USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=7 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.873 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 13 SER OG : rot 50:sc= 0.47 USER MOD Single : A 14 GLN : amide:sc= -8.62! C(o=-8.6!,f=-10!) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -172:sc=-0.00247 (180deg=-0.0874) USER MOD Single : A 22 GLN : amide:sc= -1.56! K(o=-1.6!,f=-0.33) USER MOD Single : A 24 GLN : amide:sc= 0.0125 X(o=0.013,f=-0.024) USER MOD Single : A 26 ASN : amide:sc= -1.07! K(o=-1.1!,f=-0.095) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= 0.029 (180deg=-0.816) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -1.8 K(o=-1.8,f=-1.1) USER MOD Single : A 48 GLN : amide:sc= -0.851 K(o=-0.85,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.387 10.434 3.449 1.00 0.00 N ATOM 2 CA GLY A 1 22.227 11.271 3.033 1.00 0.00 C ATOM 3 C GLY A 1 21.661 10.851 1.691 1.00 0.00 C ATOM 4 O GLY A 1 22.297 11.040 0.654 1.00 0.00 O ATOM 0 H1 GLY A 1 23.738 10.761 4.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.089 9.440 3.524 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.145 10.516 2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.446 11.205 3.790 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.536 12.315 2.983 1.00 0.00 H new ATOM 10 N ARG A 2 20.460 10.281 1.713 1.00 0.00 N ATOM 11 CA ARG A 2 19.804 9.830 0.490 1.00 0.00 C ATOM 12 C ARG A 2 19.004 10.962 -0.149 1.00 0.00 C ATOM 13 O ARG A 2 17.910 11.296 0.304 1.00 0.00 O ATOM 14 CB ARG A 2 18.884 8.645 0.791 1.00 0.00 C ATOM 15 CG ARG A 2 19.632 7.365 1.123 1.00 0.00 C ATOM 16 CD ARG A 2 18.677 6.249 1.515 1.00 0.00 C ATOM 17 NE ARG A 2 19.366 4.974 1.690 1.00 0.00 N ATOM 18 CZ ARG A 2 18.871 3.958 2.393 1.00 0.00 C ATOM 19 NH1 ARG A 2 17.694 4.074 2.994 1.00 0.00 N ATOM 20 NH2 ARG A 2 19.554 2.827 2.496 1.00 0.00 N ATOM 0 H ARG A 2 19.921 10.120 2.564 1.00 0.00 H new ATOM 0 HA ARG A 2 20.575 9.515 -0.213 1.00 0.00 H new ATOM 0 HB2 ARG A 2 18.234 8.903 1.627 1.00 0.00 H new ATOM 0 HB3 ARG A 2 18.240 8.467 -0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 2 20.223 7.054 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 2 20.330 7.551 1.939 1.00 0.00 H new ATOM 0 HD2 ARG A 2 18.168 6.516 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 2 17.909 6.144 0.749 1.00 0.00 H new ATOM 0 HE ARG A 2 20.278 4.855 1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 2 17.166 4.943 2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 2 17.317 3.294 3.532 1.00 0.00 H new ATOM 0 HH21 ARG A 2 20.460 2.735 2.036 1.00 0.00 H new ATOM 0 HH22 ARG A 2 19.174 2.049 3.035 1.00 0.00 H new ATOM 34 N ARG A 3 19.560 11.546 -1.206 1.00 0.00 N ATOM 35 CA ARG A 3 18.902 12.641 -1.910 1.00 0.00 C ATOM 36 C ARG A 3 18.197 12.130 -3.164 1.00 0.00 C ATOM 37 O ARG A 3 18.668 12.339 -4.282 1.00 0.00 O ATOM 38 CB ARG A 3 19.925 13.717 -2.282 1.00 0.00 C ATOM 39 CG ARG A 3 19.301 15.053 -2.652 1.00 0.00 C ATOM 40 CD ARG A 3 20.363 16.080 -3.007 1.00 0.00 C ATOM 41 NE ARG A 3 19.811 17.428 -3.120 1.00 0.00 N ATOM 42 CZ ARG A 3 20.438 18.518 -2.688 1.00 0.00 C ATOM 43 NH1 ARG A 3 21.631 18.420 -2.116 1.00 0.00 N ATOM 44 NH2 ARG A 3 19.873 19.709 -2.829 1.00 0.00 N ATOM 0 H ARG A 3 20.465 11.279 -1.594 1.00 0.00 H new ATOM 0 HA ARG A 3 18.154 13.076 -1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 3 20.606 13.864 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 3 20.524 13.362 -3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 3 18.625 14.919 -3.496 1.00 0.00 H new ATOM 0 HG3 ARG A 3 18.702 15.420 -1.819 1.00 0.00 H new ATOM 0 HD2 ARG A 3 21.143 16.071 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 3 20.834 15.802 -3.950 1.00 0.00 H new ATOM 0 HE ARG A 3 18.895 17.539 -3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 3 22.070 17.506 -2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 3 22.109 19.259 -1.786 1.00 0.00 H new ATOM 0 HH21 ARG A 3 18.956 19.790 -3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 3 20.355 20.545 -2.497 1.00 0.00 H new ATOM 58 N ARG A 4 17.066 11.459 -2.968 1.00 0.00 N ATOM 59 CA ARG A 4 16.295 10.913 -4.080 1.00 0.00 C ATOM 60 C ARG A 4 14.836 11.352 -3.999 1.00 0.00 C ATOM 61 O ARG A 4 14.234 11.344 -2.926 1.00 0.00 O ATOM 62 CB ARG A 4 16.384 9.384 -4.082 1.00 0.00 C ATOM 63 CG ARG A 4 15.628 8.727 -5.225 1.00 0.00 C ATOM 64 CD ARG A 4 15.688 7.211 -5.131 1.00 0.00 C ATOM 65 NE ARG A 4 15.131 6.720 -3.872 1.00 0.00 N ATOM 66 CZ ARG A 4 15.201 5.453 -3.475 1.00 0.00 C ATOM 67 NH1 ARG A 4 15.791 4.545 -4.243 1.00 0.00 N ATOM 68 NH2 ARG A 4 14.679 5.092 -2.310 1.00 0.00 N ATOM 0 H ARG A 4 16.663 11.280 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 4 16.717 11.297 -5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 4 17.432 9.090 -4.136 1.00 0.00 H new ATOM 0 HB3 ARG A 4 15.995 9.006 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 4 14.588 9.053 -5.210 1.00 0.00 H new ATOM 0 HG3 ARG A 4 16.050 9.051 -6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 4 15.140 6.774 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 4 16.723 6.882 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 4 14.661 7.389 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 4 16.192 4.819 -5.140 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.843 3.574 -3.936 1.00 0.00 H new ATOM 0 HH21 ARG A 4 14.223 5.787 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 4 14.733 4.120 -2.006 1.00 0.00 H new ATOM 82 N ARG A 5 14.275 11.735 -5.144 1.00 0.00 N ATOM 83 CA ARG A 5 12.886 12.176 -5.205 1.00 0.00 C ATOM 84 C ARG A 5 12.090 11.331 -6.196 1.00 0.00 C ATOM 85 O ARG A 5 11.286 10.488 -5.800 1.00 0.00 O ATOM 86 CB ARG A 5 12.808 13.655 -5.601 1.00 0.00 C ATOM 87 CG ARG A 5 13.492 14.594 -4.619 1.00 0.00 C ATOM 88 CD ARG A 5 14.993 14.660 -4.855 1.00 0.00 C ATOM 89 NE ARG A 5 15.314 15.132 -6.200 1.00 0.00 N ATOM 90 CZ ARG A 5 16.516 15.011 -6.758 1.00 0.00 C ATOM 91 NH1 ARG A 5 17.508 14.435 -6.092 1.00 0.00 N ATOM 92 NH2 ARG A 5 16.725 15.467 -7.985 1.00 0.00 N ATOM 0 H ARG A 5 14.761 11.748 -6.040 1.00 0.00 H new ATOM 0 HA ARG A 5 12.451 12.051 -4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.260 13.782 -6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.760 13.942 -5.693 1.00 0.00 H new ATOM 0 HG2 ARG A 5 13.065 15.592 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 5 13.298 14.259 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 5 15.447 15.324 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 5 15.428 13.672 -4.704 1.00 0.00 H new ATOM 0 HE ARG A 5 14.575 15.580 -6.742 1.00 0.00 H new ATOM 0 HH11 ARG A 5 17.351 14.082 -5.148 1.00 0.00 H new ATOM 0 HH12 ARG A 5 18.428 14.345 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 5 15.965 15.910 -8.501 1.00 0.00 H new ATOM 0 HH22 ARG A 5 17.646 15.375 -8.413 1.00 0.00 H new ATOM 106 N SER A 6 12.326 11.563 -7.484 1.00 0.00 N ATOM 107 CA SER A 6 11.634 10.826 -8.538 1.00 0.00 C ATOM 108 C SER A 6 12.578 9.835 -9.207 1.00 0.00 C ATOM 109 O SER A 6 13.678 10.198 -9.628 1.00 0.00 O ATOM 110 CB SER A 6 11.074 11.794 -9.582 1.00 0.00 C ATOM 111 OG SER A 6 10.228 12.762 -8.982 1.00 0.00 O ATOM 0 H SER A 6 12.992 12.257 -7.824 1.00 0.00 H new ATOM 0 HA SER A 6 10.810 10.275 -8.085 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.895 12.293 -10.096 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.517 11.238 -10.336 1.00 0.00 H new ATOM 0 HG SER A 6 9.885 13.369 -9.671 1.00 0.00 H new ATOM 117 N VAL A 7 12.143 8.584 -9.304 1.00 0.00 N ATOM 118 CA VAL A 7 12.952 7.542 -9.922 1.00 0.00 C ATOM 119 C VAL A 7 12.586 7.373 -11.396 1.00 0.00 C ATOM 120 O VAL A 7 11.990 8.265 -12.000 1.00 0.00 O ATOM 121 CB VAL A 7 12.796 6.194 -9.185 1.00 0.00 C ATOM 122 CG1 VAL A 7 14.112 5.429 -9.185 1.00 0.00 C ATOM 123 CG2 VAL A 7 12.310 6.411 -7.759 1.00 0.00 C ATOM 0 H VAL A 7 11.235 8.268 -8.963 1.00 0.00 H new ATOM 0 HA VAL A 7 13.994 7.854 -9.849 1.00 0.00 H new ATOM 0 HB VAL A 7 12.050 5.602 -9.715 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.982 4.482 -8.661 1.00 0.00 H new ATOM 0 HG12 VAL A 7 14.421 5.236 -10.212 1.00 0.00 H new ATOM 0 HG13 VAL A 7 14.877 6.020 -8.681 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.207 5.448 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.030 7.025 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 7 11.344 6.915 -7.777 1.00 0.00 H new ATOM 133 N GLN A 8 12.943 6.228 -11.968 1.00 0.00 N ATOM 134 CA GLN A 8 12.667 5.949 -13.374 1.00 0.00 C ATOM 135 C GLN A 8 11.241 5.451 -13.583 1.00 0.00 C ATOM 136 O GLN A 8 10.998 4.541 -14.376 1.00 0.00 O ATOM 137 CB GLN A 8 13.663 4.918 -13.897 1.00 0.00 C ATOM 138 CG GLN A 8 13.577 3.574 -13.195 1.00 0.00 C ATOM 139 CD GLN A 8 14.620 2.590 -13.690 1.00 0.00 C ATOM 140 OE1 GLN A 8 15.039 2.641 -14.847 1.00 0.00 O ATOM 141 NE2 GLN A 8 15.044 1.685 -12.815 1.00 0.00 N ATOM 0 H GLN A 8 13.426 5.475 -11.478 1.00 0.00 H new ATOM 0 HA GLN A 8 12.774 6.881 -13.929 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.494 4.772 -14.964 1.00 0.00 H new ATOM 0 HB3 GLN A 8 14.673 5.312 -13.785 1.00 0.00 H new ATOM 0 HG2 GLN A 8 13.701 3.720 -12.122 1.00 0.00 H new ATOM 0 HG3 GLN A 8 12.584 3.152 -13.347 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.670 1.679 -11.866 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.744 0.996 -13.092 1.00 0.00 H new ATOM 150 N TRP A 9 10.301 6.057 -12.874 1.00 0.00 N ATOM 151 CA TRP A 9 8.898 5.679 -12.984 1.00 0.00 C ATOM 152 C TRP A 9 8.000 6.896 -12.824 1.00 0.00 C ATOM 153 O TRP A 9 8.453 8.036 -12.924 1.00 0.00 O ATOM 154 CB TRP A 9 8.541 4.628 -11.925 1.00 0.00 C ATOM 155 CG TRP A 9 8.782 5.069 -10.513 1.00 0.00 C ATOM 156 CD1 TRP A 9 9.310 6.257 -10.099 1.00 0.00 C ATOM 157 CD2 TRP A 9 8.509 4.316 -9.327 1.00 0.00 C ATOM 158 NE1 TRP A 9 9.377 6.292 -8.728 1.00 0.00 N ATOM 159 CE2 TRP A 9 8.893 5.110 -8.230 1.00 0.00 C ATOM 160 CE3 TRP A 9 7.974 3.047 -9.087 1.00 0.00 C ATOM 161 CZ2 TRP A 9 8.759 4.676 -6.914 1.00 0.00 C ATOM 162 CZ3 TRP A 9 7.843 2.617 -7.780 1.00 0.00 C ATOM 163 CH2 TRP A 9 8.234 3.429 -6.708 1.00 0.00 C ATOM 0 H TRP A 9 10.483 6.814 -12.215 1.00 0.00 H new ATOM 0 HA TRP A 9 8.739 5.253 -13.975 1.00 0.00 H new ATOM 0 HB2 TRP A 9 7.490 4.360 -12.035 1.00 0.00 H new ATOM 0 HB3 TRP A 9 9.122 3.725 -12.116 1.00 0.00 H new ATOM 0 HD1 TRP A 9 9.629 7.054 -10.754 1.00 0.00 H new ATOM 0 HE1 TRP A 9 9.729 7.070 -8.171 1.00 0.00 H new ATOM 0 HE3 TRP A 9 7.669 2.414 -9.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.059 5.301 -6.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 7.432 1.638 -7.582 1.00 0.00 H new ATOM 0 HH2 TRP A 9 8.119 3.064 -5.698 1.00 0.00 H new ATOM 174 N CYS A 10 6.725 6.641 -12.579 1.00 0.00 N ATOM 175 CA CYS A 10 5.757 7.705 -12.387 1.00 0.00 C ATOM 176 C CYS A 10 5.165 7.618 -10.987 1.00 0.00 C ATOM 177 O CYS A 10 4.420 8.498 -10.556 1.00 0.00 O ATOM 178 CB CYS A 10 4.646 7.603 -13.426 1.00 0.00 C ATOM 179 SG CYS A 10 5.238 7.428 -15.141 1.00 0.00 S ATOM 0 H CYS A 10 6.336 5.701 -12.508 1.00 0.00 H new ATOM 0 HA CYS A 10 6.261 8.664 -12.505 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.014 6.749 -13.183 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.019 8.492 -13.359 1.00 0.00 H new ATOM 184 N ALA A 11 5.508 6.542 -10.285 1.00 0.00 N ATOM 185 CA ALA A 11 5.016 6.312 -8.934 1.00 0.00 C ATOM 186 C ALA A 11 5.860 7.033 -7.896 1.00 0.00 C ATOM 187 O ALA A 11 5.970 6.582 -6.755 1.00 0.00 O ATOM 188 CB ALA A 11 4.989 4.828 -8.630 1.00 0.00 C ATOM 0 H ALA A 11 6.129 5.812 -10.634 1.00 0.00 H new ATOM 0 HA ALA A 11 4.004 6.713 -8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.619 4.671 -7.617 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.332 4.323 -9.338 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.996 4.421 -8.716 1.00 0.00 H new ATOM 194 N VAL A 12 6.467 8.143 -8.303 1.00 0.00 N ATOM 195 CA VAL A 12 7.289 8.943 -7.398 1.00 0.00 C ATOM 196 C VAL A 12 6.604 9.116 -6.041 1.00 0.00 C ATOM 197 O VAL A 12 7.264 9.306 -5.018 1.00 0.00 O ATOM 198 CB VAL A 12 7.580 10.333 -7.998 1.00 0.00 C ATOM 199 CG1 VAL A 12 6.283 11.067 -8.302 1.00 0.00 C ATOM 200 CG2 VAL A 12 8.457 11.149 -7.060 1.00 0.00 C ATOM 0 H VAL A 12 6.406 8.510 -9.253 1.00 0.00 H new ATOM 0 HA VAL A 12 8.229 8.409 -7.259 1.00 0.00 H new ATOM 0 HB VAL A 12 8.121 10.197 -8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.509 12.046 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.697 10.490 -9.017 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.712 11.192 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.651 12.127 -7.502 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.948 11.277 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.402 10.629 -6.901 1.00 0.00 H new ATOM 210 N SER A 13 5.275 9.040 -6.040 1.00 0.00 N ATOM 211 CA SER A 13 4.500 9.178 -4.812 1.00 0.00 C ATOM 212 C SER A 13 3.335 8.190 -4.788 1.00 0.00 C ATOM 213 O SER A 13 2.185 8.565 -5.019 1.00 0.00 O ATOM 214 CB SER A 13 3.973 10.608 -4.677 1.00 0.00 C ATOM 215 OG SER A 13 3.204 10.979 -5.808 1.00 0.00 O ATOM 0 H SER A 13 4.713 8.884 -6.877 1.00 0.00 H new ATOM 0 HA SER A 13 5.157 8.958 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.364 10.691 -3.777 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.809 11.297 -4.560 1.00 0.00 H new ATOM 0 HG SER A 13 2.537 10.285 -5.992 1.00 0.00 H new ATOM 221 N GLN A 14 3.639 6.923 -4.507 1.00 0.00 N ATOM 222 CA GLN A 14 2.612 5.887 -4.453 1.00 0.00 C ATOM 223 C GLN A 14 2.565 5.243 -3.067 1.00 0.00 C ATOM 224 O GLN A 14 3.584 5.160 -2.382 1.00 0.00 O ATOM 225 CB GLN A 14 2.866 4.817 -5.523 1.00 0.00 C ATOM 226 CG GLN A 14 3.766 3.672 -5.069 1.00 0.00 C ATOM 227 CD GLN A 14 4.224 2.800 -6.222 1.00 0.00 C ATOM 228 OE1 GLN A 14 5.312 2.230 -6.185 1.00 0.00 O ATOM 229 NE2 GLN A 14 3.394 2.690 -7.255 1.00 0.00 N ATOM 0 H GLN A 14 4.584 6.592 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 14 1.649 6.357 -4.651 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.908 4.406 -5.842 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.315 5.292 -6.395 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.638 4.080 -4.558 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.230 3.059 -4.344 1.00 0.00 H new ATOM 0 HE21 GLN A 14 2.500 3.180 -7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 14 3.652 2.115 -8.057 1.00 0.00 H new ATOM 238 N PRO A 15 1.377 4.782 -2.634 1.00 0.00 N ATOM 239 CA PRO A 15 1.213 4.148 -1.329 1.00 0.00 C ATOM 240 C PRO A 15 1.578 2.667 -1.352 1.00 0.00 C ATOM 241 O PRO A 15 0.731 1.804 -1.120 1.00 0.00 O ATOM 242 CB PRO A 15 -0.277 4.334 -1.053 1.00 0.00 C ATOM 243 CG PRO A 15 -0.913 4.292 -2.401 1.00 0.00 C ATOM 244 CD PRO A 15 0.099 4.849 -3.373 1.00 0.00 C ATOM 0 HA PRO A 15 1.864 4.581 -0.570 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.663 3.545 -0.407 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.473 5.281 -0.551 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.186 3.271 -2.669 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.830 4.882 -2.416 1.00 0.00 H new ATOM 0 HD2 PRO A 15 0.137 4.262 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.144 5.872 -3.659 1.00 0.00 H new ATOM 252 N GLU A 16 2.848 2.383 -1.632 1.00 0.00 N ATOM 253 CA GLU A 16 3.338 1.009 -1.684 1.00 0.00 C ATOM 254 C GLU A 16 2.566 0.190 -2.717 1.00 0.00 C ATOM 255 O GLU A 16 2.048 -0.885 -2.410 1.00 0.00 O ATOM 256 CB GLU A 16 3.228 0.353 -0.304 1.00 0.00 C ATOM 257 CG GLU A 16 3.960 1.112 0.790 1.00 0.00 C ATOM 258 CD GLU A 16 5.450 1.219 0.530 1.00 0.00 C ATOM 259 OE1 GLU A 16 6.185 0.274 0.885 1.00 0.00 O ATOM 260 OE2 GLU A 16 5.883 2.249 -0.029 1.00 0.00 O ATOM 0 H GLU A 16 3.558 3.089 -1.827 1.00 0.00 H new ATOM 0 HA GLU A 16 4.386 1.035 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.175 0.268 -0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.625 -0.660 -0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.538 2.113 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.797 0.613 1.745 1.00 0.00 H new ATOM 267 N ALA A 17 2.493 0.704 -3.941 1.00 0.00 N ATOM 268 CA ALA A 17 1.788 0.015 -5.016 1.00 0.00 C ATOM 269 C ALA A 17 2.759 -0.784 -5.874 1.00 0.00 C ATOM 270 O ALA A 17 2.385 -1.342 -6.907 1.00 0.00 O ATOM 271 CB ALA A 17 1.005 1.005 -5.865 1.00 0.00 C ATOM 0 H ALA A 17 2.912 1.593 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 17 1.081 -0.683 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.486 0.471 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.277 1.523 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.690 1.731 -6.302 1.00 0.00 H new ATOM 277 N THR A 18 4.008 -0.828 -5.433 1.00 0.00 N ATOM 278 CA THR A 18 5.052 -1.564 -6.137 1.00 0.00 C ATOM 279 C THR A 18 5.665 -2.603 -5.212 1.00 0.00 C ATOM 280 O THR A 18 6.304 -3.556 -5.659 1.00 0.00 O ATOM 281 CB THR A 18 6.165 -0.633 -6.656 1.00 0.00 C ATOM 282 OG1 THR A 18 7.005 -1.341 -7.574 1.00 0.00 O ATOM 283 CG2 THR A 18 7.009 -0.098 -5.505 1.00 0.00 C ATOM 0 H THR A 18 4.326 -0.359 -4.585 1.00 0.00 H new ATOM 0 HA THR A 18 4.586 -2.048 -6.995 1.00 0.00 H new ATOM 0 HB THR A 18 5.694 0.209 -7.163 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.709 -0.743 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.787 0.556 -5.898 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.375 0.464 -4.819 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.469 -0.931 -4.974 1.00 0.00 H new ATOM 291 N LYS A 19 5.466 -2.400 -3.912 1.00 0.00 N ATOM 292 CA LYS A 19 5.982 -3.308 -2.899 1.00 0.00 C ATOM 293 C LYS A 19 5.596 -4.742 -3.217 1.00 0.00 C ATOM 294 O LYS A 19 6.306 -5.677 -2.852 1.00 0.00 O ATOM 295 CB LYS A 19 5.439 -2.922 -1.523 1.00 0.00 C ATOM 296 CG LYS A 19 5.614 -4.007 -0.469 1.00 0.00 C ATOM 297 CD LYS A 19 4.313 -4.753 -0.216 1.00 0.00 C ATOM 298 CE LYS A 19 4.457 -5.763 0.912 1.00 0.00 C ATOM 299 NZ LYS A 19 5.449 -6.824 0.586 1.00 0.00 N ATOM 0 H LYS A 19 4.946 -1.607 -3.536 1.00 0.00 H new ATOM 0 HA LYS A 19 7.069 -3.232 -2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.941 -2.016 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.379 -2.684 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.381 -4.710 -0.793 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.965 -3.559 0.461 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.526 -4.040 0.031 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.004 -5.266 -1.127 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.763 -5.248 1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.489 -6.221 1.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.419 -7.563 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.220 -7.242 -0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.402 -6.409 0.552 1.00 0.00 H new ATOM 313 N CYS A 20 4.461 -4.896 -3.894 1.00 0.00 N ATOM 314 CA CYS A 20 3.954 -6.208 -4.275 1.00 0.00 C ATOM 315 C CYS A 20 5.063 -7.073 -4.867 1.00 0.00 C ATOM 316 O CYS A 20 5.234 -7.137 -6.085 1.00 0.00 O ATOM 317 CB CYS A 20 2.815 -6.046 -5.283 1.00 0.00 C ATOM 318 SG CYS A 20 2.045 -7.609 -5.803 1.00 0.00 S ATOM 0 H CYS A 20 3.871 -4.119 -4.192 1.00 0.00 H new ATOM 0 HA CYS A 20 3.579 -6.708 -3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.049 -5.405 -4.847 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.197 -5.532 -6.165 1.00 0.00 H new ATOM 323 N PHE A 21 5.814 -7.738 -3.993 1.00 0.00 N ATOM 324 CA PHE A 21 6.912 -8.592 -4.421 1.00 0.00 C ATOM 325 C PHE A 21 6.850 -9.939 -3.703 1.00 0.00 C ATOM 326 O PHE A 21 6.914 -10.991 -4.339 1.00 0.00 O ATOM 327 CB PHE A 21 8.258 -7.879 -4.194 1.00 0.00 C ATOM 328 CG PHE A 21 8.952 -8.211 -2.899 1.00 0.00 C ATOM 329 CD1 PHE A 21 8.647 -7.520 -1.737 1.00 0.00 C ATOM 330 CD2 PHE A 21 9.914 -9.207 -2.849 1.00 0.00 C ATOM 331 CE1 PHE A 21 9.288 -7.818 -0.549 1.00 0.00 C ATOM 332 CE2 PHE A 21 10.559 -9.508 -1.664 1.00 0.00 C ATOM 333 CZ PHE A 21 10.245 -8.813 -0.513 1.00 0.00 C ATOM 0 H PHE A 21 5.680 -7.700 -2.983 1.00 0.00 H new ATOM 0 HA PHE A 21 6.819 -8.789 -5.489 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.926 -8.127 -5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.091 -6.803 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.900 -6.740 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.163 -9.754 -3.746 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.041 -7.273 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.308 -10.286 -1.639 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.747 -9.047 0.414 1.00 0.00 H new ATOM 343 N GLN A 22 6.727 -9.906 -2.377 1.00 0.00 N ATOM 344 CA GLN A 22 6.625 -11.133 -1.597 1.00 0.00 C ATOM 345 C GLN A 22 5.722 -10.939 -0.389 1.00 0.00 C ATOM 346 O GLN A 22 5.878 -9.994 0.384 1.00 0.00 O ATOM 347 CB GLN A 22 7.987 -11.641 -1.155 1.00 0.00 C ATOM 348 CG GLN A 22 7.949 -13.095 -0.705 1.00 0.00 C ATOM 349 CD GLN A 22 9.095 -13.917 -1.266 1.00 0.00 C ATOM 350 OE1 GLN A 22 9.583 -14.843 -0.617 1.00 0.00 O ATOM 351 NE2 GLN A 22 9.525 -13.590 -2.480 1.00 0.00 N ATOM 0 H GLN A 22 6.696 -9.048 -1.826 1.00 0.00 H new ATOM 0 HA GLN A 22 6.183 -11.886 -2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.694 -11.537 -1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 22 8.355 -11.021 -0.338 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.980 -13.134 0.384 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.003 -13.541 -1.014 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.092 -12.815 -2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.288 -14.114 -2.909 1.00 0.00 H new ATOM 360 N TRP A 23 4.777 -11.856 -0.244 1.00 0.00 N ATOM 361 CA TRP A 23 3.800 -11.822 0.835 1.00 0.00 C ATOM 362 C TRP A 23 3.492 -13.243 1.288 1.00 0.00 C ATOM 363 O TRP A 23 4.108 -13.767 2.216 1.00 0.00 O ATOM 364 CB TRP A 23 2.524 -11.148 0.313 1.00 0.00 C ATOM 365 CG TRP A 23 2.747 -10.505 -1.006 1.00 0.00 C ATOM 366 CD1 TRP A 23 3.242 -9.266 -1.257 1.00 0.00 C ATOM 367 CD2 TRP A 23 2.528 -11.117 -2.265 1.00 0.00 C ATOM 368 NE1 TRP A 23 3.345 -9.069 -2.609 1.00 0.00 N ATOM 369 CE2 TRP A 23 2.911 -10.197 -3.248 1.00 0.00 C ATOM 370 CE3 TRP A 23 2.041 -12.360 -2.652 1.00 0.00 C ATOM 371 CZ2 TRP A 23 2.830 -10.488 -4.596 1.00 0.00 C ATOM 372 CZ3 TRP A 23 1.958 -12.644 -3.991 1.00 0.00 C ATOM 373 CH2 TRP A 23 2.356 -11.713 -4.951 1.00 0.00 C ATOM 0 H TRP A 23 4.666 -12.649 -0.875 1.00 0.00 H new ATOM 0 HA TRP A 23 4.193 -11.262 1.684 1.00 0.00 H new ATOM 0 HB2 TRP A 23 1.729 -11.889 0.228 1.00 0.00 H new ATOM 0 HB3 TRP A 23 2.187 -10.400 1.031 1.00 0.00 H new ATOM 0 HD1 TRP A 23 3.514 -8.543 -0.503 1.00 0.00 H new ATOM 0 HE1 TRP A 23 3.688 -8.222 -3.063 1.00 0.00 H new ATOM 0 HE3 TRP A 23 1.735 -13.087 -1.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 3.132 -9.768 -5.342 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.578 -13.604 -4.308 1.00 0.00 H new ATOM 0 HH2 TRP A 23 2.286 -11.970 -5.998 1.00 0.00 H new ATOM 384 N GLN A 24 2.526 -13.851 0.615 1.00 0.00 N ATOM 385 CA GLN A 24 2.124 -15.215 0.887 1.00 0.00 C ATOM 386 C GLN A 24 1.686 -15.872 -0.417 1.00 0.00 C ATOM 387 O GLN A 24 1.037 -15.237 -1.250 1.00 0.00 O ATOM 388 CB GLN A 24 0.999 -15.253 1.923 1.00 0.00 C ATOM 389 CG GLN A 24 -0.184 -14.369 1.575 1.00 0.00 C ATOM 390 CD GLN A 24 -1.250 -14.378 2.654 1.00 0.00 C ATOM 391 OE1 GLN A 24 -1.225 -13.560 3.574 1.00 0.00 O ATOM 392 NE2 GLN A 24 -2.192 -15.308 2.547 1.00 0.00 N ATOM 0 H GLN A 24 2.000 -13.407 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 24 2.968 -15.766 1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 24 0.653 -16.281 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.398 -14.946 2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.163 -13.347 1.419 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.620 -14.704 0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.173 -15.966 1.767 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.934 -15.365 3.244 1.00 0.00 H new ATOM 401 N ARG A 25 2.061 -17.133 -0.592 1.00 0.00 N ATOM 402 CA ARG A 25 1.720 -17.887 -1.799 1.00 0.00 C ATOM 403 C ARG A 25 0.263 -17.686 -2.212 1.00 0.00 C ATOM 404 O ARG A 25 -0.092 -17.907 -3.369 1.00 0.00 O ATOM 405 CB ARG A 25 1.990 -19.378 -1.589 1.00 0.00 C ATOM 406 CG ARG A 25 1.202 -19.995 -0.443 1.00 0.00 C ATOM 407 CD ARG A 25 1.968 -19.918 0.869 1.00 0.00 C ATOM 408 NE ARG A 25 1.440 -18.887 1.758 1.00 0.00 N ATOM 409 CZ ARG A 25 1.814 -18.747 3.027 1.00 0.00 C ATOM 410 NH1 ARG A 25 2.727 -19.560 3.544 1.00 0.00 N ATOM 411 NH2 ARG A 25 1.277 -17.796 3.779 1.00 0.00 N ATOM 0 H ARG A 25 2.605 -17.661 0.090 1.00 0.00 H new ATOM 0 HA ARG A 25 2.352 -17.506 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.753 -19.913 -2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.054 -19.521 -1.403 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.247 -19.480 -0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.978 -21.037 -0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.924 -20.885 1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.019 -19.714 0.663 1.00 0.00 H new ATOM 0 HE ARG A 25 0.746 -18.239 1.386 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.142 -20.292 2.968 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.013 -19.452 4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.575 -17.169 3.385 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.566 -17.691 4.752 1.00 0.00 H new ATOM 425 N ASN A 26 -0.578 -17.276 -1.270 1.00 0.00 N ATOM 426 CA ASN A 26 -1.991 -17.051 -1.561 1.00 0.00 C ATOM 427 C ASN A 26 -2.479 -15.732 -0.960 1.00 0.00 C ATOM 428 O ASN A 26 -3.407 -15.710 -0.151 1.00 0.00 O ATOM 429 CB ASN A 26 -2.835 -18.213 -1.036 1.00 0.00 C ATOM 430 CG ASN A 26 -4.258 -18.187 -1.561 1.00 0.00 C ATOM 431 OD1 ASN A 26 -5.191 -18.608 -0.878 1.00 0.00 O ATOM 432 ND2 ASN A 26 -4.436 -17.696 -2.787 1.00 0.00 N ATOM 0 H ASN A 26 -0.309 -17.093 -0.303 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.103 -16.991 -2.644 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.365 -19.155 -1.319 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.853 -18.180 0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.372 -17.660 -3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.636 -17.357 -3.322 1.00 0.00 H new ATOM 439 N MET A 27 -1.844 -14.633 -1.363 1.00 0.00 N ATOM 440 CA MET A 27 -2.214 -13.305 -0.881 1.00 0.00 C ATOM 441 C MET A 27 -3.673 -12.996 -1.204 1.00 0.00 C ATOM 442 O MET A 27 -4.465 -12.693 -0.312 1.00 0.00 O ATOM 443 CB MET A 27 -1.306 -12.242 -1.508 1.00 0.00 C ATOM 444 CG MET A 27 -1.665 -10.818 -1.114 1.00 0.00 C ATOM 445 SD MET A 27 -0.597 -9.592 -1.895 1.00 0.00 S ATOM 446 CE MET A 27 -1.331 -8.068 -1.303 1.00 0.00 C ATOM 0 H MET A 27 -1.068 -14.637 -2.025 1.00 0.00 H new ATOM 0 HA MET A 27 -2.089 -13.290 0.202 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.275 -12.441 -1.216 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.353 -12.332 -2.593 1.00 0.00 H new ATOM 0 HG2 MET A 27 -2.701 -10.619 -1.388 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.597 -10.716 -0.031 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.778 -7.218 -1.703 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.369 -8.012 -1.632 1.00 0.00 H new ATOM 0 HE3 MET A 27 -1.294 -8.045 -0.214 1.00 0.00 H new ATOM 456 N ARG A 28 -4.018 -13.073 -2.485 1.00 0.00 N ATOM 457 CA ARG A 28 -5.381 -12.803 -2.928 1.00 0.00 C ATOM 458 C ARG A 28 -5.799 -13.781 -4.019 1.00 0.00 C ATOM 459 O ARG A 28 -6.809 -14.474 -3.892 1.00 0.00 O ATOM 460 CB ARG A 28 -5.498 -11.365 -3.440 1.00 0.00 C ATOM 461 CG ARG A 28 -6.908 -10.979 -3.854 1.00 0.00 C ATOM 462 CD ARG A 28 -6.979 -9.526 -4.301 1.00 0.00 C ATOM 463 NE ARG A 28 -6.571 -8.609 -3.240 1.00 0.00 N ATOM 464 CZ ARG A 28 -6.154 -7.365 -3.460 1.00 0.00 C ATOM 465 NH1 ARG A 28 -6.089 -6.893 -4.699 1.00 0.00 N ATOM 466 NH2 ARG A 28 -5.803 -6.593 -2.441 1.00 0.00 N ATOM 0 H ARG A 28 -3.372 -13.320 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.048 -12.931 -2.075 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.157 -10.682 -2.662 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.830 -11.236 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.241 -11.627 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.590 -11.138 -3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.339 -9.382 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.997 -9.291 -4.612 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.608 -8.941 -2.276 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.359 -7.484 -5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.769 -5.939 -4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.853 -6.953 -1.488 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.483 -5.639 -2.610 1.00 0.00 H new ATOM 480 N LYS A 29 -5.017 -13.832 -5.093 1.00 0.00 N ATOM 481 CA LYS A 29 -5.309 -14.727 -6.207 1.00 0.00 C ATOM 482 C LYS A 29 -4.085 -15.559 -6.587 1.00 0.00 C ATOM 483 O LYS A 29 -4.197 -16.554 -7.305 1.00 0.00 O ATOM 484 CB LYS A 29 -5.796 -13.924 -7.415 1.00 0.00 C ATOM 485 CG LYS A 29 -6.220 -14.780 -8.597 1.00 0.00 C ATOM 486 CD LYS A 29 -7.577 -15.430 -8.366 1.00 0.00 C ATOM 487 CE LYS A 29 -7.441 -16.822 -7.769 1.00 0.00 C ATOM 488 NZ LYS A 29 -6.674 -17.737 -8.660 1.00 0.00 N ATOM 0 H LYS A 29 -4.178 -13.265 -5.215 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.096 -15.412 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.638 -13.302 -7.110 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.001 -13.250 -7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.260 -14.165 -9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.472 -15.553 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.171 -14.805 -7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.117 -15.491 -9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.942 -16.755 -6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.432 -17.238 -7.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.983 -18.717 -8.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.845 -17.478 -9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.659 -17.655 -8.451 1.00 0.00 H new ATOM 502 N VAL A 30 -2.922 -15.152 -6.096 1.00 0.00 N ATOM 503 CA VAL A 30 -1.681 -15.860 -6.382 1.00 0.00 C ATOM 504 C VAL A 30 -1.774 -17.317 -5.945 1.00 0.00 C ATOM 505 O VAL A 30 -2.227 -17.619 -4.840 1.00 0.00 O ATOM 506 CB VAL A 30 -0.471 -15.191 -5.695 1.00 0.00 C ATOM 507 CG1 VAL A 30 -0.105 -13.894 -6.397 1.00 0.00 C ATOM 508 CG2 VAL A 30 -0.757 -14.934 -4.224 1.00 0.00 C ATOM 0 H VAL A 30 -2.812 -14.334 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.531 -15.817 -7.461 1.00 0.00 H new ATOM 0 HB VAL A 30 0.376 -15.874 -5.765 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.750 -13.439 -5.897 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.151 -14.102 -7.436 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.953 -13.210 -6.362 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.110 -14.462 -3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.621 -14.276 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.966 -15.879 -3.723 1.00 0.00 H new ATOM 518 N ARG A 31 -1.346 -18.215 -6.826 1.00 0.00 N ATOM 519 CA ARG A 31 -1.382 -19.649 -6.545 1.00 0.00 C ATOM 520 C ARG A 31 -0.157 -20.082 -5.745 1.00 0.00 C ATOM 521 O ARG A 31 -0.235 -20.282 -4.533 1.00 0.00 O ATOM 522 CB ARG A 31 -1.468 -20.453 -7.846 1.00 0.00 C ATOM 523 CG ARG A 31 -2.763 -20.244 -8.616 1.00 0.00 C ATOM 524 CD ARG A 31 -2.662 -19.071 -9.579 1.00 0.00 C ATOM 525 NE ARG A 31 -3.888 -18.891 -10.351 1.00 0.00 N ATOM 526 CZ ARG A 31 -3.914 -18.451 -11.606 1.00 0.00 C ATOM 527 NH1 ARG A 31 -2.783 -18.151 -12.232 1.00 0.00 N ATOM 528 NH2 ARG A 31 -5.071 -18.313 -12.237 1.00 0.00 N ATOM 0 H ARG A 31 -0.969 -17.976 -7.743 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.272 -19.848 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.629 -20.181 -8.486 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.362 -21.513 -7.614 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.007 -21.150 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.579 -20.070 -7.915 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.448 -18.160 -9.020 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.825 -19.231 -10.259 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.776 -19.116 -9.902 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.890 -18.258 -11.751 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.807 -17.814 -13.194 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.943 -18.544 -11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.090 -17.976 -13.199 1.00 0.00 H new ATOM 542 N GLY A 32 0.973 -20.236 -6.429 1.00 0.00 N ATOM 543 CA GLY A 32 2.197 -20.633 -5.756 1.00 0.00 C ATOM 544 C GLY A 32 2.754 -19.512 -4.901 1.00 0.00 C ATOM 545 O GLY A 32 2.067 -18.516 -4.683 1.00 0.00 O ATOM 0 H GLY A 32 1.063 -20.093 -7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.003 -21.505 -5.132 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.940 -20.930 -6.496 1.00 0.00 H new ATOM 549 N PRO A 33 4.001 -19.635 -4.401 1.00 0.00 N ATOM 550 CA PRO A 33 4.620 -18.598 -3.573 1.00 0.00 C ATOM 551 C PRO A 33 4.434 -17.215 -4.183 1.00 0.00 C ATOM 552 O PRO A 33 4.198 -17.100 -5.386 1.00 0.00 O ATOM 553 CB PRO A 33 6.107 -18.984 -3.539 1.00 0.00 C ATOM 554 CG PRO A 33 6.258 -20.136 -4.484 1.00 0.00 C ATOM 555 CD PRO A 33 4.903 -20.772 -4.603 1.00 0.00 C ATOM 0 HA PRO A 33 4.175 -18.544 -2.579 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.734 -18.146 -3.843 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.414 -19.264 -2.531 1.00 0.00 H new ATOM 0 HG2 PRO A 33 6.613 -19.796 -5.457 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.990 -20.851 -4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.757 -21.238 -5.578 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.752 -21.548 -3.853 1.00 0.00 H new ATOM 563 N PRO A 34 4.527 -16.141 -3.372 1.00 0.00 N ATOM 564 CA PRO A 34 4.348 -14.776 -3.857 1.00 0.00 C ATOM 565 C PRO A 34 4.942 -14.547 -5.227 1.00 0.00 C ATOM 566 O PRO A 34 6.056 -14.979 -5.524 1.00 0.00 O ATOM 567 CB PRO A 34 5.062 -13.948 -2.810 1.00 0.00 C ATOM 568 CG PRO A 34 4.780 -14.684 -1.556 1.00 0.00 C ATOM 569 CD PRO A 34 4.807 -16.152 -1.921 1.00 0.00 C ATOM 0 HA PRO A 34 3.295 -14.524 -3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.132 -13.882 -3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.681 -12.927 -2.774 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.526 -14.457 -0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.810 -14.401 -1.147 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.774 -16.605 -1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.056 -16.718 -1.370 1.00 0.00 H new ATOM 577 N VAL A 35 4.180 -13.856 -6.053 1.00 0.00 N ATOM 578 CA VAL A 35 4.602 -13.574 -7.419 1.00 0.00 C ATOM 579 C VAL A 35 4.098 -12.212 -7.903 1.00 0.00 C ATOM 580 O VAL A 35 4.866 -11.252 -7.978 1.00 0.00 O ATOM 581 CB VAL A 35 4.129 -14.695 -8.373 1.00 0.00 C ATOM 582 CG1 VAL A 35 4.147 -14.236 -9.826 1.00 0.00 C ATOM 583 CG2 VAL A 35 5.001 -15.929 -8.201 1.00 0.00 C ATOM 0 H VAL A 35 3.265 -13.478 -5.806 1.00 0.00 H new ATOM 0 HA VAL A 35 5.691 -13.540 -7.424 1.00 0.00 H new ATOM 0 HB VAL A 35 3.099 -14.943 -8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.809 -15.049 -10.469 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.484 -13.379 -9.945 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.161 -13.951 -10.105 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.660 -16.713 -8.877 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.037 -15.678 -8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.933 -16.282 -7.172 1.00 0.00 H new ATOM 593 N SER A 36 2.810 -12.132 -8.229 1.00 0.00 N ATOM 594 CA SER A 36 2.222 -10.884 -8.710 1.00 0.00 C ATOM 595 C SER A 36 0.828 -10.675 -8.127 1.00 0.00 C ATOM 596 O SER A 36 -0.021 -11.562 -8.191 1.00 0.00 O ATOM 597 CB SER A 36 2.155 -10.883 -10.238 1.00 0.00 C ATOM 598 OG SER A 36 3.449 -10.998 -10.807 1.00 0.00 O ATOM 0 H SER A 36 2.156 -12.913 -8.169 1.00 0.00 H new ATOM 0 HA SER A 36 2.858 -10.063 -8.380 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.530 -11.709 -10.578 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.683 -9.963 -10.584 1.00 0.00 H new ATOM 0 HG SER A 36 3.378 -10.997 -11.784 1.00 0.00 H new ATOM 604 N CYS A 37 0.598 -9.489 -7.574 1.00 0.00 N ATOM 605 CA CYS A 37 -0.689 -9.162 -6.970 1.00 0.00 C ATOM 606 C CYS A 37 -1.208 -7.818 -7.474 1.00 0.00 C ATOM 607 O CYS A 37 -2.202 -7.300 -6.965 1.00 0.00 O ATOM 608 CB CYS A 37 -0.565 -9.128 -5.445 1.00 0.00 C ATOM 609 SG CYS A 37 0.281 -7.647 -4.797 1.00 0.00 S ATOM 0 H CYS A 37 1.286 -8.738 -7.531 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.400 -9.936 -7.258 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.563 -9.183 -5.009 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.024 -10.015 -5.116 1.00 0.00 H new ATOM 614 N ILE A 38 -0.534 -7.258 -8.473 1.00 0.00 N ATOM 615 CA ILE A 38 -0.935 -5.973 -9.033 1.00 0.00 C ATOM 616 C ILE A 38 -1.178 -6.073 -10.537 1.00 0.00 C ATOM 617 O ILE A 38 -0.302 -5.759 -11.344 1.00 0.00 O ATOM 618 CB ILE A 38 0.119 -4.880 -8.755 1.00 0.00 C ATOM 619 CG1 ILE A 38 0.361 -4.743 -7.248 1.00 0.00 C ATOM 620 CG2 ILE A 38 -0.320 -3.547 -9.349 1.00 0.00 C ATOM 621 CD1 ILE A 38 -0.865 -4.323 -6.462 1.00 0.00 C ATOM 0 H ILE A 38 0.289 -7.672 -8.910 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.867 -5.694 -8.542 1.00 0.00 H new ATOM 0 HB ILE A 38 1.054 -5.175 -9.231 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.720 -5.696 -6.860 1.00 0.00 H new ATOM 0 HG13 ILE A 38 1.154 -4.013 -7.083 1.00 0.00 H new ATOM 0 HG21 ILE A 38 0.436 -2.790 -9.142 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.443 -3.652 -10.427 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.268 -3.244 -8.903 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.611 -4.249 -5.405 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.213 -3.354 -6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.654 -5.064 -6.595 1.00 0.00 H new ATOM 633 N LYS A 39 -2.371 -6.525 -10.902 1.00 0.00 N ATOM 634 CA LYS A 39 -2.749 -6.660 -12.302 1.00 0.00 C ATOM 635 C LYS A 39 -4.070 -5.942 -12.557 1.00 0.00 C ATOM 636 O LYS A 39 -4.815 -6.288 -13.475 1.00 0.00 O ATOM 637 CB LYS A 39 -2.872 -8.138 -12.674 1.00 0.00 C ATOM 638 CG LYS A 39 -1.648 -8.958 -12.299 1.00 0.00 C ATOM 639 CD LYS A 39 -1.865 -10.437 -12.570 1.00 0.00 C ATOM 640 CE LYS A 39 -1.874 -10.735 -14.060 1.00 0.00 C ATOM 641 NZ LYS A 39 -2.100 -12.181 -14.336 1.00 0.00 N ATOM 0 H LYS A 39 -3.097 -6.806 -10.243 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.976 -6.206 -12.922 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.747 -8.558 -12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.042 -8.222 -13.747 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.785 -8.606 -12.865 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.419 -8.810 -11.244 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.078 -11.016 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.810 -10.754 -12.129 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.654 -10.147 -14.543 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.925 -10.426 -14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.099 -12.343 -15.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.342 -12.741 -13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.017 -12.471 -13.941 1.00 0.00 H new ATOM 655 N ARG A 40 -4.347 -4.938 -11.730 1.00 0.00 N ATOM 656 CA ARG A 40 -5.577 -4.161 -11.836 1.00 0.00 C ATOM 657 C ARG A 40 -5.269 -2.691 -12.067 1.00 0.00 C ATOM 658 O ARG A 40 -5.610 -2.123 -13.106 1.00 0.00 O ATOM 659 CB ARG A 40 -6.389 -4.306 -10.550 1.00 0.00 C ATOM 660 CG ARG A 40 -7.891 -4.241 -10.760 1.00 0.00 C ATOM 661 CD ARG A 40 -8.642 -4.470 -9.457 1.00 0.00 C ATOM 662 NE ARG A 40 -8.185 -3.574 -8.398 1.00 0.00 N ATOM 663 CZ ARG A 40 -8.333 -3.828 -7.101 1.00 0.00 C ATOM 664 NH1 ARG A 40 -8.923 -4.947 -6.703 1.00 0.00 N ATOM 665 NH2 ARG A 40 -7.890 -2.961 -6.199 1.00 0.00 N ATOM 0 H ARG A 40 -3.730 -4.642 -10.973 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.149 -4.539 -12.684 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.139 -5.257 -10.079 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.095 -3.519 -9.855 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.161 -3.269 -11.172 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.191 -4.991 -11.492 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.709 -4.321 -9.622 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.510 -5.504 -9.139 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.726 -2.704 -8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.265 -5.616 -7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.035 -5.138 -5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.436 -2.099 -6.500 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.004 -3.157 -5.204 1.00 0.00 H new ATOM 679 N ASP A 41 -4.625 -2.084 -11.076 1.00 0.00 N ATOM 680 CA ASP A 41 -4.255 -0.679 -11.126 1.00 0.00 C ATOM 681 C ASP A 41 -3.630 -0.311 -12.465 1.00 0.00 C ATOM 682 O ASP A 41 -2.510 -0.717 -12.777 1.00 0.00 O ATOM 683 CB ASP A 41 -3.281 -0.365 -9.995 1.00 0.00 C ATOM 684 CG ASP A 41 -3.960 -0.329 -8.639 1.00 0.00 C ATOM 685 OD1 ASP A 41 -4.451 0.751 -8.250 1.00 0.00 O ATOM 686 OD2 ASP A 41 -4.001 -1.382 -7.967 1.00 0.00 O ATOM 0 H ASP A 41 -4.346 -2.555 -10.216 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.162 -0.086 -11.008 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.490 -1.115 -9.982 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.805 0.597 -10.186 1.00 0.00 H new ATOM 691 N SER A 42 -4.372 0.455 -13.250 1.00 0.00 N ATOM 692 CA SER A 42 -3.908 0.899 -14.560 1.00 0.00 C ATOM 693 C SER A 42 -3.171 2.241 -14.468 1.00 0.00 C ATOM 694 O SER A 42 -2.094 2.394 -15.043 1.00 0.00 O ATOM 695 CB SER A 42 -5.084 1.007 -15.536 1.00 0.00 C ATOM 696 OG SER A 42 -4.649 1.440 -16.813 1.00 0.00 O ATOM 0 H SER A 42 -5.305 0.785 -13.002 1.00 0.00 H new ATOM 0 HA SER A 42 -3.205 0.154 -14.933 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.577 0.039 -15.625 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.823 1.706 -15.144 1.00 0.00 H new ATOM 0 HG SER A 42 -5.418 1.499 -17.418 1.00 0.00 H new ATOM 702 N PRO A 43 -3.738 3.240 -13.751 1.00 0.00 N ATOM 703 CA PRO A 43 -3.102 4.555 -13.604 1.00 0.00 C ATOM 704 C PRO A 43 -1.675 4.458 -13.070 1.00 0.00 C ATOM 705 O PRO A 43 -0.728 4.890 -13.727 1.00 0.00 O ATOM 706 CB PRO A 43 -3.998 5.282 -12.597 1.00 0.00 C ATOM 707 CG PRO A 43 -5.323 4.614 -12.713 1.00 0.00 C ATOM 708 CD PRO A 43 -5.035 3.177 -13.046 1.00 0.00 C ATOM 0 HA PRO A 43 -3.014 5.067 -14.562 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.602 5.201 -11.585 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.070 6.345 -12.827 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.883 4.694 -11.781 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.929 5.081 -13.490 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.975 2.561 -12.149 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -5.814 2.747 -13.676 1.00 0.00 H new ATOM 716 N ILE A 44 -1.527 3.894 -11.873 1.00 0.00 N ATOM 717 CA ILE A 44 -0.223 3.748 -11.250 1.00 0.00 C ATOM 718 C ILE A 44 0.519 2.524 -11.791 1.00 0.00 C ATOM 719 O ILE A 44 1.274 1.862 -11.077 1.00 0.00 O ATOM 720 CB ILE A 44 -0.373 3.653 -9.719 1.00 0.00 C ATOM 721 CG1 ILE A 44 0.971 3.850 -9.022 1.00 0.00 C ATOM 722 CG2 ILE A 44 -0.999 2.325 -9.317 1.00 0.00 C ATOM 723 CD1 ILE A 44 1.525 5.253 -9.151 1.00 0.00 C ATOM 0 H ILE A 44 -2.301 3.531 -11.317 1.00 0.00 H new ATOM 0 HA ILE A 44 0.368 4.630 -11.494 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.039 4.454 -9.398 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.861 3.609 -7.965 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.692 3.145 -9.436 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.095 2.281 -8.232 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.985 2.235 -9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.366 1.506 -9.659 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.481 5.316 -8.631 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.669 5.492 -10.205 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.825 5.963 -8.710 1.00 0.00 H new ATOM 735 N GLN A 45 0.305 2.236 -13.068 1.00 0.00 N ATOM 736 CA GLN A 45 0.954 1.104 -13.717 1.00 0.00 C ATOM 737 C GLN A 45 2.013 1.600 -14.694 1.00 0.00 C ATOM 738 O GLN A 45 2.277 0.974 -15.720 1.00 0.00 O ATOM 739 CB GLN A 45 -0.074 0.240 -14.447 1.00 0.00 C ATOM 740 CG GLN A 45 0.203 -1.250 -14.339 1.00 0.00 C ATOM 741 CD GLN A 45 1.511 -1.652 -14.993 1.00 0.00 C ATOM 742 OE1 GLN A 45 1.540 -2.036 -16.162 1.00 0.00 O ATOM 743 NE2 GLN A 45 2.603 -1.550 -14.245 1.00 0.00 N ATOM 0 H GLN A 45 -0.314 2.772 -13.676 1.00 0.00 H new ATOM 0 HA GLN A 45 1.434 0.494 -12.952 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -1.065 0.448 -14.043 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.093 0.523 -15.499 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.225 -1.536 -13.287 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.615 -1.802 -14.803 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.532 -1.227 -13.280 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.513 -1.795 -14.635 1.00 0.00 H new ATOM 752 N CYS A 46 2.608 2.737 -14.360 1.00 0.00 N ATOM 753 CA CYS A 46 3.637 3.348 -15.191 1.00 0.00 C ATOM 754 C CYS A 46 4.848 2.433 -15.338 1.00 0.00 C ATOM 755 O CYS A 46 4.984 1.721 -16.334 1.00 0.00 O ATOM 756 CB CYS A 46 4.063 4.682 -14.582 1.00 0.00 C ATOM 757 SG CYS A 46 5.534 5.429 -15.356 1.00 0.00 S ATOM 0 H CYS A 46 2.393 3.259 -13.511 1.00 0.00 H new ATOM 0 HA CYS A 46 3.220 3.514 -16.184 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.232 5.384 -14.658 1.00 0.00 H new ATOM 0 HB3 CYS A 46 4.261 4.536 -13.520 1.00 0.00 H new ATOM 762 N ILE A 47 5.724 2.462 -14.341 1.00 0.00 N ATOM 763 CA ILE A 47 6.929 1.646 -14.352 1.00 0.00 C ATOM 764 C ILE A 47 7.169 1.006 -12.989 1.00 0.00 C ATOM 765 O ILE A 47 7.634 1.660 -12.056 1.00 0.00 O ATOM 766 CB ILE A 47 8.157 2.490 -14.753 1.00 0.00 C ATOM 767 CG1 ILE A 47 8.003 2.977 -16.196 1.00 0.00 C ATOM 768 CG2 ILE A 47 9.441 1.685 -14.584 1.00 0.00 C ATOM 769 CD1 ILE A 47 9.163 3.821 -16.686 1.00 0.00 C ATOM 0 H ILE A 47 5.620 3.046 -13.511 1.00 0.00 H new ATOM 0 HA ILE A 47 6.785 0.856 -15.089 1.00 0.00 H new ATOM 0 HB ILE A 47 8.219 3.358 -14.097 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.893 2.113 -16.851 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.084 3.558 -16.277 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.295 2.298 -14.872 1.00 0.00 H new ATOM 0 HG22 ILE A 47 9.546 1.382 -13.542 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.401 0.799 -15.217 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.980 4.128 -17.716 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.261 4.705 -16.056 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.083 3.238 -16.639 1.00 0.00 H new ATOM 781 N GLN A 48 6.846 -0.280 -12.882 1.00 0.00 N ATOM 782 CA GLN A 48 7.024 -1.014 -11.635 1.00 0.00 C ATOM 783 C GLN A 48 8.493 -1.359 -11.411 1.00 0.00 C ATOM 784 O GLN A 48 9.023 -2.290 -12.018 1.00 0.00 O ATOM 785 CB GLN A 48 6.184 -2.292 -11.646 1.00 0.00 C ATOM 786 CG GLN A 48 4.692 -2.038 -11.804 1.00 0.00 C ATOM 787 CD GLN A 48 3.869 -3.311 -11.745 1.00 0.00 C ATOM 788 OE1 GLN A 48 2.721 -3.301 -11.301 1.00 0.00 O ATOM 789 NE2 GLN A 48 4.451 -4.418 -12.197 1.00 0.00 N ATOM 0 H GLN A 48 6.459 -0.835 -13.645 1.00 0.00 H new ATOM 0 HA GLN A 48 6.691 -0.376 -10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.523 -2.933 -12.460 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.355 -2.837 -10.718 1.00 0.00 H new ATOM 0 HG2 GLN A 48 4.359 -1.359 -11.019 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.512 -1.538 -12.756 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.405 -4.382 -12.557 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.944 -5.303 -12.184 1.00 0.00 H new ATOM 798 N ALA A 49 9.146 -0.601 -10.536 1.00 0.00 N ATOM 799 CA ALA A 49 10.553 -0.825 -10.229 1.00 0.00 C ATOM 800 C ALA A 49 10.720 -1.413 -8.831 1.00 0.00 C ATOM 801 O ALA A 49 10.758 -2.656 -8.715 1.00 0.00 O ATOM 802 CB ALA A 49 11.334 0.474 -10.356 1.00 0.00 C ATOM 803 OXT ALA A 49 10.810 -0.626 -7.865 1.00 0.00 O ATOM 0 H ALA A 49 8.722 0.175 -10.027 1.00 0.00 H new ATOM 0 HA ALA A 49 10.948 -1.543 -10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.383 0.292 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 49 11.248 0.852 -11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 49 10.931 1.210 -9.661 1.00 0.00 H new TER 809 ALA A 49