 -1.783 -9.103 -12.730 1.00 0.00 C ATOM 635 C LYS A 39 -3.014 -8.201 -12.707 1.00 0.00 C ATOM 636 O LYS A 39 -3.988 -8.475 -12.006 1.00 0.00 O ATOM 637 CB LYS A 39 -2.176 -10.538 -12.368 1.00 0.00 C ATOM 638 CG LYS A 39 -0.993 -11.489 -12.258 1.00 0.00 C ATOM 639 CD LYS A 39 -0.218 -11.577 -13.563 1.00 0.00 C ATOM 640 CE LYS A 39 0.957 -12.537 -13.452 1.00 0.00 C ATOM 641 NZ LYS A 39 0.512 -13.930 -13.177 1.00 0.00 N ATOM 0 H LYS A 39 -0.562 -9.230 -11.030 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.369 -9.094 -13.738 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.713 -10.530 -11.419 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.866 -10.917 -13.122 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.328 -11.152 -11.462 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.348 -12.481 -11.978 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.884 -11.906 -14.361 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.145 -10.587 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.532 -12.516 -14.378 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.623 -12.205 -12.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.307 -14.584 -13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.184 -14.002 -12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.266 -14.179 -13.820 1.00 0.00 H new ATOM 655 N ARG A 40 -2.957 -7.122 -13.483 1.00 0.00 N ATOM 656 CA ARG A 40 -4.060 -6.171 -13.561 1.00 0.00 C ATOM 657 C ARG A 40 -4.484 -5.961 -15.011 1.00 0.00 C ATOM 658 O ARG A 40 -4.220 -6.800 -15.871 1.00 0.00 O ATOM 659 CB ARG A 40 -3.649 -4.836 -12.937 1.00 0.00 C ATOM 660 CG ARG A 40 -3.244 -4.945 -11.476 1.00 0.00 C ATOM 661 CD ARG A 40 -2.671 -3.637 -10.955 1.00 0.00 C ATOM 662 NE ARG A 40 -1.418 -3.287 -11.616 1.00 0.00 N ATOM 663 CZ ARG A 40 -0.788 -2.129 -11.439 1.00 0.00 C ATOM 664 NH1 ARG A 40 -1.300 -1.208 -10.632 1.00 0.00 N ATOM 665 NH2 ARG A 40 0.355 -1.889 -12.068 1.00 0.00 N ATOM 0 H ARG A 40 -2.156 -6.885 -14.068 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.906 -6.577 -13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.817 -4.420 -13.506 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.478 -4.134 -13.024 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.110 -5.227 -10.878 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.505 -5.738 -11.361 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.396 -2.838 -11.107 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.504 -3.717 -9.881 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.002 -3.969 -12.250 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.179 -1.387 -10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.815 -0.321 -10.498 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.753 -2.593 -12.689 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.836 -1.000 -11.930 1.00 0.00 H new ATOM 679 N ASP A 41 -5.142 -4.836 -15.275 1.00 0.00 N ATOM 680 CA ASP A 41 -5.602 -4.517 -16.614 1.00 0.00 C ATOM 681 C ASP A 41 -5.266 -3.074 -16.963 1.00 0.00 C ATOM 682 O ASP A 41 -4.634 -2.365 -16.179 1.00 0.00 O ATOM 683 CB ASP A 41 -7.108 -4.747 -16.724 1.00 0.00 C ATOM 684 CG ASP A 41 -7.491 -6.193 -16.478 1.00 0.00 C ATOM 685 OD1 ASP A 41 -7.693 -6.562 -15.303 1.00 0.00 O ATOM 686 OD2 ASP A 41 -7.587 -6.957 -17.462 1.00 0.00 O ATOM 0 H ASP A 41 -5.367 -4.131 -14.574 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.093 -5.173 -17.320 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.624 -4.110 -16.005 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.447 -4.448 -17.716 1.00 0.00 H new ATOM 691 N SER A 42 -5.692 -2.647 -18.139 1.00 0.00 N ATOM 692 CA SER A 42 -5.441 -1.287 -18.599 1.00 0.00 C ATOM 693 C SER A 42 -6.557 -0.329 -18.167 1.00 0.00 C ATOM 694 O SER A 42 -6.276 0.759 -17.664 1.00 0.00 O ATOM 695 CB SER A 42 -5.284 -1.262 -20.120 1.00 0.00 C ATOM 696 OG SER A 42 -4.137 -1.986 -20.528 1.00 0.00 O ATOM 0 H SER A 42 -6.216 -3.223 -18.797 1.00 0.00 H new ATOM 0 HA SER A 42 -4.514 -0.948 -18.137 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.172 -1.688 -20.587 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.207 -0.230 -20.464 1.00 0.00 H new ATOM 0 HG SER A 42 -4.061 -1.956 -21.505 1.00 0.00 H new ATOM 702 N PRO A 43 -7.839 -0.714 -18.352 1.00 0.00 N ATOM 703 CA PRO A 43 -8.977 0.136 -17.977 1.00 0.00 C ATOM 704 C PRO A 43 -8.950 0.534 -16.504 1.00 0.00 C ATOM 705 O PRO A 43 -8.861 1.717 -16.175 1.00 0.00 O ATOM 706 CB PRO A 43 -10.199 -0.742 -18.271 1.00 0.00 C ATOM 707 CG PRO A 43 -9.721 -1.733 -19.275 1.00 0.00 C ATOM 708 CD PRO A 43 -8.284 -1.995 -18.933 1.00 0.00 C ATOM 0 HA PRO A 43 -8.972 1.078 -18.525 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -10.558 -1.235 -17.368 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.027 -0.150 -18.662 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -10.308 -2.650 -19.230 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.818 -1.342 -20.288 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.182 -2.816 -18.224 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.702 -2.261 -19.815 1.00 0.00 H new ATOM 716 N ILE A 44 -9.027 -0.459 -15.623 1.00 0.00 N ATOM 717 CA ILE A 44 -9.012 -0.208 -14.187 1.00 0.00 C ATOM 718 C ILE A 44 -7.939 -1.045 -13.494 1.00 0.00 C ATOM 719 O ILE A 44 -7.565 -2.113 -13.979 1.00 0.00 O ATOM 720 CB ILE A 44 -10.389 -0.503 -13.552 1.00 0.00 C ATOM 721 CG1 ILE A 44 -10.403 -0.105 -12.073 1.00 0.00 C ATOM 722 CG2 ILE A 44 -10.744 -1.975 -13.712 1.00 0.00 C ATOM 723 CD1 ILE A 44 -10.222 1.380 -11.841 1.00 0.00 C ATOM 0 H ILE A 44 -9.100 -1.444 -15.879 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.781 0.848 -14.048 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.139 0.093 -14.071 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.348 -0.421 -11.630 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.611 -0.644 -11.553 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.717 -2.166 -13.259 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.781 -2.227 -14.772 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.988 -2.587 -13.220 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.243 1.586 -10.771 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -9.265 1.699 -12.254 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.028 1.926 -12.331 1.00 0.00 H new ATOM 735 N GLN A 45 -7.446 -0.552 -12.362 1.00 0.00 N ATOM 736 CA GLN A 45 -6.408 -1.249 -11.610 1.00 0.00 C ATOM 737 C GLN A 45 -6.866 -2.645 -11.196 1.00 0.00 C ATOM 738 O GLN A 45 -6.454 -3.644 -11.788 1.00 0.00 O ATOM 739 CB GLN A 45 -6.014 -0.450 -10.365 1.00 0.00 C ATOM 740 CG GLN A 45 -5.513 0.955 -10.663 1.00 0.00 C ATOM 741 CD GLN A 45 -6.637 1.922 -10.979 1.00 0.00 C ATOM 742 OE1 GLN A 45 -6.975 2.142 -12.142 1.00 0.00 O ATOM 743 NE2 GLN A 45 -7.229 2.497 -9.939 1.00 0.00 N ATOM 0 H GLN A 45 -7.749 0.328 -11.945 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.541 -1.347 -12.264 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.876 -0.384 -9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.238 -0.995 -9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.951 1.325 -9.806 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.822 0.919 -11.506 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.915 2.285 -8.992 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.998 3.151 -10.087 1.00 0.00 H new ATOM 752 N CYS A 46 -7.720 -2.704 -10.178 1.00 0.00 N ATOM 753 CA CYS A 46 -8.224 -3.977 -9.675 1.00 0.00 C ATOM 754 C CYS A 46 -9.736 -4.086 -9.853 1.00 0.00 C ATOM 755 O CYS A 46 -10.224 -4.976 -10.552 1.00 0.00 O ATOM 756 CB CYS A 46 -7.860 -4.138 -8.196 1.00 0.00 C ATOM 757 SG CYS A 46 -8.267 -5.772 -7.499 1.00 0.00 S ATOM 0 H CYS A 46 -8.077 -1.885 -9.686 1.00 0.00 H new ATOM 0 HA CYS A 46 -7.757 -4.775 -10.253 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -6.791 -3.960 -8.075 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.378 -3.371 -7.620 1.00 0.00 H new ATOM 762 N ILE A 47 -10.472 -3.177 -9.221 1.00 0.00 N ATOM 763 CA ILE A 47 -11.929 -3.182 -9.305 1.00 0.00 C ATOM 764 C ILE A 47 -12.457 -1.887 -9.914 1.00 0.00 C ATOM 765 O ILE A 47 -12.870 -1.860 -11.073 1.00 0.00 O ATOM 766 CB ILE A 47 -12.562 -3.381 -7.915 1.00 0.00 C ATOM 767 CG1 ILE A 47 -12.029 -4.661 -7.272 1.00 0.00 C ATOM 768 CG2 ILE A 47 -14.081 -3.425 -8.021 1.00 0.00 C ATOM 769 CD1 ILE A 47 -12.290 -4.744 -5.785 1.00 0.00 C ATOM 0 H ILE A 47 -10.085 -2.429 -8.646 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.207 -4.015 -9.951 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.290 -2.536 -7.283 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.486 -5.521 -7.761 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.955 -4.727 -7.448 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -14.511 -3.566 -7.029 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -14.444 -2.488 -8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -14.377 -4.252 -8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.885 -5.678 -5.396 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.810 -3.904 -5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -13.364 -4.710 -5.602 1.00 0.00 H new ATOM 781 N GLN A 48 -12.445 -0.819 -9.122 1.00 0.00 N ATOM 782 CA GLN A 48 -12.926 0.480 -9.582 1.00 0.00 C ATOM 783 C GLN A 48 -12.131 1.607 -8.931 1.00 0.00 C ATOM 784 O GLN A 48 -11.339 1.372 -8.018 1.00 0.00 O ATOM 785 CB GLN A 48 -14.415 0.637 -9.262 1.00 0.00 C ATOM 786 CG GLN A 48 -15.203 1.357 -10.346 1.00 0.00 C ATOM 787 CD GLN A 48 -15.316 0.543 -11.620 1.00 0.00 C ATOM 788 OE1 GLN A 48 -16.254 -0.237 -11.791 1.00 0.00 O ATOM 789 NE2 GLN A 48 -14.359 0.719 -12.525 1.00 0.00 N ATOM 0 H GLN A 48 -12.108 -0.827 -8.159 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.788 0.535 -10.662 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -14.849 -0.350 -9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.520 1.184 -8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -16.202 1.584 -9.974 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.722 2.309 -10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.600 1.375 -12.343 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.384 0.198 -13.401 1.00 0.00 H new ATOM 798 N ALA A 49 -12.346 2.830 -9.404 1.00 0.00 N ATOM 799 CA ALA A 49 -11.647 3.992 -8.864 1.00 0.00 C ATOM 800 C ALA A 49 -12.621 5.120 -8.544 1.00 0.00 C ATOM 801 O ALA A 49 -13.095 5.182 -7.389 1.00 0.00 O ATOM 802 CB ALA A 49 -10.585 4.469 -9.843 1.00 0.00 C ATOM 803 OXT ALA A 49 -12.904 5.933 -9.450 1.00 0.00 O ATOM 0 H ALA A 49 -12.998 3.043 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.162 3.694 -7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -10.071 5.336 -9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -9.865 3.669 -10.017 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.057 4.744 -10.786 1.00 0.00 H new TER 809 ALA A 49