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= -0.0134 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot -33:sc= 0.234 USER MOD Single : A -2 ILE N :NH3+ 165:sc= -0.482 (180deg=-0.91) USER MOD Single : A 17 LYS NZ :NH3+ -147:sc= -0.0103 (180deg=-0.447) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.223 USER MOD Single : A 33 ASN : amide:sc= -0.441 K(o=-0.44,f=-5.1!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.526 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -65:sc= 1.12 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 46 ASN : amide:sc= -4.45! C(o=-4.5!,f=-7!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.161 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0.058 USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.278) USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= -0.478 (180deg=-1.52!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.183 K(o=-0.18,f=-0.72) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A -2 -15.435 -3.929 9.734 1.00 0.00 N ATOM 2 CA ILE A -2 -16.884 -3.595 9.803 1.00 0.00 C ATOM 3 C ILE A -2 -17.751 -4.815 9.501 1.00 0.00 C ATOM 4 O ILE A -2 -18.885 -4.680 9.042 1.00 0.00 O ATOM 5 CB ILE A -2 -17.257 -2.459 8.824 1.00 0.00 C ATOM 6 CG1 ILE A -2 -16.403 -2.524 7.553 1.00 0.00 C ATOM 7 CG2 ILE A -2 -17.098 -1.106 9.502 1.00 0.00 C ATOM 8 CD1 ILE A -2 -16.805 -3.636 6.610 1.00 0.00 C ATOM 0 H1 ILE A -2 -14.878 -3.052 9.690 1.00 0.00 H new ATOM 0 H2 ILE A -2 -15.163 -4.469 10.580 1.00 0.00 H new ATOM 0 H3 ILE A -2 -15.250 -4.500 8.884 1.00 0.00 H new ATOM 0 HA ILE A -2 -17.075 -3.260 10.823 1.00 0.00 H new ATOM 0 HB ILE A -2 -18.300 -2.588 8.535 1.00 0.00 H new ATOM 0 HG12 ILE A -2 -16.474 -1.571 7.029 1.00 0.00 H new ATOM 0 HG13 ILE A -2 -15.358 -2.657 7.834 1.00 0.00 H new ATOM 0 HG21 ILE A -2 -17.364 -0.314 8.801 1.00 0.00 H new ATOM 0 HG22 ILE A -2 -17.753 -1.056 10.372 1.00 0.00 H new ATOM 0 HG23 ILE A -2 -16.063 -0.977 9.819 1.00 0.00 H new ATOM 0 HD11 ILE A -2 -16.158 -3.621 5.733 1.00 0.00 H new ATOM 0 HD12 ILE A -2 -16.707 -4.596 7.117 1.00 0.00 H new ATOM 0 HD13 ILE A -2 -17.840 -3.493 6.299 1.00 0.00 H new ATOM 22 N SER A -1 -17.207 -6.005 9.766 1.00 0.00 N ATOM 23 CA SER A -1 -17.918 -7.265 9.534 1.00 0.00 C ATOM 24 C SER A -1 -17.884 -7.683 8.062 1.00 0.00 C ATOM 25 O SER A -1 -18.264 -8.804 7.727 1.00 0.00 O ATOM 26 CB SER A -1 -19.369 -7.172 10.015 1.00 0.00 C ATOM 27 OG SER A -1 -19.989 -8.446 10.010 1.00 0.00 O ATOM 0 H SER A -1 -16.267 -6.123 10.145 1.00 0.00 H new ATOM 0 HA SER A -1 -17.399 -8.030 10.112 1.00 0.00 H new ATOM 0 HB2 SER A -1 -19.396 -6.755 11.022 1.00 0.00 H new ATOM 0 HB3 SER A -1 -19.926 -6.490 9.372 1.00 0.00 H new ATOM 0 HG SER A -1 -19.635 -8.979 9.268 1.00 0.00 H new ATOM 33 N SER A 2 -17.424 -6.789 7.190 1.00 0.00 N ATOM 34 CA SER A 2 -17.341 -7.084 5.764 1.00 0.00 C ATOM 35 C SER A 2 -18.709 -7.464 5.189 1.00 0.00 C ATOM 36 O SER A 2 -19.300 -8.467 5.588 1.00 0.00 O ATOM 37 CB SER A 2 -16.339 -8.214 5.514 1.00 0.00 C ATOM 38 OG SER A 2 -15.343 -8.242 6.521 1.00 0.00 O ATOM 0 H SER A 2 -17.104 -5.855 7.447 1.00 0.00 H new ATOM 0 HA SER A 2 -17.001 -6.181 5.258 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.862 -9.170 5.489 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.871 -8.081 4.539 1.00 0.00 H new ATOM 0 HG SER A 2 -14.716 -8.973 6.341 1.00 0.00 H new ATOM 44 N PRO A 3 -19.224 -6.677 4.226 1.00 0.00 N ATOM 45 CA PRO A 3 -20.511 -6.952 3.599 1.00 0.00 C ATOM 46 C PRO A 3 -20.410 -8.022 2.516 1.00 0.00 C ATOM 47 O PRO A 3 -19.395 -8.711 2.405 1.00 0.00 O ATOM 48 CB PRO A 3 -20.924 -5.611 2.987 1.00 0.00 C ATOM 49 CG PRO A 3 -19.688 -4.770 2.917 1.00 0.00 C ATOM 50 CD PRO A 3 -18.584 -5.475 3.668 1.00 0.00 C ATOM 0 HA PRO A 3 -21.232 -7.338 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -21.351 -5.754 1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -21.687 -5.127 3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -19.397 -4.610 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -19.874 -3.788 3.351 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -17.758 -5.736 3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -18.173 -4.843 4.455 1.00 0.00 H new ATOM 58 N LYS A 4 -21.462 -8.149 1.711 1.00 0.00 N ATOM 59 CA LYS A 4 -21.488 -9.132 0.627 1.00 0.00 C ATOM 60 C LYS A 4 -20.201 -9.076 -0.189 1.00 0.00 C ATOM 61 O LYS A 4 -19.416 -10.024 -0.197 1.00 0.00 O ATOM 62 CB LYS A 4 -22.694 -8.891 -0.284 1.00 0.00 C ATOM 63 CG LYS A 4 -24.006 -8.737 0.470 1.00 0.00 C ATOM 64 CD LYS A 4 -24.973 -9.865 0.146 1.00 0.00 C ATOM 65 CE LYS A 4 -25.748 -10.304 1.377 1.00 0.00 C ATOM 66 NZ LYS A 4 -25.942 -11.779 1.415 1.00 0.00 N ATOM 0 H LYS A 4 -22.308 -7.585 1.787 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.572 -10.123 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -22.518 -7.993 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -22.782 -9.722 -0.984 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -23.811 -8.721 1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -24.463 -7.781 0.215 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -25.669 -9.538 -0.626 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -24.422 -10.713 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -25.216 -9.985 2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -26.719 -9.810 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -26.475 -12.037 2.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -26.472 -12.081 0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -25.015 -12.251 1.429 1.00 0.00 H new ATOM 80 N GLN A 5 -19.989 -7.955 -0.866 1.00 0.00 N ATOM 81 CA GLN A 5 -18.793 -7.763 -1.677 1.00 0.00 C ATOM 82 C GLN A 5 -17.761 -6.952 -0.898 1.00 0.00 C ATOM 83 O GLN A 5 -17.872 -6.809 0.319 1.00 0.00 O ATOM 84 CB GLN A 5 -19.132 -7.072 -3.011 1.00 0.00 C ATOM 85 CG GLN A 5 -20.512 -6.432 -3.059 1.00 0.00 C ATOM 86 CD GLN A 5 -20.717 -5.586 -4.301 1.00 0.00 C ATOM 87 OE1 GLN A 5 -21.220 -4.465 -4.226 1.00 0.00 O ATOM 88 NE2 GLN A 5 -20.326 -6.120 -5.453 1.00 0.00 N ATOM 0 H GLN A 5 -20.631 -7.163 -0.870 1.00 0.00 H new ATOM 0 HA GLN A 5 -18.373 -8.742 -1.908 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.383 -6.305 -3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -19.057 -7.805 -3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -21.272 -7.212 -3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.652 -5.812 -2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.914 -7.053 -5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -20.438 -5.597 -6.322 1.00 0.00 H new ATOM 97 N GLU A 6 -16.765 -6.418 -1.594 1.00 0.00 N ATOM 98 CA GLU A 6 -15.737 -5.624 -0.952 1.00 0.00 C ATOM 99 C GLU A 6 -14.930 -4.840 -1.977 1.00 0.00 C ATOM 100 O GLU A 6 -13.915 -5.320 -2.482 1.00 0.00 O ATOM 101 CB GLU A 6 -14.812 -6.512 -0.118 1.00 0.00 C ATOM 102 CG GLU A 6 -14.157 -7.626 -0.919 1.00 0.00 C ATOM 103 CD GLU A 6 -13.659 -8.759 -0.042 1.00 0.00 C ATOM 104 OE1 GLU A 6 -14.256 -8.986 1.032 1.00 0.00 O ATOM 105 OE2 GLU A 6 -12.672 -9.420 -0.428 1.00 0.00 O ATOM 0 H GLU A 6 -16.651 -6.523 -2.602 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.230 -4.913 -0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -14.035 -5.893 0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.383 -6.951 0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.873 -8.018 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.322 -7.217 -1.487 1.00 0.00 H new ATOM 112 N GLU A 7 -15.391 -3.631 -2.284 1.00 0.00 N ATOM 113 CA GLU A 7 -14.727 -2.776 -3.239 1.00 0.00 C ATOM 114 C GLU A 7 -13.265 -2.566 -2.854 1.00 0.00 C ATOM 115 O GLU A 7 -12.769 -3.188 -1.916 1.00 0.00 O ATOM 116 CB GLU A 7 -15.504 -1.453 -3.339 1.00 0.00 C ATOM 117 CG GLU A 7 -14.889 -0.256 -2.615 1.00 0.00 C ATOM 118 CD GLU A 7 -14.697 0.937 -3.529 1.00 0.00 C ATOM 119 OE1 GLU A 7 -14.439 0.727 -4.734 1.00 0.00 O ATOM 120 OE2 GLU A 7 -14.807 2.083 -3.042 1.00 0.00 O ATOM 0 H GLU A 7 -16.233 -3.226 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.718 -3.246 -4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.613 -1.198 -4.393 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.507 -1.614 -2.945 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.530 0.029 -1.781 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.926 -0.546 -2.193 1.00 0.00 H new ATOM 127 N TYR A 8 -12.581 -1.686 -3.578 1.00 0.00 N ATOM 128 CA TYR A 8 -11.172 -1.399 -3.308 1.00 0.00 C ATOM 129 C TYR A 8 -10.920 -1.205 -1.813 1.00 0.00 C ATOM 130 O TYR A 8 -11.073 -0.104 -1.287 1.00 0.00 O ATOM 131 CB TYR A 8 -10.718 -0.150 -4.073 1.00 0.00 C ATOM 132 CG TYR A 8 -9.454 -0.367 -4.874 1.00 0.00 C ATOM 133 CD1 TYR A 8 -8.399 -1.107 -4.354 1.00 0.00 C ATOM 134 CD2 TYR A 8 -9.320 0.159 -6.152 1.00 0.00 C ATOM 135 CE1 TYR A 8 -7.246 -1.315 -5.086 1.00 0.00 C ATOM 136 CE2 TYR A 8 -8.171 -0.046 -6.890 1.00 0.00 C ATOM 137 CZ TYR A 8 -7.137 -0.783 -6.353 1.00 0.00 C ATOM 138 OH TYR A 8 -5.990 -0.989 -7.085 1.00 0.00 O ATOM 0 H TYR A 8 -12.977 -1.158 -4.356 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.593 -2.258 -3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.516 0.166 -4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -10.556 0.663 -3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -8.482 -1.526 -3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.127 0.738 -6.576 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -6.434 -1.891 -4.668 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.083 0.369 -7.883 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.075 -0.549 -7.956 1.00 0.00 H new ATOM 148 N GLU A 9 -10.525 -2.280 -1.136 1.00 0.00 N ATOM 149 CA GLU A 9 -10.252 -2.222 0.295 1.00 0.00 C ATOM 150 C GLU A 9 -8.822 -1.734 0.555 1.00 0.00 C ATOM 151 O GLU A 9 -8.520 -0.558 0.356 1.00 0.00 O ATOM 152 CB GLU A 9 -10.488 -3.594 0.936 1.00 0.00 C ATOM 153 CG GLU A 9 -11.945 -4.028 0.940 1.00 0.00 C ATOM 154 CD GLU A 9 -12.232 -5.093 1.980 1.00 0.00 C ATOM 155 OE1 GLU A 9 -11.697 -6.214 1.845 1.00 0.00 O ATOM 156 OE2 GLU A 9 -12.991 -4.808 2.931 1.00 0.00 O ATOM 0 H GLU A 9 -10.387 -3.200 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.937 -1.508 0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.898 -4.340 0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.122 -3.573 1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.578 -3.161 1.129 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.210 -4.408 -0.047 1.00 0.00 H new ATOM 163 N VAL A 10 -7.942 -2.636 0.991 1.00 0.00 N ATOM 164 CA VAL A 10 -6.558 -2.283 1.276 1.00 0.00 C ATOM 165 C VAL A 10 -5.864 -1.718 0.035 1.00 0.00 C ATOM 166 O VAL A 10 -6.524 -1.285 -0.909 1.00 0.00 O ATOM 167 CB VAL A 10 -5.775 -3.506 1.799 1.00 0.00 C ATOM 168 CG1 VAL A 10 -6.384 -4.006 3.099 1.00 0.00 C ATOM 169 CG2 VAL A 10 -5.747 -4.612 0.756 1.00 0.00 C ATOM 0 H VAL A 10 -8.167 -3.617 1.154 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.570 -1.514 2.048 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.747 -3.201 1.995 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.822 -4.869 3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -6.347 -3.214 3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.421 -4.295 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.190 -5.465 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.767 -4.920 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.264 -4.246 -0.150 1.00 0.00 H new ATOM 179 N GLU A 11 -4.534 -1.710 0.048 1.00 0.00 N ATOM 180 CA GLU A 11 -3.760 -1.193 -1.074 1.00 0.00 C ATOM 181 C GLU A 11 -2.351 -1.775 -1.060 1.00 0.00 C ATOM 182 O GLU A 11 -1.935 -2.391 -0.079 1.00 0.00 O ATOM 183 CB GLU A 11 -3.700 0.340 -1.044 1.00 0.00 C ATOM 184 CG GLU A 11 -3.848 0.950 0.344 1.00 0.00 C ATOM 185 CD GLU A 11 -2.514 1.200 1.017 1.00 0.00 C ATOM 186 OE1 GLU A 11 -1.531 1.472 0.299 1.00 0.00 O ATOM 187 OE2 GLU A 11 -2.452 1.123 2.262 1.00 0.00 O ATOM 0 H GLU A 11 -3.970 -2.056 0.824 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.259 -1.496 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.750 0.662 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.487 0.735 -1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.394 1.891 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.446 0.285 0.967 1.00 0.00 H new ATOM 194 N ARG A 12 -1.622 -1.589 -2.156 1.00 0.00 N ATOM 195 CA ARG A 12 -0.267 -2.109 -2.260 1.00 0.00 C ATOM 196 C ARG A 12 0.736 -1.009 -1.906 1.00 0.00 C ATOM 197 O ARG A 12 1.289 -0.344 -2.779 1.00 0.00 O ATOM 198 CB ARG A 12 -0.009 -2.686 -3.671 1.00 0.00 C ATOM 199 CG ARG A 12 -1.012 -3.764 -4.106 1.00 0.00 C ATOM 200 CD ARG A 12 -2.455 -3.274 -4.150 1.00 0.00 C ATOM 201 NE ARG A 12 -3.381 -4.344 -4.520 1.00 0.00 N ATOM 202 CZ ARG A 12 -3.461 -4.874 -5.738 1.00 0.00 C ATOM 203 NH1 ARG A 12 -2.689 -4.424 -6.716 1.00 0.00 N ATOM 204 NH2 ARG A 12 -4.319 -5.856 -5.979 1.00 0.00 N ATOM 0 H ARG A 12 -1.947 -1.084 -2.980 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.140 -2.927 -1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.033 -1.871 -4.394 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.996 -3.108 -3.700 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.732 -4.132 -5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.945 -4.609 -3.420 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.733 -2.874 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.540 -2.456 -4.866 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.005 -4.707 -3.799 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.029 -3.667 -6.537 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.755 -4.834 -7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.918 -6.205 -5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.380 -6.262 -6.913 1.00 0.00 H new ATOM 218 N ILE A 13 0.928 -0.813 -0.600 1.00 0.00 N ATOM 219 CA ILE A 13 1.820 0.221 -0.065 1.00 0.00 C ATOM 220 C ILE A 13 1.139 1.591 -0.090 1.00 0.00 C ATOM 221 O ILE A 13 0.859 2.129 -1.162 1.00 0.00 O ATOM 222 CB ILE A 13 3.149 0.385 -0.847 1.00 0.00 C ATOM 223 CG1 ILE A 13 4.091 -0.814 -0.749 1.00 0.00 C ATOM 224 CG2 ILE A 13 3.892 1.603 -0.306 1.00 0.00 C ATOM 225 CD1 ILE A 13 3.420 -2.144 -0.576 1.00 0.00 C ATOM 0 H ILE A 13 0.468 -1.369 0.121 1.00 0.00 H new ATOM 0 HA ILE A 13 2.044 -0.117 0.947 1.00 0.00 H new ATOM 0 HB ILE A 13 2.869 0.490 -1.895 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.703 -0.849 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.768 -0.655 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.829 1.728 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.276 2.493 -0.436 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.103 1.459 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.175 -2.928 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.831 -2.138 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.765 -2.334 -1.426 1.00 0.00 H new ATOM 237 N VAL A 14 0.920 2.177 1.080 1.00 0.00 N ATOM 238 CA VAL A 14 0.339 3.514 1.151 1.00 0.00 C ATOM 239 C VAL A 14 1.460 4.538 1.302 1.00 0.00 C ATOM 240 O VAL A 14 1.266 5.729 1.059 1.00 0.00 O ATOM 241 CB VAL A 14 -0.689 3.680 2.306 1.00 0.00 C ATOM 242 CG1 VAL A 14 -0.364 2.776 3.465 1.00 0.00 C ATOM 243 CG2 VAL A 14 -0.757 5.114 2.803 1.00 0.00 C ATOM 0 H VAL A 14 1.132 1.755 1.984 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.212 3.675 0.225 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.659 3.404 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.102 2.917 4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.382 1.738 3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.628 3.017 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.487 5.185 3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.222 5.418 3.172 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.055 5.769 1.984 1.00 0.00 H new ATOM 253 N ASP A 15 2.637 4.057 1.697 1.00 0.00 N ATOM 254 CA ASP A 15 3.797 4.922 1.874 1.00 0.00 C ATOM 255 C ASP A 15 5.048 4.070 1.989 1.00 0.00 C ATOM 256 O ASP A 15 4.957 2.851 2.046 1.00 0.00 O ATOM 257 CB ASP A 15 3.641 5.804 3.112 1.00 0.00 C ATOM 258 CG ASP A 15 4.381 7.121 2.984 1.00 0.00 C ATOM 259 OD1 ASP A 15 3.982 7.946 2.135 1.00 0.00 O ATOM 260 OD2 ASP A 15 5.358 7.328 3.734 1.00 0.00 O ATOM 0 H ASP A 15 2.811 3.073 1.900 1.00 0.00 H new ATOM 0 HA ASP A 15 3.881 5.577 1.007 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.583 6.001 3.283 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.010 5.267 3.986 1.00 0.00 H new ATOM 265 N GLU A 16 6.216 4.688 1.963 1.00 0.00 N ATOM 266 CA GLU A 16 7.447 3.917 2.027 1.00 0.00 C ATOM 267 C GLU A 16 8.609 4.731 2.590 1.00 0.00 C ATOM 268 O GLU A 16 8.681 5.949 2.427 1.00 0.00 O ATOM 269 CB GLU A 16 7.780 3.354 0.639 1.00 0.00 C ATOM 270 CG GLU A 16 7.111 4.110 -0.490 1.00 0.00 C ATOM 271 CD GLU A 16 7.398 5.598 -0.452 1.00 0.00 C ATOM 272 OE1 GLU A 16 8.586 5.970 -0.351 1.00 0.00 O ATOM 273 OE2 GLU A 16 6.436 6.391 -0.524 1.00 0.00 O ATOM 0 H GLU A 16 6.339 5.699 1.900 1.00 0.00 H new ATOM 0 HA GLU A 16 7.290 3.088 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.860 3.379 0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.477 2.308 0.596 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.449 3.704 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.034 3.951 -0.439 1.00 0.00 H new ATOM 280 N LYS A 17 9.522 4.021 3.238 1.00 0.00 N ATOM 281 CA LYS A 17 10.711 4.605 3.839 1.00 0.00 C ATOM 282 C LYS A 17 11.965 3.963 3.268 1.00 0.00 C ATOM 283 O LYS A 17 12.138 2.734 3.336 1.00 0.00 O ATOM 284 CB LYS A 17 10.721 4.403 5.349 1.00 0.00 C ATOM 285 CG LYS A 17 10.397 5.653 6.148 1.00 0.00 C ATOM 286 CD LYS A 17 9.235 5.421 7.096 1.00 0.00 C ATOM 287 CE LYS A 17 9.418 4.160 7.931 1.00 0.00 C ATOM 288 NZ LYS A 17 9.420 4.458 9.390 1.00 0.00 N ATOM 0 H LYS A 17 9.456 3.011 3.362 1.00 0.00 H new ATOM 0 HA LYS A 17 10.695 5.671 3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.001 3.626 5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.704 4.039 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.275 5.961 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.155 6.469 5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.130 6.281 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.311 5.345 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.618 3.455 7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.356 3.676 7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.056 3.796 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.749 5.432 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.456 4.354 9.767 1.00 0.00 H new ATOM 302 N LEU A 18 12.846 4.804 2.748 1.00 0.00 N ATOM 303 CA LEU A 18 14.107 4.348 2.187 1.00 0.00 C ATOM 304 C LEU A 18 15.276 4.856 3.012 1.00 0.00 C ATOM 305 O LEU A 18 15.138 5.781 3.812 1.00 0.00 O ATOM 306 CB LEU A 18 14.273 4.815 0.739 1.00 0.00 C ATOM 307 CG LEU A 18 12.980 4.909 -0.071 1.00 0.00 C ATOM 308 CD1 LEU A 18 13.267 5.448 -1.464 1.00 0.00 C ATOM 309 CD2 LEU A 18 12.310 3.547 -0.150 1.00 0.00 C ATOM 0 H LEU A 18 12.708 5.814 2.703 1.00 0.00 H new ATOM 0 HA LEU A 18 14.095 3.258 2.206 1.00 0.00 H new ATOM 0 HB2 LEU A 18 14.751 5.794 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 18 14.952 4.131 0.230 1.00 0.00 H new ATOM 0 HG LEU A 18 12.301 5.599 0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.337 5.509 -2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 18 13.710 6.441 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 18 13.960 4.781 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 18 11.390 3.627 -0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.983 2.838 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 18 12.076 3.198 0.856 1.00 0.00 H new ATOM 321 N ASP A 19 16.426 4.238 2.806 1.00 0.00 N ATOM 322 CA ASP A 19 17.639 4.609 3.522 1.00 0.00 C ATOM 323 C ASP A 19 18.528 5.492 2.646 1.00 0.00 C ATOM 324 O ASP A 19 18.119 5.922 1.567 1.00 0.00 O ATOM 325 CB ASP A 19 18.390 3.344 3.949 1.00 0.00 C ATOM 326 CG ASP A 19 18.715 2.446 2.771 1.00 0.00 C ATOM 327 OD1 ASP A 19 18.778 2.959 1.634 1.00 0.00 O ATOM 328 OD2 ASP A 19 18.901 1.229 2.985 1.00 0.00 O ATOM 0 H ASP A 19 16.548 3.471 2.144 1.00 0.00 H new ATOM 0 HA ASP A 19 17.369 5.178 4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.314 3.625 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.787 2.791 4.670 1.00 0.00 H new ATOM 333 N ARG A 20 19.750 5.743 3.106 1.00 0.00 N ATOM 334 CA ARG A 20 20.704 6.564 2.358 1.00 0.00 C ATOM 335 C ARG A 20 21.265 5.795 1.158 1.00 0.00 C ATOM 336 O ARG A 20 22.038 6.334 0.366 1.00 0.00 O ATOM 337 CB ARG A 20 21.851 7.016 3.267 1.00 0.00 C ATOM 338 CG ARG A 20 21.412 7.393 4.675 1.00 0.00 C ATOM 339 CD ARG A 20 21.342 8.898 4.860 1.00 0.00 C ATOM 340 NE ARG A 20 20.095 9.455 4.340 1.00 0.00 N ATOM 341 CZ ARG A 20 19.556 10.596 4.765 1.00 0.00 C ATOM 342 NH1 ARG A 20 20.156 11.313 5.708 1.00 0.00 N ATOM 343 NH2 ARG A 20 18.414 11.024 4.243 1.00 0.00 N ATOM 0 H ARG A 20 20.106 5.390 3.994 1.00 0.00 H new ATOM 0 HA ARG A 20 20.174 7.443 1.991 1.00 0.00 H new ATOM 0 HB2 ARG A 20 22.589 6.216 3.329 1.00 0.00 H new ATOM 0 HB3 ARG A 20 22.347 7.872 2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 20 20.435 6.956 4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 20 22.109 6.970 5.398 1.00 0.00 H new ATOM 0 HD2 ARG A 20 21.432 9.138 5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.187 9.365 4.354 1.00 0.00 H new ATOM 0 HE ARG A 20 19.608 8.939 3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 20 21.036 10.991 6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.737 12.186 6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.949 10.479 3.517 1.00 0.00 H new ATOM 0 HH22 ARG A 20 18.001 11.898 4.568 1.00 0.00 H new ATOM 357 N ASN A 21 20.877 4.529 1.046 1.00 0.00 N ATOM 358 CA ASN A 21 21.328 3.671 -0.023 1.00 0.00 C ATOM 359 C ASN A 21 20.313 3.639 -1.158 1.00 0.00 C ATOM 360 O ASN A 21 20.605 3.164 -2.256 1.00 0.00 O ATOM 361 CB ASN A 21 21.526 2.267 0.531 1.00 0.00 C ATOM 362 CG ASN A 21 22.691 2.176 1.492 1.00 0.00 C ATOM 363 OD1 ASN A 21 23.807 2.590 1.179 1.00 0.00 O ATOM 364 ND2 ASN A 21 22.432 1.636 2.676 1.00 0.00 N ATOM 0 H ASN A 21 20.239 4.076 1.700 1.00 0.00 H new ATOM 0 HA ASN A 21 22.267 4.057 -0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 21 20.616 1.950 1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.687 1.574 -0.295 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.174 1.551 3.371 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.491 1.306 2.891 1.00 0.00 H new ATOM 371 N GLY A 22 19.114 4.136 -0.879 1.00 0.00 N ATOM 372 CA GLY A 22 18.066 4.143 -1.870 1.00 0.00 C ATOM 373 C GLY A 22 17.259 2.863 -1.830 1.00 0.00 C ATOM 374 O GLY A 22 16.320 2.677 -2.604 1.00 0.00 O ATOM 0 H GLY A 22 18.852 4.535 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.408 4.995 -1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.501 4.270 -2.861 1.00 0.00 H new ATOM 378 N ALA A 23 17.632 1.989 -0.904 1.00 0.00 N ATOM 379 CA ALA A 23 16.970 0.727 -0.709 1.00 0.00 C ATOM 380 C ALA A 23 15.815 0.915 0.247 1.00 0.00 C ATOM 381 O ALA A 23 15.851 1.780 1.120 1.00 0.00 O ATOM 382 CB ALA A 23 17.955 -0.296 -0.172 1.00 0.00 C ATOM 0 H ALA A 23 18.412 2.148 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 23 16.585 0.360 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.447 -1.249 -0.027 1.00 0.00 H new ATOM 0 HB2 ALA A 23 18.771 -0.424 -0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 23 18.356 0.050 0.781 1.00 0.00 H new ATOM 388 N VAL A 24 14.784 0.125 0.069 1.00 0.00 N ATOM 389 CA VAL A 24 13.602 0.233 0.900 1.00 0.00 C ATOM 390 C VAL A 24 13.764 -0.512 2.217 1.00 0.00 C ATOM 391 O VAL A 24 14.001 -1.719 2.237 1.00 0.00 O ATOM 392 CB VAL A 24 12.388 -0.291 0.139 1.00 0.00 C ATOM 393 CG1 VAL A 24 11.117 -0.057 0.933 1.00 0.00 C ATOM 394 CG2 VAL A 24 12.335 0.381 -1.228 1.00 0.00 C ATOM 0 H VAL A 24 14.736 -0.602 -0.645 1.00 0.00 H new ATOM 0 HA VAL A 24 13.455 1.286 1.140 1.00 0.00 H new ATOM 0 HB VAL A 24 12.476 -1.368 -0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.263 -0.438 0.373 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.185 -0.576 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.989 1.011 1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 24 11.470 0.013 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.252 1.460 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 24 13.245 0.151 -1.782 1.00 0.00 H new ATOM 404 N LYS A 25 13.651 0.224 3.317 1.00 0.00 N ATOM 405 CA LYS A 25 13.799 -0.358 4.642 1.00 0.00 C ATOM 406 C LYS A 25 12.450 -0.581 5.318 1.00 0.00 C ATOM 407 O LYS A 25 12.336 -1.424 6.209 1.00 0.00 O ATOM 408 CB LYS A 25 14.672 0.538 5.525 1.00 0.00 C ATOM 409 CG LYS A 25 16.124 0.612 5.078 1.00 0.00 C ATOM 410 CD LYS A 25 16.859 -0.691 5.349 1.00 0.00 C ATOM 411 CE LYS A 25 16.959 -1.546 4.096 1.00 0.00 C ATOM 412 NZ LYS A 25 17.246 -2.973 4.415 1.00 0.00 N ATOM 0 H LYS A 25 13.457 1.225 3.315 1.00 0.00 H new ATOM 0 HA LYS A 25 14.280 -1.328 4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.252 1.544 5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.635 0.169 6.550 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.166 0.840 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.625 1.428 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.859 -0.474 5.724 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.340 -1.247 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.026 -1.480 3.537 1.00 0.00 H new ATOM 0 HE3 LYS A 25 17.745 -1.154 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.306 -3.521 3.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.149 -3.040 4.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.483 -3.356 5.009 1.00 0.00 H new ATOM 426 N LEU A 26 11.426 0.166 4.905 1.00 0.00 N ATOM 427 CA LEU A 26 10.105 0.014 5.522 1.00 0.00 C ATOM 428 C LEU A 26 8.981 0.482 4.610 1.00 0.00 C ATOM 429 O LEU A 26 9.206 1.236 3.682 1.00 0.00 O ATOM 430 CB LEU A 26 10.046 0.835 6.811 1.00 0.00 C ATOM 431 CG LEU A 26 10.116 0.038 8.107 1.00 0.00 C ATOM 432 CD1 LEU A 26 10.483 0.959 9.263 1.00 0.00 C ATOM 433 CD2 LEU A 26 8.792 -0.666 8.378 1.00 0.00 C ATOM 0 H LEU A 26 11.480 0.866 4.165 1.00 0.00 H new ATOM 0 HA LEU A 26 9.966 -1.049 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.868 1.551 6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.121 1.412 6.810 1.00 0.00 H new ATOM 0 HG LEU A 26 10.888 -0.725 8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.531 0.382 10.187 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.453 1.416 9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.727 1.739 9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.863 -1.230 9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.997 0.075 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.568 -1.347 7.557 1.00 0.00 H new ATOM 445 N TYR A 27 7.764 0.026 4.880 1.00 0.00 N ATOM 446 CA TYR A 27 6.596 0.416 4.092 1.00 0.00 C ATOM 447 C TYR A 27 5.409 0.679 5.002 1.00 0.00 C ATOM 448 O TYR A 27 5.262 0.042 6.044 1.00 0.00 O ATOM 449 CB TYR A 27 6.168 -0.684 3.115 1.00 0.00 C ATOM 450 CG TYR A 27 7.090 -0.898 1.953 1.00 0.00 C ATOM 451 CD1 TYR A 27 7.093 -0.034 0.875 1.00 0.00 C ATOM 452 CD2 TYR A 27 7.935 -1.979 1.933 1.00 0.00 C ATOM 453 CE1 TYR A 27 7.927 -0.246 -0.199 1.00 0.00 C ATOM 454 CE2 TYR A 27 8.770 -2.208 0.877 1.00 0.00 C ATOM 455 CZ TYR A 27 8.769 -1.341 -0.196 1.00 0.00 C ATOM 456 OH TYR A 27 9.609 -1.565 -1.262 1.00 0.00 O ATOM 0 H TYR A 27 7.557 -0.618 5.643 1.00 0.00 H new ATOM 0 HA TYR A 27 6.885 1.311 3.540 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.078 -1.621 3.664 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.176 -0.442 2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.432 0.820 0.875 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.940 -2.662 2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.923 0.437 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.428 -3.064 0.882 1.00 0.00 H new ATOM 0 HH TYR A 27 10.134 -2.376 -1.100 1.00 0.00 H new ATOM 466 N ARG A 28 4.538 1.573 4.571 1.00 0.00 N ATOM 467 CA ARG A 28 3.331 1.876 5.306 1.00 0.00 C ATOM 468 C ARG A 28 2.147 1.313 4.556 1.00 0.00 C ATOM 469 O ARG A 28 1.997 1.572 3.345 1.00 0.00 O ATOM 470 CB ARG A 28 3.126 3.378 5.487 1.00 0.00 C ATOM 471 CG ARG A 28 1.857 3.710 6.256 1.00 0.00 C ATOM 472 CD ARG A 28 1.639 5.207 6.369 1.00 0.00 C ATOM 473 NE ARG A 28 0.295 5.592 5.942 1.00 0.00 N ATOM 474 CZ ARG A 28 -0.424 6.558 6.510 1.00 0.00 C ATOM 475 NH1 ARG A 28 0.059 7.249 7.536 1.00 0.00 N ATOM 476 NH2 ARG A 28 -1.637 6.835 6.049 1.00 0.00 N ATOM 0 H ARG A 28 4.649 2.104 3.707 1.00 0.00 H new ATOM 0 HA ARG A 28 3.424 1.428 6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.984 3.797 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.088 3.856 4.508 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.001 3.255 5.758 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.913 3.275 7.254 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.797 5.521 7.401 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.378 5.729 5.761 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.119 5.088 5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.990 7.042 7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.501 7.987 7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.016 6.309 5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.191 7.574 6.482 1.00 0.00 H new ATOM 490 N ILE A 29 1.327 0.547 5.289 1.00 0.00 N ATOM 491 CA ILE A 29 0.128 -0.088 4.745 1.00 0.00 C ATOM 492 C ILE A 29 -1.097 0.302 5.569 1.00 0.00 C ATOM 493 O ILE A 29 -1.190 -0.027 6.752 1.00 0.00 O ATOM 494 CB ILE A 29 0.245 -1.625 4.748 1.00 0.00 C ATOM 495 CG1 ILE A 29 1.635 -2.053 4.256 1.00 0.00 C ATOM 496 CG2 ILE A 29 -0.867 -2.235 3.898 1.00 0.00 C ATOM 497 CD1 ILE A 29 1.681 -3.441 3.653 1.00 0.00 C ATOM 0 H ILE A 29 1.481 0.352 6.278 1.00 0.00 H new ATOM 0 HA ILE A 29 0.022 0.258 3.717 1.00 0.00 H new ATOM 0 HB ILE A 29 0.128 -1.994 5.767 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.982 -1.335 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.333 -2.009 5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.777 -3.321 3.906 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.836 -1.949 4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.783 -1.871 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.698 -3.664 3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.367 -4.172 4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.011 -3.487 2.795 1.00 0.00 H new ATOM 509 N ARG A 30 -2.048 0.977 4.938 1.00 0.00 N ATOM 510 CA ARG A 30 -3.262 1.391 5.617 1.00 0.00 C ATOM 511 C ARG A 30 -4.370 0.375 5.385 1.00 0.00 C ATOM 512 O ARG A 30 -4.470 -0.202 4.302 1.00 0.00 O ATOM 513 CB ARG A 30 -3.699 2.775 5.135 1.00 0.00 C ATOM 514 CG ARG A 30 -4.038 2.832 3.655 1.00 0.00 C ATOM 515 CD ARG A 30 -5.157 3.823 3.382 1.00 0.00 C ATOM 516 NE ARG A 30 -4.835 4.729 2.280 1.00 0.00 N ATOM 517 CZ ARG A 30 -4.237 5.908 2.437 1.00 0.00 C ATOM 518 NH1 ARG A 30 -3.871 6.324 3.645 1.00 0.00 N ATOM 519 NH2 ARG A 30 -4.000 6.675 1.382 1.00 0.00 N ATOM 0 H ARG A 30 -1.999 1.248 3.956 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.059 1.446 6.686 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.570 3.091 5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.903 3.490 5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.152 3.116 3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.334 1.842 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.072 3.280 3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -5.353 4.404 4.283 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.084 4.440 1.334 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.048 5.738 4.461 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.413 7.229 3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.276 6.362 0.451 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -3.542 7.579 1.501 1.00 0.00 H new ATOM 533 N TRP A 31 -5.198 0.150 6.401 1.00 0.00 N ATOM 534 CA TRP A 31 -6.300 -0.798 6.280 1.00 0.00 C ATOM 535 C TRP A 31 -7.452 -0.436 7.209 1.00 0.00 C ATOM 536 O TRP A 31 -7.406 -0.710 8.409 1.00 0.00 O ATOM 537 CB TRP A 31 -5.886 -2.257 6.546 1.00 0.00 C ATOM 538 CG TRP A 31 -4.419 -2.515 6.706 1.00 0.00 C ATOM 539 CD1 TRP A 31 -3.499 -1.689 7.256 1.00 0.00 C ATOM 540 CD2 TRP A 31 -3.720 -3.705 6.325 1.00 0.00 C ATOM 541 NE1 TRP A 31 -2.258 -2.281 7.242 1.00 0.00 N ATOM 542 CE2 TRP A 31 -2.369 -3.524 6.674 1.00 0.00 C ATOM 543 CE3 TRP A 31 -4.108 -4.903 5.721 1.00 0.00 C ATOM 544 CZ2 TRP A 31 -1.403 -4.501 6.438 1.00 0.00 C ATOM 545 CZ3 TRP A 31 -3.153 -5.871 5.487 1.00 0.00 C ATOM 546 CH2 TRP A 31 -1.812 -5.667 5.845 1.00 0.00 C ATOM 0 H TRP A 31 -5.128 0.607 7.310 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.622 -0.726 5.241 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.393 -2.597 7.449 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -6.253 -2.872 5.724 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.709 -0.706 7.650 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -1.397 -1.864 7.596 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.138 -5.069 5.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.370 -4.345 6.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -3.443 -6.801 5.021 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.088 -6.444 5.650 1.00 0.00 H new ATOM 557 N LEU A 32 -8.498 0.145 6.637 1.00 0.00 N ATOM 558 CA LEU A 32 -9.681 0.511 7.399 1.00 0.00 C ATOM 559 C LEU A 32 -10.455 -0.748 7.767 1.00 0.00 C ATOM 560 O LEU A 32 -10.507 -1.149 8.929 1.00 0.00 O ATOM 561 CB LEU A 32 -10.563 1.450 6.569 1.00 0.00 C ATOM 562 CG LEU A 32 -11.855 1.927 7.237 1.00 0.00 C ATOM 563 CD1 LEU A 32 -12.878 0.806 7.332 1.00 0.00 C ATOM 564 CD2 LEU A 32 -11.567 2.513 8.611 1.00 0.00 C ATOM 0 H LEU A 32 -8.550 0.373 5.644 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.382 1.027 8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.973 2.326 6.299 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.824 0.943 5.640 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.281 2.711 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.783 1.179 7.811 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.119 0.447 6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.466 -0.013 7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.499 2.846 9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.105 1.753 9.241 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.890 3.361 8.510 1.00 0.00 H new ATOM 576 N ASN A 33 -11.046 -1.363 6.751 1.00 0.00 N ATOM 577 CA ASN A 33 -11.826 -2.589 6.933 1.00 0.00 C ATOM 578 C ASN A 33 -11.089 -3.582 7.833 1.00 0.00 C ATOM 579 O ASN A 33 -11.685 -4.187 8.726 1.00 0.00 O ATOM 580 CB ASN A 33 -12.130 -3.247 5.582 1.00 0.00 C ATOM 581 CG ASN A 33 -12.551 -2.263 4.523 1.00 0.00 C ATOM 582 OD1 ASN A 33 -11.855 -1.287 4.241 1.00 0.00 O ATOM 583 ND2 ASN A 33 -13.698 -2.525 3.925 1.00 0.00 N ATOM 0 H ASN A 33 -11.002 -1.034 5.786 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.765 -2.312 7.413 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.245 -3.783 5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.919 -3.987 5.715 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.045 -1.905 3.193 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.238 -3.347 4.195 1.00 0.00 H new ATOM 590 N TYR A 34 -9.790 -3.743 7.592 1.00 0.00 N ATOM 591 CA TYR A 34 -8.967 -4.663 8.377 1.00 0.00 C ATOM 592 C TYR A 34 -8.640 -4.075 9.745 1.00 0.00 C ATOM 593 O TYR A 34 -9.122 -2.999 10.101 1.00 0.00 O ATOM 594 CB TYR A 34 -7.649 -4.956 7.656 1.00 0.00 C ATOM 595 CG TYR A 34 -7.772 -5.824 6.425 1.00 0.00 C ATOM 596 CD1 TYR A 34 -8.692 -5.534 5.428 1.00 0.00 C ATOM 597 CD2 TYR A 34 -6.952 -6.931 6.261 1.00 0.00 C ATOM 598 CE1 TYR A 34 -8.796 -6.330 4.302 1.00 0.00 C ATOM 599 CE2 TYR A 34 -7.047 -7.730 5.140 1.00 0.00 C ATOM 600 CZ TYR A 34 -7.972 -7.427 4.163 1.00 0.00 C ATOM 601 OH TYR A 34 -8.071 -8.221 3.043 1.00 0.00 O ATOM 0 H TYR A 34 -9.283 -3.248 6.858 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.540 -5.582 8.500 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.191 -4.009 7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.969 -5.440 8.357 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -9.337 -4.674 5.533 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.227 -7.172 7.024 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.519 -6.094 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.401 -8.588 5.028 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.419 -8.950 3.100 1.00 0.00 H new ATOM 611 N SER A 35 -7.791 -4.795 10.485 1.00 0.00 N ATOM 612 CA SER A 35 -7.333 -4.387 11.817 1.00 0.00 C ATOM 613 C SER A 35 -8.234 -3.326 12.459 1.00 0.00 C ATOM 614 O SER A 35 -9.299 -3.646 12.983 1.00 0.00 O ATOM 615 CB SER A 35 -5.890 -3.889 11.722 1.00 0.00 C ATOM 616 OG SER A 35 -5.532 -3.118 12.857 1.00 0.00 O ATOM 0 H SER A 35 -7.399 -5.684 10.174 1.00 0.00 H new ATOM 0 HA SER A 35 -7.384 -5.260 12.468 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.215 -4.740 11.631 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.769 -3.289 10.820 1.00 0.00 H new ATOM 0 HG SER A 35 -4.604 -2.816 12.768 1.00 0.00 H new ATOM 622 N SER A 36 -7.805 -2.062 12.419 1.00 0.00 N ATOM 623 CA SER A 36 -8.583 -0.979 13.006 1.00 0.00 C ATOM 624 C SER A 36 -7.901 0.374 12.792 1.00 0.00 C ATOM 625 O SER A 36 -7.034 0.515 11.929 1.00 0.00 O ATOM 626 CB SER A 36 -8.791 -1.237 14.503 1.00 0.00 C ATOM 627 OG SER A 36 -10.165 -1.188 14.843 1.00 0.00 O ATOM 0 H SER A 36 -6.928 -1.769 11.988 1.00 0.00 H new ATOM 0 HA SER A 36 -9.552 -0.948 12.508 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.382 -2.212 14.767 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.243 -0.494 15.083 1.00 0.00 H new ATOM 0 HG SER A 36 -10.271 -1.357 15.802 1.00 0.00 H new ATOM 633 N ARG A 37 -8.308 1.363 13.586 1.00 0.00 N ATOM 634 CA ARG A 37 -7.760 2.718 13.506 1.00 0.00 C ATOM 635 C ARG A 37 -6.243 2.723 13.291 1.00 0.00 C ATOM 636 O ARG A 37 -5.522 1.888 13.835 1.00 0.00 O ATOM 637 CB ARG A 37 -8.107 3.486 14.788 1.00 0.00 C ATOM 638 CG ARG A 37 -7.515 4.887 14.860 1.00 0.00 C ATOM 639 CD ARG A 37 -8.535 5.946 14.472 1.00 0.00 C ATOM 640 NE ARG A 37 -7.979 7.296 14.565 1.00 0.00 N ATOM 641 CZ ARG A 37 -8.445 8.246 15.376 1.00 0.00 C ATOM 642 NH1 ARG A 37 -9.478 8.009 16.177 1.00 0.00 N ATOM 643 NH2 ARG A 37 -7.872 9.442 15.387 1.00 0.00 N ATOM 0 H ARG A 37 -9.026 1.249 14.302 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.210 3.205 12.641 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.191 3.558 14.872 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.758 2.912 15.647 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.156 5.080 15.871 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.652 4.952 14.198 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.879 5.764 13.454 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.407 5.866 15.122 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.183 7.525 13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.924 7.092 16.176 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.825 8.744 16.793 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.078 9.633 14.776 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.226 10.171 16.006 1.00 0.00 H new ATOM 657 N SER A 38 -5.776 3.694 12.506 1.00 0.00 N ATOM 658 CA SER A 38 -4.352 3.856 12.217 1.00 0.00 C ATOM 659 C SER A 38 -3.797 2.711 11.370 1.00 0.00 C ATOM 660 O SER A 38 -4.304 1.591 11.400 1.00 0.00 O ATOM 661 CB SER A 38 -3.556 3.972 13.521 1.00 0.00 C ATOM 662 OG SER A 38 -3.197 2.695 14.021 1.00 0.00 O ATOM 0 H SER A 38 -6.372 4.388 12.054 1.00 0.00 H new ATOM 0 HA SER A 38 -4.245 4.773 11.638 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.657 4.564 13.349 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.149 4.503 14.266 1.00 0.00 H new ATOM 0 HG SER A 38 -4.007 2.201 14.268 1.00 0.00 H new ATOM 668 N ASP A 39 -2.732 3.014 10.628 1.00 0.00 N ATOM 669 CA ASP A 39 -2.068 2.034 9.771 1.00 0.00 C ATOM 670 C ASP A 39 -0.848 1.463 10.484 1.00 0.00 C ATOM 671 O ASP A 39 -0.480 1.935 11.561 1.00 0.00 O ATOM 672 CB ASP A 39 -1.641 2.692 8.454 1.00 0.00 C ATOM 673 CG ASP A 39 -0.844 3.964 8.684 1.00 0.00 C ATOM 674 OD1 ASP A 39 -1.465 5.044 8.786 1.00 0.00 O ATOM 675 OD2 ASP A 39 0.399 3.879 8.758 1.00 0.00 O ATOM 0 H ASP A 39 -2.307 3.941 10.604 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.765 1.225 9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.042 1.989 7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.526 2.921 7.860 1.00 0.00 H new ATOM 680 N THR A 40 -0.200 0.468 9.883 1.00 0.00 N ATOM 681 CA THR A 40 0.988 -0.127 10.483 1.00 0.00 C ATOM 682 C THR A 40 2.126 -0.202 9.471 1.00 0.00 C ATOM 683 O THR A 40 1.909 -0.112 8.260 1.00 0.00 O ATOM 684 CB THR A 40 0.686 -1.524 11.038 1.00 0.00 C ATOM 685 OG1 THR A 40 1.795 -2.392 10.864 1.00 0.00 O ATOM 686 CG2 THR A 40 -0.517 -2.186 10.400 1.00 0.00 C ATOM 0 H THR A 40 -0.475 0.061 8.989 1.00 0.00 H new ATOM 0 HA THR A 40 1.296 0.513 11.310 1.00 0.00 H new ATOM 0 HB THR A 40 0.471 -1.363 12.095 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.579 -3.276 11.227 1.00 0.00 H new ATOM 0 HG21 THR A 40 -0.668 -3.170 10.843 1.00 0.00 H new ATOM 0 HG22 THR A 40 -1.402 -1.572 10.568 1.00 0.00 H new ATOM 0 HG23 THR A 40 -0.348 -2.293 9.328 1.00 0.00 H new ATOM 694 N TRP A 41 3.343 -0.345 9.984 1.00 0.00 N ATOM 695 CA TRP A 41 4.529 -0.409 9.148 1.00 0.00 C ATOM 696 C TRP A 41 5.100 -1.827 9.099 1.00 0.00 C ATOM 697 O TRP A 41 5.231 -2.501 10.120 1.00 0.00 O ATOM 698 CB TRP A 41 5.587 0.572 9.666 1.00 0.00 C ATOM 699 CG TRP A 41 5.127 1.999 9.637 1.00 0.00 C ATOM 700 CD1 TRP A 41 4.314 2.619 10.542 1.00 0.00 C ATOM 701 CD2 TRP A 41 5.443 2.980 8.643 1.00 0.00 C ATOM 702 NE1 TRP A 41 4.104 3.926 10.169 1.00 0.00 N ATOM 703 CE2 TRP A 41 4.788 4.172 9.009 1.00 0.00 C ATOM 704 CE3 TRP A 41 6.215 2.966 7.478 1.00 0.00 C ATOM 705 CZ2 TRP A 41 4.885 5.337 8.251 1.00 0.00 C ATOM 706 CZ3 TRP A 41 6.308 4.121 6.727 1.00 0.00 C ATOM 707 CH2 TRP A 41 5.647 5.294 7.117 1.00 0.00 C ATOM 0 H TRP A 41 3.531 -0.419 10.984 1.00 0.00 H new ATOM 0 HA TRP A 41 4.245 -0.129 8.134 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.855 0.303 10.688 1.00 0.00 H new ATOM 0 HB3 TRP A 41 6.490 0.475 9.064 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.897 2.152 11.422 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.532 4.602 10.675 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.730 2.068 7.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.376 6.242 8.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 6.900 4.121 5.824 1.00 0.00 H new ATOM 0 HH2 TRP A 41 5.742 6.182 6.509 1.00 0.00 H new ATOM 718 N GLU A 42 5.453 -2.245 7.896 1.00 0.00 N ATOM 719 CA GLU A 42 6.025 -3.550 7.647 1.00 0.00 C ATOM 720 C GLU A 42 7.146 -3.435 6.619 1.00 0.00 C ATOM 721 O GLU A 42 7.075 -2.602 5.730 1.00 0.00 O ATOM 722 CB GLU A 42 4.957 -4.505 7.123 1.00 0.00 C ATOM 723 CG GLU A 42 3.524 -4.018 7.307 1.00 0.00 C ATOM 724 CD GLU A 42 2.526 -5.155 7.364 1.00 0.00 C ATOM 725 OE1 GLU A 42 2.563 -6.021 6.465 1.00 0.00 O ATOM 726 OE2 GLU A 42 1.707 -5.181 8.307 1.00 0.00 O ATOM 0 H GLU A 42 5.348 -1.677 7.055 1.00 0.00 H new ATOM 0 HA GLU A 42 6.424 -3.939 8.583 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.134 -4.680 6.062 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.068 -5.465 7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.457 -3.435 8.225 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.263 -3.351 6.486 1.00 0.00 H new ATOM 733 N PRO A 43 8.197 -4.261 6.712 1.00 0.00 N ATOM 734 CA PRO A 43 9.301 -4.212 5.758 1.00 0.00 C ATOM 735 C PRO A 43 8.942 -4.814 4.394 1.00 0.00 C ATOM 736 O PRO A 43 7.875 -5.400 4.219 1.00 0.00 O ATOM 737 CB PRO A 43 10.422 -5.018 6.424 1.00 0.00 C ATOM 738 CG PRO A 43 9.893 -5.473 7.750 1.00 0.00 C ATOM 739 CD PRO A 43 8.398 -5.295 7.726 1.00 0.00 C ATOM 0 HA PRO A 43 9.582 -3.181 5.543 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.705 -5.871 5.807 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.315 -4.407 6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.152 -6.517 7.928 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.335 -4.892 8.559 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.887 -6.221 7.462 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.014 -4.985 8.698 1.00 0.00 H new ATOM 747 N PRO A 44 9.865 -4.696 3.419 1.00 0.00 N ATOM 748 CA PRO A 44 9.678 -5.227 2.059 1.00 0.00 C ATOM 749 C PRO A 44 9.750 -6.736 1.982 1.00 0.00 C ATOM 750 O PRO A 44 8.929 -7.392 1.344 1.00 0.00 O ATOM 751 CB PRO A 44 10.842 -4.653 1.270 1.00 0.00 C ATOM 752 CG PRO A 44 11.830 -4.173 2.251 1.00 0.00 C ATOM 753 CD PRO A 44 11.169 -4.053 3.593 1.00 0.00 C ATOM 0 HA PRO A 44 8.690 -4.955 1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 44 11.280 -5.411 0.621 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.508 -3.838 0.628 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.671 -4.864 2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.230 -3.208 1.941 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.754 -4.546 4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.061 -3.010 3.890 1.00 0.00 H new ATOM 761 N GLU A 45 10.776 -7.260 2.602 1.00 0.00 N ATOM 762 CA GLU A 45 11.026 -8.703 2.611 1.00 0.00 C ATOM 763 C GLU A 45 9.774 -9.495 3.010 1.00 0.00 C ATOM 764 O GLU A 45 9.632 -10.662 2.644 1.00 0.00 O ATOM 765 CB GLU A 45 12.187 -9.036 3.548 1.00 0.00 C ATOM 766 CG GLU A 45 13.543 -8.624 2.995 1.00 0.00 C ATOM 767 CD GLU A 45 14.606 -8.520 4.070 1.00 0.00 C ATOM 768 OE1 GLU A 45 14.544 -9.300 5.045 1.00 0.00 O ATOM 769 OE2 GLU A 45 15.500 -7.659 3.940 1.00 0.00 O ATOM 0 H GLU A 45 11.466 -6.713 3.116 1.00 0.00 H new ATOM 0 HA GLU A 45 11.292 -8.997 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.026 -8.540 4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.192 -10.109 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.860 -9.349 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.448 -7.663 2.490 1.00 0.00 H new ATOM 776 N ASN A 46 8.862 -8.855 3.742 1.00 0.00 N ATOM 777 CA ASN A 46 7.631 -9.489 4.162 1.00 0.00 C ATOM 778 C ASN A 46 6.617 -9.480 3.026 1.00 0.00 C ATOM 779 O ASN A 46 5.692 -10.291 2.991 1.00 0.00 O ATOM 780 CB ASN A 46 7.040 -8.735 5.345 1.00 0.00 C ATOM 781 CG ASN A 46 8.014 -8.525 6.483 1.00 0.00 C ATOM 782 OD1 ASN A 46 9.228 -8.625 6.312 1.00 0.00 O ATOM 783 ND2 ASN A 46 7.472 -8.226 7.661 1.00 0.00 N ATOM 0 H ASN A 46 8.963 -7.889 4.054 1.00 0.00 H new ATOM 0 HA ASN A 46 7.854 -10.518 4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.681 -7.764 5.003 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.174 -9.282 5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.070 -8.068 8.472 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.459 -8.154 7.753 1.00 0.00 H new ATOM 790 N LEU A 47 6.801 -8.541 2.106 1.00 0.00 N ATOM 791 CA LEU A 47 5.912 -8.399 0.966 1.00 0.00 C ATOM 792 C LEU A 47 6.386 -9.253 -0.201 1.00 0.00 C ATOM 793 O LEU A 47 6.092 -8.952 -1.357 1.00 0.00 O ATOM 794 CB LEU A 47 5.843 -6.947 0.507 1.00 0.00 C ATOM 795 CG LEU A 47 6.393 -5.900 1.479 1.00 0.00 C ATOM 796 CD1 LEU A 47 6.557 -4.576 0.779 1.00 0.00 C ATOM 797 CD2 LEU A 47 5.499 -5.724 2.687 1.00 0.00 C ATOM 0 H LEU A 47 7.564 -7.864 2.130 1.00 0.00 H new ATOM 0 HA LEU A 47 4.923 -8.729 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.387 -6.860 -0.433 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.801 -6.704 0.296 1.00 0.00 H new ATOM 0 HG LEU A 47 7.362 -6.258 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.949 -3.840 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.251 -4.688 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.590 -4.241 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.927 -4.972 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.509 -5.401 2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.416 -6.672 3.219 1.00 0.00 H new ATOM 809 N SER A 48 7.118 -10.310 0.100 1.00 0.00 N ATOM 810 CA SER A 48 7.622 -11.203 -0.935 1.00 0.00 C ATOM 811 C SER A 48 6.460 -11.913 -1.624 1.00 0.00 C ATOM 812 O SER A 48 6.296 -11.817 -2.841 1.00 0.00 O ATOM 813 CB SER A 48 8.591 -12.223 -0.336 1.00 0.00 C ATOM 814 OG SER A 48 7.953 -13.014 0.652 1.00 0.00 O ATOM 0 H SER A 48 7.378 -10.573 1.050 1.00 0.00 H new ATOM 0 HA SER A 48 8.161 -10.612 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.981 -12.866 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.444 -11.705 0.103 1.00 0.00 H new ATOM 0 HG SER A 48 8.593 -13.659 1.018 1.00 0.00 H new ATOM 820 N GLY A 49 5.642 -12.611 -0.835 1.00 0.00 N ATOM 821 CA GLY A 49 4.492 -13.308 -1.386 1.00 0.00 C ATOM 822 C GLY A 49 3.420 -12.350 -1.884 1.00 0.00 C ATOM 823 O GLY A 49 2.374 -12.775 -2.376 1.00 0.00 O ATOM 0 H GLY A 49 5.756 -12.705 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.816 -13.946 -2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.067 -13.961 -0.624 1.00 0.00 H new ATOM 827 N CYS A 50 3.695 -11.054 -1.771 1.00 0.00 N ATOM 828 CA CYS A 50 2.794 -10.014 -2.215 1.00 0.00 C ATOM 829 C CYS A 50 3.242 -9.484 -3.576 1.00 0.00 C ATOM 830 O CYS A 50 2.893 -8.378 -3.979 1.00 0.00 O ATOM 831 CB CYS A 50 2.847 -8.898 -1.200 1.00 0.00 C ATOM 832 SG CYS A 50 2.013 -9.265 0.363 1.00 0.00 S ATOM 0 H CYS A 50 4.561 -10.700 -1.363 1.00 0.00 H new ATOM 0 HA CYS A 50 1.781 -10.405 -2.309 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.891 -8.661 -0.993 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.398 -8.006 -1.636 1.00 0.00 H new ATOM 0 HG CYS A 50 2.120 -8.245 1.162 1.00 0.00 H new ATOM 838 N SER A 51 4.040 -10.296 -4.252 1.00 0.00 N ATOM 839 CA SER A 51 4.594 -9.969 -5.570 1.00 0.00 C ATOM 840 C SER A 51 3.715 -8.977 -6.340 1.00 0.00 C ATOM 841 O SER A 51 4.161 -7.886 -6.686 1.00 0.00 O ATOM 842 CB SER A 51 4.774 -11.246 -6.391 1.00 0.00 C ATOM 843 OG SER A 51 5.184 -12.326 -5.571 1.00 0.00 O ATOM 0 H SER A 51 4.328 -11.210 -3.904 1.00 0.00 H new ATOM 0 HA SER A 51 5.561 -9.492 -5.407 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.837 -11.498 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.514 -11.078 -7.173 1.00 0.00 H new ATOM 0 HG SER A 51 5.291 -13.131 -6.120 1.00 0.00 H new ATOM 849 N ALA A 52 2.473 -9.367 -6.611 1.00 0.00 N ATOM 850 CA ALA A 52 1.542 -8.509 -7.344 1.00 0.00 C ATOM 851 C ALA A 52 1.350 -7.167 -6.642 1.00 0.00 C ATOM 852 O ALA A 52 1.394 -6.100 -7.269 1.00 0.00 O ATOM 853 CB ALA A 52 0.204 -9.216 -7.513 1.00 0.00 C ATOM 0 H ALA A 52 2.086 -10.270 -6.335 1.00 0.00 H new ATOM 0 HA ALA A 52 1.968 -8.310 -8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.483 -8.570 -8.060 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.350 -10.143 -8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.214 -9.442 -6.532 1.00 0.00 H new ATOM 859 N VAL A 53 1.152 -7.221 -5.330 1.00 0.00 N ATOM 860 CA VAL A 53 0.966 -6.012 -4.542 1.00 0.00 C ATOM 861 C VAL A 53 2.130 -5.058 -4.773 1.00 0.00 C ATOM 862 O VAL A 53 1.946 -3.892 -5.148 1.00 0.00 O ATOM 863 CB VAL A 53 0.855 -6.357 -3.029 1.00 0.00 C ATOM 864 CG1 VAL A 53 1.008 -5.132 -2.132 1.00 0.00 C ATOM 865 CG2 VAL A 53 -0.457 -7.069 -2.740 1.00 0.00 C ATOM 0 H VAL A 53 1.116 -8.087 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 53 0.040 -5.531 -4.857 1.00 0.00 H new ATOM 0 HB VAL A 53 1.685 -7.024 -2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.922 -5.433 -1.088 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.985 -4.678 -2.300 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.227 -4.409 -2.367 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.518 -7.303 -1.677 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.290 -6.423 -3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.505 -7.992 -3.318 1.00 0.00 H new ATOM 875 N LEU A 54 3.336 -5.569 -4.584 1.00 0.00 N ATOM 876 CA LEU A 54 4.524 -4.772 -4.801 1.00 0.00 C ATOM 877 C LEU A 54 4.515 -4.234 -6.212 1.00 0.00 C ATOM 878 O LEU A 54 4.985 -3.137 -6.467 1.00 0.00 O ATOM 879 CB LEU A 54 5.786 -5.613 -4.598 1.00 0.00 C ATOM 880 CG LEU A 54 5.995 -6.157 -3.189 1.00 0.00 C ATOM 881 CD1 LEU A 54 7.248 -7.017 -3.134 1.00 0.00 C ATOM 882 CD2 LEU A 54 6.083 -5.015 -2.192 1.00 0.00 C ATOM 0 H LEU A 54 3.514 -6.527 -4.282 1.00 0.00 H new ATOM 0 HA LEU A 54 4.526 -3.952 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.757 -6.453 -5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.652 -5.008 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 54 5.141 -6.780 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.384 -7.398 -2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.146 -7.853 -3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.114 -6.417 -3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.232 -5.417 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.921 -4.369 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.159 -4.438 -2.217 1.00 0.00 H new ATOM 894 N ALA A 55 3.987 -5.036 -7.122 1.00 0.00 N ATOM 895 CA ALA A 55 3.928 -4.674 -8.522 1.00 0.00 C ATOM 896 C ALA A 55 3.023 -3.480 -8.792 1.00 0.00 C ATOM 897 O ALA A 55 3.346 -2.659 -9.661 1.00 0.00 O ATOM 898 CB ALA A 55 3.489 -5.867 -9.359 1.00 0.00 C ATOM 0 H ALA A 55 3.590 -5.951 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 55 4.936 -4.375 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.449 -5.579 -10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.202 -6.682 -9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.501 -6.195 -9.035 1.00 0.00 H new ATOM 904 N GLU A 56 1.900 -3.331 -8.072 1.00 0.00 N ATOM 905 CA GLU A 56 1.064 -2.192 -8.354 1.00 0.00 C ATOM 906 C GLU A 56 1.728 -0.971 -7.752 1.00 0.00 C ATOM 907 O GLU A 56 1.731 0.107 -8.347 1.00 0.00 O ATOM 908 CB GLU A 56 -0.364 -2.408 -7.851 1.00 0.00 C ATOM 909 CG GLU A 56 -0.724 -1.610 -6.627 1.00 0.00 C ATOM 910 CD GLU A 56 -2.096 -0.969 -6.724 1.00 0.00 C ATOM 911 OE1 GLU A 56 -2.885 -1.382 -7.600 1.00 0.00 O ATOM 912 OE2 GLU A 56 -2.382 -0.055 -5.922 1.00 0.00 O ATOM 0 H GLU A 56 1.576 -3.955 -7.333 1.00 0.00 H new ATOM 0 HA GLU A 56 0.965 -2.045 -9.430 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.059 -2.155 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.502 -3.467 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.693 -2.261 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.025 -0.833 -6.473 1.00 0.00 H new ATOM 919 N TRP A 57 2.336 -1.156 -6.581 1.00 0.00 N ATOM 920 CA TRP A 57 3.034 -0.062 -5.931 1.00 0.00 C ATOM 921 C TRP A 57 4.121 0.484 -6.848 1.00 0.00 C ATOM 922 O TRP A 57 4.097 1.657 -7.210 1.00 0.00 O ATOM 923 CB TRP A 57 3.647 -0.504 -4.602 1.00 0.00 C ATOM 924 CG TRP A 57 4.324 0.626 -3.898 1.00 0.00 C ATOM 925 CD1 TRP A 57 5.637 0.702 -3.564 1.00 0.00 C ATOM 926 CD2 TRP A 57 3.727 1.859 -3.470 1.00 0.00 C ATOM 927 NE1 TRP A 57 5.899 1.901 -2.982 1.00 0.00 N ATOM 928 CE2 TRP A 57 4.746 2.635 -2.918 1.00 0.00 C ATOM 929 CE3 TRP A 57 2.434 2.385 -3.521 1.00 0.00 C ATOM 930 CZ2 TRP A 57 4.521 3.911 -2.414 1.00 0.00 C ATOM 931 CZ3 TRP A 57 2.211 3.650 -3.016 1.00 0.00 C ATOM 932 CH2 TRP A 57 3.254 4.402 -2.470 1.00 0.00 C ATOM 0 H TRP A 57 2.357 -2.041 -6.074 1.00 0.00 H new ATOM 0 HA TRP A 57 2.307 0.723 -5.724 1.00 0.00 H new ATOM 0 HB2 TRP A 57 2.867 -0.916 -3.961 1.00 0.00 H new ATOM 0 HB3 TRP A 57 4.366 -1.303 -4.782 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.366 -0.076 -3.736 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.812 2.206 -2.645 1.00 0.00 H new ATOM 0 HE3 TRP A 57 1.624 1.812 -3.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.326 4.494 -1.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 1.214 4.065 -3.043 1.00 0.00 H new ATOM 0 HH2 TRP A 57 3.051 5.391 -2.086 1.00 0.00 H new ATOM 943 N LYS A 58 5.073 -0.368 -7.237 1.00 0.00 N ATOM 944 CA LYS A 58 6.153 0.072 -8.123 1.00 0.00 C ATOM 945 C LYS A 58 5.587 0.781 -9.339 1.00 0.00 C ATOM 946 O LYS A 58 5.991 1.900 -9.652 1.00 0.00 O ATOM 947 CB LYS A 58 7.070 -1.070 -8.580 1.00 0.00 C ATOM 948 CG LYS A 58 6.478 -2.437 -8.431 1.00 0.00 C ATOM 949 CD LYS A 58 7.012 -3.397 -9.484 1.00 0.00 C ATOM 950 CE LYS A 58 6.290 -3.233 -10.814 1.00 0.00 C ATOM 951 NZ LYS A 58 6.017 -4.546 -11.462 1.00 0.00 N ATOM 0 H LYS A 58 5.119 -1.348 -6.959 1.00 0.00 H new ATOM 0 HA LYS A 58 6.763 0.758 -7.535 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.331 -0.913 -9.626 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.998 -1.025 -8.009 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.702 -2.825 -7.437 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.393 -2.375 -8.512 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.079 -3.225 -9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.898 -4.422 -9.132 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.350 -2.704 -10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.893 -2.617 -11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.255 -4.436 -12.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.878 -4.884 -11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.727 -5.236 -10.740 1.00 0.00 H new ATOM 965 N ARG A 59 4.631 0.141 -10.016 1.00 0.00 N ATOM 966 CA ARG A 59 4.007 0.748 -11.186 1.00 0.00 C ATOM 967 C ARG A 59 3.499 2.145 -10.843 1.00 0.00 C ATOM 968 O ARG A 59 3.472 3.039 -11.689 1.00 0.00 O ATOM 969 CB ARG A 59 2.857 -0.124 -11.689 1.00 0.00 C ATOM 970 CG ARG A 59 3.317 -1.356 -12.448 1.00 0.00 C ATOM 971 CD ARG A 59 2.157 -2.057 -13.137 1.00 0.00 C ATOM 972 NE ARG A 59 1.654 -1.294 -14.278 1.00 0.00 N ATOM 973 CZ ARG A 59 0.685 -0.382 -14.198 1.00 0.00 C ATOM 974 NH1 ARG A 59 0.115 -0.105 -13.032 1.00 0.00 N ATOM 975 NH2 ARG A 59 0.287 0.257 -15.290 1.00 0.00 N ATOM 0 H ARG A 59 4.278 -0.785 -9.776 1.00 0.00 H new ATOM 0 HA ARG A 59 4.752 0.829 -11.977 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.250 -0.436 -10.839 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.215 0.473 -12.337 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.062 -1.069 -13.190 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.803 -2.047 -11.760 1.00 0.00 H new ATOM 0 HD2 ARG A 59 2.478 -3.043 -13.474 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.350 -2.212 -12.421 1.00 0.00 H new ATOM 0 HE ARG A 59 2.070 -1.470 -15.192 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.418 -0.591 -12.188 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.626 0.594 -12.980 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.722 0.050 -16.189 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.454 0.955 -15.231 1.00 0.00 H new ATOM 989 N ARG A 60 3.102 2.319 -9.585 1.00 0.00 N ATOM 990 CA ARG A 60 2.590 3.596 -9.100 1.00 0.00 C ATOM 991 C ARG A 60 3.725 4.545 -8.733 1.00 0.00 C ATOM 992 O ARG A 60 3.806 5.668 -9.228 1.00 0.00 O ATOM 993 CB ARG A 60 1.691 3.364 -7.881 1.00 0.00 C ATOM 994 CG ARG A 60 0.231 3.703 -8.134 1.00 0.00 C ATOM 995 CD ARG A 60 -0.492 4.070 -6.846 1.00 0.00 C ATOM 996 NE ARG A 60 0.272 5.015 -6.035 1.00 0.00 N ATOM 997 CZ ARG A 60 0.460 6.291 -6.363 1.00 0.00 C ATOM 998 NH1 ARG A 60 -0.061 6.780 -7.479 1.00 0.00 N ATOM 999 NH2 ARG A 60 1.170 7.080 -5.569 1.00 0.00 N ATOM 0 H ARG A 60 3.126 1.584 -8.878 1.00 0.00 H new ATOM 0 HA ARG A 60 2.011 4.056 -9.901 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.766 2.320 -7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.057 3.966 -7.049 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.167 4.533 -8.837 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.265 2.852 -8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.463 4.503 -7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.681 3.166 -6.267 1.00 0.00 H new ATOM 0 HE ARG A 60 0.686 4.677 -5.166 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.610 6.178 -8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.087 7.759 -7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.571 6.709 -4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.315 8.058 -5.819 1.00 0.00 H new ATOM 1013 N LYS A 61 4.585 4.076 -7.847 1.00 0.00 N ATOM 1014 CA LYS A 61 5.724 4.850 -7.364 1.00 0.00 C ATOM 1015 C LYS A 61 6.456 5.582 -8.477 1.00 0.00 C ATOM 1016 O LYS A 61 7.123 6.581 -8.231 1.00 0.00 O ATOM 1017 CB LYS A 61 6.701 3.938 -6.625 1.00 0.00 C ATOM 1018 CG LYS A 61 6.924 4.340 -5.180 1.00 0.00 C ATOM 1019 CD LYS A 61 8.262 3.838 -4.664 1.00 0.00 C ATOM 1020 CE LYS A 61 9.317 4.932 -4.692 1.00 0.00 C ATOM 1021 NZ LYS A 61 8.848 6.174 -4.017 1.00 0.00 N ATOM 0 H LYS A 61 4.516 3.144 -7.438 1.00 0.00 H new ATOM 0 HA LYS A 61 5.326 5.605 -6.687 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.326 2.915 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.658 3.943 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.883 5.426 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.121 3.940 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.145 3.470 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.594 2.996 -5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.224 4.574 -4.204 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.579 5.157 -5.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.667 6.700 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.333 6.767 -4.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.216 5.924 -3.230 1.00 0.00 H new ATOM 1035 N ARG A 62 6.370 5.064 -9.685 1.00 0.00 N ATOM 1036 CA ARG A 62 7.036 5.617 -10.865 1.00 0.00 C ATOM 1037 C ARG A 62 6.955 7.127 -11.063 1.00 0.00 C ATOM 1038 O ARG A 62 7.549 7.627 -12.019 1.00 0.00 O ATOM 1039 CB ARG A 62 6.519 4.923 -12.130 1.00 0.00 C ATOM 1040 CG ARG A 62 6.626 3.408 -12.084 1.00 0.00 C ATOM 1041 CD ARG A 62 6.345 2.782 -13.440 1.00 0.00 C ATOM 1042 NE ARG A 62 7.310 3.207 -14.452 1.00 0.00 N ATOM 1043 CZ ARG A 62 8.027 2.373 -15.204 1.00 0.00 C ATOM 1044 NH1 ARG A 62 7.894 1.057 -15.072 1.00 0.00 N ATOM 1045 NH2 ARG A 62 8.880 2.856 -16.096 1.00 0.00 N ATOM 0 H ARG A 62 5.824 4.227 -9.887 1.00 0.00 H new ATOM 0 HA ARG A 62 8.091 5.418 -10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.476 5.200 -12.285 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.078 5.292 -12.990 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.625 3.124 -11.752 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.922 3.016 -11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.370 1.696 -13.350 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.339 3.052 -13.762 1.00 0.00 H new ATOM 0 HE ARG A 62 7.443 4.209 -14.592 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.238 0.677 -14.390 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.448 0.428 -15.653 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.987 3.864 -16.206 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.430 2.219 -16.673 1.00 0.00 H new ATOM 1059 N ARG A 63 6.252 7.879 -10.231 1.00 0.00 N ATOM 1060 CA ARG A 63 6.169 9.324 -10.431 1.00 0.00 C ATOM 1061 C ARG A 63 7.024 10.075 -9.402 1.00 0.00 C ATOM 1062 O ARG A 63 7.198 11.290 -9.505 1.00 0.00 O ATOM 1063 CB ARG A 63 4.698 9.756 -10.317 1.00 0.00 C ATOM 1064 CG ARG A 63 4.474 11.260 -10.257 1.00 0.00 C ATOM 1065 CD ARG A 63 3.135 11.597 -9.621 1.00 0.00 C ATOM 1066 NE ARG A 63 2.054 10.750 -10.122 1.00 0.00 N ATOM 1067 CZ ARG A 63 1.427 10.955 -11.277 1.00 0.00 C ATOM 1068 NH1 ARG A 63 1.784 11.962 -12.064 1.00 0.00 N ATOM 1069 NH2 ARG A 63 0.442 10.148 -11.648 1.00 0.00 N ATOM 0 H ARG A 63 5.738 7.525 -9.424 1.00 0.00 H new ATOM 0 HA ARG A 63 6.554 9.569 -11.421 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.150 9.356 -11.170 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.270 9.304 -9.422 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.277 11.726 -9.686 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.515 11.676 -11.264 1.00 0.00 H new ATOM 0 HD2 ARG A 63 3.210 11.484 -8.539 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.895 12.642 -9.817 1.00 0.00 H new ATOM 0 HE ARG A 63 1.764 9.955 -9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.543 12.584 -11.784 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.300 12.114 -12.949 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.166 9.371 -11.048 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.039 10.304 -12.534 1.00 0.00 H new ATOM 1083 N LEU A 64 7.525 9.351 -8.393 1.00 0.00 N ATOM 1084 CA LEU A 64 8.330 9.948 -7.316 1.00 0.00 C ATOM 1085 C LEU A 64 9.092 11.207 -7.735 1.00 0.00 C ATOM 1086 O LEU A 64 9.602 11.310 -8.848 1.00 0.00 O ATOM 1087 CB LEU A 64 9.298 8.924 -6.687 1.00 0.00 C ATOM 1088 CG LEU A 64 10.254 8.160 -7.624 1.00 0.00 C ATOM 1089 CD1 LEU A 64 9.761 6.740 -7.847 1.00 0.00 C ATOM 1090 CD2 LEU A 64 10.446 8.870 -8.955 1.00 0.00 C ATOM 0 H LEU A 64 7.387 8.345 -8.299 1.00 0.00 H new ATOM 0 HA LEU A 64 7.604 10.258 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 64 9.904 9.448 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.701 8.189 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 64 11.226 8.127 -7.132 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.449 6.216 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 64 9.711 6.218 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.769 6.766 -8.299 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.128 8.293 -9.580 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.484 8.965 -9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.864 9.861 -8.781 1.00 0.00 H new ATOM 1102 N LYS A 65 9.158 12.157 -6.799 1.00 0.00 N ATOM 1103 CA LYS A 65 9.853 13.437 -6.983 1.00 0.00 C ATOM 1104 C LYS A 65 9.828 13.938 -8.428 1.00 0.00 C ATOM 1105 O LYS A 65 10.477 13.373 -9.307 1.00 0.00 O ATOM 1106 CB LYS A 65 11.300 13.311 -6.508 1.00 0.00 C ATOM 1107 CG LYS A 65 11.431 13.128 -5.005 1.00 0.00 C ATOM 1108 CD LYS A 65 11.305 11.666 -4.606 1.00 0.00 C ATOM 1109 CE LYS A 65 12.401 10.820 -5.237 1.00 0.00 C ATOM 1110 NZ LYS A 65 12.708 9.609 -4.426 1.00 0.00 N ATOM 0 H LYS A 65 8.726 12.059 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 65 9.316 14.174 -6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.767 12.464 -7.011 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.851 14.203 -6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.395 13.514 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.662 13.712 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.355 11.578 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.330 11.287 -4.912 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.094 10.518 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.304 11.420 -5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.460 9.061 -4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.025 9.897 -3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.854 9.022 -4.341 1.00 0.00 H new ATOM 1124 N GLY A 66 9.095 15.025 -8.660 1.00 0.00 N ATOM 1125 CA GLY A 66 9.026 15.598 -9.991 1.00 0.00 C ATOM 1126 C GLY A 66 10.390 16.047 -10.485 1.00 0.00 C ATOM 1127 O GLY A 66 10.602 16.206 -11.686 1.00 0.00 O ATOM 0 H GLY A 66 8.550 15.516 -7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.613 14.863 -10.682 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.344 16.448 -9.985 1.00 0.00 H new ATOM 1131 N SER A 67 11.315 16.248 -9.548 1.00 0.00 N ATOM 1132 CA SER A 67 12.670 16.676 -9.878 1.00 0.00 C ATOM 1133 C SER A 67 13.691 15.717 -9.270 1.00 0.00 C ATOM 1134 O SER A 67 13.333 14.639 -8.794 1.00 0.00 O ATOM 1135 CB SER A 67 12.916 18.099 -9.367 1.00 0.00 C ATOM 1136 OG SER A 67 12.020 19.017 -9.969 1.00 0.00 O ATOM 0 H SER A 67 11.148 16.120 -8.550 1.00 0.00 H new ATOM 0 HA SER A 67 12.783 16.667 -10.962 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.797 18.126 -8.284 1.00 0.00 H new ATOM 0 HB3 SER A 67 13.943 18.394 -9.582 1.00 0.00 H new ATOM 0 HG SER A 67 12.195 19.918 -9.626 1.00 0.00 H new ATOM 1142 N ASN A 68 14.962 16.107 -9.288 1.00 0.00 N ATOM 1143 CA ASN A 68 16.024 15.272 -8.737 1.00 0.00 C ATOM 1144 C ASN A 68 16.555 15.854 -7.430 1.00 0.00 C ATOM 1145 O ASN A 68 17.754 15.791 -7.153 1.00 0.00 O ATOM 1146 CB ASN A 68 17.165 15.128 -9.746 1.00 0.00 C ATOM 1147 CG ASN A 68 18.092 13.977 -9.409 1.00 0.00 C ATOM 1148 OD1 ASN A 68 17.642 12.894 -9.028 1.00 0.00 O ATOM 1149 ND2 ASN A 68 19.393 14.202 -9.550 1.00 0.00 N ATOM 0 H ASN A 68 15.281 16.994 -9.677 1.00 0.00 H new ATOM 0 HA ASN A 68 15.605 14.287 -8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.749 14.976 -10.742 1.00 0.00 H new ATOM 0 HB3 ASN A 68 17.738 16.055 -9.778 1.00 0.00 H new ATOM 0 HD21 ASN A 68 20.064 13.463 -9.340 1.00 0.00 H new ATOM 0 HD22 ASN A 68 19.721 15.114 -9.868 1.00 0.00 H new ATOM 1156 N SER A 69 15.657 16.419 -6.630 1.00 0.00 N ATOM 1157 CA SER A 69 16.036 17.012 -5.351 1.00 0.00 C ATOM 1158 C SER A 69 15.800 16.032 -4.207 1.00 0.00 C ATOM 1159 O SER A 69 14.902 15.174 -4.339 1.00 0.00 O ATOM 1160 CB SER A 69 15.245 18.297 -5.106 1.00 0.00 C ATOM 1161 OG SER A 69 15.430 18.765 -3.780 1.00 0.00 O ATOM 1162 OXT SER A 69 16.516 16.129 -3.189 1.00 0.00 O ATOM 0 H SER A 69 14.662 16.479 -6.844 1.00 0.00 H new ATOM 0 HA SER A 69 17.099 17.250 -5.390 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.562 19.063 -5.813 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.185 18.116 -5.287 1.00 0.00 H new ATOM 0 HG SER A 69 14.915 19.588 -3.649 1.00 0.00 H new TER 1168 SER A 69