USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 583 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 2 SER OG : rot 180:sc=-0.00863 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.038 K(o=-0.038,f=-0.73) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 ILE N :NH3+ 177:sc= -4.12! (180deg=-4.31!) USER MOD Single : A 17 LYS NZ :NH3+ -127:sc= 0.375 (180deg=-0.838!) USER MOD Single : A 21 ASN : amide:sc= -2.98 X(o=-3,f=-3.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0355 USER MOD Single : A 33 ASN : amide:sc= -1.31! C(o=-1.3!,f=-6.5!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.603 USER MOD Single : A 46 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.4!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= -3.48! USER MOD Single : A 51 SER OG : rot 83:sc= -0.817! USER MOD Single : A 58 LYS NZ :NH3+ -156:sc= 0.0702 (180deg=-1.13) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.515) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -2.03 K(o=-2,f=-3.4!) USER MOD Single : A 69 SER OG : rot -16:sc= 0.793 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -25.808 -2.327 12.683 1.00 0.00 N ATOM 2 CA ILE A -2 -26.000 -0.874 12.937 1.00 0.00 C ATOM 3 C ILE A -2 -25.316 -0.036 11.863 1.00 0.00 C ATOM 4 O ILE A -2 -25.863 0.967 11.405 1.00 0.00 O ATOM 5 CB ILE A -2 -25.468 -0.448 14.326 1.00 0.00 C ATOM 6 CG1 ILE A -2 -24.177 -1.199 14.686 1.00 0.00 C ATOM 7 CG2 ILE A -2 -26.533 -0.663 15.391 1.00 0.00 C ATOM 8 CD1 ILE A -2 -24.387 -2.648 15.084 1.00 0.00 C ATOM 0 H1 ILE A -2 -26.239 -2.874 13.455 1.00 0.00 H new ATOM 0 H2 ILE A -2 -26.259 -2.584 11.782 1.00 0.00 H new ATOM 0 H3 ILE A -2 -24.791 -2.540 12.634 1.00 0.00 H new ATOM 0 HA ILE A -2 -27.075 -0.697 12.911 1.00 0.00 H new ATOM 0 HB ILE A -2 -25.229 0.615 14.283 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -23.500 -1.163 13.832 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -23.684 -0.677 15.506 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -26.143 -0.359 16.362 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -27.414 -0.067 15.151 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -26.807 -1.718 15.424 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -23.425 -3.103 15.322 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -25.037 -2.695 15.958 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -24.850 -3.189 14.258 1.00 0.00 H new ATOM 22 N SER A -1 -24.120 -0.451 11.462 1.00 0.00 N ATOM 23 CA SER A -1 -23.369 0.262 10.436 1.00 0.00 C ATOM 24 C SER A -1 -22.934 -0.697 9.332 1.00 0.00 C ATOM 25 O SER A -1 -23.220 -0.472 8.157 1.00 0.00 O ATOM 26 CB SER A -1 -22.150 0.955 11.048 1.00 0.00 C ATOM 27 OG SER A -1 -22.076 2.310 10.639 1.00 0.00 O ATOM 0 H SER A -1 -23.650 -1.277 11.832 1.00 0.00 H new ATOM 0 HA SER A -1 -24.017 1.023 10.001 1.00 0.00 H new ATOM 0 HB2 SER A -1 -22.205 0.902 12.135 1.00 0.00 H new ATOM 0 HB3 SER A -1 -21.242 0.431 10.749 1.00 0.00 H new ATOM 0 HG SER A -1 -21.290 2.732 11.045 1.00 0.00 H new ATOM 33 N SER A 2 -22.253 -1.773 9.724 1.00 0.00 N ATOM 34 CA SER A 2 -21.784 -2.788 8.778 1.00 0.00 C ATOM 35 C SER A 2 -21.169 -2.152 7.529 1.00 0.00 C ATOM 36 O SER A 2 -21.886 -1.725 6.624 1.00 0.00 O ATOM 37 CB SER A 2 -22.937 -3.713 8.382 1.00 0.00 C ATOM 38 OG SER A 2 -24.053 -3.534 9.237 1.00 0.00 O ATOM 0 H SER A 2 -22.012 -1.966 10.696 1.00 0.00 H new ATOM 0 HA SER A 2 -21.007 -3.371 9.274 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.229 -3.513 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.606 -4.751 8.424 1.00 0.00 H new ATOM 0 HG SER A 2 -24.776 -4.135 8.961 1.00 0.00 H new ATOM 44 N PRO A 3 -19.827 -2.079 7.463 1.00 0.00 N ATOM 45 CA PRO A 3 -19.135 -1.491 6.320 1.00 0.00 C ATOM 46 C PRO A 3 -19.131 -2.399 5.090 1.00 0.00 C ATOM 47 O PRO A 3 -18.071 -2.766 4.584 1.00 0.00 O ATOM 48 CB PRO A 3 -17.713 -1.263 6.823 1.00 0.00 C ATOM 49 CG PRO A 3 -17.531 -2.190 7.972 1.00 0.00 C ATOM 50 CD PRO A 3 -18.895 -2.561 8.494 1.00 0.00 C ATOM 0 HA PRO A 3 -19.631 -0.579 5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.984 -1.466 6.038 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -17.569 -0.227 7.131 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -16.988 -3.082 7.659 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -16.940 -1.715 8.755 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -18.985 -3.638 8.639 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.092 -2.092 9.458 1.00 0.00 H new ATOM 58 N LYS A 4 -20.319 -2.752 4.608 1.00 0.00 N ATOM 59 CA LYS A 4 -20.439 -3.611 3.432 1.00 0.00 C ATOM 60 C LYS A 4 -19.847 -2.936 2.201 1.00 0.00 C ATOM 61 O LYS A 4 -19.027 -3.521 1.494 1.00 0.00 O ATOM 62 CB LYS A 4 -21.905 -3.960 3.165 1.00 0.00 C ATOM 63 CG LYS A 4 -22.434 -5.086 4.037 1.00 0.00 C ATOM 64 CD LYS A 4 -23.267 -4.551 5.187 1.00 0.00 C ATOM 65 CE LYS A 4 -24.745 -4.514 4.837 1.00 0.00 C ATOM 66 NZ LYS A 4 -25.380 -5.854 4.976 1.00 0.00 N ATOM 0 H LYS A 4 -21.209 -2.459 5.011 1.00 0.00 H new ATOM 0 HA LYS A 4 -19.883 -4.527 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -22.516 -3.071 3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -22.018 -4.240 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -23.038 -5.763 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -21.599 -5.667 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -23.117 -5.176 6.067 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -22.929 -3.548 5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -25.254 -3.801 5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -24.868 -4.158 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -26.388 -5.788 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -24.911 -6.528 4.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -25.286 -6.183 5.958 1.00 0.00 H new ATOM 80 N GLN A 5 -20.281 -1.706 1.940 1.00 0.00 N ATOM 81 CA GLN A 5 -19.806 -0.949 0.794 1.00 0.00 C ATOM 82 C GLN A 5 -18.278 -0.807 0.826 1.00 0.00 C ATOM 83 O GLN A 5 -17.563 -1.781 0.594 1.00 0.00 O ATOM 84 CB GLN A 5 -20.495 0.416 0.761 1.00 0.00 C ATOM 85 CG GLN A 5 -20.744 0.999 2.138 1.00 0.00 C ATOM 86 CD GLN A 5 -20.557 2.502 2.186 1.00 0.00 C ATOM 87 OE1 GLN A 5 -20.651 3.183 1.165 1.00 0.00 O ATOM 88 NE2 GLN A 5 -20.292 3.026 3.377 1.00 0.00 N ATOM 0 H GLN A 5 -20.966 -1.213 2.513 1.00 0.00 H new ATOM 0 HA GLN A 5 -20.059 -1.487 -0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.882 1.110 0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -21.446 0.322 0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -21.759 0.754 2.452 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.067 0.531 2.853 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -20.223 2.422 4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.157 4.032 3.473 1.00 0.00 H new ATOM 97 N GLU A 6 -17.778 0.402 1.109 1.00 0.00 N ATOM 98 CA GLU A 6 -16.341 0.657 1.164 1.00 0.00 C ATOM 99 C GLU A 6 -15.615 0.063 -0.040 1.00 0.00 C ATOM 100 O GLU A 6 -15.352 -1.137 -0.101 1.00 0.00 O ATOM 101 CB GLU A 6 -15.736 0.134 2.474 1.00 0.00 C ATOM 102 CG GLU A 6 -15.813 -1.376 2.651 1.00 0.00 C ATOM 103 CD GLU A 6 -15.027 -1.862 3.854 1.00 0.00 C ATOM 104 OE1 GLU A 6 -14.295 -1.048 4.456 1.00 0.00 O ATOM 105 OE2 GLU A 6 -15.146 -3.058 4.198 1.00 0.00 O ATOM 0 H GLU A 6 -18.355 1.221 1.304 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.205 1.738 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.691 0.439 2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.247 0.611 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.856 -1.673 2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -15.434 -1.863 1.753 1.00 0.00 H new ATOM 112 N GLU A 7 -15.302 0.920 -1.004 1.00 0.00 N ATOM 113 CA GLU A 7 -14.604 0.504 -2.209 1.00 0.00 C ATOM 114 C GLU A 7 -13.305 -0.217 -1.854 1.00 0.00 C ATOM 115 O GLU A 7 -13.076 -0.572 -0.698 1.00 0.00 O ATOM 116 CB GLU A 7 -14.299 1.698 -3.136 1.00 0.00 C ATOM 117 CG GLU A 7 -15.027 3.002 -2.817 1.00 0.00 C ATOM 118 CD GLU A 7 -16.147 3.297 -3.796 1.00 0.00 C ATOM 119 OE1 GLU A 7 -16.874 2.351 -4.169 1.00 0.00 O ATOM 120 OE2 GLU A 7 -16.298 4.472 -4.190 1.00 0.00 O ATOM 0 H GLU A 7 -15.524 1.915 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.264 -0.179 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.226 1.889 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.544 1.410 -4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.436 2.949 -1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.313 3.825 -2.828 1.00 0.00 H new ATOM 127 N TYR A 8 -12.457 -0.429 -2.855 1.00 0.00 N ATOM 128 CA TYR A 8 -11.182 -1.109 -2.653 1.00 0.00 C ATOM 129 C TYR A 8 -10.487 -0.629 -1.377 1.00 0.00 C ATOM 130 O TYR A 8 -10.471 -1.341 -0.373 1.00 0.00 O ATOM 131 CB TYR A 8 -10.277 -0.893 -3.869 1.00 0.00 C ATOM 132 CG TYR A 8 -10.947 -1.171 -5.202 1.00 0.00 C ATOM 133 CD1 TYR A 8 -12.087 -1.965 -5.285 1.00 0.00 C ATOM 134 CD2 TYR A 8 -10.433 -0.640 -6.378 1.00 0.00 C ATOM 135 CE1 TYR A 8 -12.692 -2.219 -6.502 1.00 0.00 C ATOM 136 CE2 TYR A 8 -11.032 -0.891 -7.599 1.00 0.00 C ATOM 137 CZ TYR A 8 -12.160 -1.681 -7.655 1.00 0.00 C ATOM 138 OH TYR A 8 -12.758 -1.934 -8.867 1.00 0.00 O ATOM 0 H TYR A 8 -12.630 -0.139 -3.817 1.00 0.00 H new ATOM 0 HA TYR A 8 -11.380 -2.175 -2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -9.919 0.137 -3.863 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.401 -1.535 -3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.506 -2.389 -4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.550 -0.020 -6.338 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -13.577 -2.836 -6.549 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.618 -0.470 -8.504 1.00 0.00 H new ATOM 0 HH TYR A 8 -12.260 -1.480 -9.579 1.00 0.00 H new ATOM 148 N GLU A 9 -9.915 0.579 -1.431 1.00 0.00 N ATOM 149 CA GLU A 9 -9.213 1.175 -0.287 1.00 0.00 C ATOM 150 C GLU A 9 -8.515 0.119 0.573 1.00 0.00 C ATOM 151 O GLU A 9 -8.906 -0.122 1.715 1.00 0.00 O ATOM 152 CB GLU A 9 -10.193 1.986 0.568 1.00 0.00 C ATOM 153 CG GLU A 9 -11.244 1.139 1.272 1.00 0.00 C ATOM 154 CD GLU A 9 -11.223 1.301 2.783 1.00 0.00 C ATOM 155 OE1 GLU A 9 -10.531 2.218 3.273 1.00 0.00 O ATOM 156 OE2 GLU A 9 -11.898 0.509 3.473 1.00 0.00 O ATOM 0 H GLU A 9 -9.925 1.169 -2.263 1.00 0.00 H new ATOM 0 HA GLU A 9 -8.442 1.836 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.631 2.545 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.695 2.717 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.231 1.409 0.897 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.084 0.090 1.022 1.00 0.00 H new ATOM 163 N VAL A 10 -7.493 -0.521 0.011 1.00 0.00 N ATOM 164 CA VAL A 10 -6.755 -1.560 0.728 1.00 0.00 C ATOM 165 C VAL A 10 -5.736 -2.237 -0.169 1.00 0.00 C ATOM 166 O VAL A 10 -5.708 -2.027 -1.381 1.00 0.00 O ATOM 167 CB VAL A 10 -7.703 -2.670 1.246 1.00 0.00 C ATOM 168 CG1 VAL A 10 -8.212 -3.521 0.092 1.00 0.00 C ATOM 169 CG2 VAL A 10 -7.013 -3.545 2.282 1.00 0.00 C ATOM 0 H VAL A 10 -7.157 -0.340 -0.935 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.260 -1.057 1.559 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.553 -2.184 1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.876 -4.295 0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.757 -2.892 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.368 -3.987 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.704 -4.315 2.626 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.138 -4.017 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -6.702 -2.931 3.128 1.00 0.00 H new ATOM 179 N GLU A 11 -4.952 -3.108 0.440 1.00 0.00 N ATOM 180 CA GLU A 11 -3.975 -3.890 -0.282 1.00 0.00 C ATOM 181 C GLU A 11 -2.959 -3.016 -0.983 1.00 0.00 C ATOM 182 O GLU A 11 -3.133 -1.806 -1.120 1.00 0.00 O ATOM 183 CB GLU A 11 -4.682 -4.788 -1.303 1.00 0.00 C ATOM 184 CG GLU A 11 -5.941 -5.456 -0.762 1.00 0.00 C ATOM 185 CD GLU A 11 -7.025 -5.603 -1.812 1.00 0.00 C ATOM 186 OE1 GLU A 11 -6.906 -4.970 -2.882 1.00 0.00 O ATOM 187 OE2 GLU A 11 -7.999 -6.345 -1.561 1.00 0.00 O ATOM 0 H GLU A 11 -4.977 -3.290 1.443 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.439 -4.503 0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.944 -4.193 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.988 -5.559 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.685 -6.440 -0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.327 -4.871 0.073 1.00 0.00 H new ATOM 194 N ARG A 12 -1.900 -3.662 -1.430 1.00 0.00 N ATOM 195 CA ARG A 12 -0.823 -3.004 -2.134 1.00 0.00 C ATOM 196 C ARG A 12 -0.214 -1.862 -1.313 1.00 0.00 C ATOM 197 O ARG A 12 -0.821 -1.372 -0.361 1.00 0.00 O ATOM 198 CB ARG A 12 -1.250 -2.567 -3.542 1.00 0.00 C ATOM 199 CG ARG A 12 -2.537 -3.203 -4.061 1.00 0.00 C ATOM 200 CD ARG A 12 -2.256 -4.213 -5.163 1.00 0.00 C ATOM 201 NE ARG A 12 -2.623 -3.709 -6.487 1.00 0.00 N ATOM 202 CZ ARG A 12 -3.778 -3.974 -7.097 1.00 0.00 C ATOM 203 NH1 ARG A 12 -4.711 -4.697 -6.488 1.00 0.00 N ATOM 204 NH2 ARG A 12 -4.004 -3.506 -8.320 1.00 0.00 N ATOM 0 H ARG A 12 -1.764 -4.666 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.026 -3.735 -2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.372 -1.484 -3.547 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.443 -2.800 -4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.058 -3.695 -3.239 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.201 -2.426 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.197 -4.470 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.808 -5.131 -4.961 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.951 -3.116 -6.975 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.546 -5.054 -5.547 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.592 -4.895 -6.962 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.294 -2.945 -8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.887 -3.708 -8.788 1.00 0.00 H new ATOM 218 N ILE A 13 1.017 -1.481 -1.668 1.00 0.00 N ATOM 219 CA ILE A 13 1.747 -0.432 -0.955 1.00 0.00 C ATOM 220 C ILE A 13 0.900 0.837 -0.839 1.00 0.00 C ATOM 221 O ILE A 13 -0.269 0.843 -1.222 1.00 0.00 O ATOM 222 CB ILE A 13 3.119 -0.138 -1.627 1.00 0.00 C ATOM 223 CG1 ILE A 13 3.840 -1.437 -2.007 1.00 0.00 C ATOM 224 CG2 ILE A 13 4.013 0.679 -0.700 1.00 0.00 C ATOM 225 CD1 ILE A 13 4.267 -2.269 -0.821 1.00 0.00 C ATOM 0 H ILE A 13 1.530 -1.887 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 13 1.951 -0.792 0.053 1.00 0.00 H new ATOM 0 HB ILE A 13 2.919 0.434 -2.533 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.183 -2.034 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.720 -1.192 -2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.967 0.872 -1.191 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.526 1.626 -0.467 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.186 0.123 0.222 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.770 -3.171 -1.171 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.950 -1.691 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.390 -2.546 -0.236 1.00 0.00 H new ATOM 237 N VAL A 14 1.491 1.914 -0.341 1.00 0.00 N ATOM 238 CA VAL A 14 0.795 3.188 -0.188 1.00 0.00 C ATOM 239 C VAL A 14 1.802 4.259 0.241 1.00 0.00 C ATOM 240 O VAL A 14 1.664 5.429 -0.114 1.00 0.00 O ATOM 241 CB VAL A 14 -0.376 3.092 0.829 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.153 1.943 1.781 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.574 4.384 1.613 1.00 0.00 C ATOM 0 H VAL A 14 2.463 1.932 -0.032 1.00 0.00 H new ATOM 0 HA VAL A 14 0.355 3.460 -1.147 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.284 2.918 0.251 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.982 1.889 2.487 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.094 1.011 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.778 2.098 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.404 4.264 2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.335 4.616 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.795 5.198 0.923 1.00 0.00 H new ATOM 253 N ASP A 15 2.853 3.834 0.956 1.00 0.00 N ATOM 254 CA ASP A 15 3.917 4.746 1.375 1.00 0.00 C ATOM 255 C ASP A 15 5.167 3.928 1.678 1.00 0.00 C ATOM 256 O ASP A 15 5.094 2.706 1.702 1.00 0.00 O ATOM 257 CB ASP A 15 3.493 5.566 2.593 1.00 0.00 C ATOM 258 CG ASP A 15 4.472 6.682 2.906 1.00 0.00 C ATOM 259 OD1 ASP A 15 4.382 7.748 2.260 1.00 0.00 O ATOM 260 OD2 ASP A 15 5.327 6.491 3.794 1.00 0.00 O ATOM 0 H ASP A 15 2.986 2.867 1.254 1.00 0.00 H new ATOM 0 HA ASP A 15 4.126 5.452 0.572 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.505 5.992 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.406 4.909 3.458 1.00 0.00 H new ATOM 265 N GLU A 16 6.321 4.569 1.850 1.00 0.00 N ATOM 266 CA GLU A 16 7.546 3.808 2.090 1.00 0.00 C ATOM 267 C GLU A 16 8.629 4.624 2.804 1.00 0.00 C ATOM 268 O GLU A 16 8.697 5.848 2.684 1.00 0.00 O ATOM 269 CB GLU A 16 8.072 3.257 0.756 1.00 0.00 C ATOM 270 CG GLU A 16 7.595 4.045 -0.449 1.00 0.00 C ATOM 271 CD GLU A 16 7.842 5.537 -0.313 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.985 5.920 0.014 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.894 6.318 -0.535 1.00 0.00 O ATOM 0 H GLU A 16 6.435 5.582 1.829 1.00 0.00 H new ATOM 0 HA GLU A 16 7.296 2.986 2.761 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.162 3.259 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.757 2.219 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.102 3.678 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.529 3.870 -0.593 1.00 0.00 H new ATOM 280 N LYS A 17 9.479 3.904 3.538 1.00 0.00 N ATOM 281 CA LYS A 17 10.590 4.484 4.294 1.00 0.00 C ATOM 282 C LYS A 17 11.925 3.891 3.858 1.00 0.00 C ATOM 283 O LYS A 17 12.130 2.668 3.952 1.00 0.00 O ATOM 284 CB LYS A 17 10.447 4.192 5.782 1.00 0.00 C ATOM 285 CG LYS A 17 9.999 5.378 6.618 1.00 0.00 C ATOM 286 CD LYS A 17 8.738 5.072 7.412 1.00 0.00 C ATOM 287 CE LYS A 17 8.701 3.637 7.927 1.00 0.00 C ATOM 288 NZ LYS A 17 7.836 3.499 9.129 1.00 0.00 N ATOM 0 H LYS A 17 9.414 2.890 3.625 1.00 0.00 H new ATOM 0 HA LYS A 17 10.565 5.557 4.102 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.731 3.381 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.404 3.836 6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.798 5.662 7.302 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.819 6.233 5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.669 5.758 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.865 5.251 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.335 2.978 7.139 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.713 3.312 8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.373 3.040 9.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.525 4.440 9.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.005 2.920 8.894 1.00 0.00 H new ATOM 302 N LEU A 18 12.838 4.755 3.431 1.00 0.00 N ATOM 303 CA LEU A 18 14.170 4.332 3.018 1.00 0.00 C ATOM 304 C LEU A 18 15.226 4.873 3.971 1.00 0.00 C ATOM 305 O LEU A 18 14.958 5.763 4.778 1.00 0.00 O ATOM 306 CB LEU A 18 14.494 4.802 1.596 1.00 0.00 C ATOM 307 CG LEU A 18 13.293 4.944 0.659 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.724 5.536 -0.677 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.624 3.592 0.457 1.00 0.00 C ATOM 0 H LEU A 18 12.678 5.760 3.362 1.00 0.00 H new ATOM 0 HA LEU A 18 14.180 3.242 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 18 15.001 5.765 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 18 15.198 4.099 1.151 1.00 0.00 H new ATOM 0 HG LEU A 18 12.573 5.623 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.857 5.630 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.163 6.520 -0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 18 14.461 4.882 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.770 3.705 -0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.338 2.894 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.284 3.207 1.418 1.00 0.00 H new ATOM 321 N ASP A 19 16.426 4.322 3.867 1.00 0.00 N ATOM 322 CA ASP A 19 17.541 4.734 4.717 1.00 0.00 C ATOM 323 C ASP A 19 18.495 5.659 3.956 1.00 0.00 C ATOM 324 O ASP A 19 18.196 6.098 2.846 1.00 0.00 O ATOM 325 CB ASP A 19 18.290 3.499 5.225 1.00 0.00 C ATOM 326 CG ASP A 19 18.731 2.590 4.096 1.00 0.00 C ATOM 327 OD1 ASP A 19 19.037 3.109 3.003 1.00 0.00 O ATOM 328 OD2 ASP A 19 18.767 1.359 4.304 1.00 0.00 O ATOM 0 H ASP A 19 16.656 3.585 3.200 1.00 0.00 H new ATOM 0 HA ASP A 19 17.143 5.286 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.163 3.815 5.796 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.648 2.942 5.907 1.00 0.00 H new ATOM 333 N ARG A 20 19.652 5.930 4.556 1.00 0.00 N ATOM 334 CA ARG A 20 20.664 6.789 3.937 1.00 0.00 C ATOM 335 C ARG A 20 21.365 6.077 2.776 1.00 0.00 C ATOM 336 O ARG A 20 22.174 6.673 2.064 1.00 0.00 O ATOM 337 CB ARG A 20 21.698 7.216 4.980 1.00 0.00 C ATOM 338 CG ARG A 20 22.258 6.058 5.794 1.00 0.00 C ATOM 339 CD ARG A 20 22.000 6.240 7.280 1.00 0.00 C ATOM 340 NE ARG A 20 20.633 5.876 7.652 1.00 0.00 N ATOM 341 CZ ARG A 20 20.255 4.644 7.992 1.00 0.00 C ATOM 342 NH1 ARG A 20 21.134 3.649 8.002 1.00 0.00 N ATOM 343 NH2 ARG A 20 18.992 4.406 8.323 1.00 0.00 N ATOM 0 H ARG A 20 19.914 5.567 5.472 1.00 0.00 H new ATOM 0 HA ARG A 20 20.159 7.670 3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.520 7.726 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 20 21.242 7.938 5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 20 21.806 5.125 5.458 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.330 5.975 5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 20 22.704 5.630 7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.185 7.278 7.555 1.00 0.00 H new ATOM 0 HE ARG A 20 19.925 6.610 7.651 1.00 0.00 H new ATOM 0 HH11 ARG A 20 22.106 3.825 7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.837 2.709 8.263 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.311 5.166 8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.702 3.463 8.583 1.00 0.00 H new ATOM 357 N ASN A 21 21.054 4.798 2.604 1.00 0.00 N ATOM 358 CA ASN A 21 21.640 3.990 1.560 1.00 0.00 C ATOM 359 C ASN A 21 20.631 3.750 0.444 1.00 0.00 C ATOM 360 O ASN A 21 20.812 2.868 -0.395 1.00 0.00 O ATOM 361 CB ASN A 21 22.089 2.655 2.148 1.00 0.00 C ATOM 362 CG ASN A 21 22.147 2.653 3.665 1.00 0.00 C ATOM 363 OD1 ASN A 21 22.827 3.477 4.275 1.00 0.00 O ATOM 364 ND2 ASN A 21 21.433 1.719 4.280 1.00 0.00 N ATOM 0 H ASN A 21 20.386 4.298 3.190 1.00 0.00 H new ATOM 0 HA ASN A 21 22.499 4.515 1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.406 1.873 1.817 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.074 2.406 1.754 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.434 1.664 5.299 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.883 1.056 3.734 1.00 0.00 H new ATOM 371 N GLY A 22 19.561 4.538 0.450 1.00 0.00 N ATOM 372 CA GLY A 22 18.523 4.393 -0.545 1.00 0.00 C ATOM 373 C GLY A 22 17.890 3.020 -0.491 1.00 0.00 C ATOM 374 O GLY A 22 17.180 2.607 -1.409 1.00 0.00 O ATOM 0 H GLY A 22 19.397 5.278 1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.758 5.154 -0.388 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.942 4.563 -1.537 1.00 0.00 H new ATOM 378 N ALA A 23 18.157 2.320 0.602 1.00 0.00 N ATOM 379 CA ALA A 23 17.635 0.996 0.828 1.00 0.00 C ATOM 380 C ALA A 23 16.302 1.098 1.536 1.00 0.00 C ATOM 381 O ALA A 23 16.102 1.972 2.377 1.00 0.00 O ATOM 382 CB ALA A 23 18.629 0.197 1.652 1.00 0.00 C ATOM 0 H ALA A 23 18.748 2.665 1.358 1.00 0.00 H new ATOM 0 HA ALA A 23 17.484 0.484 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 23 18.236 -0.805 1.824 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.575 0.129 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.790 0.693 2.609 1.00 0.00 H new ATOM 388 N VAL A 24 15.386 0.218 1.193 1.00 0.00 N ATOM 389 CA VAL A 24 14.066 0.237 1.796 1.00 0.00 C ATOM 390 C VAL A 24 14.072 -0.510 3.122 1.00 0.00 C ATOM 391 O VAL A 24 14.266 -1.723 3.158 1.00 0.00 O ATOM 392 CB VAL A 24 13.032 -0.381 0.847 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.621 -0.061 1.315 1.00 0.00 C ATOM 394 CG2 VAL A 24 13.271 0.124 -0.572 1.00 0.00 C ATOM 0 H VAL A 24 15.528 -0.519 0.502 1.00 0.00 H new ATOM 0 HA VAL A 24 13.792 1.275 1.983 1.00 0.00 H new ATOM 0 HB VAL A 24 13.143 -1.465 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.900 -0.507 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.469 -0.466 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 24 11.481 1.020 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.535 -0.317 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 24 13.177 1.210 -0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 24 14.273 -0.159 -0.895 1.00 0.00 H new ATOM 404 N LYS A 25 13.870 0.222 4.212 1.00 0.00 N ATOM 405 CA LYS A 25 13.864 -0.378 5.536 1.00 0.00 C ATOM 406 C LYS A 25 12.451 -0.688 6.001 1.00 0.00 C ATOM 407 O LYS A 25 12.249 -1.574 6.831 1.00 0.00 O ATOM 408 CB LYS A 25 14.537 0.552 6.548 1.00 0.00 C ATOM 409 CG LYS A 25 16.045 0.638 6.388 1.00 0.00 C ATOM 410 CD LYS A 25 16.754 0.567 7.733 1.00 0.00 C ATOM 411 CE LYS A 25 17.500 -0.748 7.908 1.00 0.00 C ATOM 412 NZ LYS A 25 18.951 -0.535 8.166 1.00 0.00 N ATOM 0 H LYS A 25 13.709 1.229 4.203 1.00 0.00 H new ATOM 0 HA LYS A 25 14.421 -1.313 5.471 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.112 1.551 6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.306 0.206 7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.391 -0.175 5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.306 1.570 5.887 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.455 1.397 7.819 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.025 0.681 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 25 17.062 -1.306 8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.376 -1.357 7.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 19.422 -1.455 8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 19.375 -0.025 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 19.071 0.024 9.035 1.00 0.00 H new ATOM 426 N LEU A 26 11.472 0.040 5.476 1.00 0.00 N ATOM 427 CA LEU A 26 10.087 -0.181 5.878 1.00 0.00 C ATOM 428 C LEU A 26 9.110 0.311 4.827 1.00 0.00 C ATOM 429 O LEU A 26 9.464 1.104 3.974 1.00 0.00 O ATOM 430 CB LEU A 26 9.809 0.555 7.191 1.00 0.00 C ATOM 431 CG LEU A 26 9.709 -0.326 8.433 1.00 0.00 C ATOM 432 CD1 LEU A 26 9.841 0.526 9.687 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.395 -1.097 8.441 1.00 0.00 C ATOM 0 H LEU A 26 11.607 0.776 4.783 1.00 0.00 H new ATOM 0 HA LEU A 26 9.948 -1.255 6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.600 1.288 7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.877 1.110 7.085 1.00 0.00 H new ATOM 0 HG LEU A 26 10.524 -1.050 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.768 -0.111 10.569 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.806 1.032 9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.043 1.268 9.709 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.344 -1.719 9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.561 -0.395 8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.339 -1.729 7.555 1.00 0.00 H new ATOM 445 N TYR A 27 7.880 -0.179 4.893 1.00 0.00 N ATOM 446 CA TYR A 27 6.827 0.205 3.956 1.00 0.00 C ATOM 447 C TYR A 27 5.520 0.432 4.696 1.00 0.00 C ATOM 448 O TYR A 27 5.234 -0.231 5.693 1.00 0.00 O ATOM 449 CB TYR A 27 6.540 -0.899 2.931 1.00 0.00 C ATOM 450 CG TYR A 27 7.550 -1.048 1.836 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.603 -0.154 0.783 1.00 0.00 C ATOM 452 CD2 TYR A 27 8.430 -2.108 1.846 1.00 0.00 C ATOM 453 CE1 TYR A 27 8.520 -0.311 -0.236 1.00 0.00 C ATOM 454 CE2 TYR A 27 9.345 -2.284 0.839 1.00 0.00 C ATOM 455 CZ TYR A 27 9.393 -1.382 -0.204 1.00 0.00 C ATOM 456 OH TYR A 27 10.309 -1.553 -1.216 1.00 0.00 O ATOM 0 H TYR A 27 7.581 -0.854 5.597 1.00 0.00 H new ATOM 0 HA TYR A 27 7.181 1.107 3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.462 -1.849 3.460 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.567 -0.705 2.479 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.917 0.679 0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.399 -2.814 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.555 0.397 -1.051 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.024 -3.124 0.863 1.00 0.00 H new ATOM 0 HH TYR A 27 10.846 -2.353 -1.039 1.00 0.00 H new ATOM 466 N ARG A 28 4.709 1.320 4.158 1.00 0.00 N ATOM 467 CA ARG A 28 3.396 1.599 4.704 1.00 0.00 C ATOM 468 C ARG A 28 2.353 0.975 3.811 1.00 0.00 C ATOM 469 O ARG A 28 2.293 1.298 2.611 1.00 0.00 O ATOM 470 CB ARG A 28 3.121 3.094 4.775 1.00 0.00 C ATOM 471 CG ARG A 28 1.688 3.428 5.168 1.00 0.00 C ATOM 472 CD ARG A 28 1.482 4.922 5.340 1.00 0.00 C ATOM 473 NE ARG A 28 0.294 5.389 4.628 1.00 0.00 N ATOM 474 CZ ARG A 28 -0.158 6.639 4.673 1.00 0.00 C ATOM 475 NH1 ARG A 28 0.468 7.554 5.402 1.00 0.00 N ATOM 476 NH2 ARG A 28 -1.243 6.976 3.987 1.00 0.00 N ATOM 0 H ARG A 28 4.941 1.869 3.330 1.00 0.00 H new ATOM 0 HA ARG A 28 3.359 1.188 5.713 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.802 3.547 5.495 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.338 3.542 3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.006 3.053 4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.438 2.918 6.098 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.387 5.157 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.359 5.455 4.973 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.220 4.714 4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.302 7.301 5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.116 8.511 5.432 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.729 6.277 3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.591 7.934 4.021 1.00 0.00 H new ATOM 490 N ILE A 29 1.522 0.124 4.414 1.00 0.00 N ATOM 491 CA ILE A 29 0.437 -0.541 3.709 1.00 0.00 C ATOM 492 C ILE A 29 -0.877 -0.320 4.448 1.00 0.00 C ATOM 493 O ILE A 29 -1.002 -0.648 5.626 1.00 0.00 O ATOM 494 CB ILE A 29 0.680 -2.051 3.543 1.00 0.00 C ATOM 495 CG1 ILE A 29 2.090 -2.302 2.987 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.394 -2.645 2.633 1.00 0.00 C ATOM 497 CD1 ILE A 29 2.230 -3.594 2.208 1.00 0.00 C ATOM 0 H ILE A 29 1.586 -0.120 5.402 1.00 0.00 H new ATOM 0 HA ILE A 29 0.389 -0.102 2.712 1.00 0.00 H new ATOM 0 HB ILE A 29 0.615 -2.542 4.514 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.367 -1.469 2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.799 -2.312 3.815 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.221 -3.715 2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.377 -2.483 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.352 -2.162 1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.255 -3.694 1.851 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.987 -4.437 2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.549 -3.581 1.357 1.00 0.00 H new ATOM 509 N ARG A 30 -1.843 0.258 3.752 1.00 0.00 N ATOM 510 CA ARG A 30 -3.138 0.559 4.343 1.00 0.00 C ATOM 511 C ARG A 30 -4.161 -0.556 4.116 1.00 0.00 C ATOM 512 O ARG A 30 -4.049 -1.346 3.178 1.00 0.00 O ATOM 513 CB ARG A 30 -3.656 1.887 3.777 1.00 0.00 C ATOM 514 CG ARG A 30 -3.479 2.027 2.273 1.00 0.00 C ATOM 515 CD ARG A 30 -4.613 2.824 1.652 1.00 0.00 C ATOM 516 NE ARG A 30 -4.181 3.564 0.467 1.00 0.00 N ATOM 517 CZ ARG A 30 -3.943 4.875 0.447 1.00 0.00 C ATOM 518 NH1 ARG A 30 -4.094 5.609 1.544 1.00 0.00 N ATOM 519 NH2 ARG A 30 -3.551 5.455 -0.679 1.00 0.00 N ATOM 0 H ARG A 30 -1.754 0.529 2.773 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.002 0.640 5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.714 1.986 4.019 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -3.138 2.708 4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.529 2.518 2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.435 1.038 1.817 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -5.424 2.148 1.381 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.011 3.521 2.389 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.054 3.043 -0.401 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.395 5.170 2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.909 6.612 1.516 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.433 4.898 -1.525 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.368 6.458 -0.699 1.00 0.00 H new ATOM 533 N TRP A 31 -5.155 -0.595 5.004 1.00 0.00 N ATOM 534 CA TRP A 31 -6.246 -1.570 4.955 1.00 0.00 C ATOM 535 C TRP A 31 -7.363 -1.112 5.866 1.00 0.00 C ATOM 536 O TRP A 31 -7.379 0.033 6.318 1.00 0.00 O ATOM 537 CB TRP A 31 -5.818 -3.013 5.300 1.00 0.00 C ATOM 538 CG TRP A 31 -4.372 -3.155 5.609 1.00 0.00 C ATOM 539 CD1 TRP A 31 -3.635 -2.294 6.331 1.00 0.00 C ATOM 540 CD2 TRP A 31 -3.493 -4.198 5.189 1.00 0.00 C ATOM 541 NE1 TRP A 31 -2.336 -2.726 6.405 1.00 0.00 N ATOM 542 CE2 TRP A 31 -2.226 -3.902 5.708 1.00 0.00 C ATOM 543 CE3 TRP A 31 -3.658 -5.357 4.428 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -1.124 -4.719 5.488 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -2.564 -6.168 4.210 1.00 0.00 C ATOM 546 CH2 TRP A 31 -1.311 -5.846 4.740 1.00 0.00 C ATOM 0 H TRP A 31 -5.226 0.056 5.786 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.588 -1.611 3.921 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.398 -3.359 6.156 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.066 -3.665 4.463 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -4.012 -1.391 6.788 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.578 -2.252 6.896 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.624 -5.613 4.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.154 -4.472 5.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.677 -7.066 3.621 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -0.474 -6.502 4.554 1.00 0.00 H new ATOM 557 N LEU A 32 -8.324 -1.978 6.089 1.00 0.00 N ATOM 558 CA LEU A 32 -9.468 -1.627 6.904 1.00 0.00 C ATOM 559 C LEU A 32 -10.342 -2.836 7.110 1.00 0.00 C ATOM 560 O LEU A 32 -10.530 -3.311 8.231 1.00 0.00 O ATOM 561 CB LEU A 32 -10.268 -0.533 6.193 1.00 0.00 C ATOM 562 CG LEU A 32 -11.590 -0.121 6.848 1.00 0.00 C ATOM 563 CD1 LEU A 32 -12.636 -1.227 6.774 1.00 0.00 C ATOM 564 CD2 LEU A 32 -11.364 0.312 8.289 1.00 0.00 C ATOM 0 H LEU A 32 -8.339 -2.929 5.720 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.127 -1.267 7.875 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.637 0.352 6.110 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.480 -0.870 5.178 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.979 0.728 6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.556 -0.890 7.251 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.836 -1.470 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.265 -2.114 7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.315 0.601 8.736 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.934 -0.515 8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.681 1.161 8.311 1.00 0.00 H new ATOM 576 N ASN A 33 -10.878 -3.330 6.005 1.00 0.00 N ATOM 577 CA ASN A 33 -11.759 -4.497 6.029 1.00 0.00 C ATOM 578 C ASN A 33 -11.115 -5.661 6.773 1.00 0.00 C ATOM 579 O ASN A 33 -11.776 -6.373 7.527 1.00 0.00 O ATOM 580 CB ASN A 33 -12.109 -4.948 4.601 1.00 0.00 C ATOM 581 CG ASN A 33 -12.251 -3.807 3.618 1.00 0.00 C ATOM 582 OD1 ASN A 33 -11.515 -2.820 3.663 1.00 0.00 O ATOM 583 ND2 ASN A 33 -13.211 -3.946 2.720 1.00 0.00 N ATOM 0 H ASN A 33 -10.720 -2.942 5.075 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.669 -4.201 6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.335 -5.628 4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -13.042 -5.512 4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.368 -3.217 2.024 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.795 -4.782 2.723 1.00 0.00 H new ATOM 590 N TYR A 34 -9.820 -5.856 6.540 1.00 0.00 N ATOM 591 CA TYR A 34 -9.071 -6.943 7.169 1.00 0.00 C ATOM 592 C TYR A 34 -9.401 -7.070 8.646 1.00 0.00 C ATOM 593 O TYR A 34 -9.484 -8.176 9.183 1.00 0.00 O ATOM 594 CB TYR A 34 -7.569 -6.710 7.019 1.00 0.00 C ATOM 595 CG TYR A 34 -7.028 -7.054 5.646 1.00 0.00 C ATOM 596 CD1 TYR A 34 -7.800 -6.888 4.500 1.00 0.00 C ATOM 597 CD2 TYR A 34 -5.749 -7.570 5.502 1.00 0.00 C ATOM 598 CE1 TYR A 34 -7.309 -7.229 3.252 1.00 0.00 C ATOM 599 CE2 TYR A 34 -5.249 -7.909 4.261 1.00 0.00 C ATOM 600 CZ TYR A 34 -6.032 -7.739 3.138 1.00 0.00 C ATOM 601 OH TYR A 34 -5.538 -8.080 1.900 1.00 0.00 O ATOM 0 H TYR A 34 -9.263 -5.272 5.916 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.359 -7.865 6.665 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.350 -5.664 7.233 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.043 -7.305 7.766 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.799 -6.486 4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.132 -7.709 6.378 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.922 -7.097 2.372 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.249 -8.306 4.169 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.625 -8.422 1.995 1.00 0.00 H new ATOM 611 N SER A 35 -9.566 -5.931 9.304 1.00 0.00 N ATOM 612 CA SER A 35 -9.863 -5.915 10.727 1.00 0.00 C ATOM 613 C SER A 35 -9.881 -4.485 11.254 1.00 0.00 C ATOM 614 O SER A 35 -8.916 -3.743 11.075 1.00 0.00 O ATOM 615 CB SER A 35 -8.815 -6.742 11.471 1.00 0.00 C ATOM 616 OG SER A 35 -8.628 -6.275 12.796 1.00 0.00 O ATOM 0 H SER A 35 -9.499 -5.008 8.875 1.00 0.00 H new ATOM 0 HA SER A 35 -10.849 -6.349 10.891 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.124 -7.787 11.493 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.868 -6.700 10.933 1.00 0.00 H new ATOM 0 HG SER A 35 -7.953 -6.826 13.245 1.00 0.00 H new ATOM 622 N SER A 36 -10.989 -4.108 11.896 1.00 0.00 N ATOM 623 CA SER A 36 -11.155 -2.763 12.455 1.00 0.00 C ATOM 624 C SER A 36 -9.838 -2.201 12.986 1.00 0.00 C ATOM 625 O SER A 36 -9.487 -2.398 14.150 1.00 0.00 O ATOM 626 CB SER A 36 -12.201 -2.782 13.572 1.00 0.00 C ATOM 627 OG SER A 36 -13.436 -3.299 13.106 1.00 0.00 O ATOM 0 H SER A 36 -11.791 -4.721 12.043 1.00 0.00 H new ATOM 0 HA SER A 36 -11.493 -2.112 11.649 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.840 -3.388 14.403 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.347 -1.772 13.955 1.00 0.00 H new ATOM 0 HG SER A 36 -14.087 -3.302 13.839 1.00 0.00 H new ATOM 633 N ARG A 37 -9.116 -1.501 12.115 1.00 0.00 N ATOM 634 CA ARG A 37 -7.834 -0.904 12.471 1.00 0.00 C ATOM 635 C ARG A 37 -7.609 0.372 11.659 1.00 0.00 C ATOM 636 O ARG A 37 -8.567 0.974 11.175 1.00 0.00 O ATOM 637 CB ARG A 37 -6.703 -1.913 12.240 1.00 0.00 C ATOM 638 CG ARG A 37 -6.761 -3.110 13.176 1.00 0.00 C ATOM 639 CD ARG A 37 -5.787 -4.201 12.759 1.00 0.00 C ATOM 640 NE ARG A 37 -5.503 -5.129 13.853 1.00 0.00 N ATOM 641 CZ ARG A 37 -4.698 -6.184 13.742 1.00 0.00 C ATOM 642 NH1 ARG A 37 -4.095 -6.447 12.590 1.00 0.00 N ATOM 643 NH2 ARG A 37 -4.495 -6.978 14.785 1.00 0.00 N ATOM 0 H ARG A 37 -9.401 -1.333 11.150 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.841 -0.638 13.528 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.745 -2.265 11.209 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.745 -1.409 12.366 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.533 -2.788 14.192 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.774 -3.513 13.189 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.200 -4.752 11.914 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.857 -3.746 12.419 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.948 -4.958 14.755 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.247 -5.840 11.785 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.479 -7.256 12.510 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.956 -6.781 15.673 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.878 -7.786 14.699 1.00 0.00 H new ATOM 657 N SER A 38 -6.353 0.795 11.513 1.00 0.00 N ATOM 658 CA SER A 38 -6.057 2.010 10.759 1.00 0.00 C ATOM 659 C SER A 38 -4.646 1.992 10.175 1.00 0.00 C ATOM 660 O SER A 38 -3.729 2.582 10.743 1.00 0.00 O ATOM 661 CB SER A 38 -6.227 3.236 11.655 1.00 0.00 C ATOM 662 OG SER A 38 -5.787 2.969 12.976 1.00 0.00 O ATOM 0 H SER A 38 -5.537 0.322 11.901 1.00 0.00 H new ATOM 0 HA SER A 38 -6.761 2.058 9.928 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.663 4.072 11.243 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.275 3.536 11.671 1.00 0.00 H new ATOM 0 HG SER A 38 -5.905 3.770 13.528 1.00 0.00 H new ATOM 668 N ASP A 39 -4.497 1.331 9.024 1.00 0.00 N ATOM 669 CA ASP A 39 -3.215 1.241 8.315 1.00 0.00 C ATOM 670 C ASP A 39 -2.049 0.891 9.238 1.00 0.00 C ATOM 671 O ASP A 39 -1.920 1.427 10.337 1.00 0.00 O ATOM 672 CB ASP A 39 -2.916 2.557 7.588 1.00 0.00 C ATOM 673 CG ASP A 39 -2.788 3.735 8.538 1.00 0.00 C ATOM 674 OD1 ASP A 39 -1.805 3.772 9.307 1.00 0.00 O ATOM 675 OD2 ASP A 39 -3.671 4.618 8.512 1.00 0.00 O ATOM 0 H ASP A 39 -5.261 0.843 8.556 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.315 0.429 7.595 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.992 2.452 7.020 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.711 2.759 6.870 1.00 0.00 H new ATOM 680 N THR A 40 -1.179 0.003 8.766 1.00 0.00 N ATOM 681 CA THR A 40 -0.008 -0.397 9.535 1.00 0.00 C ATOM 682 C THR A 40 1.223 -0.473 8.639 1.00 0.00 C ATOM 683 O THR A 40 1.125 -0.392 7.411 1.00 0.00 O ATOM 684 CB THR A 40 -0.235 -1.742 10.233 1.00 0.00 C ATOM 685 OG1 THR A 40 0.987 -2.440 10.402 1.00 0.00 O ATOM 686 CG2 THR A 40 -1.179 -2.655 9.490 1.00 0.00 C ATOM 0 H THR A 40 -1.263 -0.452 7.857 1.00 0.00 H new ATOM 0 HA THR A 40 0.159 0.361 10.301 1.00 0.00 H new ATOM 0 HB THR A 40 -0.681 -1.487 11.194 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.816 -3.294 10.851 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.293 -3.588 10.042 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.151 -2.171 9.391 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.777 -2.866 8.499 1.00 0.00 H new ATOM 694 N TRP A 41 2.385 -0.613 9.265 1.00 0.00 N ATOM 695 CA TRP A 41 3.642 -0.683 8.544 1.00 0.00 C ATOM 696 C TRP A 41 4.223 -2.095 8.579 1.00 0.00 C ATOM 697 O TRP A 41 4.210 -2.776 9.606 1.00 0.00 O ATOM 698 CB TRP A 41 4.641 0.328 9.125 1.00 0.00 C ATOM 699 CG TRP A 41 4.119 1.735 9.121 1.00 0.00 C ATOM 700 CD1 TRP A 41 3.115 2.238 9.898 1.00 0.00 C ATOM 701 CD2 TRP A 41 4.565 2.818 8.293 1.00 0.00 C ATOM 702 NE1 TRP A 41 2.902 3.562 9.596 1.00 0.00 N ATOM 703 CE2 TRP A 41 3.783 3.943 8.618 1.00 0.00 C ATOM 704 CE3 TRP A 41 5.546 2.943 7.305 1.00 0.00 C ATOM 705 CZ2 TRP A 41 3.954 5.177 7.992 1.00 0.00 C ATOM 706 CZ3 TRP A 41 5.714 4.167 6.683 1.00 0.00 C ATOM 707 CH2 TRP A 41 4.923 5.270 7.030 1.00 0.00 C ATOM 0 H TRP A 41 2.479 -0.680 10.278 1.00 0.00 H new ATOM 0 HA TRP A 41 3.451 -0.430 7.501 1.00 0.00 H new ATOM 0 HB2 TRP A 41 4.888 0.041 10.147 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.566 0.288 8.550 1.00 0.00 H new ATOM 0 HD1 TRP A 41 2.568 1.677 10.641 1.00 0.00 H new ATOM 0 HE1 TRP A 41 2.202 4.163 10.030 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.162 2.099 7.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 3.344 6.028 8.257 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.468 4.274 5.917 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.081 6.213 6.528 1.00 0.00 H new ATOM 718 N GLU A 42 4.757 -2.494 7.441 1.00 0.00 N ATOM 719 CA GLU A 42 5.381 -3.785 7.260 1.00 0.00 C ATOM 720 C GLU A 42 6.692 -3.598 6.510 1.00 0.00 C ATOM 721 O GLU A 42 6.829 -2.645 5.767 1.00 0.00 O ATOM 722 CB GLU A 42 4.467 -4.716 6.465 1.00 0.00 C ATOM 723 CG GLU A 42 3.020 -4.245 6.337 1.00 0.00 C ATOM 724 CD GLU A 42 2.033 -5.384 6.487 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.024 -6.281 5.620 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.271 -5.380 7.476 1.00 0.00 O ATOM 0 H GLU A 42 4.768 -1.916 6.601 1.00 0.00 H new ATOM 0 HA GLU A 42 5.566 -4.232 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.882 -4.841 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.473 -5.698 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.817 -3.489 7.095 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.879 -3.769 5.366 1.00 0.00 H new ATOM 733 N PRO A 43 7.667 -4.499 6.668 1.00 0.00 N ATOM 734 CA PRO A 43 8.940 -4.387 5.972 1.00 0.00 C ATOM 735 C PRO A 43 8.897 -4.959 4.556 1.00 0.00 C ATOM 736 O PRO A 43 7.950 -5.647 4.181 1.00 0.00 O ATOM 737 CB PRO A 43 9.907 -5.184 6.845 1.00 0.00 C ATOM 738 CG PRO A 43 9.063 -6.045 7.744 1.00 0.00 C ATOM 739 CD PRO A 43 7.611 -5.692 7.511 1.00 0.00 C ATOM 0 HA PRO A 43 9.229 -3.344 5.840 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.569 -5.796 6.232 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.541 -4.517 7.430 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.236 -7.100 7.532 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.331 -5.882 8.788 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.077 -6.504 7.018 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.093 -5.494 8.449 1.00 0.00 H new ATOM 747 N PRO A 44 9.960 -4.709 3.766 1.00 0.00 N ATOM 748 CA PRO A 44 10.064 -5.210 2.391 1.00 0.00 C ATOM 749 C PRO A 44 10.221 -6.708 2.335 1.00 0.00 C ATOM 750 O PRO A 44 9.551 -7.403 1.572 1.00 0.00 O ATOM 751 CB PRO A 44 11.331 -4.574 1.845 1.00 0.00 C ATOM 752 CG PRO A 44 12.077 -4.060 3.003 1.00 0.00 C ATOM 753 CD PRO A 44 11.145 -3.953 4.178 1.00 0.00 C ATOM 0 HA PRO A 44 9.162 -4.967 1.829 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.925 -5.304 1.295 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.092 -3.769 1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.908 -4.725 3.241 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.505 -3.085 2.772 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.591 -4.372 5.080 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.898 -2.914 4.398 1.00 0.00 H new ATOM 761 N GLU A 45 11.144 -7.179 3.140 1.00 0.00 N ATOM 762 CA GLU A 45 11.450 -8.604 3.221 1.00 0.00 C ATOM 763 C GLU A 45 10.184 -9.419 3.495 1.00 0.00 C ATOM 764 O GLU A 45 10.115 -10.604 3.167 1.00 0.00 O ATOM 765 CB GLU A 45 12.500 -8.868 4.302 1.00 0.00 C ATOM 766 CG GLU A 45 13.924 -8.623 3.826 1.00 0.00 C ATOM 767 CD GLU A 45 14.933 -9.541 4.489 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.553 -10.253 5.441 1.00 0.00 O ATOM 769 OE2 GLU A 45 16.105 -9.545 4.056 1.00 0.00 O ATOM 0 H GLU A 45 11.707 -6.595 3.759 1.00 0.00 H new ATOM 0 HA GLU A 45 11.856 -8.918 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.296 -8.229 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.410 -9.899 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.970 -8.761 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.196 -7.587 4.027 1.00 0.00 H new ATOM 776 N ASN A 46 9.173 -8.764 4.063 1.00 0.00 N ATOM 777 CA ASN A 46 7.900 -9.402 4.343 1.00 0.00 C ATOM 778 C ASN A 46 7.122 -9.539 3.044 1.00 0.00 C ATOM 779 O ASN A 46 6.343 -10.473 2.859 1.00 0.00 O ATOM 780 CB ASN A 46 7.096 -8.565 5.338 1.00 0.00 C ATOM 781 CG ASN A 46 7.323 -8.968 6.780 1.00 0.00 C ATOM 782 OD1 ASN A 46 8.241 -9.727 7.093 1.00 0.00 O ATOM 783 ND2 ASN A 46 6.477 -8.458 7.668 1.00 0.00 N ATOM 0 H ASN A 46 9.218 -7.783 4.338 1.00 0.00 H new ATOM 0 HA ASN A 46 8.076 -10.386 4.778 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.360 -7.515 5.216 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.035 -8.656 5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.573 -8.691 8.656 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.731 -7.833 7.362 1.00 0.00 H new ATOM 790 N LEU A 47 7.356 -8.587 2.142 1.00 0.00 N ATOM 791 CA LEU A 47 6.701 -8.586 0.842 1.00 0.00 C ATOM 792 C LEU A 47 7.455 -9.475 -0.130 1.00 0.00 C ATOM 793 O LEU A 47 7.446 -9.237 -1.338 1.00 0.00 O ATOM 794 CB LEU A 47 6.635 -7.199 0.226 1.00 0.00 C ATOM 795 CG LEU A 47 6.927 -6.015 1.138 1.00 0.00 C ATOM 796 CD1 LEU A 47 7.483 -4.886 0.308 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.684 -5.554 1.875 1.00 0.00 C ATOM 0 H LEU A 47 7.996 -7.807 2.291 1.00 0.00 H new ATOM 0 HA LEU A 47 5.689 -8.952 1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 47 7.339 -7.166 -0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.638 -7.064 -0.194 1.00 0.00 H new ATOM 0 HG LEU A 47 7.654 -6.326 1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.696 -4.032 0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.402 -5.211 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.754 -4.597 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.933 -4.708 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.925 -5.252 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.300 -6.371 2.486 1.00 0.00 H new ATOM 809 N SER A 48 8.081 -10.514 0.382 1.00 0.00 N ATOM 810 CA SER A 48 8.810 -11.454 -0.464 1.00 0.00 C ATOM 811 C SER A 48 7.837 -12.452 -1.087 1.00 0.00 C ATOM 812 O SER A 48 8.193 -13.593 -1.378 1.00 0.00 O ATOM 813 CB SER A 48 9.870 -12.194 0.355 1.00 0.00 C ATOM 814 OG SER A 48 9.271 -13.059 1.304 1.00 0.00 O ATOM 0 H SER A 48 8.104 -10.734 1.378 1.00 0.00 H new ATOM 0 HA SER A 48 9.309 -10.899 -1.259 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.512 -12.770 -0.312 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.507 -11.473 0.867 1.00 0.00 H new ATOM 0 HG SER A 48 9.970 -13.521 1.813 1.00 0.00 H new ATOM 820 N GLY A 49 6.602 -11.999 -1.283 1.00 0.00 N ATOM 821 CA GLY A 49 5.571 -12.830 -1.866 1.00 0.00 C ATOM 822 C GLY A 49 4.327 -12.035 -2.234 1.00 0.00 C ATOM 823 O GLY A 49 3.442 -12.547 -2.919 1.00 0.00 O ATOM 0 H GLY A 49 6.297 -11.056 -1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.963 -13.320 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 49 5.301 -13.617 -1.162 1.00 0.00 H new ATOM 827 N CYS A 50 4.257 -10.778 -1.781 1.00 0.00 N ATOM 828 CA CYS A 50 3.123 -9.916 -2.072 1.00 0.00 C ATOM 829 C CYS A 50 2.740 -10.004 -3.538 1.00 0.00 C ATOM 830 O CYS A 50 1.669 -10.505 -3.885 1.00 0.00 O ATOM 831 CB CYS A 50 3.469 -8.471 -1.710 1.00 0.00 C ATOM 832 SG CYS A 50 2.876 -7.953 -0.082 1.00 0.00 S ATOM 0 H CYS A 50 4.980 -10.340 -1.209 1.00 0.00 H new ATOM 0 HA CYS A 50 2.273 -10.247 -1.476 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.551 -8.348 -1.746 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.048 -7.808 -2.466 1.00 0.00 H new ATOM 0 HG CYS A 50 3.220 -6.718 0.132 1.00 0.00 H new ATOM 838 N SER A 51 3.615 -9.502 -4.396 1.00 0.00 N ATOM 839 CA SER A 51 3.415 -9.493 -5.840 1.00 0.00 C ATOM 840 C SER A 51 2.397 -8.443 -6.267 1.00 0.00 C ATOM 841 O SER A 51 2.746 -7.496 -6.974 1.00 0.00 O ATOM 842 CB SER A 51 2.996 -10.874 -6.351 1.00 0.00 C ATOM 843 OG SER A 51 3.198 -11.874 -5.367 1.00 0.00 O ATOM 0 H SER A 51 4.498 -9.083 -4.106 1.00 0.00 H new ATOM 0 HA SER A 51 4.374 -9.232 -6.288 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.945 -10.853 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.568 -11.121 -7.246 1.00 0.00 H new ATOM 0 HG SER A 51 2.438 -11.883 -4.749 1.00 0.00 H new ATOM 849 N ALA A 52 1.150 -8.580 -5.836 1.00 0.00 N ATOM 850 CA ALA A 52 0.135 -7.603 -6.198 1.00 0.00 C ATOM 851 C ALA A 52 0.458 -6.269 -5.556 1.00 0.00 C ATOM 852 O ALA A 52 0.499 -5.230 -6.214 1.00 0.00 O ATOM 853 CB ALA A 52 -1.245 -8.081 -5.774 1.00 0.00 C ATOM 0 H ALA A 52 0.822 -9.344 -5.246 1.00 0.00 H new ATOM 0 HA ALA A 52 0.131 -7.483 -7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.990 -7.336 -6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.471 -9.025 -6.270 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.264 -8.225 -4.694 1.00 0.00 H new ATOM 859 N VAL A 53 0.682 -6.317 -4.255 1.00 0.00 N ATOM 860 CA VAL A 53 1.004 -5.133 -3.473 1.00 0.00 C ATOM 861 C VAL A 53 2.150 -4.344 -4.126 1.00 0.00 C ATOM 862 O VAL A 53 2.024 -3.134 -4.462 1.00 0.00 O ATOM 863 CB VAL A 53 1.393 -5.574 -2.032 1.00 0.00 C ATOM 864 CG1 VAL A 53 1.459 -4.405 -1.073 1.00 0.00 C ATOM 865 CG2 VAL A 53 0.415 -6.620 -1.510 1.00 0.00 C ATOM 0 H VAL A 53 0.646 -7.178 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 53 0.134 -4.477 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 53 2.391 -6.009 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.734 -4.763 -0.081 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.205 -3.691 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.485 -3.918 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.703 -6.916 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.591 -6.201 -1.492 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.432 -7.492 -2.163 1.00 0.00 H new ATOM 875 N LEU A 54 3.243 -5.051 -4.376 1.00 0.00 N ATOM 876 CA LEU A 54 4.378 -4.452 -5.040 1.00 0.00 C ATOM 877 C LEU A 54 3.928 -3.954 -6.396 1.00 0.00 C ATOM 878 O LEU A 54 4.468 -2.998 -6.918 1.00 0.00 O ATOM 879 CB LEU A 54 5.515 -5.460 -5.210 1.00 0.00 C ATOM 880 CG LEU A 54 6.094 -6.043 -3.915 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.345 -6.853 -4.218 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.402 -4.942 -2.890 1.00 0.00 C ATOM 0 H LEU A 54 3.362 -6.033 -4.129 1.00 0.00 H new ATOM 0 HA LEU A 54 4.754 -3.628 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.155 -6.283 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.322 -4.978 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 54 5.343 -6.700 -3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.747 -7.262 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.095 -7.669 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.091 -6.210 -4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.811 -5.391 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.129 -4.247 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.485 -4.405 -2.646 1.00 0.00 H new ATOM 894 N ALA A 55 2.934 -4.632 -6.957 1.00 0.00 N ATOM 895 CA ALA A 55 2.393 -4.274 -8.257 1.00 0.00 C ATOM 896 C ALA A 55 1.759 -2.882 -8.254 1.00 0.00 C ATOM 897 O ALA A 55 2.050 -2.076 -9.144 1.00 0.00 O ATOM 898 CB ALA A 55 1.382 -5.312 -8.728 1.00 0.00 C ATOM 0 H ALA A 55 2.485 -5.439 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 55 3.230 -4.253 -8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.991 -5.022 -9.703 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.868 -6.284 -8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.563 -5.373 -8.012 1.00 0.00 H new ATOM 904 N GLU A 56 0.901 -2.559 -7.267 1.00 0.00 N ATOM 905 CA GLU A 56 0.305 -1.243 -7.259 1.00 0.00 C ATOM 906 C GLU A 56 1.417 -0.233 -7.127 1.00 0.00 C ATOM 907 O GLU A 56 1.432 0.789 -7.810 1.00 0.00 O ATOM 908 CB GLU A 56 -0.700 -1.089 -6.116 1.00 0.00 C ATOM 909 CG GLU A 56 -0.196 -0.218 -4.977 1.00 0.00 C ATOM 910 CD GLU A 56 -1.304 0.566 -4.293 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.487 0.328 -4.614 1.00 0.00 O ATOM 912 OE2 GLU A 56 -0.986 1.420 -3.441 1.00 0.00 O ATOM 0 H GLU A 56 0.624 -3.174 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.246 -1.086 -8.186 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.622 -0.661 -6.509 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.948 -2.076 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.305 -0.847 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.550 0.478 -5.362 1.00 0.00 H new ATOM 919 N TRP A 57 2.364 -0.533 -6.240 1.00 0.00 N ATOM 920 CA TRP A 57 3.471 0.375 -6.038 1.00 0.00 C ATOM 921 C TRP A 57 4.194 0.637 -7.361 1.00 0.00 C ATOM 922 O TRP A 57 4.235 1.777 -7.796 1.00 0.00 O ATOM 923 CB TRP A 57 4.393 -0.132 -4.926 1.00 0.00 C ATOM 924 CG TRP A 57 4.926 0.980 -4.075 1.00 0.00 C ATOM 925 CD1 TRP A 57 6.205 1.132 -3.633 1.00 0.00 C ATOM 926 CD2 TRP A 57 4.191 2.111 -3.576 1.00 0.00 C ATOM 927 NE1 TRP A 57 6.315 2.283 -2.905 1.00 0.00 N ATOM 928 CE2 TRP A 57 5.096 2.904 -2.856 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.859 2.530 -3.672 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.717 4.095 -2.240 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.486 3.708 -3.058 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.413 4.480 -2.353 1.00 0.00 C ATOM 0 H TRP A 57 2.382 -1.377 -5.667 1.00 0.00 H new ATOM 0 HA TRP A 57 3.093 1.339 -5.698 1.00 0.00 H new ATOM 0 HB2 TRP A 57 3.847 -0.837 -4.298 1.00 0.00 H new ATOM 0 HB3 TRP A 57 5.226 -0.678 -5.369 1.00 0.00 H new ATOM 0 HD1 TRP A 57 7.014 0.444 -3.829 1.00 0.00 H new ATOM 0 HE1 TRP A 57 7.170 2.625 -2.467 1.00 0.00 H new ATOM 0 HE3 TRP A 57 2.136 1.942 -4.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.431 4.693 -1.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.460 4.039 -3.123 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.091 5.400 -1.888 1.00 0.00 H new ATOM 943 N LYS A 58 4.745 -0.388 -8.027 1.00 0.00 N ATOM 944 CA LYS A 58 5.428 -0.165 -9.307 1.00 0.00 C ATOM 945 C LYS A 58 4.588 0.721 -10.221 1.00 0.00 C ATOM 946 O LYS A 58 5.118 1.592 -10.911 1.00 0.00 O ATOM 947 CB LYS A 58 5.786 -1.469 -10.034 1.00 0.00 C ATOM 948 CG LYS A 58 5.090 -2.696 -9.510 1.00 0.00 C ATOM 949 CD LYS A 58 4.877 -3.721 -10.617 1.00 0.00 C ATOM 950 CE LYS A 58 3.889 -3.220 -11.659 1.00 0.00 C ATOM 951 NZ LYS A 58 2.592 -3.947 -11.588 1.00 0.00 N ATOM 0 H LYS A 58 4.732 -1.357 -7.709 1.00 0.00 H new ATOM 0 HA LYS A 58 6.365 0.338 -9.067 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.546 -1.356 -11.091 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.863 -1.622 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.682 -3.139 -8.709 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.129 -2.416 -9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.830 -3.944 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.511 -4.653 -10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.716 -2.154 -11.513 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.318 -3.340 -12.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.113 -3.893 -12.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.765 -4.943 -11.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 1.990 -3.513 -10.859 1.00 0.00 H new ATOM 965 N ARG A 59 3.269 0.523 -10.195 1.00 0.00 N ATOM 966 CA ARG A 59 2.371 1.341 -11.008 1.00 0.00 C ATOM 967 C ARG A 59 2.514 2.810 -10.606 1.00 0.00 C ATOM 968 O ARG A 59 2.546 3.704 -11.451 1.00 0.00 O ATOM 969 CB ARG A 59 0.926 0.867 -10.843 1.00 0.00 C ATOM 970 CG ARG A 59 0.655 -0.481 -11.493 1.00 0.00 C ATOM 971 CD ARG A 59 -0.716 -0.523 -12.146 1.00 0.00 C ATOM 972 NE ARG A 59 -0.963 -1.797 -12.813 1.00 0.00 N ATOM 973 CZ ARG A 59 -0.525 -2.094 -14.032 1.00 0.00 C ATOM 974 NH1 ARG A 59 0.181 -1.210 -14.728 1.00 0.00 N ATOM 975 NH2 ARG A 59 -0.791 -3.279 -14.558 1.00 0.00 N ATOM 0 H ARG A 59 2.805 -0.187 -9.628 1.00 0.00 H new ATOM 0 HA ARG A 59 2.640 1.238 -12.059 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.691 0.804 -9.780 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.256 1.611 -11.274 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.421 -0.685 -12.241 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.725 -1.268 -10.742 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.483 -0.354 -11.390 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.798 0.288 -12.870 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.505 -2.502 -12.313 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.391 -0.296 -14.327 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.514 -1.446 -15.663 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.331 -3.963 -14.028 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.456 -3.509 -15.494 1.00 0.00 H new ATOM 989 N ARG A 60 2.643 3.028 -9.301 1.00 0.00 N ATOM 990 CA ARG A 60 2.829 4.361 -8.728 1.00 0.00 C ATOM 991 C ARG A 60 4.313 4.752 -8.816 1.00 0.00 C ATOM 992 O ARG A 60 4.676 5.899 -9.078 1.00 0.00 O ATOM 993 CB ARG A 60 2.356 4.327 -7.265 1.00 0.00 C ATOM 994 CG ARG A 60 0.841 4.406 -7.097 1.00 0.00 C ATOM 995 CD ARG A 60 0.213 5.436 -8.022 1.00 0.00 C ATOM 996 NE ARG A 60 -1.128 5.819 -7.582 1.00 0.00 N ATOM 997 CZ ARG A 60 -1.372 6.764 -6.675 1.00 0.00 C ATOM 998 NH1 ARG A 60 -0.373 7.431 -6.109 1.00 0.00 N ATOM 999 NH2 ARG A 60 -2.624 7.041 -6.334 1.00 0.00 N ATOM 0 H ARG A 60 2.622 2.282 -8.606 1.00 0.00 H new ATOM 0 HA ARG A 60 2.249 5.103 -9.277 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.715 3.409 -6.800 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.814 5.157 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.404 3.428 -7.296 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.605 4.657 -6.063 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.848 6.321 -8.064 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.162 5.032 -9.033 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.925 5.333 -7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.591 7.222 -6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.570 8.153 -5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.395 6.531 -6.766 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.816 7.764 -5.640 1.00 0.00 H new ATOM 1013 N LYS A 61 5.134 3.735 -8.614 1.00 0.00 N ATOM 1014 CA LYS A 61 6.591 3.780 -8.662 1.00 0.00 C ATOM 1015 C LYS A 61 7.116 3.985 -10.081 1.00 0.00 C ATOM 1016 O LYS A 61 8.291 4.286 -10.274 1.00 0.00 O ATOM 1017 CB LYS A 61 7.174 2.508 -8.066 1.00 0.00 C ATOM 1018 CG LYS A 61 7.519 2.639 -6.595 1.00 0.00 C ATOM 1019 CD LYS A 61 9.017 2.520 -6.345 1.00 0.00 C ATOM 1020 CE LYS A 61 9.581 3.792 -5.730 1.00 0.00 C ATOM 1021 NZ LYS A 61 9.741 3.671 -4.253 1.00 0.00 N ATOM 0 H LYS A 61 4.784 2.801 -8.400 1.00 0.00 H new ATOM 0 HA LYS A 61 6.909 4.639 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.460 1.695 -8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.072 2.234 -8.620 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.165 3.601 -6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.995 1.868 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.211 1.677 -5.682 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.529 2.311 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.547 4.017 -6.183 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.920 4.629 -5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.128 4.558 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.816 3.482 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.392 2.889 -4.037 1.00 0.00 H new ATOM 1035 N ARG A 62 6.231 3.856 -11.068 1.00 0.00 N ATOM 1036 CA ARG A 62 6.611 4.074 -12.467 1.00 0.00 C ATOM 1037 C ARG A 62 7.169 5.492 -12.641 1.00 0.00 C ATOM 1038 O ARG A 62 7.845 5.802 -13.622 1.00 0.00 O ATOM 1039 CB ARG A 62 5.406 3.869 -13.387 1.00 0.00 C ATOM 1040 CG ARG A 62 5.377 2.504 -14.053 1.00 0.00 C ATOM 1041 CD ARG A 62 4.443 2.491 -15.253 1.00 0.00 C ATOM 1042 NE ARG A 62 3.108 2.980 -14.911 1.00 0.00 N ATOM 1043 CZ ARG A 62 2.409 3.835 -15.657 1.00 0.00 C ATOM 1044 NH1 ARG A 62 2.899 4.292 -16.803 1.00 0.00 N ATOM 1045 NH2 ARG A 62 1.207 4.228 -15.256 1.00 0.00 N ATOM 0 H ARG A 62 5.253 3.604 -10.929 1.00 0.00 H new ATOM 0 HA ARG A 62 7.381 3.351 -12.737 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.491 4.002 -12.809 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.412 4.640 -14.157 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.383 2.231 -14.371 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.056 1.753 -13.332 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.863 3.109 -16.047 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.369 1.476 -15.644 1.00 0.00 H new ATOM 0 HE ARG A 62 2.684 2.645 -14.046 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.820 3.989 -17.121 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.355 4.946 -17.366 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.821 3.876 -14.380 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.669 4.882 -15.824 1.00 0.00 H new ATOM 1059 N ARG A 63 6.872 6.330 -11.652 1.00 0.00 N ATOM 1060 CA ARG A 63 7.319 7.721 -11.619 1.00 0.00 C ATOM 1061 C ARG A 63 8.848 7.833 -11.583 1.00 0.00 C ATOM 1062 O ARG A 63 9.383 8.919 -11.358 1.00 0.00 O ATOM 1063 CB ARG A 63 6.724 8.442 -10.410 1.00 0.00 C ATOM 1064 CG ARG A 63 6.709 9.955 -10.549 1.00 0.00 C ATOM 1065 CD ARG A 63 6.611 10.648 -9.196 1.00 0.00 C ATOM 1066 NE ARG A 63 5.793 9.896 -8.244 1.00 0.00 N ATOM 1067 CZ ARG A 63 4.476 9.745 -8.356 1.00 0.00 C ATOM 1068 NH1 ARG A 63 3.821 10.302 -9.367 1.00 0.00 N ATOM 1069 NH2 ARG A 63 3.811 9.038 -7.453 1.00 0.00 N ATOM 0 H ARG A 63 6.310 6.062 -10.844 1.00 0.00 H new ATOM 0 HA ARG A 63 6.969 8.193 -12.537 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.704 8.090 -10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.294 8.173 -9.521 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.615 10.282 -11.060 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.866 10.254 -11.172 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.612 10.781 -8.785 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.186 11.643 -9.330 1.00 0.00 H new ATOM 0 HE ARG A 63 6.260 9.462 -7.448 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.327 10.849 -10.063 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.811 10.183 -9.448 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.309 8.610 -6.673 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.801 8.922 -7.539 1.00 0.00 H new ATOM 1083 N LEU A 64 9.555 6.721 -11.805 1.00 0.00 N ATOM 1084 CA LEU A 64 11.007 6.728 -11.798 1.00 0.00 C ATOM 1085 C LEU A 64 11.582 6.485 -13.197 1.00 0.00 C ATOM 1086 O LEU A 64 11.013 6.937 -14.191 1.00 0.00 O ATOM 1087 CB LEU A 64 11.528 5.708 -10.790 1.00 0.00 C ATOM 1088 CG LEU A 64 11.364 4.219 -11.128 1.00 0.00 C ATOM 1089 CD1 LEU A 64 10.872 3.505 -9.894 1.00 0.00 C ATOM 1090 CD2 LEU A 64 10.404 3.974 -12.289 1.00 0.00 C ATOM 0 H LEU A 64 9.139 5.809 -11.991 1.00 0.00 H new ATOM 0 HA LEU A 64 11.344 7.718 -11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.590 5.901 -10.636 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.029 5.892 -9.839 1.00 0.00 H new ATOM 0 HG LEU A 64 12.334 3.835 -11.445 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.748 2.444 -10.112 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.597 3.628 -9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.915 3.926 -9.587 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.330 2.903 -12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.419 4.366 -12.036 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.776 4.477 -13.181 1.00 0.00 H new ATOM 1102 N LYS A 65 12.704 5.770 -13.270 1.00 0.00 N ATOM 1103 CA LYS A 65 13.346 5.467 -14.547 1.00 0.00 C ATOM 1104 C LYS A 65 13.955 6.722 -15.164 1.00 0.00 C ATOM 1105 O LYS A 65 13.987 6.873 -16.385 1.00 0.00 O ATOM 1106 CB LYS A 65 12.343 4.832 -15.518 1.00 0.00 C ATOM 1107 CG LYS A 65 12.651 3.381 -15.849 1.00 0.00 C ATOM 1108 CD LYS A 65 11.990 2.428 -14.866 1.00 0.00 C ATOM 1109 CE LYS A 65 10.540 2.160 -15.236 1.00 0.00 C ATOM 1110 NZ LYS A 65 9.959 1.042 -14.442 1.00 0.00 N ATOM 0 H LYS A 65 13.188 5.389 -12.457 1.00 0.00 H new ATOM 0 HA LYS A 65 14.149 4.754 -14.358 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.344 4.893 -15.087 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.328 5.411 -16.441 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.308 3.157 -16.859 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.730 3.226 -15.837 1.00 0.00 H new ATOM 0 HD2 LYS A 65 12.540 1.487 -14.844 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.038 2.849 -13.862 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.952 3.063 -15.074 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.475 1.923 -16.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.938 1.197 -14.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.116 0.143 -14.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.417 1.004 -13.509 1.00 0.00 H new ATOM 1124 N GLY A 66 14.437 7.618 -14.311 1.00 0.00 N ATOM 1125 CA GLY A 66 15.038 8.849 -14.790 1.00 0.00 C ATOM 1126 C GLY A 66 14.993 9.957 -13.756 1.00 0.00 C ATOM 1127 O GLY A 66 15.812 9.993 -12.838 1.00 0.00 O ATOM 0 H GLY A 66 14.423 7.514 -13.296 1.00 0.00 H new ATOM 0 HA2 GLY A 66 16.074 8.659 -15.070 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.520 9.176 -15.691 1.00 0.00 H new ATOM 1131 N SER A 67 14.034 10.864 -13.907 1.00 0.00 N ATOM 1132 CA SER A 67 13.883 11.983 -12.982 1.00 0.00 C ATOM 1133 C SER A 67 12.884 11.648 -11.878 1.00 0.00 C ATOM 1134 O SER A 67 11.673 11.737 -12.078 1.00 0.00 O ATOM 1135 CB SER A 67 13.423 13.231 -13.736 1.00 0.00 C ATOM 1136 OG SER A 67 13.061 14.264 -12.837 1.00 0.00 O ATOM 0 H SER A 67 13.348 10.847 -14.662 1.00 0.00 H new ATOM 0 HA SER A 67 14.853 12.176 -12.523 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.221 13.578 -14.392 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.573 12.983 -14.372 1.00 0.00 H new ATOM 0 HG SER A 67 12.772 15.052 -13.343 1.00 0.00 H new ATOM 1142 N ASN A 68 13.398 11.269 -10.711 1.00 0.00 N ATOM 1143 CA ASN A 68 12.547 10.926 -9.578 1.00 0.00 C ATOM 1144 C ASN A 68 13.273 11.168 -8.258 1.00 0.00 C ATOM 1145 O ASN A 68 12.738 11.813 -7.355 1.00 0.00 O ATOM 1146 CB ASN A 68 12.100 9.465 -9.671 1.00 0.00 C ATOM 1147 CG ASN A 68 13.268 8.506 -9.789 1.00 0.00 C ATOM 1148 OD1 ASN A 68 14.119 8.650 -10.666 1.00 0.00 O ATOM 1149 ND2 ASN A 68 13.312 7.516 -8.905 1.00 0.00 N ATOM 0 H ASN A 68 14.398 11.192 -10.526 1.00 0.00 H new ATOM 0 HA ASN A 68 11.667 11.569 -9.609 1.00 0.00 H new ATOM 0 HB2 ASN A 68 11.514 9.211 -8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 68 11.446 9.343 -10.534 1.00 0.00 H new ATOM 0 HD21 ASN A 68 14.073 6.837 -8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.585 7.434 -8.194 1.00 0.00 H new ATOM 1156 N SER A 69 14.493 10.650 -8.151 1.00 0.00 N ATOM 1157 CA SER A 69 15.292 10.811 -6.941 1.00 0.00 C ATOM 1158 C SER A 69 14.526 10.331 -5.711 1.00 0.00 C ATOM 1159 O SER A 69 13.458 9.708 -5.887 1.00 0.00 O ATOM 1160 CB SER A 69 15.699 12.276 -6.761 1.00 0.00 C ATOM 1161 OG SER A 69 14.609 13.057 -6.301 1.00 0.00 O ATOM 1162 OXT SER A 69 15.002 10.580 -4.584 1.00 0.00 O ATOM 0 H SER A 69 14.950 10.114 -8.889 1.00 0.00 H new ATOM 0 HA SER A 69 16.189 10.202 -7.049 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.523 12.343 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.062 12.675 -7.708 1.00 0.00 H new ATOM 0 HG SER A 69 13.773 12.563 -6.434 1.00 0.00 H new TER 1168 SER A 69