USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 533 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: 1 68 ASN :FLIP amide:sc= -0.372 F(o=-10,f=-5.8) USER MOD Set 1.2: 1 83 HIS :FLIP no HE2:sc= -5.44! C(o=-12!,f=-5.8!) USER MOD Single : 1 7 ASN : amide:sc= -2.59 X(o=-2.6,f=-2.9) USER MOD Single : 1 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 12 GLN : amide:sc= -1.46 K(o=-1.5,f=-9.8!) USER MOD Single : 1 20 SER OG : rot 180:sc= 0 USER MOD Single : 1 23 ASN :FLIP amide:sc= 0.864 F(o=-0.2,f=0.86) USER MOD Single : 1 25 GLN : amide:sc= -0.0209 K(o=-0.021,f=-0.83) USER MOD Single : 1 30 ASN :FLIP amide:sc= -0.651 F(o=-5!,f=-0.65) USER MOD Single : 1 33 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 37 THR OG1 : rot 172:sc= -0.807 USER MOD Single : 1 40 SER OG : rot 36:sc= 0.298 USER MOD Single : 1 41 GLN :FLIP amide:sc= -0.171 F(o=-0.83,f=-0.17) USER MOD Single : 1 43 ASN : amide:sc= -2.2 K(o=-2.2,f=-5.2!) USER MOD Single : 1 44 TYR OH : rot 180:sc= 0 USER MOD Single : 1 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : 1 54 LYS NZ :NH3+ 176:sc= -1.23 (180deg=-1.26) USER MOD Single : 1 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 58 THR OG1 : rot 97:sc= 1.21 USER MOD Single : 1 71 TYR OH : rot 180:sc= 0 USER MOD Single : 1 73 THR OG1 : rot 180:sc= 0 USER MOD Single : 1 75 LYS NZ :NH3+ -124:sc= -0.191 (180deg=-1.18) USER MOD Single : 1 76 SER OG : rot 40:sc= 1.19 USER MOD Single : 1 77 SER OG : rot 180:sc= 0 USER MOD Single : 1 82 ASN : amide:sc= -0.419 X(o=-0.42,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO 1 3 15.078 0.487 -8.407 1.00 0.00 N ATOM 29 CA PRO 1 3 14.609 1.494 -7.462 1.00 0.00 C ATOM 30 C PRO 1 3 15.011 2.903 -7.875 1.00 0.00 C ATOM 31 O PRO 1 3 16.035 3.420 -7.429 1.00 0.00 O ATOM 32 CB PRO 1 3 15.315 1.096 -6.169 1.00 0.00 C ATOM 33 CG PRO 1 3 16.605 0.502 -6.617 1.00 0.00 C ATOM 34 CD PRO 1 3 16.346 -0.123 -7.966 1.00 0.00 C ATOM 0 HA PRO 1 3 13.522 1.521 -7.387 1.00 0.00 H new ATOM 0 HB2 PRO 1 3 15.478 1.959 -5.524 1.00 0.00 H new ATOM 0 HB3 PRO 1 3 14.725 0.379 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO 1 3 17.380 1.265 -6.686 1.00 0.00 H new ATOM 0 HG3 PRO 1 3 16.956 -0.245 -5.905 1.00 0.00 H new ATOM 0 HD2 PRO 1 3 17.155 0.089 -8.665 1.00 0.00 H new ATOM 0 HD3 PRO 1 3 16.263 -1.207 -7.894 1.00 0.00 H new ATOM 42 N VAL 1 4 14.198 3.527 -8.722 1.00 0.00 N ATOM 43 CA VAL 1 4 14.474 4.883 -9.180 1.00 0.00 C ATOM 44 C VAL 1 4 13.345 5.834 -8.807 1.00 0.00 C ATOM 45 O VAL 1 4 12.232 5.723 -9.321 1.00 0.00 O ATOM 46 CB VAL 1 4 14.700 4.937 -10.705 1.00 0.00 C ATOM 47 CG1 VAL 1 4 16.181 4.823 -11.028 1.00 0.00 C ATOM 48 CG2 VAL 1 4 13.911 3.842 -11.407 1.00 0.00 C ATOM 0 H VAL 1 4 13.346 3.116 -9.104 1.00 0.00 H new ATOM 0 HA VAL 1 4 15.389 5.199 -8.679 1.00 0.00 H new ATOM 0 HB VAL 1 4 14.341 5.899 -11.070 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 16.322 4.863 -12.108 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 16.720 5.647 -10.561 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 16.565 3.877 -10.647 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 14.086 3.899 -12.481 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 14.233 2.868 -11.039 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 12.848 3.973 -11.205 1.00 0.00 H new ATOM 58 N CYS 1 5 13.643 6.784 -7.926 1.00 0.00 N ATOM 59 CA CYS 1 5 12.653 7.767 -7.510 1.00 0.00 C ATOM 60 C CYS 1 5 12.565 8.854 -8.570 1.00 0.00 C ATOM 61 O CYS 1 5 13.475 9.670 -8.716 1.00 0.00 O ATOM 62 CB CYS 1 5 13.026 8.374 -6.155 1.00 0.00 C ATOM 63 SG CYS 1 5 11.811 8.059 -4.835 1.00 0.00 S ATOM 0 H CYS 1 5 14.558 6.893 -7.489 1.00 0.00 H new ATOM 0 HA CYS 1 5 11.684 7.279 -7.401 1.00 0.00 H new ATOM 0 HB2 CYS 1 5 13.993 7.977 -5.846 1.00 0.00 H new ATOM 0 HB3 CYS 1 5 13.147 9.451 -6.273 1.00 0.00 H new ATOM 68 N GLY 1 6 11.484 8.831 -9.333 1.00 0.00 N ATOM 69 CA GLY 1 6 11.316 9.788 -10.404 1.00 0.00 C ATOM 70 C GLY 1 6 11.431 9.108 -11.751 1.00 0.00 C ATOM 71 O GLY 1 6 11.848 9.715 -12.738 1.00 0.00 O ATOM 0 H GLY 1 6 10.719 8.165 -9.229 1.00 0.00 H new ATOM 0 HA2 GLY 1 6 10.343 10.272 -10.317 1.00 0.00 H new ATOM 0 HA3 GLY 1 6 12.070 10.571 -10.321 1.00 0.00 H new ATOM 75 N ASN 1 7 11.058 7.833 -11.776 1.00 0.00 N ATOM 76 CA ASN 1 7 11.107 7.025 -12.984 1.00 0.00 C ATOM 77 C ASN 1 7 9.751 6.379 -13.235 1.00 0.00 C ATOM 78 O ASN 1 7 9.587 5.587 -14.163 1.00 0.00 O ATOM 79 CB ASN 1 7 12.179 5.941 -12.840 1.00 0.00 C ATOM 80 CG ASN 1 7 13.528 6.389 -13.366 1.00 0.00 C ATOM 81 OD1 ASN 1 7 14.033 7.447 -12.991 1.00 0.00 O ATOM 82 ND2 ASN 1 7 14.120 5.583 -14.240 1.00 0.00 N ATOM 0 H ASN 1 7 10.713 7.332 -10.957 1.00 0.00 H new ATOM 0 HA ASN 1 7 11.356 7.666 -13.829 1.00 0.00 H new ATOM 0 HB2 ASN 1 7 12.275 5.666 -11.790 1.00 0.00 H new ATOM 0 HB3 ASN 1 7 11.862 5.047 -13.376 1.00 0.00 H new ATOM 0 HD21 ASN 1 7 15.030 5.832 -14.628 1.00 0.00 H new ATOM 0 HD22 ASN 1 7 13.665 4.715 -14.523 1.00 0.00 H new ATOM 89 N LYS 1 8 8.784 6.721 -12.386 1.00 0.00 N ATOM 90 CA LYS 1 8 7.438 6.181 -12.486 1.00 0.00 C ATOM 91 C LYS 1 8 7.386 4.750 -11.960 1.00 0.00 C ATOM 92 O LYS 1 8 6.432 4.018 -12.224 1.00 0.00 O ATOM 93 CB LYS 1 8 6.934 6.232 -13.931 1.00 0.00 C ATOM 94 CG LYS 1 8 5.418 6.257 -14.046 1.00 0.00 C ATOM 95 CD LYS 1 8 4.958 5.834 -15.431 1.00 0.00 C ATOM 96 CE LYS 1 8 3.769 6.657 -15.898 1.00 0.00 C ATOM 97 NZ LYS 1 8 4.184 7.783 -16.780 1.00 0.00 N ATOM 0 H LYS 1 8 8.914 7.376 -11.615 1.00 0.00 H new ATOM 0 HA LYS 1 8 6.785 6.800 -11.871 1.00 0.00 H new ATOM 0 HB2 LYS 1 8 7.342 7.118 -14.418 1.00 0.00 H new ATOM 0 HB3 LYS 1 8 7.317 5.366 -14.471 1.00 0.00 H new ATOM 0 HG2 LYS 1 8 4.984 5.593 -13.299 1.00 0.00 H new ATOM 0 HG3 LYS 1 8 5.052 7.261 -13.831 1.00 0.00 H new ATOM 0 HD2 LYS 1 8 5.780 5.946 -16.138 1.00 0.00 H new ATOM 0 HD3 LYS 1 8 4.689 4.778 -15.419 1.00 0.00 H new ATOM 0 HE2 LYS 1 8 3.071 6.014 -16.434 1.00 0.00 H new ATOM 0 HE3 LYS 1 8 3.238 7.051 -15.032 1.00 0.00 H new ATOM 0 HZ1 LYS 1 8 3.344 8.319 -17.077 1.00 0.00 H new ATOM 0 HZ2 LYS 1 8 4.830 8.411 -16.261 1.00 0.00 H new ATOM 0 HZ3 LYS 1 8 4.668 7.406 -17.620 1.00 0.00 H new ATOM 111 N ILE 1 9 8.414 4.357 -11.209 1.00 0.00 N ATOM 112 CA ILE 1 9 8.475 3.017 -10.645 1.00 0.00 C ATOM 113 C ILE 1 9 8.520 3.074 -9.129 1.00 0.00 C ATOM 114 O ILE 1 9 9.521 3.496 -8.552 1.00 0.00 O ATOM 115 CB ILE 1 9 9.715 2.229 -11.130 1.00 0.00 C ATOM 116 CG1 ILE 1 9 10.528 3.045 -12.138 1.00 0.00 C ATOM 117 CG2 ILE 1 9 9.300 0.894 -11.727 1.00 0.00 C ATOM 118 CD1 ILE 1 9 11.746 2.314 -12.657 1.00 0.00 C ATOM 0 H ILE 1 9 9.212 4.949 -10.980 1.00 0.00 H new ATOM 0 HA ILE 1 9 7.575 2.505 -10.985 1.00 0.00 H new ATOM 0 HB ILE 1 9 10.351 2.037 -10.266 1.00 0.00 H new ATOM 0 HG12 ILE 1 9 9.888 3.312 -12.979 1.00 0.00 H new ATOM 0 HG13 ILE 1 9 10.845 3.977 -11.669 1.00 0.00 H new ATOM 0 HG21 ILE 1 9 10.186 0.354 -12.062 1.00 0.00 H new ATOM 0 HG22 ILE 1 9 8.780 0.304 -10.972 1.00 0.00 H new ATOM 0 HG23 ILE 1 9 8.637 1.065 -12.575 1.00 0.00 H new ATOM 0 HD11 ILE 1 9 12.276 2.949 -13.367 1.00 0.00 H new ATOM 0 HD12 ILE 1 9 12.406 2.070 -11.825 1.00 0.00 H new ATOM 0 HD13 ILE 1 9 11.435 1.395 -13.154 1.00 0.00 H new ATOM 130 N LEU 1 10 7.450 2.631 -8.484 1.00 0.00 N ATOM 131 CA LEU 1 10 7.408 2.618 -7.030 1.00 0.00 C ATOM 132 C LEU 1 10 8.356 1.545 -6.512 1.00 0.00 C ATOM 133 O LEU 1 10 7.933 0.558 -5.910 1.00 0.00 O ATOM 134 CB LEU 1 10 5.985 2.359 -6.527 1.00 0.00 C ATOM 135 CG LEU 1 10 5.193 1.317 -7.320 1.00 0.00 C ATOM 136 CD1 LEU 1 10 4.487 0.351 -6.380 1.00 0.00 C ATOM 137 CD2 LEU 1 10 4.190 1.998 -8.240 1.00 0.00 C ATOM 0 H LEU 1 10 6.608 2.279 -8.939 1.00 0.00 H new ATOM 0 HA LEU 1 10 7.721 3.593 -6.657 1.00 0.00 H new ATOM 0 HB2 LEU 1 10 6.037 2.038 -5.487 1.00 0.00 H new ATOM 0 HB3 LEU 1 10 5.434 3.300 -6.543 1.00 0.00 H new ATOM 0 HG LEU 1 10 5.892 0.748 -7.933 1.00 0.00 H new ATOM 0 HD11 LEU 1 10 3.929 -0.382 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU 1 10 5.225 -0.162 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU 1 10 3.800 0.904 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU 1 10 3.635 1.242 -8.796 1.00 0.00 H new ATOM 0 HD22 LEU 1 10 3.497 2.593 -7.646 1.00 0.00 H new ATOM 0 HD23 LEU 1 10 4.719 2.647 -8.938 1.00 0.00 H new ATOM 149 N GLU 1 11 9.646 1.741 -6.770 1.00 0.00 N ATOM 150 CA GLU 1 11 10.664 0.790 -6.354 1.00 0.00 C ATOM 151 C GLU 1 11 11.673 1.452 -5.430 1.00 0.00 C ATOM 152 O GLU 1 11 12.079 0.866 -4.426 1.00 0.00 O ATOM 153 CB GLU 1 11 11.370 0.202 -7.577 1.00 0.00 C ATOM 154 CG GLU 1 11 12.418 -0.842 -7.231 1.00 0.00 C ATOM 155 CD GLU 1 11 11.837 -2.023 -6.478 1.00 0.00 C ATOM 156 OE1 GLU 1 11 11.517 -1.864 -5.281 1.00 0.00 O ATOM 157 OE2 GLU 1 11 11.703 -3.106 -7.085 1.00 0.00 O ATOM 0 H GLU 1 11 10.009 2.554 -7.267 1.00 0.00 H new ATOM 0 HA GLU 1 11 10.177 -0.017 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU 1 11 10.626 -0.247 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU 1 11 11.844 1.009 -8.136 1.00 0.00 H new ATOM 0 HG2 GLU 1 11 12.889 -1.196 -8.148 1.00 0.00 H new ATOM 0 HG3 GLU 1 11 13.200 -0.381 -6.628 1.00 0.00 H new ATOM 164 N GLN 1 12 12.077 2.675 -5.767 1.00 0.00 N ATOM 165 CA GLN 1 12 13.040 3.408 -4.945 1.00 0.00 C ATOM 166 C GLN 1 12 12.432 3.811 -3.595 1.00 0.00 C ATOM 167 O GLN 1 12 12.390 4.993 -3.251 1.00 0.00 O ATOM 168 CB GLN 1 12 13.536 4.652 -5.685 1.00 0.00 C ATOM 169 CG GLN 1 12 14.626 5.407 -4.940 1.00 0.00 C ATOM 170 CD GLN 1 12 15.881 5.594 -5.770 1.00 0.00 C ATOM 171 OE1 GLN 1 12 15.915 6.410 -6.691 1.00 0.00 O ATOM 172 NE2 GLN 1 12 16.923 4.837 -5.446 1.00 0.00 N ATOM 0 H GLN 1 12 11.757 3.176 -6.595 1.00 0.00 H new ATOM 0 HA GLN 1 12 13.883 2.744 -4.754 1.00 0.00 H new ATOM 0 HB2 GLN 1 12 13.914 4.356 -6.664 1.00 0.00 H new ATOM 0 HB3 GLN 1 12 12.694 5.322 -5.858 1.00 0.00 H new ATOM 0 HG2 GLN 1 12 14.245 6.383 -4.639 1.00 0.00 H new ATOM 0 HG3 GLN 1 12 14.877 4.867 -4.027 1.00 0.00 H new ATOM 0 HE21 GLN 1 12 16.851 4.173 -4.675 1.00 0.00 H new ATOM 0 HE22 GLN 1 12 17.795 4.919 -5.968 1.00 0.00 H new ATOM 181 N GLY 1 13 11.975 2.817 -2.833 1.00 0.00 N ATOM 182 CA GLY 1 13 11.386 3.061 -1.522 1.00 0.00 C ATOM 183 C GLY 1 13 10.487 4.286 -1.461 1.00 0.00 C ATOM 184 O GLY 1 13 10.527 5.035 -0.485 1.00 0.00 O ATOM 0 H GLY 1 13 12.003 1.834 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY 1 13 10.808 2.185 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY 1 13 12.187 3.175 -0.792 1.00 0.00 H new ATOM 188 N GLU 1 14 9.672 4.495 -2.491 1.00 0.00 N ATOM 189 CA GLU 1 14 8.769 5.643 -2.514 1.00 0.00 C ATOM 190 C GLU 1 14 7.363 5.263 -2.053 1.00 0.00 C ATOM 191 O GLU 1 14 6.751 5.969 -1.251 1.00 0.00 O ATOM 192 CB GLU 1 14 8.706 6.266 -3.912 1.00 0.00 C ATOM 193 CG GLU 1 14 8.482 5.265 -5.032 1.00 0.00 C ATOM 194 CD GLU 1 14 9.667 5.171 -5.967 1.00 0.00 C ATOM 195 OE1 GLU 1 14 10.748 4.766 -5.504 1.00 0.00 O ATOM 196 OE2 GLU 1 14 9.516 5.504 -7.160 1.00 0.00 O ATOM 0 H GLU 1 14 9.617 3.893 -3.312 1.00 0.00 H new ATOM 0 HA GLU 1 14 9.171 6.378 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU 1 14 7.903 7.003 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU 1 14 9.636 6.802 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU 1 14 8.282 4.283 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU 1 14 7.597 5.551 -5.600 1.00 0.00 H new ATOM 203 N ASP 1 15 6.847 4.155 -2.576 1.00 0.00 N ATOM 204 CA ASP 1 15 5.502 3.697 -2.231 1.00 0.00 C ATOM 205 C ASP 1 15 4.446 4.600 -2.871 1.00 0.00 C ATOM 206 O ASP 1 15 3.261 4.511 -2.549 1.00 0.00 O ATOM 207 CB ASP 1 15 5.315 3.667 -0.711 1.00 0.00 C ATOM 208 CG ASP 1 15 4.282 2.645 -0.277 1.00 0.00 C ATOM 209 OD1 ASP 1 15 4.526 1.436 -0.469 1.00 0.00 O ATOM 210 OD2 ASP 1 15 3.229 3.055 0.255 1.00 0.00 O ATOM 0 H ASP 1 15 7.338 3.557 -3.240 1.00 0.00 H new ATOM 0 HA ASP 1 15 5.379 2.685 -2.618 1.00 0.00 H new ATOM 0 HB2 ASP 1 15 6.269 3.441 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP 1 15 5.012 4.655 -0.365 1.00 0.00 H new ATOM 215 N CYS 1 16 4.892 5.466 -3.782 1.00 0.00 N ATOM 216 CA CYS 1 16 4.011 6.395 -4.486 1.00 0.00 C ATOM 217 C CYS 1 16 4.836 7.478 -5.167 1.00 0.00 C ATOM 218 O CYS 1 16 4.985 8.582 -4.645 1.00 0.00 O ATOM 219 CB CYS 1 16 2.999 7.033 -3.532 1.00 0.00 C ATOM 220 SG CYS 1 16 1.307 6.369 -3.670 1.00 0.00 S ATOM 0 H CYS 1 16 5.873 5.542 -4.051 1.00 0.00 H new ATOM 0 HA CYS 1 16 3.458 5.832 -5.238 1.00 0.00 H new ATOM 0 HB2 CYS 1 16 3.347 6.896 -2.508 1.00 0.00 H new ATOM 0 HB3 CYS 1 16 2.971 8.107 -3.718 1.00 0.00 H new ATOM 225 N ASP 1 17 5.380 7.147 -6.331 1.00 0.00 N ATOM 226 CA ASP 1 17 6.202 8.084 -7.081 1.00 0.00 C ATOM 227 C ASP 1 17 5.734 8.193 -8.528 1.00 0.00 C ATOM 228 O ASP 1 17 5.030 7.322 -9.037 1.00 0.00 O ATOM 229 CB ASP 1 17 7.666 7.640 -7.038 1.00 0.00 C ATOM 230 CG ASP 1 17 8.569 8.510 -7.893 1.00 0.00 C ATOM 231 OD1 ASP 1 17 8.772 9.689 -7.536 1.00 0.00 O ATOM 232 OD2 ASP 1 17 9.073 8.010 -8.921 1.00 0.00 O ATOM 0 H ASP 1 17 5.266 6.236 -6.775 1.00 0.00 H new ATOM 0 HA ASP 1 17 6.106 9.067 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 8.018 7.662 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 7.738 6.606 -7.377 1.00 0.00 H new ATOM 237 N CYS 1 18 6.147 9.270 -9.181 1.00 0.00 N ATOM 238 CA CYS 1 18 5.796 9.514 -10.573 1.00 0.00 C ATOM 239 C CYS 1 18 7.053 9.758 -11.401 1.00 0.00 C ATOM 240 O CYS 1 18 8.036 10.308 -10.903 1.00 0.00 O ATOM 241 CB CYS 1 18 4.868 10.724 -10.687 1.00 0.00 C ATOM 242 SG CYS 1 18 3.188 10.451 -10.038 1.00 0.00 S ATOM 0 H CYS 1 18 6.731 9.995 -8.764 1.00 0.00 H new ATOM 0 HA CYS 1 18 5.280 8.632 -10.954 1.00 0.00 H new ATOM 0 HB2 CYS 1 18 5.318 11.562 -10.155 1.00 0.00 H new ATOM 0 HB3 CYS 1 18 4.796 11.014 -11.735 1.00 0.00 H new ATOM 247 N GLY 1 19 7.020 9.357 -12.666 1.00 0.00 N ATOM 248 CA GLY 1 19 8.168 9.556 -13.533 1.00 0.00 C ATOM 249 C GLY 1 19 8.666 10.989 -13.499 1.00 0.00 C ATOM 250 O GLY 1 19 9.856 11.238 -13.309 1.00 0.00 O ATOM 0 H GLY 1 19 6.222 8.899 -13.107 1.00 0.00 H new ATOM 0 HA2 GLY 1 19 8.972 8.886 -13.229 1.00 0.00 H new ATOM 0 HA3 GLY 1 19 7.900 9.290 -14.555 1.00 0.00 H new ATOM 254 N SER 1 20 7.746 11.933 -13.676 1.00 0.00 N ATOM 255 CA SER 1 20 8.085 13.350 -13.657 1.00 0.00 C ATOM 256 C SER 1 20 7.026 14.149 -12.895 1.00 0.00 C ATOM 257 O SER 1 20 5.834 14.026 -13.171 1.00 0.00 O ATOM 258 CB SER 1 20 8.215 13.885 -15.084 1.00 0.00 C ATOM 259 OG SER 1 20 8.759 12.903 -15.949 1.00 0.00 O ATOM 0 H SER 1 20 6.757 11.740 -13.835 1.00 0.00 H new ATOM 0 HA SER 1 20 9.041 13.464 -13.147 1.00 0.00 H new ATOM 0 HB2 SER 1 20 7.236 14.195 -15.450 1.00 0.00 H new ATOM 0 HB3 SER 1 20 8.851 14.770 -15.087 1.00 0.00 H new ATOM 0 HG SER 1 20 8.831 13.269 -16.855 1.00 0.00 H new ATOM 265 N PRO 1 21 7.443 14.982 -11.922 1.00 0.00 N ATOM 266 CA PRO 1 21 6.516 15.795 -11.129 1.00 0.00 C ATOM 267 C PRO 1 21 5.467 16.498 -11.988 1.00 0.00 C ATOM 268 O PRO 1 21 4.361 16.780 -11.527 1.00 0.00 O ATOM 269 CB PRO 1 21 7.433 16.820 -10.464 1.00 0.00 C ATOM 270 CG PRO 1 21 8.742 16.122 -10.333 1.00 0.00 C ATOM 271 CD PRO 1 21 8.847 15.195 -11.515 1.00 0.00 C ATOM 0 HA PRO 1 21 5.943 15.189 -10.427 1.00 0.00 H new ATOM 0 HB2 PRO 1 21 7.523 17.722 -11.069 1.00 0.00 H new ATOM 0 HB3 PRO 1 21 7.047 17.125 -9.491 1.00 0.00 H new ATOM 0 HG2 PRO 1 21 9.565 16.837 -10.325 1.00 0.00 H new ATOM 0 HG3 PRO 1 21 8.794 15.566 -9.397 1.00 0.00 H new ATOM 0 HD2 PRO 1 21 9.434 15.638 -12.320 1.00 0.00 H new ATOM 0 HD3 PRO 1 21 9.332 14.257 -11.246 1.00 0.00 H new ATOM 279 N ALA 1 22 5.821 16.777 -13.239 1.00 0.00 N ATOM 280 CA ALA 1 22 4.910 17.445 -14.160 1.00 0.00 C ATOM 281 C ALA 1 22 3.997 16.439 -14.852 1.00 0.00 C ATOM 282 O ALA 1 22 2.875 16.766 -15.238 1.00 0.00 O ATOM 283 CB ALA 1 22 5.694 18.245 -15.189 1.00 0.00 C ATOM 0 H ALA 1 22 6.732 16.551 -13.637 1.00 0.00 H new ATOM 0 HA ALA 1 22 4.285 18.128 -13.585 1.00 0.00 H new ATOM 0 HB1 ALA 1 22 5.001 18.739 -15.871 1.00 0.00 H new ATOM 0 HB2 ALA 1 22 6.300 18.995 -14.682 1.00 0.00 H new ATOM 0 HB3 ALA 1 22 6.343 17.575 -15.753 1.00 0.00 H new ATOM 289 N ASN 1 23 4.485 15.212 -15.001 1.00 0.00 N ATOM 290 CA ASN 1 23 3.713 14.154 -15.641 1.00 0.00 C ATOM 291 C ASN 1 23 3.233 13.135 -14.611 1.00 0.00 C ATOM 292 O ASN 1 23 2.935 11.989 -14.948 1.00 0.00 O ATOM 293 CB ASN 1 23 4.553 13.457 -16.713 1.00 0.00 C ATOM 294 CG ASN 1 23 3.704 12.883 -17.830 1.00 0.00 C ATOM 295 OD1 ASN 1 23 4.143 13.080 -19.068 1.00 0.00 O flip ATOM 296 ND2 ASN 1 23 2.666 12.268 -17.584 1.00 0.00 N flip ATOM 0 H ASN 1 23 5.412 14.926 -14.687 1.00 0.00 H new ATOM 0 HA ASN 1 23 2.841 14.607 -16.112 1.00 0.00 H new ATOM 0 HB2 ASN 1 23 5.266 14.168 -17.131 1.00 0.00 H new ATOM 0 HB3 ASN 1 23 5.133 12.657 -16.253 1.00 0.00 H new ATOM 0 HD21 ASN 1 23 2.366 12.140 -16.618 1.00 0.00 H new ATOM 0 HD22 ASN 1 23 2.106 11.887 -18.347 1.00 0.00 H new ATOM 303 N CYS 1 24 3.164 13.562 -13.354 1.00 0.00 N ATOM 304 CA CYS 1 24 2.726 12.693 -12.273 1.00 0.00 C ATOM 305 C CYS 1 24 1.249 12.355 -12.411 1.00 0.00 C ATOM 306 O CYS 1 24 0.391 13.008 -11.818 1.00 0.00 O ATOM 307 CB CYS 1 24 2.990 13.355 -10.921 1.00 0.00 C ATOM 308 SG CYS 1 24 2.578 12.309 -9.486 1.00 0.00 S ATOM 0 H CYS 1 24 3.407 14.508 -13.061 1.00 0.00 H new ATOM 0 HA CYS 1 24 3.296 11.766 -12.331 1.00 0.00 H new ATOM 0 HB2 CYS 1 24 4.042 13.633 -10.864 1.00 0.00 H new ATOM 0 HB3 CYS 1 24 2.413 14.278 -10.862 1.00 0.00 H new ATOM 313 N GLN 1 25 0.963 11.326 -13.198 1.00 0.00 N ATOM 314 CA GLN 1 25 -0.410 10.889 -13.421 1.00 0.00 C ATOM 315 C GLN 1 25 -0.879 9.955 -12.306 1.00 0.00 C ATOM 316 O GLN 1 25 -1.458 8.900 -12.568 1.00 0.00 O ATOM 317 CB GLN 1 25 -0.528 10.186 -14.775 1.00 0.00 C ATOM 318 CG GLN 1 25 0.371 8.968 -14.909 1.00 0.00 C ATOM 319 CD GLN 1 25 -0.085 8.024 -16.004 1.00 0.00 C ATOM 320 OE1 GLN 1 25 -0.929 8.374 -16.829 1.00 0.00 O ATOM 321 NE2 GLN 1 25 0.471 6.818 -16.016 1.00 0.00 N ATOM 0 H GLN 1 25 1.665 10.777 -13.694 1.00 0.00 H new ATOM 0 HA GLN 1 25 -1.049 11.772 -13.418 1.00 0.00 H new ATOM 0 HB2 GLN 1 25 -1.563 9.881 -14.928 1.00 0.00 H new ATOM 0 HB3 GLN 1 25 -0.285 10.896 -15.566 1.00 0.00 H new ATOM 0 HG2 GLN 1 25 1.390 9.294 -15.117 1.00 0.00 H new ATOM 0 HG3 GLN 1 25 0.395 8.433 -13.960 1.00 0.00 H new ATOM 0 HE21 GLN 1 25 1.167 6.570 -15.313 1.00 0.00 H new ATOM 0 HE22 GLN 1 25 0.202 6.140 -16.729 1.00 0.00 H new ATOM 330 N ASP 1 26 -0.632 10.352 -11.061 1.00 0.00 N ATOM 331 CA ASP 1 26 -1.033 9.559 -9.907 1.00 0.00 C ATOM 332 C ASP 1 26 -1.543 10.466 -8.794 1.00 0.00 C ATOM 333 O ASP 1 26 -0.763 11.007 -8.011 1.00 0.00 O ATOM 334 CB ASP 1 26 0.142 8.719 -9.402 1.00 0.00 C ATOM 335 CG ASP 1 26 0.777 7.893 -10.503 1.00 0.00 C ATOM 336 OD1 ASP 1 26 0.029 7.328 -11.329 1.00 0.00 O ATOM 337 OD2 ASP 1 26 2.023 7.811 -10.541 1.00 0.00 O ATOM 0 H ASP 1 26 -0.154 11.222 -10.827 1.00 0.00 H new ATOM 0 HA ASP 1 26 -1.837 8.889 -10.211 1.00 0.00 H new ATOM 0 HB2 ASP 1 26 0.894 9.376 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP 1 26 -0.203 8.057 -8.608 1.00 0.00 H new ATOM 342 N ARG 1 27 -2.858 10.635 -8.735 1.00 0.00 N ATOM 343 CA ARG 1 27 -3.476 11.483 -7.725 1.00 0.00 C ATOM 344 C ARG 1 27 -3.226 10.944 -6.318 1.00 0.00 C ATOM 345 O ARG 1 27 -3.323 11.682 -5.337 1.00 0.00 O ATOM 346 CB ARG 1 27 -4.978 11.596 -7.985 1.00 0.00 C ATOM 347 CG ARG 1 27 -5.674 12.621 -7.105 1.00 0.00 C ATOM 348 CD ARG 1 27 -5.668 14.000 -7.745 1.00 0.00 C ATOM 349 NE ARG 1 27 -6.389 14.017 -9.015 1.00 0.00 N ATOM 350 CZ ARG 1 27 -6.604 15.119 -9.731 1.00 0.00 C ATOM 351 NH1 ARG 1 27 -6.156 16.293 -9.305 1.00 0.00 N ATOM 352 NH2 ARG 1 27 -7.269 15.046 -10.876 1.00 0.00 N ATOM 0 H ARG 1 27 -3.518 10.195 -9.376 1.00 0.00 H new ATOM 0 HA ARG 1 27 -3.023 12.472 -7.791 1.00 0.00 H new ATOM 0 HB2 ARG 1 27 -5.138 11.859 -9.031 1.00 0.00 H new ATOM 0 HB3 ARG 1 27 -5.440 10.621 -7.827 1.00 0.00 H new ATOM 0 HG2 ARG 1 27 -6.702 12.308 -6.923 1.00 0.00 H new ATOM 0 HG3 ARG 1 27 -5.178 12.666 -6.135 1.00 0.00 H new ATOM 0 HD2 ARG 1 27 -6.120 14.719 -7.062 1.00 0.00 H new ATOM 0 HD3 ARG 1 27 -4.639 14.319 -7.908 1.00 0.00 H new ATOM 0 HE ARG 1 27 -6.749 13.133 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG 1 27 -5.644 16.355 -8.425 1.00 0.00 H new ATOM 0 HH12 ARG 1 27 -6.324 17.134 -9.858 1.00 0.00 H new ATOM 0 HH21 ARG 1 27 -7.616 14.146 -11.208 1.00 0.00 H new ATOM 0 HH22 ARG 1 27 -7.434 15.890 -11.425 1.00 0.00 H new ATOM 366 N CYS 1 28 -2.905 9.658 -6.224 1.00 0.00 N ATOM 367 CA CYS 1 28 -2.642 9.031 -4.933 1.00 0.00 C ATOM 368 C CYS 1 28 -1.141 8.865 -4.687 1.00 0.00 C ATOM 369 O CYS 1 28 -0.727 8.440 -3.609 1.00 0.00 O ATOM 370 CB CYS 1 28 -3.341 7.672 -4.853 1.00 0.00 C ATOM 371 SG CYS 1 28 -5.156 7.778 -4.715 1.00 0.00 S ATOM 0 H CYS 1 28 -2.821 9.031 -7.024 1.00 0.00 H new ATOM 0 HA CYS 1 28 -3.039 9.686 -4.157 1.00 0.00 H new ATOM 0 HB2 CYS 1 28 -3.088 7.092 -5.740 1.00 0.00 H new ATOM 0 HB3 CYS 1 28 -2.953 7.125 -3.993 1.00 0.00 H new ATOM 376 N CYS 1 29 -0.329 9.202 -5.689 1.00 0.00 N ATOM 377 CA CYS 1 29 1.122 9.086 -5.571 1.00 0.00 C ATOM 378 C CYS 1 29 1.815 10.329 -6.125 1.00 0.00 C ATOM 379 O CYS 1 29 1.562 10.736 -7.258 1.00 0.00 O ATOM 380 CB CYS 1 29 1.615 7.845 -6.314 1.00 0.00 C ATOM 381 SG CYS 1 29 0.954 6.274 -5.669 1.00 0.00 S ATOM 0 H CYS 1 29 -0.652 9.557 -6.589 1.00 0.00 H new ATOM 0 HA CYS 1 29 1.369 8.994 -4.513 1.00 0.00 H new ATOM 0 HB2 CYS 1 29 1.345 7.935 -7.366 1.00 0.00 H new ATOM 0 HB3 CYS 1 29 2.704 7.815 -6.265 1.00 0.00 H new ATOM 386 N ASN 1 30 2.686 10.932 -5.319 1.00 0.00 N ATOM 387 CA ASN 1 30 3.407 12.132 -5.737 1.00 0.00 C ATOM 388 C ASN 1 30 4.901 11.861 -5.900 1.00 0.00 C ATOM 389 O ASN 1 30 5.538 11.261 -5.027 1.00 0.00 O ATOM 390 CB ASN 1 30 3.186 13.261 -4.726 1.00 0.00 C ATOM 391 CG ASN 1 30 3.974 14.512 -5.066 1.00 0.00 C ATOM 392 OD1 ASN 1 30 4.637 15.084 -4.067 1.00 0.00 O flip ATOM 393 ND2 ASN 1 30 3.987 14.960 -6.213 1.00 0.00 N flip ATOM 0 H ASN 1 30 2.909 10.611 -4.377 1.00 0.00 H new ATOM 0 HA ASN 1 30 3.013 12.434 -6.707 1.00 0.00 H new ATOM 0 HB2 ASN 1 30 2.124 13.505 -4.686 1.00 0.00 H new ATOM 0 HB3 ASN 1 30 3.472 12.915 -3.733 1.00 0.00 H new ATOM 0 HD21 ASN 1 30 3.463 14.489 -6.951 1.00 0.00 H new ATOM 0 HD22 ASN 1 30 4.522 15.802 -6.425 1.00 0.00 H new ATOM 400 N ALA 1 31 5.448 12.324 -7.025 1.00 0.00 N ATOM 401 CA ALA 1 31 6.867 12.159 -7.325 1.00 0.00 C ATOM 402 C ALA 1 31 7.709 13.098 -6.474 1.00 0.00 C ATOM 403 O ALA 1 31 8.744 12.711 -5.931 1.00 0.00 O ATOM 404 CB ALA 1 31 7.129 12.430 -8.799 1.00 0.00 C ATOM 0 H ALA 1 31 4.924 12.819 -7.746 1.00 0.00 H new ATOM 0 HA ALA 1 31 7.146 11.131 -7.094 1.00 0.00 H new ATOM 0 HB1 ALA 1 31 8.191 12.303 -9.009 1.00 0.00 H new ATOM 0 HB2 ALA 1 31 6.553 11.731 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA 1 31 6.831 13.450 -9.040 1.00 0.00 H new ATOM 410 N ALA 1 32 7.251 14.341 -6.367 1.00 0.00 N ATOM 411 CA ALA 1 32 7.949 15.358 -5.587 1.00 0.00 C ATOM 412 C ALA 1 32 8.216 14.887 -4.160 1.00 0.00 C ATOM 413 O ALA 1 32 9.074 15.436 -3.468 1.00 0.00 O ATOM 414 CB ALA 1 32 7.141 16.647 -5.572 1.00 0.00 C ATOM 0 H ALA 1 32 6.395 14.670 -6.813 1.00 0.00 H new ATOM 0 HA ALA 1 32 8.913 15.541 -6.061 1.00 0.00 H new ATOM 0 HB1 ALA 1 32 7.669 17.401 -4.988 1.00 0.00 H new ATOM 0 HB2 ALA 1 32 7.009 17.006 -6.593 1.00 0.00 H new ATOM 0 HB3 ALA 1 32 6.165 16.459 -5.125 1.00 0.00 H new ATOM 420 N THR 1 33 7.479 13.872 -3.722 1.00 0.00 N ATOM 421 CA THR 1 33 7.640 13.336 -2.379 1.00 0.00 C ATOM 422 C THR 1 33 8.031 11.868 -2.425 1.00 0.00 C ATOM 423 O THR 1 33 8.594 11.335 -1.469 1.00 0.00 O ATOM 424 CB THR 1 33 6.336 13.490 -1.591 1.00 0.00 C ATOM 425 OG1 THR 1 33 6.550 13.236 -0.214 1.00 0.00 O ATOM 426 CG2 THR 1 33 5.235 12.558 -2.064 1.00 0.00 C ATOM 0 H THR 1 33 6.764 13.405 -4.280 1.00 0.00 H new ATOM 0 HA THR 1 33 8.434 13.896 -1.885 1.00 0.00 H new ATOM 0 HB THR 1 33 6.017 14.519 -1.759 1.00 0.00 H new ATOM 0 HG1 THR 1 33 5.706 13.341 0.273 1.00 0.00 H new ATOM 0 HG21 THR 1 33 4.339 12.719 -1.464 1.00 0.00 H new ATOM 0 HG22 THR 1 33 5.011 12.761 -3.111 1.00 0.00 H new ATOM 0 HG23 THR 1 33 5.563 11.524 -1.957 1.00 0.00 H new ATOM 434 N CYS 1 34 7.699 11.208 -3.529 1.00 0.00 N ATOM 435 CA CYS 1 34 7.985 9.795 -3.677 1.00 0.00 C ATOM 436 C CYS 1 34 7.212 9.024 -2.618 1.00 0.00 C ATOM 437 O CYS 1 34 7.717 8.072 -2.028 1.00 0.00 O ATOM 438 CB CYS 1 34 9.487 9.522 -3.542 1.00 0.00 C ATOM 439 SG CYS 1 34 10.388 9.479 -5.126 1.00 0.00 S ATOM 0 H CYS 1 34 7.232 11.632 -4.331 1.00 0.00 H new ATOM 0 HA CYS 1 34 7.677 9.470 -4.671 1.00 0.00 H new ATOM 0 HB2 CYS 1 34 9.928 10.291 -2.907 1.00 0.00 H new ATOM 0 HB3 CYS 1 34 9.627 8.569 -3.032 1.00 0.00 H new ATOM 444 N LYS 1 35 5.980 9.467 -2.375 1.00 0.00 N ATOM 445 CA LYS 1 35 5.122 8.840 -1.372 1.00 0.00 C ATOM 446 C LYS 1 35 3.654 9.162 -1.629 1.00 0.00 C ATOM 447 O LYS 1 35 3.326 9.981 -2.487 1.00 0.00 O ATOM 448 CB LYS 1 35 5.509 9.310 0.033 1.00 0.00 C ATOM 449 CG LYS 1 35 6.983 9.134 0.357 1.00 0.00 C ATOM 450 CD LYS 1 35 7.274 9.448 1.816 1.00 0.00 C ATOM 451 CE LYS 1 35 7.337 10.946 2.061 1.00 0.00 C ATOM 452 NZ LYS 1 35 7.920 11.267 3.393 1.00 0.00 N ATOM 0 H LYS 1 35 5.554 10.257 -2.859 1.00 0.00 H new ATOM 0 HA LYS 1 35 5.262 7.761 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS 1 35 5.247 10.363 0.138 1.00 0.00 H new ATOM 0 HB3 LYS 1 35 4.918 8.760 0.765 1.00 0.00 H new ATOM 0 HG2 LYS 1 35 7.285 8.110 0.137 1.00 0.00 H new ATOM 0 HG3 LYS 1 35 7.578 9.786 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS 1 35 6.501 9.008 2.445 1.00 0.00 H new ATOM 0 HD3 LYS 1 35 8.220 8.991 2.106 1.00 0.00 H new ATOM 0 HE2 LYS 1 35 7.935 11.417 1.280 1.00 0.00 H new ATOM 0 HE3 LYS 1 35 6.334 11.368 1.993 1.00 0.00 H new ATOM 0 HZ1 LYS 1 35 7.945 12.299 3.521 1.00 0.00 H new ATOM 0 HZ2 LYS 1 35 7.336 10.839 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS 1 35 8.887 10.887 3.450 1.00 0.00 H new ATOM 466 N LEU 1 36 2.774 8.505 -0.878 1.00 0.00 N ATOM 467 CA LEU 1 36 1.337 8.711 -1.018 1.00 0.00 C ATOM 468 C LEU 1 36 0.968 10.179 -0.828 1.00 0.00 C ATOM 469 O LEU 1 36 1.562 10.878 -0.007 1.00 0.00 O ATOM 470 CB LEU 1 36 0.577 7.851 -0.005 1.00 0.00 C ATOM 471 CG LEU 1 36 0.600 6.343 -0.278 1.00 0.00 C ATOM 472 CD1 LEU 1 36 0.944 5.575 0.989 1.00 0.00 C ATOM 473 CD2 LEU 1 36 -0.738 5.882 -0.836 1.00 0.00 C ATOM 0 H LEU 1 36 3.033 7.824 -0.164 1.00 0.00 H new ATOM 0 HA LEU 1 36 1.054 8.414 -2.028 1.00 0.00 H new ATOM 0 HB2 LEU 1 36 0.995 8.031 0.985 1.00 0.00 H new ATOM 0 HB3 LEU 1 36 -0.461 8.183 0.022 1.00 0.00 H new ATOM 0 HG LEU 1 36 1.371 6.140 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU 1 36 0.955 4.506 0.775 1.00 0.00 H new ATOM 0 HD12 LEU 1 36 1.926 5.884 1.346 1.00 0.00 H new ATOM 0 HD13 LEU 1 36 0.197 5.784 1.755 1.00 0.00 H new ATOM 0 HD21 LEU 1 36 -0.704 4.809 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU 1 36 -1.527 6.099 -0.116 1.00 0.00 H new ATOM 0 HD23 LEU 1 36 -0.944 6.407 -1.769 1.00 0.00 H new ATOM 485 N THR 1 37 -0.019 10.637 -1.591 1.00 0.00 N ATOM 486 CA THR 1 37 -0.475 12.019 -1.508 1.00 0.00 C ATOM 487 C THR 1 37 -1.523 12.176 -0.408 1.00 0.00 C ATOM 488 O THR 1 37 -2.066 11.188 0.086 1.00 0.00 O ATOM 489 CB THR 1 37 -1.059 12.466 -2.850 1.00 0.00 C ATOM 490 OG1 THR 1 37 -1.505 11.350 -3.598 1.00 0.00 O ATOM 491 CG2 THR 1 37 -0.073 13.228 -3.708 1.00 0.00 C ATOM 0 H THR 1 37 -0.519 10.069 -2.275 1.00 0.00 H new ATOM 0 HA THR 1 37 0.382 12.647 -1.265 1.00 0.00 H new ATOM 0 HB THR 1 37 -1.886 13.130 -2.598 1.00 0.00 H new ATOM 0 HG1 THR 1 37 -1.991 11.660 -4.391 1.00 0.00 H new ATOM 0 HG21 THR 1 37 -0.551 13.515 -4.644 1.00 0.00 H new ATOM 0 HG22 THR 1 37 0.254 14.123 -3.179 1.00 0.00 H new ATOM 0 HG23 THR 1 37 0.789 12.596 -3.920 1.00 0.00 H new ATOM 499 N PRO 1 38 -1.826 13.423 -0.010 1.00 0.00 N ATOM 500 CA PRO 1 38 -2.818 13.696 1.034 1.00 0.00 C ATOM 501 C PRO 1 38 -4.202 13.180 0.656 1.00 0.00 C ATOM 502 O PRO 1 38 -4.804 13.641 -0.313 1.00 0.00 O ATOM 503 CB PRO 1 38 -2.826 15.227 1.143 1.00 0.00 C ATOM 504 CG PRO 1 38 -2.222 15.712 -0.130 1.00 0.00 C ATOM 505 CD PRO 1 38 -1.234 14.661 -0.544 1.00 0.00 C ATOM 0 HA PRO 1 38 -2.569 13.198 1.971 1.00 0.00 H new ATOM 0 HB2 PRO 1 38 -3.840 15.608 1.268 1.00 0.00 H new ATOM 0 HB3 PRO 1 38 -2.250 15.563 2.005 1.00 0.00 H new ATOM 0 HG2 PRO 1 38 -2.985 15.854 -0.895 1.00 0.00 H new ATOM 0 HG3 PRO 1 38 -1.731 16.675 0.013 1.00 0.00 H new ATOM 0 HD2 PRO 1 38 -1.119 14.619 -1.627 1.00 0.00 H new ATOM 0 HD3 PRO 1 38 -0.245 14.849 -0.126 1.00 0.00 H new ATOM 513 N GLY 1 39 -4.699 12.218 1.427 1.00 0.00 N ATOM 514 CA GLY 1 39 -6.007 11.651 1.156 1.00 0.00 C ATOM 515 C GLY 1 39 -5.941 10.169 0.844 1.00 0.00 C ATOM 516 O GLY 1 39 -6.897 9.433 1.089 1.00 0.00 O ATOM 0 H GLY 1 39 -4.219 11.821 2.235 1.00 0.00 H new ATOM 0 HA2 GLY 1 39 -6.654 11.809 2.018 1.00 0.00 H new ATOM 0 HA3 GLY 1 39 -6.461 12.177 0.316 1.00 0.00 H new ATOM 520 N SER 1 40 -4.808 9.730 0.304 1.00 0.00 N ATOM 521 CA SER 1 40 -4.618 8.326 -0.040 1.00 0.00 C ATOM 522 C SER 1 40 -3.501 7.712 0.797 1.00 0.00 C ATOM 523 O SER 1 40 -2.425 8.293 0.933 1.00 0.00 O ATOM 524 CB SER 1 40 -4.294 8.183 -1.528 1.00 0.00 C ATOM 525 OG SER 1 40 -3.834 6.876 -1.828 1.00 0.00 O ATOM 0 H SER 1 40 -4.008 10.327 0.095 1.00 0.00 H new ATOM 0 HA SER 1 40 -5.545 7.794 0.174 1.00 0.00 H new ATOM 0 HB2 SER 1 40 -5.183 8.404 -2.119 1.00 0.00 H new ATOM 0 HB3 SER 1 40 -3.535 8.912 -1.810 1.00 0.00 H new ATOM 0 HG SER 1 40 -4.311 6.226 -1.271 1.00 0.00 H new ATOM 531 N GLN 1 41 -3.766 6.540 1.365 1.00 0.00 N ATOM 532 CA GLN 1 41 -2.782 5.855 2.196 1.00 0.00 C ATOM 533 C GLN 1 41 -2.315 4.551 1.553 1.00 0.00 C ATOM 534 O GLN 1 41 -1.203 4.089 1.806 1.00 0.00 O ATOM 535 CB GLN 1 41 -3.370 5.569 3.578 1.00 0.00 C ATOM 536 CG GLN 1 41 -3.455 6.797 4.470 1.00 0.00 C ATOM 537 CD GLN 1 41 -2.987 6.523 5.886 1.00 0.00 C ATOM 538 OE1 GLN 1 41 -1.818 5.907 6.014 1.00 0.00 O flip ATOM 539 NE2 GLN 1 41 -3.668 6.862 6.854 1.00 0.00 N flip ATOM 0 H GLN 1 41 -4.652 6.045 1.265 1.00 0.00 H new ATOM 0 HA GLN 1 41 -1.917 6.511 2.296 1.00 0.00 H new ATOM 0 HB2 GLN 1 41 -4.368 5.147 3.459 1.00 0.00 H new ATOM 0 HB3 GLN 1 41 -2.761 4.812 4.073 1.00 0.00 H new ATOM 0 HG2 GLN 1 41 -2.851 7.596 4.040 1.00 0.00 H new ATOM 0 HG3 GLN 1 41 -4.485 7.153 4.494 1.00 0.00 H new ATOM 0 HE21 GLN 1 41 -4.561 7.333 6.709 1.00 0.00 H new ATOM 0 HE22 GLN 1 41 -3.339 6.671 7.801 1.00 0.00 H new ATOM 548 N CYS 1 42 -3.174 3.954 0.733 1.00 0.00 N ATOM 549 CA CYS 1 42 -2.848 2.695 0.070 1.00 0.00 C ATOM 550 C CYS 1 42 -3.037 2.786 -1.439 1.00 0.00 C ATOM 551 O CYS 1 42 -4.157 2.712 -1.939 1.00 0.00 O ATOM 552 CB CYS 1 42 -3.711 1.573 0.627 1.00 0.00 C ATOM 553 SG CYS 1 42 -2.830 -0.013 0.761 1.00 0.00 S ATOM 0 H CYS 1 42 -4.100 4.320 0.512 1.00 0.00 H new ATOM 0 HA CYS 1 42 -1.797 2.483 0.265 1.00 0.00 H new ATOM 0 HB2 CYS 1 42 -4.078 1.861 1.612 1.00 0.00 H new ATOM 0 HB3 CYS 1 42 -4.584 1.443 -0.013 1.00 0.00 H new ATOM 558 N ASN 1 43 -1.932 2.935 -2.160 1.00 0.00 N ATOM 559 CA ASN 1 43 -1.973 3.026 -3.615 1.00 0.00 C ATOM 560 C ASN 1 43 -1.829 1.648 -4.259 1.00 0.00 C ATOM 561 O ASN 1 43 -2.097 1.479 -5.449 1.00 0.00 O ATOM 562 CB ASN 1 43 -0.863 3.950 -4.114 1.00 0.00 C ATOM 563 CG ASN 1 43 0.519 3.365 -3.893 1.00 0.00 C ATOM 564 OD1 ASN 1 43 0.888 3.021 -2.770 1.00 0.00 O ATOM 565 ND2 ASN 1 43 1.292 3.250 -4.967 1.00 0.00 N ATOM 0 H ASN 1 43 -0.995 2.995 -1.760 1.00 0.00 H new ATOM 0 HA ASN 1 43 -2.942 3.436 -3.900 1.00 0.00 H new ATOM 0 HB2 ASN 1 43 -1.006 4.145 -5.177 1.00 0.00 H new ATOM 0 HB3 ASN 1 43 -0.935 4.909 -3.602 1.00 0.00 H new ATOM 0 HD21 ASN 1 43 2.232 2.864 -4.880 1.00 0.00 H new ATOM 0 HD22 ASN 1 43 0.946 3.548 -5.879 1.00 0.00 H new ATOM 572 N TYR 1 44 -1.405 0.666 -3.469 1.00 0.00 N ATOM 573 CA TYR 1 44 -1.224 -0.693 -3.965 1.00 0.00 C ATOM 574 C TYR 1 44 -0.939 -1.642 -2.803 1.00 0.00 C ATOM 575 O TYR 1 44 -0.138 -1.335 -1.920 1.00 0.00 O ATOM 576 CB TYR 1 44 -0.097 -0.736 -5.007 1.00 0.00 C ATOM 577 CG TYR 1 44 1.239 -1.173 -4.454 1.00 0.00 C ATOM 578 CD1 TYR 1 44 1.479 -2.506 -4.156 1.00 0.00 C ATOM 579 CD2 TYR 1 44 2.253 -0.254 -4.222 1.00 0.00 C ATOM 580 CE1 TYR 1 44 2.689 -2.915 -3.643 1.00 0.00 C ATOM 581 CE2 TYR 1 44 3.471 -0.654 -3.710 1.00 0.00 C ATOM 582 CZ TYR 1 44 3.685 -1.986 -3.420 1.00 0.00 C ATOM 583 OH TYR 1 44 4.896 -2.390 -2.908 1.00 0.00 O ATOM 0 H TYR 1 44 -1.180 0.787 -2.481 1.00 0.00 H new ATOM 0 HA TYR 1 44 -2.143 -1.019 -4.452 1.00 0.00 H new ATOM 0 HB2 TYR 1 44 -0.385 -1.414 -5.810 1.00 0.00 H new ATOM 0 HB3 TYR 1 44 0.012 0.254 -5.450 1.00 0.00 H new ATOM 0 HD1 TYR 1 44 0.703 -3.236 -4.330 1.00 0.00 H new ATOM 0 HD2 TYR 1 44 2.087 0.789 -4.445 1.00 0.00 H new ATOM 0 HE1 TYR 1 44 2.858 -3.957 -3.416 1.00 0.00 H new ATOM 0 HE2 TYR 1 44 4.252 0.072 -3.537 1.00 0.00 H new ATOM 0 HH TYR 1 44 5.486 -1.614 -2.813 1.00 0.00 H new ATOM 593 N GLY 1 45 -1.618 -2.781 -2.797 1.00 0.00 N ATOM 594 CA GLY 1 45 -1.447 -3.745 -1.726 1.00 0.00 C ATOM 595 C GLY 1 45 -2.774 -4.306 -1.240 1.00 0.00 C ATOM 596 O GLY 1 45 -3.839 -3.797 -1.590 1.00 0.00 O ATOM 0 H GLY 1 45 -2.286 -3.056 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY 1 45 -0.814 -4.562 -2.073 1.00 0.00 H new ATOM 0 HA3 GLY 1 45 -0.928 -3.271 -0.893 1.00 0.00 H new ATOM 600 N GLU 1 46 -2.704 -5.363 -0.440 1.00 0.00 N ATOM 601 CA GLU 1 46 -3.897 -6.021 0.090 1.00 0.00 C ATOM 602 C GLU 1 46 -4.777 -5.079 0.911 1.00 0.00 C ATOM 603 O GLU 1 46 -5.999 -5.081 0.772 1.00 0.00 O ATOM 604 CB GLU 1 46 -3.479 -7.202 0.965 1.00 0.00 C ATOM 605 CG GLU 1 46 -3.457 -8.532 0.231 1.00 0.00 C ATOM 606 CD GLU 1 46 -2.623 -8.487 -1.035 1.00 0.00 C ATOM 607 OE1 GLU 1 46 -3.165 -8.093 -2.089 1.00 0.00 O ATOM 608 OE2 GLU 1 46 -1.428 -8.845 -0.971 1.00 0.00 O ATOM 0 H GLU 1 46 -1.826 -5.788 -0.141 1.00 0.00 H new ATOM 0 HA GLU 1 46 -4.485 -6.357 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU 1 46 -2.487 -7.007 1.373 1.00 0.00 H new ATOM 0 HB3 GLU 1 46 -4.163 -7.276 1.811 1.00 0.00 H new ATOM 0 HG2 GLU 1 46 -3.063 -9.302 0.894 1.00 0.00 H new ATOM 0 HG3 GLU 1 46 -4.478 -8.820 -0.021 1.00 0.00 H new ATOM 615 N CYS 1 47 -4.154 -4.312 1.794 1.00 0.00 N ATOM 616 CA CYS 1 47 -4.884 -3.402 2.676 1.00 0.00 C ATOM 617 C CYS 1 47 -5.537 -2.233 1.933 1.00 0.00 C ATOM 618 O CYS 1 47 -6.385 -1.542 2.494 1.00 0.00 O ATOM 619 CB CYS 1 47 -3.936 -2.866 3.746 1.00 0.00 C ATOM 620 SG CYS 1 47 -3.863 -3.888 5.247 1.00 0.00 S ATOM 0 H CYS 1 47 -3.142 -4.299 1.922 1.00 0.00 H new ATOM 0 HA CYS 1 47 -5.693 -3.976 3.128 1.00 0.00 H new ATOM 0 HB2 CYS 1 47 -2.934 -2.787 3.323 1.00 0.00 H new ATOM 0 HB3 CYS 1 47 -4.246 -1.858 4.020 1.00 0.00 H new ATOM 625 N CYS 1 48 -5.130 -1.988 0.694 1.00 0.00 N ATOM 626 CA CYS 1 48 -5.677 -0.869 -0.069 1.00 0.00 C ATOM 627 C CYS 1 48 -7.143 -1.053 -0.439 1.00 0.00 C ATOM 628 O CYS 1 48 -7.606 -2.158 -0.721 1.00 0.00 O ATOM 629 CB CYS 1 48 -4.852 -0.634 -1.331 1.00 0.00 C ATOM 630 SG CYS 1 48 -3.072 -0.819 -1.071 1.00 0.00 S ATOM 0 H CYS 1 48 -4.431 -2.541 0.199 1.00 0.00 H new ATOM 0 HA CYS 1 48 -5.621 0.003 0.583 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 -5.174 -1.334 -2.102 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 -5.054 0.369 -1.707 1.00 0.00 H new ATOM 635 N ASP 1 49 -7.852 0.071 -0.439 1.00 0.00 N ATOM 636 CA ASP 1 49 -9.267 0.122 -0.775 1.00 0.00 C ATOM 637 C ASP 1 49 -9.679 1.577 -0.968 1.00 0.00 C ATOM 638 O ASP 1 49 -9.817 2.325 0.000 1.00 0.00 O ATOM 639 CB ASP 1 49 -10.109 -0.522 0.329 1.00 0.00 C ATOM 640 CG ASP 1 49 -11.593 -0.487 0.021 1.00 0.00 C ATOM 641 OD1 ASP 1 49 -12.200 0.597 0.149 1.00 0.00 O ATOM 642 OD2 ASP 1 49 -12.148 -1.544 -0.349 1.00 0.00 O ATOM 0 H ASP 1 49 -7.455 0.980 -0.203 1.00 0.00 H new ATOM 0 HA ASP 1 49 -9.437 -0.435 -1.697 1.00 0.00 H new ATOM 0 HB2 ASP 1 49 -9.794 -1.556 0.466 1.00 0.00 H new ATOM 0 HB3 ASP 1 49 -9.924 -0.005 1.271 1.00 0.00 H new ATOM 647 N GLN 1 50 -9.842 1.985 -2.223 1.00 0.00 N ATOM 648 CA GLN 1 50 -10.204 3.364 -2.532 1.00 0.00 C ATOM 649 C GLN 1 50 -9.045 4.295 -2.187 1.00 0.00 C ATOM 650 O GLN 1 50 -9.248 5.429 -1.752 1.00 0.00 O ATOM 651 CB GLN 1 50 -11.461 3.781 -1.763 1.00 0.00 C ATOM 652 CG GLN 1 50 -12.586 2.761 -1.837 1.00 0.00 C ATOM 653 CD GLN 1 50 -13.694 3.181 -2.783 1.00 0.00 C ATOM 654 OE1 GLN 1 50 -13.766 2.714 -3.920 1.00 0.00 O ATOM 655 NE2 GLN 1 50 -14.564 4.069 -2.317 1.00 0.00 N ATOM 0 H GLN 1 50 -9.730 1.383 -3.039 1.00 0.00 H new ATOM 0 HA GLN 1 50 -10.416 3.435 -3.599 1.00 0.00 H new ATOM 0 HB2 GLN 1 50 -11.199 3.946 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN 1 50 -11.818 4.733 -2.156 1.00 0.00 H new ATOM 0 HG2 GLN 1 50 -12.181 1.802 -2.161 1.00 0.00 H new ATOM 0 HG3 GLN 1 50 -13.002 2.611 -0.841 1.00 0.00 H new ATOM 0 HE21 GLN 1 50 -14.466 4.429 -1.368 1.00 0.00 H new ATOM 0 HE22 GLN 1 50 -15.330 4.391 -2.908 1.00 0.00 H new ATOM 664 N CYS 1 51 -7.827 3.793 -2.382 1.00 0.00 N ATOM 665 CA CYS 1 51 -6.612 4.550 -2.094 1.00 0.00 C ATOM 666 C CYS 1 51 -6.438 4.777 -0.592 1.00 0.00 C ATOM 667 O CYS 1 51 -5.685 5.655 -0.174 1.00 0.00 O ATOM 668 CB CYS 1 51 -6.613 5.891 -2.835 1.00 0.00 C ATOM 669 SG CYS 1 51 -5.742 5.854 -4.435 1.00 0.00 S ATOM 0 H CYS 1 51 -7.656 2.854 -2.742 1.00 0.00 H new ATOM 0 HA CYS 1 51 -5.768 3.957 -2.448 1.00 0.00 H new ATOM 0 HB2 CYS 1 51 -7.644 6.202 -3.002 1.00 0.00 H new ATOM 0 HB3 CYS 1 51 -6.151 6.646 -2.199 1.00 0.00 H new ATOM 674 N ARG 1 52 -7.131 3.977 0.216 1.00 0.00 N ATOM 675 CA ARG 1 52 -7.040 4.094 1.670 1.00 0.00 C ATOM 676 C ARG 1 52 -6.814 2.726 2.307 1.00 0.00 C ATOM 677 O ARG 1 52 -7.261 1.708 1.778 1.00 0.00 O ATOM 678 CB ARG 1 52 -8.312 4.730 2.233 1.00 0.00 C ATOM 679 CG ARG 1 52 -8.072 5.572 3.475 1.00 0.00 C ATOM 680 CD ARG 1 52 -7.706 7.003 3.116 1.00 0.00 C ATOM 681 NE ARG 1 52 -7.482 7.826 4.303 1.00 0.00 N ATOM 682 CZ ARG 1 52 -8.453 8.235 5.115 1.00 0.00 C ATOM 683 NH1 ARG 1 52 -9.715 7.901 4.874 1.00 0.00 N ATOM 684 NH2 ARG 1 52 -8.163 8.980 6.173 1.00 0.00 N ATOM 0 H ARG 1 52 -7.760 3.243 -0.110 1.00 0.00 H new ATOM 0 HA ARG 1 52 -6.190 4.733 1.909 1.00 0.00 H new ATOM 0 HB2 ARG 1 52 -8.768 5.354 1.464 1.00 0.00 H new ATOM 0 HB3 ARG 1 52 -9.028 3.943 2.470 1.00 0.00 H new ATOM 0 HG2 ARG 1 52 -8.968 5.569 4.096 1.00 0.00 H new ATOM 0 HG3 ARG 1 52 -7.272 5.128 4.067 1.00 0.00 H new ATOM 0 HD2 ARG 1 52 -6.807 7.003 2.500 1.00 0.00 H new ATOM 0 HD3 ARG 1 52 -8.504 7.441 2.516 1.00 0.00 H new ATOM 0 HE ARG 1 52 -6.525 8.103 4.522 1.00 0.00 H new ATOM 0 HH11 ARG 1 52 -9.945 7.328 4.062 1.00 0.00 H new ATOM 0 HH12 ARG 1 52 -10.455 8.218 5.501 1.00 0.00 H new ATOM 0 HH21 ARG 1 52 -7.195 9.240 6.364 1.00 0.00 H new ATOM 0 HH22 ARG 1 52 -8.908 9.294 6.796 1.00 0.00 H new ATOM 698 N PHE 1 53 -6.119 2.702 3.442 1.00 0.00 N ATOM 699 CA PHE 1 53 -5.844 1.446 4.132 1.00 0.00 C ATOM 700 C PHE 1 53 -7.120 0.833 4.676 1.00 0.00 C ATOM 701 O PHE 1 53 -8.033 1.539 5.104 1.00 0.00 O ATOM 702 CB PHE 1 53 -4.842 1.644 5.274 1.00 0.00 C ATOM 703 CG PHE 1 53 -3.445 1.913 4.801 1.00 0.00 C ATOM 704 CD1 PHE 1 53 -2.962 1.294 3.663 1.00 0.00 C ATOM 705 CD2 PHE 1 53 -2.616 2.782 5.490 1.00 0.00 C ATOM 706 CE1 PHE 1 53 -1.685 1.533 3.218 1.00 0.00 C ATOM 707 CE2 PHE 1 53 -1.330 3.026 5.049 1.00 0.00 C ATOM 708 CZ PHE 1 53 -0.863 2.400 3.910 1.00 0.00 C ATOM 0 H PHE 1 53 -5.739 3.531 3.900 1.00 0.00 H new ATOM 0 HA PHE 1 53 -5.408 0.766 3.400 1.00 0.00 H new ATOM 0 HB2 PHE 1 53 -5.173 2.475 5.898 1.00 0.00 H new ATOM 0 HB3 PHE 1 53 -4.839 0.754 5.903 1.00 0.00 H new ATOM 0 HD1 PHE 1 53 -3.598 0.613 3.116 1.00 0.00 H new ATOM 0 HD2 PHE 1 53 -2.978 3.274 6.381 1.00 0.00 H new ATOM 0 HE1 PHE 1 53 -1.324 1.043 2.326 1.00 0.00 H new ATOM 0 HE2 PHE 1 53 -0.691 3.705 5.594 1.00 0.00 H new ATOM 0 HZ PHE 1 53 0.142 2.588 3.562 1.00 0.00 H new ATOM 718 N LYS 1 54 -7.171 -0.489 4.660 1.00 0.00 N ATOM 719 CA LYS 1 54 -8.333 -1.207 5.158 1.00 0.00 C ATOM 720 C LYS 1 54 -8.378 -1.150 6.680 1.00 0.00 C ATOM 721 O LYS 1 54 -7.675 -1.899 7.355 1.00 0.00 O ATOM 722 CB LYS 1 54 -8.307 -2.660 4.679 1.00 0.00 C ATOM 723 CG LYS 1 54 -9.348 -2.961 3.614 1.00 0.00 C ATOM 724 CD LYS 1 54 -8.941 -4.143 2.747 1.00 0.00 C ATOM 725 CE LYS 1 54 -8.810 -3.742 1.288 1.00 0.00 C ATOM 726 NZ LYS 1 54 -10.104 -3.858 0.562 1.00 0.00 N ATOM 0 H LYS 1 54 -6.423 -1.086 4.308 1.00 0.00 H new ATOM 0 HA LYS 1 54 -9.231 -0.729 4.766 1.00 0.00 H new ATOM 0 HB2 LYS 1 54 -7.317 -2.887 4.284 1.00 0.00 H new ATOM 0 HB3 LYS 1 54 -8.469 -3.319 5.532 1.00 0.00 H new ATOM 0 HG2 LYS 1 54 -10.305 -3.172 4.090 1.00 0.00 H new ATOM 0 HG3 LYS 1 54 -9.491 -2.081 2.986 1.00 0.00 H new ATOM 0 HD2 LYS 1 54 -7.992 -4.546 3.101 1.00 0.00 H new ATOM 0 HD3 LYS 1 54 -9.681 -4.938 2.842 1.00 0.00 H new ATOM 0 HE2 LYS 1 54 -8.449 -2.715 1.225 1.00 0.00 H new ATOM 0 HE3 LYS 1 54 -8.064 -4.373 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS 1 54 -9.988 -3.511 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS 1 54 -10.403 -4.854 0.542 1.00 0.00 H new ATOM 0 HZ3 LYS 1 54 -10.827 -3.290 1.048 1.00 0.00 H new ATOM 740 N LYS 1 55 -9.205 -0.246 7.208 1.00 0.00 N ATOM 741 CA LYS 1 55 -9.352 -0.064 8.655 1.00 0.00 C ATOM 742 C LYS 1 55 -9.005 -1.334 9.425 1.00 0.00 C ATOM 743 O LYS 1 55 -9.491 -2.422 9.104 1.00 0.00 O ATOM 744 CB LYS 1 55 -10.781 0.369 8.989 1.00 0.00 C ATOM 745 CG LYS 1 55 -10.985 0.717 10.454 1.00 0.00 C ATOM 746 CD LYS 1 55 -12.433 1.076 10.745 1.00 0.00 C ATOM 747 CE LYS 1 55 -13.192 -0.102 11.333 1.00 0.00 C ATOM 748 NZ LYS 1 55 -12.900 -0.284 12.782 1.00 0.00 N ATOM 0 H LYS 1 55 -9.789 0.377 6.650 1.00 0.00 H new ATOM 0 HA LYS 1 55 -8.652 0.714 8.960 1.00 0.00 H new ATOM 0 HB2 LYS 1 55 -11.041 1.234 8.379 1.00 0.00 H new ATOM 0 HB3 LYS 1 55 -11.468 -0.432 8.716 1.00 0.00 H new ATOM 0 HG2 LYS 1 55 -10.687 -0.128 11.075 1.00 0.00 H new ATOM 0 HG3 LYS 1 55 -10.340 1.554 10.723 1.00 0.00 H new ATOM 0 HD2 LYS 1 55 -12.468 1.916 11.439 1.00 0.00 H new ATOM 0 HD3 LYS 1 55 -12.920 1.402 9.826 1.00 0.00 H new ATOM 0 HE2 LYS 1 55 -14.262 0.051 11.195 1.00 0.00 H new ATOM 0 HE3 LYS 1 55 -12.927 -1.011 10.792 1.00 0.00 H new ATOM 0 HZ1 LYS 1 55 -13.437 -1.097 13.145 1.00 0.00 H new ATOM 0 HZ2 LYS 1 55 -11.882 -0.455 12.912 1.00 0.00 H new ATOM 0 HZ3 LYS 1 55 -13.176 0.573 13.302 1.00 0.00 H new ATOM 762 N ALA 1 56 -8.151 -1.191 10.437 1.00 0.00 N ATOM 763 CA ALA 1 56 -7.733 -2.328 11.246 1.00 0.00 C ATOM 764 C ALA 1 56 -8.920 -3.212 11.589 1.00 0.00 C ATOM 765 O ALA 1 56 -9.944 -2.734 12.078 1.00 0.00 O ATOM 766 CB ALA 1 56 -7.046 -1.866 12.517 1.00 0.00 C ATOM 0 H ALA 1 56 -7.738 -0.301 10.714 1.00 0.00 H new ATOM 0 HA ALA 1 56 -7.022 -2.909 10.659 1.00 0.00 H new ATOM 0 HB1 ALA 1 56 -6.744 -2.734 13.103 1.00 0.00 H new ATOM 0 HB2 ALA 1 56 -6.166 -1.276 12.261 1.00 0.00 H new ATOM 0 HB3 ALA 1 56 -7.734 -1.255 13.101 1.00 0.00 H new ATOM 772 N GLY 1 57 -8.784 -4.496 11.312 1.00 0.00 N ATOM 773 CA GLY 1 57 -9.866 -5.421 11.578 1.00 0.00 C ATOM 774 C GLY 1 57 -10.449 -5.981 10.298 1.00 0.00 C ATOM 775 O GLY 1 57 -11.300 -6.870 10.330 1.00 0.00 O ATOM 0 H GLY 1 57 -7.947 -4.916 10.909 1.00 0.00 H new ATOM 0 HA2 GLY 1 57 -9.502 -6.238 12.200 1.00 0.00 H new ATOM 0 HA3 GLY 1 57 -10.648 -4.914 12.143 1.00 0.00 H new ATOM 779 N THR 1 58 -9.978 -5.465 9.164 1.00 0.00 N ATOM 780 CA THR 1 58 -10.440 -5.926 7.864 1.00 0.00 C ATOM 781 C THR 1 58 -9.698 -7.193 7.456 1.00 0.00 C ATOM 782 O THR 1 58 -8.529 -7.138 7.074 1.00 0.00 O ATOM 783 CB THR 1 58 -10.216 -4.841 6.811 1.00 0.00 C ATOM 784 OG1 THR 1 58 -10.883 -3.644 7.170 1.00 0.00 O ATOM 785 CG2 THR 1 58 -10.697 -5.242 5.437 1.00 0.00 C ATOM 0 H THR 1 58 -9.276 -4.726 9.123 1.00 0.00 H new ATOM 0 HA THR 1 58 -11.505 -6.145 7.935 1.00 0.00 H new ATOM 0 HB THR 1 58 -9.137 -4.691 6.774 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -10.252 -3.037 7.609 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -10.510 -4.430 4.735 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -10.163 -6.134 5.111 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -11.766 -5.452 5.473 1.00 0.00 H new ATOM 793 N VAL 1 59 -10.375 -8.333 7.533 1.00 0.00 N ATOM 794 CA VAL 1 59 -9.757 -9.599 7.164 1.00 0.00 C ATOM 795 C VAL 1 59 -9.435 -9.624 5.677 1.00 0.00 C ATOM 796 O VAL 1 59 -10.332 -9.575 4.836 1.00 0.00 O ATOM 797 CB VAL 1 59 -10.661 -10.805 7.501 1.00 0.00 C ATOM 798 CG1 VAL 1 59 -12.028 -10.647 6.853 1.00 0.00 C ATOM 799 CG2 VAL 1 59 -10.004 -12.109 7.064 1.00 0.00 C ATOM 0 H VAL 1 59 -11.343 -8.406 7.845 1.00 0.00 H new ATOM 0 HA VAL 1 59 -8.839 -9.682 7.746 1.00 0.00 H new ATOM 0 HB VAL 1 59 -10.798 -10.839 8.582 1.00 0.00 H new ATOM 0 HG11 VAL 1 59 -12.650 -11.507 7.102 1.00 0.00 H new ATOM 0 HG12 VAL 1 59 -12.502 -9.737 7.221 1.00 0.00 H new ATOM 0 HG13 VAL 1 59 -11.913 -10.584 5.771 1.00 0.00 H new ATOM 0 HG21 VAL 1 59 -10.657 -12.946 7.311 1.00 0.00 H new ATOM 0 HG22 VAL 1 59 -9.833 -12.087 5.988 1.00 0.00 H new ATOM 0 HG23 VAL 1 59 -9.052 -12.228 7.581 1.00 0.00 H new ATOM 809 N CYS 1 60 -8.151 -9.706 5.359 1.00 0.00 N ATOM 810 CA CYS 1 60 -7.716 -9.745 3.966 1.00 0.00 C ATOM 811 C CYS 1 60 -7.276 -11.153 3.585 1.00 0.00 C ATOM 812 O CYS 1 60 -7.337 -11.542 2.418 1.00 0.00 O ATOM 813 CB CYS 1 60 -6.564 -8.762 3.720 1.00 0.00 C ATOM 814 SG CYS 1 60 -6.475 -7.375 4.896 1.00 0.00 S ATOM 0 H CYS 1 60 -7.394 -9.747 6.041 1.00 0.00 H new ATOM 0 HA CYS 1 60 -8.563 -9.452 3.345 1.00 0.00 H new ATOM 0 HB2 CYS 1 60 -5.623 -9.311 3.757 1.00 0.00 H new ATOM 0 HB3 CYS 1 60 -6.659 -8.359 2.712 1.00 0.00 H new ATOM 819 N ARG 1 61 -6.826 -11.910 4.580 1.00 0.00 N ATOM 820 CA ARG 1 61 -6.365 -13.273 4.362 1.00 0.00 C ATOM 821 C ARG 1 61 -6.536 -14.093 5.631 1.00 0.00 C ATOM 822 O ARG 1 61 -7.057 -13.606 6.635 1.00 0.00 O ATOM 823 CB ARG 1 61 -4.896 -13.299 3.911 1.00 0.00 C ATOM 824 CG ARG 1 61 -4.230 -11.932 3.884 1.00 0.00 C ATOM 825 CD ARG 1 61 -2.802 -12.013 3.364 1.00 0.00 C ATOM 826 NE ARG 1 61 -1.822 -12.062 4.448 1.00 0.00 N ATOM 827 CZ ARG 1 61 -0.565 -11.638 4.337 1.00 0.00 C ATOM 828 NH1 ARG 1 61 -0.119 -11.146 3.188 1.00 0.00 N ATOM 829 NH2 ARG 1 61 0.250 -11.713 5.380 1.00 0.00 N ATOM 0 H ARG 1 61 -6.771 -11.599 5.550 1.00 0.00 H new ATOM 0 HA ARG 1 61 -6.970 -13.710 3.568 1.00 0.00 H new ATOM 0 HB2 ARG 1 61 -4.334 -13.952 4.579 1.00 0.00 H new ATOM 0 HB3 ARG 1 61 -4.841 -13.738 2.915 1.00 0.00 H new ATOM 0 HG2 ARG 1 61 -4.809 -11.257 3.254 1.00 0.00 H new ATOM 0 HG3 ARG 1 61 -4.228 -11.508 4.888 1.00 0.00 H new ATOM 0 HD2 ARG 1 61 -2.694 -12.899 2.739 1.00 0.00 H new ATOM 0 HD3 ARG 1 61 -2.598 -11.150 2.731 1.00 0.00 H new ATOM 0 HE ARG 1 61 -2.120 -12.445 5.345 1.00 0.00 H new ATOM 0 HH11 ARG 1 61 -0.741 -11.091 2.381 1.00 0.00 H new ATOM 0 HH12 ARG 1 61 0.846 -10.823 3.112 1.00 0.00 H new ATOM 0 HH21 ARG 1 61 -0.087 -12.095 6.264 1.00 0.00 H new ATOM 0 HH22 ARG 1 61 1.214 -11.389 5.298 1.00 0.00 H new ATOM 843 N ILE 1 62 -6.090 -15.335 5.586 1.00 0.00 N ATOM 844 CA ILE 1 62 -6.177 -16.213 6.735 1.00 0.00 C ATOM 845 C ILE 1 62 -5.475 -17.527 6.453 1.00 0.00 C ATOM 846 O ILE 1 62 -5.620 -18.114 5.381 1.00 0.00 O ATOM 847 CB ILE 1 62 -7.637 -16.470 7.157 1.00 0.00 C ATOM 848 CG1 ILE 1 62 -7.693 -17.254 8.475 1.00 0.00 C ATOM 849 CG2 ILE 1 62 -8.405 -17.188 6.057 1.00 0.00 C ATOM 850 CD1 ILE 1 62 -7.286 -18.706 8.353 1.00 0.00 C ATOM 0 H ILE 1 62 -5.663 -15.758 4.762 1.00 0.00 H new ATOM 0 HA ILE 1 62 -5.678 -15.711 7.564 1.00 0.00 H new ATOM 0 HB ILE 1 62 -8.117 -15.505 7.320 1.00 0.00 H new ATOM 0 HG12 ILE 1 62 -7.044 -16.767 9.202 1.00 0.00 H new ATOM 0 HG13 ILE 1 62 -8.708 -17.205 8.871 1.00 0.00 H new ATOM 0 HG21 ILE 1 62 -9.432 -17.357 6.381 1.00 0.00 H new ATOM 0 HG22 ILE 1 62 -8.405 -16.577 5.155 1.00 0.00 H new ATOM 0 HG23 ILE 1 62 -7.929 -18.146 5.846 1.00 0.00 H new ATOM 0 HD11 ILE 1 62 -7.354 -19.186 9.329 1.00 0.00 H new ATOM 0 HD12 ILE 1 62 -7.950 -19.212 7.653 1.00 0.00 H new ATOM 0 HD13 ILE 1 62 -6.260 -18.767 7.989 1.00 0.00 H new ATOM 862 N ALA 1 63 -4.703 -17.971 7.428 1.00 0.00 N ATOM 863 CA ALA 1 63 -3.949 -19.212 7.313 1.00 0.00 C ATOM 864 C ALA 1 63 -4.810 -20.346 6.764 1.00 0.00 C ATOM 865 O ALA 1 63 -4.789 -20.622 5.565 1.00 0.00 O ATOM 866 CB ALA 1 63 -3.351 -19.591 8.653 1.00 0.00 C ATOM 0 H ALA 1 63 -4.579 -17.487 8.317 1.00 0.00 H new ATOM 0 HA ALA 1 63 -3.139 -19.046 6.602 1.00 0.00 H new ATOM 0 HB1 ALA 1 63 -2.791 -20.520 8.552 1.00 0.00 H new ATOM 0 HB2 ALA 1 63 -2.682 -18.799 8.990 1.00 0.00 H new ATOM 0 HB3 ALA 1 63 -4.149 -19.727 9.382 1.00 0.00 H new ATOM 872 N ARG 1 64 -5.564 -21.004 7.640 1.00 0.00 N ATOM 873 CA ARG 1 64 -6.419 -22.107 7.209 1.00 0.00 C ATOM 874 C ARG 1 64 -7.492 -22.430 8.243 1.00 0.00 C ATOM 875 O ARG 1 64 -8.658 -22.071 8.079 1.00 0.00 O ATOM 876 CB ARG 1 64 -5.573 -23.352 6.932 1.00 0.00 C ATOM 877 CG ARG 1 64 -4.940 -23.362 5.550 1.00 0.00 C ATOM 878 CD ARG 1 64 -4.551 -24.769 5.127 1.00 0.00 C ATOM 879 NE ARG 1 64 -4.228 -24.843 3.704 1.00 0.00 N ATOM 880 CZ ARG 1 64 -4.016 -25.983 3.050 1.00 0.00 C ATOM 881 NH1 ARG 1 64 -4.091 -27.145 3.687 1.00 0.00 N ATOM 882 NH2 ARG 1 64 -3.728 -25.961 1.756 1.00 0.00 N ATOM 0 H ARG 1 64 -5.601 -20.798 8.638 1.00 0.00 H new ATOM 0 HA ARG 1 64 -6.921 -21.795 6.293 1.00 0.00 H new ATOM 0 HB2 ARG 1 64 -4.786 -23.421 7.683 1.00 0.00 H new ATOM 0 HB3 ARG 1 64 -6.198 -24.238 7.043 1.00 0.00 H new ATOM 0 HG2 ARG 1 64 -5.638 -22.943 4.826 1.00 0.00 H new ATOM 0 HG3 ARG 1 64 -4.057 -22.723 5.548 1.00 0.00 H new ATOM 0 HD2 ARG 1 64 -3.692 -25.099 5.711 1.00 0.00 H new ATOM 0 HD3 ARG 1 64 -5.370 -25.454 5.349 1.00 0.00 H new ATOM 0 HE ARG 1 64 -4.161 -23.970 3.181 1.00 0.00 H new ATOM 0 HH11 ARG 1 64 -4.312 -27.168 4.683 1.00 0.00 H new ATOM 0 HH12 ARG 1 64 -3.928 -28.015 3.181 1.00 0.00 H new ATOM 0 HH21 ARG 1 64 -3.669 -25.071 1.262 1.00 0.00 H new ATOM 0 HH22 ARG 1 64 -3.566 -26.834 1.255 1.00 0.00 H new ATOM 896 N GLY 1 65 -7.089 -23.121 9.301 1.00 0.00 N ATOM 897 CA GLY 1 65 -8.021 -23.500 10.348 1.00 0.00 C ATOM 898 C GLY 1 65 -8.789 -22.324 10.925 1.00 0.00 C ATOM 899 O GLY 1 65 -9.798 -22.514 11.605 1.00 0.00 O ATOM 0 H GLY 1 65 -6.128 -23.428 9.454 1.00 0.00 H new ATOM 0 HA2 GLY 1 65 -8.729 -24.226 9.949 1.00 0.00 H new ATOM 0 HA3 GLY 1 65 -7.474 -23.996 11.150 1.00 0.00 H new ATOM 903 N ASP 1 66 -8.312 -21.109 10.669 1.00 0.00 N ATOM 904 CA ASP 1 66 -8.962 -19.908 11.183 1.00 0.00 C ATOM 905 C ASP 1 66 -8.737 -19.797 12.684 1.00 0.00 C ATOM 906 O ASP 1 66 -9.568 -20.225 13.485 1.00 0.00 O ATOM 907 CB ASP 1 66 -10.461 -19.921 10.873 1.00 0.00 C ATOM 908 CG ASP 1 66 -10.755 -20.351 9.449 1.00 0.00 C ATOM 909 OD1 ASP 1 66 -10.453 -19.574 8.519 1.00 0.00 O ATOM 910 OD2 ASP 1 66 -11.288 -21.466 9.264 1.00 0.00 O ATOM 0 H ASP 1 66 -7.478 -20.931 10.109 1.00 0.00 H new ATOM 0 HA ASP 1 66 -8.521 -19.041 10.690 1.00 0.00 H new ATOM 0 HB2 ASP 1 66 -10.966 -20.595 11.565 1.00 0.00 H new ATOM 0 HB3 ASP 1 66 -10.872 -18.926 11.041 1.00 0.00 H new ATOM 915 N TRP 1 67 -7.595 -19.236 13.051 1.00 0.00 N ATOM 916 CA TRP 1 67 -7.228 -19.079 14.452 1.00 0.00 C ATOM 917 C TRP 1 67 -7.090 -17.610 14.816 1.00 0.00 C ATOM 918 O TRP 1 67 -7.892 -17.061 15.572 1.00 0.00 O ATOM 919 CB TRP 1 67 -5.905 -19.805 14.723 1.00 0.00 C ATOM 920 CG TRP 1 67 -5.273 -20.372 13.489 1.00 0.00 C ATOM 921 CD1 TRP 1 67 -4.595 -19.689 12.520 1.00 0.00 C ATOM 922 CD2 TRP 1 67 -5.277 -21.742 13.084 1.00 0.00 C ATOM 923 NE1 TRP 1 67 -4.171 -20.553 11.547 1.00 0.00 N ATOM 924 CE2 TRP 1 67 -4.578 -21.820 11.868 1.00 0.00 C ATOM 925 CE3 TRP 1 67 -5.801 -22.910 13.638 1.00 0.00 C ATOM 926 CZ2 TRP 1 67 -4.391 -23.022 11.193 1.00 0.00 C ATOM 927 CZ3 TRP 1 67 -5.616 -24.105 12.968 1.00 0.00 C ATOM 928 CH2 TRP 1 67 -4.915 -24.154 11.756 1.00 0.00 C ATOM 0 H TRP 1 67 -6.901 -18.879 12.394 1.00 0.00 H new ATOM 0 HA TRP 1 67 -8.018 -19.513 15.066 1.00 0.00 H new ATOM 0 HB2 TRP 1 67 -5.208 -19.111 15.193 1.00 0.00 H new ATOM 0 HB3 TRP 1 67 -6.081 -20.611 15.435 1.00 0.00 H new ATOM 0 HD1 TRP 1 67 -4.419 -18.623 12.521 1.00 0.00 H new ATOM 0 HE1 TRP 1 67 -3.638 -20.295 10.717 1.00 0.00 H new ATOM 0 HE3 TRP 1 67 -6.341 -22.881 14.573 1.00 0.00 H new ATOM 0 HZ2 TRP 1 67 -3.852 -23.060 10.258 1.00 0.00 H new ATOM 0 HZ3 TRP 1 67 -6.019 -25.016 13.386 1.00 0.00 H new ATOM 0 HH2 TRP 1 67 -4.786 -25.103 11.257 1.00 0.00 H new ATOM 939 N ASN 1 68 -6.061 -16.985 14.270 1.00 0.00 N ATOM 940 CA ASN 1 68 -5.792 -15.576 14.525 1.00 0.00 C ATOM 941 C ASN 1 68 -6.414 -14.698 13.445 1.00 0.00 C ATOM 942 O ASN 1 68 -6.724 -13.532 13.686 1.00 0.00 O ATOM 943 CB ASN 1 68 -4.283 -15.327 14.594 1.00 0.00 C ATOM 944 CG ASN 1 68 -3.544 -16.427 15.333 1.00 0.00 C ATOM 945 OD1 ASN 1 68 -3.224 -17.503 14.623 1.00 0.00 O flip ATOM 946 ND2 ASN 1 68 -3.265 -16.312 16.526 1.00 0.00 N flip ATOM 0 H ASN 1 68 -5.393 -17.433 13.643 1.00 0.00 H new ATOM 0 HA ASN 1 68 -6.241 -15.315 15.483 1.00 0.00 H new ATOM 0 HB2 ASN 1 68 -3.886 -15.243 13.582 1.00 0.00 H new ATOM 0 HB3 ASN 1 68 -4.098 -14.374 15.089 1.00 0.00 H new ATOM 0 HD21 ASN 1 68 -3.530 -15.467 17.033 1.00 0.00 H new ATOM 0 HD22 ASN 1 68 -2.768 -17.061 17.008 1.00 0.00 H new ATOM 953 N ASP 1 69 -6.594 -15.266 12.254 1.00 0.00 N ATOM 954 CA ASP 1 69 -7.179 -14.531 11.138 1.00 0.00 C ATOM 955 C ASP 1 69 -6.301 -13.353 10.748 1.00 0.00 C ATOM 956 O ASP 1 69 -5.885 -12.564 11.596 1.00 0.00 O ATOM 957 CB ASP 1 69 -8.579 -14.037 11.498 1.00 0.00 C ATOM 958 CG ASP 1 69 -9.640 -15.099 11.286 1.00 0.00 C ATOM 959 OD1 ASP 1 69 -9.828 -15.939 12.191 1.00 0.00 O ATOM 960 OD2 ASP 1 69 -10.284 -15.091 10.216 1.00 0.00 O ATOM 0 H ASP 1 69 -6.343 -16.231 12.039 1.00 0.00 H new ATOM 0 HA ASP 1 69 -7.250 -15.210 10.288 1.00 0.00 H new ATOM 0 HB2 ASP 1 69 -8.592 -13.718 12.540 1.00 0.00 H new ATOM 0 HB3 ASP 1 69 -8.819 -13.162 10.894 1.00 0.00 H new ATOM 965 N ASP 1 70 -6.023 -13.240 9.458 1.00 0.00 N ATOM 966 CA ASP 1 70 -5.193 -12.159 8.956 1.00 0.00 C ATOM 967 C ASP 1 70 -6.003 -10.877 8.826 1.00 0.00 C ATOM 968 O ASP 1 70 -6.995 -10.827 8.097 1.00 0.00 O ATOM 969 CB ASP 1 70 -4.585 -12.547 7.611 1.00 0.00 C ATOM 970 CG ASP 1 70 -3.472 -11.617 7.198 1.00 0.00 C ATOM 971 OD1 ASP 1 70 -3.729 -10.400 7.106 1.00 0.00 O ATOM 972 OD2 ASP 1 70 -2.344 -12.102 6.967 1.00 0.00 O ATOM 0 H ASP 1 70 -6.360 -13.883 8.742 1.00 0.00 H new ATOM 0 HA ASP 1 70 -4.386 -11.980 9.667 1.00 0.00 H new ATOM 0 HB2 ASP 1 70 -4.202 -13.566 7.668 1.00 0.00 H new ATOM 0 HB3 ASP 1 70 -5.363 -12.541 6.848 1.00 0.00 H new ATOM 977 N TYR 1 71 -5.591 -9.847 9.560 1.00 0.00 N ATOM 978 CA TYR 1 71 -6.304 -8.578 9.546 1.00 0.00 C ATOM 979 C TYR 1 71 -5.406 -7.389 9.262 1.00 0.00 C ATOM 980 O TYR 1 71 -4.244 -7.352 9.665 1.00 0.00 O ATOM 981 CB TYR 1 71 -6.983 -8.360 10.887 1.00 0.00 C ATOM 982 CG TYR 1 71 -8.230 -9.172 11.055 1.00 0.00 C ATOM 983 CD1 TYR 1 71 -9.398 -8.792 10.427 1.00 0.00 C ATOM 984 CD2 TYR 1 71 -8.239 -10.310 11.839 1.00 0.00 C ATOM 985 CE1 TYR 1 71 -10.555 -9.521 10.572 1.00 0.00 C ATOM 986 CE2 TYR 1 71 -9.387 -11.054 11.992 1.00 0.00 C ATOM 987 CZ TYR 1 71 -10.548 -10.657 11.357 1.00 0.00 C ATOM 988 OH TYR 1 71 -11.700 -11.394 11.508 1.00 0.00 O ATOM 0 H TYR 1 71 -4.772 -9.868 10.168 1.00 0.00 H new ATOM 0 HA TYR 1 71 -7.032 -8.642 8.737 1.00 0.00 H new ATOM 0 HB2 TYR 1 71 -6.284 -8.609 11.686 1.00 0.00 H new ATOM 0 HB3 TYR 1 71 -7.228 -7.303 10.996 1.00 0.00 H new ATOM 0 HD1 TYR 1 71 -9.404 -7.906 9.810 1.00 0.00 H new ATOM 0 HD2 TYR 1 71 -7.333 -10.620 12.338 1.00 0.00 H new ATOM 0 HE1 TYR 1 71 -11.462 -9.208 10.076 1.00 0.00 H new ATOM 0 HE2 TYR 1 71 -9.380 -11.943 12.605 1.00 0.00 H new ATOM 0 HH TYR 1 71 -11.523 -12.162 12.091 1.00 0.00 H new ATOM 998 N CYS 1 72 -5.981 -6.404 8.585 1.00 0.00 N ATOM 999 CA CYS 1 72 -5.278 -5.179 8.254 1.00 0.00 C ATOM 1000 C CYS 1 72 -5.056 -4.353 9.519 1.00 0.00 C ATOM 1001 O CYS 1 72 -5.677 -4.613 10.550 1.00 0.00 O ATOM 1002 CB CYS 1 72 -6.092 -4.381 7.236 1.00 0.00 C ATOM 1003 SG CYS 1 72 -5.191 -2.990 6.483 1.00 0.00 S ATOM 0 H CYS 1 72 -6.945 -6.434 8.252 1.00 0.00 H new ATOM 0 HA CYS 1 72 -4.308 -5.422 7.820 1.00 0.00 H new ATOM 0 HB2 CYS 1 72 -6.424 -5.054 6.446 1.00 0.00 H new ATOM 0 HB3 CYS 1 72 -6.987 -3.997 7.725 1.00 0.00 H new ATOM 1008 N THR 1 73 -4.169 -3.366 9.446 1.00 0.00 N ATOM 1009 CA THR 1 73 -3.879 -2.522 10.601 1.00 0.00 C ATOM 1010 C THR 1 73 -4.160 -1.049 10.305 1.00 0.00 C ATOM 1011 O THR 1 73 -3.761 -0.168 11.067 1.00 0.00 O ATOM 1012 CB THR 1 73 -2.423 -2.703 11.029 1.00 0.00 C ATOM 1013 OG1 THR 1 73 -1.555 -1.975 10.179 1.00 0.00 O ATOM 1014 CG2 THR 1 73 -1.976 -4.149 11.015 1.00 0.00 C ATOM 0 H THR 1 73 -3.641 -3.131 8.605 1.00 0.00 H new ATOM 0 HA THR 1 73 -4.537 -2.830 11.414 1.00 0.00 H new ATOM 0 HB THR 1 73 -2.372 -2.331 12.052 1.00 0.00 H new ATOM 0 HG1 THR 1 73 -0.628 -2.103 10.471 1.00 0.00 H new ATOM 0 HG21 THR 1 73 -0.934 -4.211 11.328 1.00 0.00 H new ATOM 0 HG22 THR 1 73 -2.596 -4.728 11.700 1.00 0.00 H new ATOM 0 HG23 THR 1 73 -2.076 -4.551 10.007 1.00 0.00 H new ATOM 1022 N GLY 1 74 -4.854 -0.787 9.199 1.00 0.00 N ATOM 1023 CA GLY 1 74 -5.181 0.579 8.827 1.00 0.00 C ATOM 1024 C GLY 1 74 -3.984 1.509 8.879 1.00 0.00 C ATOM 1025 O GLY 1 74 -4.137 2.716 9.062 1.00 0.00 O ATOM 0 H GLY 1 74 -5.196 -1.499 8.553 1.00 0.00 H new ATOM 0 HA2 GLY 1 74 -5.596 0.586 7.819 1.00 0.00 H new ATOM 0 HA3 GLY 1 74 -5.956 0.956 9.494 1.00 0.00 H new ATOM 1029 N LYS 1 75 -2.789 0.949 8.721 1.00 0.00 N ATOM 1030 CA LYS 1 75 -1.568 1.744 8.756 1.00 0.00 C ATOM 1031 C LYS 1 75 -0.566 1.290 7.694 1.00 0.00 C ATOM 1032 O LYS 1 75 0.573 1.758 7.673 1.00 0.00 O ATOM 1033 CB LYS 1 75 -0.926 1.664 10.142 1.00 0.00 C ATOM 1034 CG LYS 1 75 -1.748 2.331 11.232 1.00 0.00 C ATOM 1035 CD LYS 1 75 -0.966 2.440 12.531 1.00 0.00 C ATOM 1036 CE LYS 1 75 -0.573 1.070 13.061 1.00 0.00 C ATOM 1037 NZ LYS 1 75 0.760 0.640 12.554 1.00 0.00 N ATOM 0 H LYS 1 75 -2.641 -0.049 8.568 1.00 0.00 H new ATOM 0 HA LYS 1 75 -1.842 2.777 8.540 1.00 0.00 H new ATOM 0 HB2 LYS 1 75 -0.774 0.617 10.403 1.00 0.00 H new ATOM 0 HB3 LYS 1 75 0.059 2.130 10.105 1.00 0.00 H new ATOM 0 HG2 LYS 1 75 -2.051 3.325 10.904 1.00 0.00 H new ATOM 0 HG3 LYS 1 75 -2.661 1.760 11.402 1.00 0.00 H new ATOM 0 HD2 LYS 1 75 -0.070 3.039 12.368 1.00 0.00 H new ATOM 0 HD3 LYS 1 75 -1.567 2.961 13.276 1.00 0.00 H new ATOM 0 HE2 LYS 1 75 -0.557 1.093 14.151 1.00 0.00 H new ATOM 0 HE3 LYS 1 75 -1.326 0.338 12.769 1.00 0.00 H new ATOM 0 HZ1 LYS 1 75 0.670 -0.279 12.076 1.00 0.00 H new ATOM 0 HZ2 LYS 1 75 1.120 1.347 11.881 1.00 0.00 H new ATOM 0 HZ3 LYS 1 75 1.423 0.552 13.351 1.00 0.00 H new ATOM 1051 N SER 1 76 -0.984 0.382 6.815 1.00 0.00 N ATOM 1052 CA SER 1 76 -0.098 -0.112 5.766 1.00 0.00 C ATOM 1053 C SER 1 76 -0.864 -0.910 4.714 1.00 0.00 C ATOM 1054 O SER 1 76 -2.028 -1.262 4.908 1.00 0.00 O ATOM 1055 CB SER 1 76 1.006 -0.980 6.372 1.00 0.00 C ATOM 1056 OG SER 1 76 2.144 -0.203 6.703 1.00 0.00 O ATOM 0 H SER 1 76 -1.920 -0.022 6.808 1.00 0.00 H new ATOM 0 HA SER 1 76 0.348 0.753 5.276 1.00 0.00 H new ATOM 0 HB2 SER 1 76 0.631 -1.479 7.265 1.00 0.00 H new ATOM 0 HB3 SER 1 76 1.288 -1.760 5.665 1.00 0.00 H new ATOM 0 HG SER 1 76 1.856 0.655 7.078 1.00 0.00 H new ATOM 1062 N SER 1 77 -0.192 -1.197 3.603 1.00 0.00 N ATOM 1063 CA SER 1 77 -0.787 -1.962 2.510 1.00 0.00 C ATOM 1064 C SER 1 77 -0.606 -3.462 2.729 1.00 0.00 C ATOM 1065 O SER 1 77 -0.850 -4.263 1.826 1.00 0.00 O ATOM 1066 CB SER 1 77 -0.150 -1.555 1.179 1.00 0.00 C ATOM 1067 OG SER 1 77 1.058 -2.261 0.951 1.00 0.00 O ATOM 0 H SER 1 77 0.772 -0.909 3.435 1.00 0.00 H new ATOM 0 HA SER 1 77 -1.855 -1.743 2.485 1.00 0.00 H new ATOM 0 HB2 SER 1 77 -0.847 -1.750 0.364 1.00 0.00 H new ATOM 0 HB3 SER 1 77 0.047 -0.483 1.180 1.00 0.00 H new ATOM 0 HG SER 1 77 1.443 -1.983 0.094 1.00 0.00 H new ATOM 1073 N ASP 1 78 -0.172 -3.838 3.930 1.00 0.00 N ATOM 1074 CA ASP 1 78 0.051 -5.241 4.254 1.00 0.00 C ATOM 1075 C ASP 1 78 -0.950 -5.741 5.288 1.00 0.00 C ATOM 1076 O ASP 1 78 -1.344 -5.011 6.197 1.00 0.00 O ATOM 1077 CB ASP 1 78 1.476 -5.445 4.771 1.00 0.00 C ATOM 1078 CG ASP 1 78 2.465 -5.708 3.653 1.00 0.00 C ATOM 1079 OD1 ASP 1 78 2.490 -4.920 2.684 1.00 0.00 O ATOM 1080 OD2 ASP 1 78 3.215 -6.703 3.745 1.00 0.00 O ATOM 0 H ASP 1 78 0.031 -3.191 4.692 1.00 0.00 H new ATOM 0 HA ASP 1 78 -0.089 -5.818 3.340 1.00 0.00 H new ATOM 0 HB2 ASP 1 78 1.788 -4.561 5.327 1.00 0.00 H new ATOM 0 HB3 ASP 1 78 1.490 -6.282 5.469 1.00 0.00 H new ATOM 1085 N CYS 1 79 -1.351 -6.997 5.138 1.00 0.00 N ATOM 1086 CA CYS 1 79 -2.301 -7.619 6.049 1.00 0.00 C ATOM 1087 C CYS 1 79 -1.659 -8.815 6.757 1.00 0.00 C ATOM 1088 O CYS 1 79 -1.550 -9.896 6.180 1.00 0.00 O ATOM 1089 CB CYS 1 79 -3.541 -8.074 5.276 1.00 0.00 C ATOM 1090 SG CYS 1 79 -5.085 -7.993 6.238 1.00 0.00 S ATOM 0 H CYS 1 79 -1.030 -7.608 4.387 1.00 0.00 H new ATOM 0 HA CYS 1 79 -2.595 -6.887 6.801 1.00 0.00 H new ATOM 0 HB2 CYS 1 79 -3.648 -7.456 4.384 1.00 0.00 H new ATOM 0 HB3 CYS 1 79 -3.389 -9.099 4.937 1.00 0.00 H new ATOM 1095 N PRO 1 80 -1.214 -8.637 8.015 1.00 0.00 N ATOM 1096 CA PRO 1 80 -0.574 -9.712 8.788 1.00 0.00 C ATOM 1097 C PRO 1 80 -1.561 -10.794 9.227 1.00 0.00 C ATOM 1098 O PRO 1 80 -2.712 -10.503 9.552 1.00 0.00 O ATOM 1099 CB PRO 1 80 -0.012 -8.979 10.008 1.00 0.00 C ATOM 1100 CG PRO 1 80 -0.892 -7.789 10.169 1.00 0.00 C ATOM 1101 CD PRO 1 80 -1.287 -7.377 8.778 1.00 0.00 C ATOM 0 HA PRO 1 80 0.177 -10.240 8.200 1.00 0.00 H new ATOM 0 HB2 PRO 1 80 -0.034 -9.611 10.895 1.00 0.00 H new ATOM 0 HB3 PRO 1 80 1.026 -8.686 9.851 1.00 0.00 H new ATOM 0 HG2 PRO 1 80 -1.770 -8.030 10.769 1.00 0.00 H new ATOM 0 HG3 PRO 1 80 -0.368 -6.982 10.681 1.00 0.00 H new ATOM 0 HD2 PRO 1 80 -2.290 -6.951 8.755 1.00 0.00 H new ATOM 0 HD3 PRO 1 80 -0.611 -6.623 8.375 1.00 0.00 H new ATOM 1109 N TRP 1 81 -1.096 -12.044 9.240 1.00 0.00 N ATOM 1110 CA TRP 1 81 -1.932 -13.183 9.646 1.00 0.00 C ATOM 1111 C TRP 1 81 -2.211 -13.168 11.147 1.00 0.00 C ATOM 1112 O TRP 1 81 -2.901 -14.046 11.663 1.00 0.00 O ATOM 1113 CB TRP 1 81 -1.273 -14.524 9.290 1.00 0.00 C ATOM 1114 CG TRP 1 81 -0.099 -14.419 8.369 1.00 0.00 C ATOM 1115 CD1 TRP 1 81 1.210 -14.255 8.718 1.00 0.00 C ATOM 1116 CD2 TRP 1 81 -0.133 -14.478 6.945 1.00 0.00 C ATOM 1117 NE1 TRP 1 81 1.993 -14.211 7.591 1.00 0.00 N ATOM 1118 CE2 TRP 1 81 1.190 -14.346 6.489 1.00 0.00 C ATOM 1119 CE3 TRP 1 81 -1.157 -14.631 6.014 1.00 0.00 C ATOM 1120 CZ2 TRP 1 81 1.514 -14.364 5.138 1.00 0.00 C ATOM 1121 CZ3 TRP 1 81 -0.837 -14.649 4.670 1.00 0.00 C ATOM 1122 CH2 TRP 1 81 0.491 -14.517 4.242 1.00 0.00 C ATOM 0 H TRP 1 81 -0.144 -12.297 8.974 1.00 0.00 H new ATOM 0 HA TRP 1 81 -2.870 -13.081 9.099 1.00 0.00 H new ATOM 0 HB2 TRP 1 81 -0.953 -15.012 10.211 1.00 0.00 H new ATOM 0 HB3 TRP 1 81 -2.021 -15.170 8.831 1.00 0.00 H new ATOM 0 HD1 TRP 1 81 1.576 -14.172 9.731 1.00 0.00 H new ATOM 0 HE1 TRP 1 81 3.006 -14.097 7.576 1.00 0.00 H new ATOM 0 HE3 TRP 1 81 -2.183 -14.734 6.337 1.00 0.00 H new ATOM 0 HZ2 TRP 1 81 2.537 -14.261 4.807 1.00 0.00 H new ATOM 0 HZ3 TRP 1 81 -1.622 -14.767 3.938 1.00 0.00 H new ATOM 0 HH2 TRP 1 81 0.711 -14.536 3.185 1.00 0.00 H new ATOM 1133 N ASN 1 82 -1.656 -12.186 11.845 1.00 0.00 N ATOM 1134 CA ASN 1 82 -1.830 -12.083 13.288 1.00 0.00 C ATOM 1135 C ASN 1 82 -1.141 -13.254 13.980 1.00 0.00 C ATOM 1136 O ASN 1 82 -1.577 -13.714 15.036 1.00 0.00 O ATOM 1137 CB ASN 1 82 -3.318 -12.056 13.653 1.00 0.00 C ATOM 1138 CG ASN 1 82 -3.840 -10.645 13.844 1.00 0.00 C ATOM 1139 OD1 ASN 1 82 -3.669 -10.047 14.906 1.00 0.00 O ATOM 1140 ND2 ASN 1 82 -4.482 -10.107 12.814 1.00 0.00 N ATOM 0 H ASN 1 82 -1.081 -11.449 11.435 1.00 0.00 H new ATOM 0 HA ASN 1 82 -1.376 -11.151 13.626 1.00 0.00 H new ATOM 0 HB2 ASN 1 82 -3.891 -12.549 12.868 1.00 0.00 H new ATOM 0 HB3 ASN 1 82 -3.475 -12.626 14.569 1.00 0.00 H new ATOM 0 HD21 ASN 1 82 -4.857 -9.161 12.884 1.00 0.00 H new ATOM 0 HD22 ASN 1 82 -4.601 -10.640 11.952 1.00 0.00 H new ATOM 1147 N HIS 1 83 -0.064 -13.736 13.366 1.00 0.00 N ATOM 1148 CA HIS 1 83 0.693 -14.860 13.902 1.00 0.00 C ATOM 1149 C HIS 1 83 2.030 -14.398 14.473 1.00 0.00 C ATOM 1150 O HIS 1 83 2.850 -13.862 13.698 1.00 0.00 O ATOM 1151 CB HIS 1 83 0.922 -15.901 12.805 1.00 0.00 C ATOM 1152 CG HIS 1 83 -0.350 -16.391 12.190 1.00 0.00 C ATOM 1153 ND1 HIS 1 83 -1.632 -16.276 12.607 1.00 0.00 N flip ATOM 1154 CD2 HIS 1 83 -0.398 -17.079 10.996 1.00 0.00 C flip ATOM 1155 CE1 HIS 1 83 -2.423 -16.889 11.668 1.00 0.00 C flip ATOM 1156 NE2 HIS 1 83 -1.655 -17.364 10.706 1.00 0.00 N flip ATOM 1157 OXT HIS 1 83 2.245 -14.575 15.690 1.00 0.00 O ATOM 0 H HIS 1 83 0.305 -13.362 12.492 1.00 0.00 H new ATOM 0 HA HIS 1 83 0.116 -15.308 14.711 1.00 0.00 H new ATOM 0 HB2 HIS 1 83 1.552 -15.469 12.028 1.00 0.00 H new ATOM 0 HB3 HIS 1 83 1.467 -16.748 13.223 1.00 0.00 H new ATOM 0 HD1 HIS 1 83 -1.951 -15.819 13.461 1.00 0.00 H new ATOM 0 HD2 HIS 1 83 0.458 -17.343 10.393 1.00 0.00 H new ATOM 0 HE1 HIS 1 83 -3.499 -16.970 11.710 1.00 0.00 H new