USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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: A 39 HIS : no HE2:sc= -4.32! C(o=-3.8!,f=-8.1!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.541 K(o=-3.8,f=-6.8!) USER MOD Set 2.1: A 15 HIS : no HD1:sc= 1.08 K(o=2.3,f=-6.4!) USER MOD Set 2.2: A 20 SER OG : rot -122:sc= 1.26 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= -0.0562 USER MOD Single : A 8 THR OG1 : rot 120:sc= -0.0338 USER MOD Single : A 13 GLN : amide:sc= 0.0657 X(o=0.066,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 1.22 (180deg=0.787) USER MOD Single : A 21 THR OG1 : rot 140:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.47 K(o=-0.47,f=-4.7!) USER MOD Single : A 27 HIS : no HD1:sc= -0.0668 K(o=-0.067,f=-2.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0122 USER MOD Single : A 33 THR OG1 : rot 14:sc= 0.799 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0124) USER MOD Single : A 49 GLN : amide:sc= -0.21 X(o=-0.21,f=-0.36) USER MOD Single : A 55 THR OG1 : rot 120:sc= 0.197 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 54:sc= 0.549 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -122:sc= 0.747 USER MOD Single : A 80 HIS : no HD1:sc= -0.858 X(o=-0.86,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.773 -7.486 -10.891 1.00 0.00 N ATOM 66 CA LYS A 5 1.448 -8.420 -10.001 1.00 0.00 C ATOM 67 C LYS A 5 0.492 -8.894 -8.908 1.00 0.00 C ATOM 68 O LYS A 5 0.632 -8.539 -7.743 1.00 0.00 O ATOM 69 CB LYS A 5 2.753 -7.849 -9.430 1.00 0.00 C ATOM 70 CG LYS A 5 3.811 -7.574 -10.508 1.00 0.00 C ATOM 71 CD LYS A 5 5.136 -7.192 -9.836 1.00 0.00 C ATOM 72 CE LYS A 5 6.314 -7.241 -10.819 1.00 0.00 C ATOM 73 NZ LYS A 5 7.611 -7.303 -10.111 1.00 0.00 N ATOM 0 HA LYS A 5 1.743 -9.289 -10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.536 -6.923 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.160 -8.548 -8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.948 -8.457 -11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.478 -6.769 -11.163 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.054 -6.189 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.329 -7.869 -9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.211 -8.111 -11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.291 -6.360 -11.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.384 -7.335 -10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.719 -6.461 -9.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.642 -8.157 -9.518 1.00 0.00 H new ATOM 87 N TYR A 6 -0.501 -9.697 -9.286 1.00 0.00 N ATOM 88 CA TYR A 6 -1.393 -10.324 -8.324 1.00 0.00 C ATOM 89 C TYR A 6 -0.597 -11.092 -7.257 1.00 0.00 C ATOM 90 O TYR A 6 0.085 -12.058 -7.608 1.00 0.00 O ATOM 91 CB TYR A 6 -2.376 -11.241 -9.060 1.00 0.00 C ATOM 92 CG TYR A 6 -3.566 -10.518 -9.662 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.522 -9.956 -8.801 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.764 -10.456 -11.054 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.691 -9.377 -9.315 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.901 -9.808 -11.573 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.863 -9.267 -10.701 1.00 0.00 C ATOM 98 OH TYR A 6 -7.022 -8.737 -11.186 1.00 0.00 O ATOM 0 H TYR A 6 -0.705 -9.927 -10.259 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.961 -9.551 -7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.843 -11.764 -9.854 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.738 -11.999 -8.366 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.356 -9.970 -7.734 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.045 -10.905 -11.723 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.457 -9.017 -8.644 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.035 -9.726 -12.642 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.992 -8.726 -12.165 1.00 0.00 H new ATOM 108 N TYR A 7 -0.680 -10.668 -5.988 1.00 0.00 N ATOM 109 CA TYR A 7 0.004 -11.289 -4.852 1.00 0.00 C ATOM 110 C TYR A 7 -0.981 -11.774 -3.784 1.00 0.00 C ATOM 111 O TYR A 7 -2.039 -11.180 -3.594 1.00 0.00 O ATOM 112 CB TYR A 7 0.951 -10.280 -4.207 1.00 0.00 C ATOM 113 CG TYR A 7 2.195 -9.948 -5.002 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.188 -10.930 -5.159 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.437 -8.634 -5.445 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.413 -10.607 -5.764 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.648 -8.322 -6.089 1.00 0.00 C ATOM 118 CZ TYR A 7 4.641 -9.304 -6.232 1.00 0.00 C ATOM 119 OH TYR A 7 5.824 -9.003 -6.842 1.00 0.00 O ATOM 0 H TYR A 7 -1.242 -9.860 -5.719 1.00 0.00 H new ATOM 0 HA TYR A 7 0.552 -12.149 -5.237 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.401 -9.357 -4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.256 -10.666 -3.234 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.008 -11.937 -4.813 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.694 -7.866 -5.291 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.179 -11.361 -5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.814 -7.327 -6.474 1.00 0.00 H new ATOM 0 HH TYR A 7 6.172 -9.801 -7.293 1.00 0.00 H new ATOM 129 N THR A 8 -0.638 -12.862 -3.088 1.00 0.00 N ATOM 130 CA THR A 8 -1.461 -13.496 -2.069 1.00 0.00 C ATOM 131 C THR A 8 -1.332 -12.776 -0.720 1.00 0.00 C ATOM 132 O THR A 8 -0.455 -11.934 -0.529 1.00 0.00 O ATOM 133 CB THR A 8 -1.002 -14.958 -1.962 1.00 0.00 C ATOM 134 OG1 THR A 8 0.410 -14.976 -1.969 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.484 -15.784 -3.157 1.00 0.00 C ATOM 0 H THR A 8 0.253 -13.338 -3.228 1.00 0.00 H new ATOM 0 HA THR A 8 -2.514 -13.444 -2.345 1.00 0.00 H new ATOM 0 HB THR A 8 -1.415 -15.385 -1.048 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.736 -15.379 -1.138 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.142 -16.813 -3.050 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.573 -15.766 -3.196 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.081 -15.362 -4.077 1.00 0.00 H new ATOM 143 N LEU A 9 -2.213 -13.116 0.228 1.00 0.00 N ATOM 144 CA LEU A 9 -2.318 -12.414 1.496 1.00 0.00 C ATOM 145 C LEU A 9 -1.012 -12.544 2.265 1.00 0.00 C ATOM 146 O LEU A 9 -0.316 -11.549 2.440 1.00 0.00 O ATOM 147 CB LEU A 9 -3.495 -12.954 2.323 1.00 0.00 C ATOM 148 CG LEU A 9 -4.875 -12.450 1.874 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.076 -10.946 2.106 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.178 -12.787 0.416 1.00 0.00 C ATOM 0 H LEU A 9 -2.871 -13.889 0.129 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.507 -11.359 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.487 -14.043 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.345 -12.680 3.367 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.581 -12.985 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.070 -10.655 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.976 -10.725 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.325 -10.388 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.165 -12.407 0.152 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.428 -12.326 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.157 -13.868 0.281 1.00 0.00 H new ATOM 162 N GLU A 10 -0.673 -13.763 2.701 1.00 0.00 N ATOM 163 CA GLU A 10 0.542 -14.031 3.454 1.00 0.00 C ATOM 164 C GLU A 10 1.753 -13.347 2.829 1.00 0.00 C ATOM 165 O GLU A 10 2.532 -12.723 3.542 1.00 0.00 O ATOM 166 CB GLU A 10 0.815 -15.532 3.523 1.00 0.00 C ATOM 167 CG GLU A 10 -0.152 -16.295 4.429 1.00 0.00 C ATOM 168 CD GLU A 10 0.297 -17.747 4.548 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.537 -17.951 4.573 1.00 0.00 O ATOM 170 OE2 GLU A 10 -0.600 -18.614 4.588 1.00 0.00 O ATOM 0 H GLU A 10 -1.243 -14.592 2.536 1.00 0.00 H new ATOM 0 HA GLU A 10 0.386 -13.633 4.457 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.760 -15.948 2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.833 -15.691 3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.185 -15.832 5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.162 -16.248 4.021 1.00 0.00 H new ATOM 177 N GLU A 11 1.912 -13.484 1.509 1.00 0.00 N ATOM 178 CA GLU A 11 2.993 -12.857 0.765 1.00 0.00 C ATOM 179 C GLU A 11 3.077 -11.378 1.150 1.00 0.00 C ATOM 180 O GLU A 11 4.068 -10.917 1.712 1.00 0.00 O ATOM 181 CB GLU A 11 2.746 -13.053 -0.738 1.00 0.00 C ATOM 182 CG GLU A 11 3.981 -12.750 -1.591 1.00 0.00 C ATOM 183 CD GLU A 11 4.909 -13.955 -1.644 1.00 0.00 C ATOM 184 OE1 GLU A 11 4.639 -14.829 -2.496 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.839 -14.000 -0.810 1.00 0.00 O ATOM 0 H GLU A 11 1.285 -14.040 0.928 1.00 0.00 H new ATOM 0 HA GLU A 11 3.951 -13.317 1.008 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.430 -14.081 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.926 -12.408 -1.053 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.673 -12.477 -2.601 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.513 -11.893 -1.177 1.00 0.00 H new ATOM 192 N ILE A 12 2.004 -10.625 0.920 1.00 0.00 N ATOM 193 CA ILE A 12 2.010 -9.205 1.232 1.00 0.00 C ATOM 194 C ILE A 12 2.149 -8.968 2.736 1.00 0.00 C ATOM 195 O ILE A 12 2.809 -8.022 3.159 1.00 0.00 O ATOM 196 CB ILE A 12 0.782 -8.528 0.601 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.698 -8.812 -0.908 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.812 -7.015 0.826 1.00 0.00 C ATOM 199 CD1 ILE A 12 1.882 -8.291 -1.708 1.00 0.00 C ATOM 0 H ILE A 12 1.131 -10.972 0.523 1.00 0.00 H new ATOM 0 HA ILE A 12 2.888 -8.735 0.789 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.098 -8.947 1.089 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.617 -9.888 -1.060 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.216 -8.365 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.068 -6.562 0.369 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.814 -6.806 1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.711 -6.598 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.744 -8.533 -2.762 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.953 -7.210 -1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.799 -8.757 -1.346 1.00 0.00 H new ATOM 211 N GLN A 13 1.588 -9.865 3.544 1.00 0.00 N ATOM 212 CA GLN A 13 1.687 -9.830 4.992 1.00 0.00 C ATOM 213 C GLN A 13 3.112 -10.132 5.491 1.00 0.00 C ATOM 214 O GLN A 13 3.393 -9.911 6.668 1.00 0.00 O ATOM 215 CB GLN A 13 0.620 -10.770 5.590 1.00 0.00 C ATOM 216 CG GLN A 13 -0.159 -10.174 6.775 1.00 0.00 C ATOM 217 CD GLN A 13 -1.663 -10.133 6.499 1.00 0.00 C ATOM 218 OE1 GLN A 13 -2.318 -11.170 6.463 1.00 0.00 O ATOM 219 NE2 GLN A 13 -2.224 -8.943 6.301 1.00 0.00 N ATOM 0 H GLN A 13 1.040 -10.652 3.197 1.00 0.00 H new ATOM 0 HA GLN A 13 1.485 -8.817 5.341 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.087 -11.043 4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.105 -11.690 5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.031 -10.766 7.670 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.202 -9.166 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.654 -8.098 6.337 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.224 -8.876 6.113 1.00 0.00 H new ATOM 228 N LYS A 14 4.017 -10.611 4.626 1.00 0.00 N ATOM 229 CA LYS A 14 5.425 -10.825 4.952 1.00 0.00 C ATOM 230 C LYS A 14 6.224 -9.532 4.731 1.00 0.00 C ATOM 231 O LYS A 14 7.179 -9.268 5.462 1.00 0.00 O ATOM 232 CB LYS A 14 5.997 -12.006 4.135 1.00 0.00 C ATOM 233 CG LYS A 14 5.879 -13.374 4.835 1.00 0.00 C ATOM 234 CD LYS A 14 5.269 -14.475 3.946 1.00 0.00 C ATOM 235 CE LYS A 14 5.725 -15.880 4.374 1.00 0.00 C ATOM 236 NZ LYS A 14 4.826 -16.953 3.879 1.00 0.00 N ATOM 0 H LYS A 14 3.783 -10.863 3.666 1.00 0.00 H new ATOM 0 HA LYS A 14 5.511 -11.089 6.006 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.480 -12.055 3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.047 -11.810 3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.869 -13.691 5.163 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.268 -13.262 5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.182 -14.417 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.554 -14.302 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.734 -16.058 4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.773 -15.926 5.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.181 -17.877 4.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.867 -16.803 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.799 -16.931 2.840 1.00 0.00 H new ATOM 250 N HIS A 15 5.849 -8.711 3.744 1.00 0.00 N ATOM 251 CA HIS A 15 6.521 -7.443 3.466 1.00 0.00 C ATOM 252 C HIS A 15 6.205 -6.407 4.556 1.00 0.00 C ATOM 253 O HIS A 15 5.416 -5.485 4.340 1.00 0.00 O ATOM 254 CB HIS A 15 6.134 -6.939 2.069 1.00 0.00 C ATOM 255 CG HIS A 15 6.817 -7.674 0.942 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.013 -7.327 0.351 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.359 -8.795 0.306 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.269 -8.229 -0.610 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.288 -9.142 -0.678 1.00 0.00 N ATOM 0 H HIS A 15 5.070 -8.910 3.116 1.00 0.00 H new ATOM 0 HA HIS A 15 7.599 -7.602 3.479 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.055 -7.030 1.947 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.375 -5.878 1.997 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.441 -9.320 0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.145 -8.221 -1.242 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.232 -9.932 -1.320 1.00 0.00 H new ATOM 267 N LYS A 16 6.837 -6.556 5.724 1.00 0.00 N ATOM 268 CA LYS A 16 6.675 -5.673 6.866 1.00 0.00 C ATOM 269 C LYS A 16 7.933 -5.721 7.754 1.00 0.00 C ATOM 270 O LYS A 16 7.830 -5.796 8.977 1.00 0.00 O ATOM 271 CB LYS A 16 5.407 -6.111 7.619 1.00 0.00 C ATOM 272 CG LYS A 16 4.941 -5.062 8.634 1.00 0.00 C ATOM 273 CD LYS A 16 3.809 -5.607 9.517 1.00 0.00 C ATOM 274 CE LYS A 16 3.947 -5.156 10.980 1.00 0.00 C ATOM 275 NZ LYS A 16 3.899 -3.686 11.128 1.00 0.00 N ATOM 0 H LYS A 16 7.492 -7.318 5.899 1.00 0.00 H new ATOM 0 HA LYS A 16 6.558 -4.636 6.552 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.608 -6.299 6.902 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.600 -7.052 8.135 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.781 -4.760 9.260 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.599 -4.171 8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.850 -5.271 9.124 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.808 -6.696 9.473 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.148 -5.603 11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.889 -5.528 11.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.774 -3.442 12.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.787 -3.273 10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.101 -3.308 10.578 1.00 0.00 H new ATOM 334 N SER A 20 10.809 -3.109 3.456 1.00 0.00 N ATOM 335 CA SER A 20 9.719 -3.468 2.571 1.00 0.00 C ATOM 336 C SER A 20 8.437 -3.021 3.266 1.00 0.00 C ATOM 337 O SER A 20 7.897 -3.745 4.098 1.00 0.00 O ATOM 338 CB SER A 20 9.773 -4.977 2.272 1.00 0.00 C ATOM 339 OG SER A 20 9.778 -5.194 0.874 1.00 0.00 O ATOM 0 HA SER A 20 9.778 -2.978 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.667 -5.413 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.915 -5.476 2.723 1.00 0.00 H new ATOM 0 HG SER A 20 9.013 -5.755 0.627 1.00 0.00 H new ATOM 345 N THR A 21 8.002 -1.789 2.990 1.00 0.00 N ATOM 346 CA THR A 21 6.737 -1.248 3.426 1.00 0.00 C ATOM 347 C THR A 21 5.845 -1.219 2.193 1.00 0.00 C ATOM 348 O THR A 21 5.941 -0.326 1.347 1.00 0.00 O ATOM 349 CB THR A 21 6.970 0.129 4.053 1.00 0.00 C ATOM 350 OG1 THR A 21 7.627 -0.060 5.291 1.00 0.00 O ATOM 351 CG2 THR A 21 5.641 0.851 4.252 1.00 0.00 C ATOM 0 H THR A 21 8.548 -1.128 2.438 1.00 0.00 H new ATOM 0 HA THR A 21 6.251 -1.845 4.198 1.00 0.00 H new ATOM 0 HB THR A 21 7.585 0.745 3.397 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.312 0.631 5.406 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.821 1.829 4.699 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.148 0.978 3.288 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.003 0.263 4.912 1.00 0.00 H new ATOM 359 N TRP A 22 5.021 -2.256 2.085 1.00 0.00 N ATOM 360 CA TRP A 22 3.969 -2.378 1.098 1.00 0.00 C ATOM 361 C TRP A 22 2.654 -2.117 1.815 1.00 0.00 C ATOM 362 O TRP A 22 2.587 -2.227 3.038 1.00 0.00 O ATOM 363 CB TRP A 22 4.011 -3.781 0.507 1.00 0.00 C ATOM 364 CG TRP A 22 5.143 -4.050 -0.440 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.284 -3.337 -0.585 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.195 -5.069 -1.473 1.00 0.00 C ATOM 367 NE1 TRP A 22 7.007 -3.827 -1.647 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.404 -4.926 -2.209 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.294 -6.053 -1.905 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.723 -5.747 -3.298 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.618 -6.915 -2.970 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.836 -6.773 -3.658 1.00 0.00 C ATOM 0 H TRP A 22 5.075 -3.061 2.709 1.00 0.00 H new ATOM 0 HA TRP A 22 4.087 -1.667 0.280 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.066 -4.499 1.325 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.072 -3.964 -0.015 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.582 -2.508 0.040 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.884 -3.424 -1.977 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.337 -6.151 -1.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.637 -5.593 -3.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.926 -7.691 -3.261 1.00 0.00 H new ATOM 0 HH2 TRP A 22 6.088 -7.451 -4.460 1.00 0.00 H new ATOM 383 N VAL A 23 1.609 -1.784 1.066 1.00 0.00 N ATOM 384 CA VAL A 23 0.268 -1.602 1.596 1.00 0.00 C ATOM 385 C VAL A 23 -0.709 -1.943 0.478 1.00 0.00 C ATOM 386 O VAL A 23 -0.416 -1.687 -0.692 1.00 0.00 O ATOM 387 CB VAL A 23 0.044 -0.165 2.106 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.565 0.078 3.526 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.673 0.889 1.198 1.00 0.00 C ATOM 0 H VAL A 23 1.673 -1.631 0.060 1.00 0.00 H new ATOM 0 HA VAL A 23 0.116 -2.255 2.455 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.041 -0.064 2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.371 1.111 3.813 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.058 -0.593 4.219 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.638 -0.111 3.557 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.483 1.881 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.748 0.721 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.237 0.818 0.201 1.00 0.00 H new ATOM 399 N ILE A 24 -1.854 -2.533 0.839 1.00 0.00 N ATOM 400 CA ILE A 24 -2.923 -2.815 -0.098 1.00 0.00 C ATOM 401 C ILE A 24 -4.049 -1.813 0.135 1.00 0.00 C ATOM 402 O ILE A 24 -4.636 -1.798 1.216 1.00 0.00 O ATOM 403 CB ILE A 24 -3.344 -4.291 -0.050 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.973 -4.739 1.265 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.118 -5.172 -0.290 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.494 -4.868 1.162 1.00 0.00 C ATOM 0 H ILE A 24 -2.056 -2.826 1.795 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.583 -2.679 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.105 -4.395 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.548 -5.698 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.723 -4.023 2.048 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.412 -6.221 -0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.693 -4.945 -1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.374 -4.979 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.898 -5.189 2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.924 -3.903 0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.746 -5.604 0.398 1.00 0.00 H new ATOM 418 N LEU A 25 -4.297 -0.924 -0.836 1.00 0.00 N ATOM 419 CA LEU A 25 -5.321 0.105 -0.719 1.00 0.00 C ATOM 420 C LEU A 25 -6.423 -0.172 -1.745 1.00 0.00 C ATOM 421 O LEU A 25 -6.215 0.044 -2.936 1.00 0.00 O ATOM 422 CB LEU A 25 -4.756 1.531 -0.839 1.00 0.00 C ATOM 423 CG LEU A 25 -3.437 1.778 -0.092 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.108 3.263 -0.145 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.469 1.414 1.390 1.00 0.00 C ATOM 0 H LEU A 25 -3.790 -0.904 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.745 0.057 0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.605 1.757 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.502 2.233 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.704 1.142 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.173 3.448 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.006 3.576 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.910 3.830 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.496 1.621 1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.233 2.006 1.894 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.700 0.354 1.500 1.00 0.00 H new ATOM 437 N HIS A 26 -7.586 -0.668 -1.306 1.00 0.00 N ATOM 438 CA HIS A 26 -8.695 -1.062 -2.177 1.00 0.00 C ATOM 439 C HIS A 26 -8.266 -2.164 -3.149 1.00 0.00 C ATOM 440 O HIS A 26 -8.318 -1.988 -4.365 1.00 0.00 O ATOM 441 CB HIS A 26 -9.309 0.140 -2.918 1.00 0.00 C ATOM 442 CG HIS A 26 -10.067 1.079 -2.024 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.437 1.224 -1.979 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.521 1.950 -1.123 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.710 2.170 -1.064 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.573 2.640 -0.528 1.00 0.00 N ATOM 0 H HIS A 26 -7.784 -0.809 -0.315 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.479 -1.467 -1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.513 0.692 -3.418 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.979 -0.228 -3.695 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.118 0.709 -2.537 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.470 2.079 -0.912 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.702 2.504 -0.798 1.00 0.00 H new ATOM 454 N HIS A 27 -7.865 -3.315 -2.595 1.00 0.00 N ATOM 455 CA HIS A 27 -7.480 -4.506 -3.351 1.00 0.00 C ATOM 456 C HIS A 27 -6.445 -4.188 -4.434 1.00 0.00 C ATOM 457 O HIS A 27 -6.488 -4.749 -5.526 1.00 0.00 O ATOM 458 CB HIS A 27 -8.722 -5.200 -3.932 1.00 0.00 C ATOM 459 CG HIS A 27 -9.708 -5.672 -2.893 1.00 0.00 C ATOM 460 ND1 HIS A 27 -9.420 -6.446 -1.791 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.064 -5.480 -2.915 1.00 0.00 C ATOM 462 CE1 HIS A 27 -10.574 -6.695 -1.153 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.604 -6.127 -1.801 1.00 0.00 N ATOM 0 H HIS A 27 -7.799 -3.444 -1.585 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.999 -5.199 -2.661 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.226 -4.511 -4.609 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.402 -6.055 -4.528 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.617 -4.927 -3.660 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.662 -7.272 -0.244 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.587 -6.161 -1.532 1.00 0.00 H new ATOM 471 N LYS A 28 -5.503 -3.300 -4.117 1.00 0.00 N ATOM 472 CA LYS A 28 -4.454 -2.855 -5.015 1.00 0.00 C ATOM 473 C LYS A 28 -3.196 -2.692 -4.183 1.00 0.00 C ATOM 474 O LYS A 28 -3.201 -1.918 -3.228 1.00 0.00 O ATOM 475 CB LYS A 28 -4.873 -1.544 -5.688 1.00 0.00 C ATOM 476 CG LYS A 28 -5.310 -1.795 -7.131 1.00 0.00 C ATOM 477 CD LYS A 28 -5.988 -0.541 -7.697 1.00 0.00 C ATOM 478 CE LYS A 28 -7.503 -0.577 -7.444 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.254 -0.834 -8.688 1.00 0.00 N ATOM 0 H LYS A 28 -5.453 -2.861 -3.198 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.271 -3.574 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.690 -1.087 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.042 -0.839 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.446 -2.059 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.998 -2.640 -7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.559 0.349 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.795 -0.470 -8.767 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.732 -1.352 -6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.824 0.372 -7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.273 -0.852 -8.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.054 -0.081 -9.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.965 -1.751 -9.085 1.00 0.00 H new ATOM 493 N VAL A 29 -2.154 -3.455 -4.514 1.00 0.00 N ATOM 494 CA VAL A 29 -0.894 -3.455 -3.804 1.00 0.00 C ATOM 495 C VAL A 29 -0.019 -2.340 -4.370 1.00 0.00 C ATOM 496 O VAL A 29 0.263 -2.304 -5.575 1.00 0.00 O ATOM 497 CB VAL A 29 -0.200 -4.828 -3.873 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.947 -4.830 -2.851 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.165 -5.993 -3.608 1.00 0.00 C ATOM 0 H VAL A 29 -2.172 -4.102 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.072 -3.267 -2.745 1.00 0.00 H new ATOM 0 HB VAL A 29 0.180 -4.979 -4.883 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.457 -5.793 -2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.654 -4.038 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.545 -4.661 -1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.622 -6.936 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.598 -5.888 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.960 -5.983 -4.353 1.00 0.00 H new ATOM 509 N TYR A 30 0.405 -1.441 -3.480 1.00 0.00 N ATOM 510 CA TYR A 30 1.284 -0.333 -3.788 1.00 0.00 C ATOM 511 C TYR A 30 2.618 -0.564 -3.084 1.00 0.00 C ATOM 512 O TYR A 30 2.628 -0.816 -1.875 1.00 0.00 O ATOM 513 CB TYR A 30 0.619 0.964 -3.324 1.00 0.00 C ATOM 514 CG TYR A 30 -0.691 1.250 -4.029 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.677 1.794 -5.322 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.914 0.874 -3.451 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.878 1.980 -6.026 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.117 1.142 -4.124 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.100 1.733 -5.394 1.00 0.00 C ATOM 520 OH TYR A 30 -4.263 2.129 -5.984 1.00 0.00 O ATOM 0 H TYR A 30 0.133 -1.473 -2.498 1.00 0.00 H new ATOM 0 HA TYR A 30 1.468 -0.257 -4.860 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.441 0.909 -2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.303 1.796 -3.492 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.262 2.071 -5.778 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.930 0.380 -2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.857 2.313 -7.053 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.060 0.891 -3.660 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.020 1.880 -5.414 1.00 0.00 H new ATOM 530 N ASP A 31 3.730 -0.474 -3.825 1.00 0.00 N ATOM 531 CA ASP A 31 5.047 -0.407 -3.204 1.00 0.00 C ATOM 532 C ASP A 31 5.308 1.062 -2.912 1.00 0.00 C ATOM 533 O ASP A 31 5.369 1.876 -3.831 1.00 0.00 O ATOM 534 CB ASP A 31 6.160 -0.995 -4.081 1.00 0.00 C ATOM 535 CG ASP A 31 7.504 -0.960 -3.348 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.884 0.136 -2.882 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.125 -2.036 -3.211 1.00 0.00 O ATOM 0 H ASP A 31 3.739 -0.447 -4.845 1.00 0.00 H new ATOM 0 HA ASP A 31 5.054 -1.012 -2.297 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.913 -2.022 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.233 -0.431 -5.011 1.00 0.00 H new ATOM 542 N LEU A 32 5.431 1.397 -1.628 1.00 0.00 N ATOM 543 CA LEU A 32 5.753 2.741 -1.185 1.00 0.00 C ATOM 544 C LEU A 32 7.101 2.734 -0.470 1.00 0.00 C ATOM 545 O LEU A 32 7.417 3.660 0.273 1.00 0.00 O ATOM 546 CB LEU A 32 4.637 3.232 -0.257 1.00 0.00 C ATOM 547 CG LEU A 32 3.236 3.101 -0.876 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.215 3.499 0.183 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.011 3.943 -2.140 1.00 0.00 C ATOM 0 H LEU A 32 5.308 0.733 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 32 5.827 3.417 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.671 2.665 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.818 4.276 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 32 3.126 2.064 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.210 3.415 -0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.309 2.839 1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.395 4.528 0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.996 3.787 -2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.153 4.998 -1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.724 3.643 -2.908 1.00 0.00 H new ATOM 561 N THR A 33 7.922 1.710 -0.704 1.00 0.00 N ATOM 562 CA THR A 33 9.164 1.493 0.017 1.00 0.00 C ATOM 563 C THR A 33 10.217 2.546 -0.346 1.00 0.00 C ATOM 564 O THR A 33 11.146 2.765 0.431 1.00 0.00 O ATOM 565 CB THR A 33 9.577 0.027 -0.181 1.00 0.00 C ATOM 566 OG1 THR A 33 8.596 -0.774 0.456 1.00 0.00 O ATOM 567 CG2 THR A 33 10.919 -0.343 0.443 1.00 0.00 C ATOM 0 H THR A 33 7.735 1.000 -1.412 1.00 0.00 H new ATOM 0 HA THR A 33 9.039 1.640 1.090 1.00 0.00 H new ATOM 0 HB THR A 33 9.665 -0.133 -1.256 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.810 -0.226 0.662 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.130 -1.396 0.254 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.706 0.269 0.003 1.00 0.00 H new ATOM 0 HG23 THR A 33 10.881 -0.168 1.518 1.00 0.00 H new ATOM 575 N LYS A 34 10.048 3.248 -1.475 1.00 0.00 N ATOM 576 CA LYS A 34 10.799 4.454 -1.800 1.00 0.00 C ATOM 577 C LYS A 34 9.917 5.705 -1.839 1.00 0.00 C ATOM 578 O LYS A 34 10.335 6.725 -2.375 1.00 0.00 O ATOM 579 CB LYS A 34 11.523 4.240 -3.133 1.00 0.00 C ATOM 580 CG LYS A 34 12.747 3.343 -2.932 1.00 0.00 C ATOM 581 CD LYS A 34 13.745 3.583 -4.076 1.00 0.00 C ATOM 582 CE LYS A 34 15.129 2.999 -3.773 1.00 0.00 C ATOM 583 NZ LYS A 34 15.083 1.539 -3.560 1.00 0.00 N ATOM 0 H LYS A 34 9.374 2.985 -2.194 1.00 0.00 H new ATOM 0 HA LYS A 34 11.527 4.631 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.844 3.785 -3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.831 5.200 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.217 3.559 -1.973 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.445 2.296 -2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.358 3.137 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.837 4.654 -4.256 1.00 0.00 H new ATOM 0 HE2 LYS A 34 15.805 3.223 -4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.539 3.481 -2.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.050 1.175 -3.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.528 1.330 -2.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.639 1.082 -4.382 1.00 0.00 H new ATOM 597 N PHE A 35 8.725 5.658 -1.242 1.00 0.00 N ATOM 598 CA PHE A 35 7.831 6.809 -1.151 1.00 0.00 C ATOM 599 C PHE A 35 7.695 7.271 0.301 1.00 0.00 C ATOM 600 O PHE A 35 7.015 8.249 0.582 1.00 0.00 O ATOM 601 CB PHE A 35 6.485 6.428 -1.770 1.00 0.00 C ATOM 602 CG PHE A 35 5.414 7.501 -1.766 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.646 8.755 -2.359 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.181 7.247 -1.143 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.644 9.740 -2.342 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.146 8.187 -1.218 1.00 0.00 C ATOM 607 CZ PHE A 35 3.388 9.451 -1.779 1.00 0.00 C ATOM 0 H PHE A 35 8.352 4.814 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 35 8.241 7.654 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.658 6.121 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.099 5.558 -1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.596 8.961 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.031 6.323 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.838 10.717 -2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.163 7.940 -0.845 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.611 10.201 -1.778 1.00 0.00 H new ATOM 617 N LEU A 36 8.355 6.589 1.238 1.00 0.00 N ATOM 618 CA LEU A 36 8.238 6.867 2.656 1.00 0.00 C ATOM 619 C LEU A 36 8.574 8.325 2.973 1.00 0.00 C ATOM 620 O LEU A 36 7.783 9.016 3.611 1.00 0.00 O ATOM 621 CB LEU A 36 9.125 5.884 3.425 1.00 0.00 C ATOM 622 CG LEU A 36 8.657 4.424 3.301 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.482 3.515 4.209 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.182 4.252 3.672 1.00 0.00 C ATOM 0 H LEU A 36 8.991 5.821 1.023 1.00 0.00 H new ATOM 0 HA LEU A 36 7.204 6.727 2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.148 5.964 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.141 6.166 4.478 1.00 0.00 H new ATOM 0 HG LEU A 36 8.793 4.149 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.135 2.487 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.533 3.574 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.368 3.835 5.245 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.901 3.204 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.027 4.569 4.703 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.567 4.860 3.009 1.00 0.00 H new ATOM 636 N GLU A 37 9.738 8.794 2.515 1.00 0.00 N ATOM 637 CA GLU A 37 10.148 10.174 2.728 1.00 0.00 C ATOM 638 C GLU A 37 9.307 11.120 1.862 1.00 0.00 C ATOM 639 O GLU A 37 8.830 12.145 2.343 1.00 0.00 O ATOM 640 CB GLU A 37 11.652 10.337 2.449 1.00 0.00 C ATOM 641 CG GLU A 37 12.318 11.181 3.547 1.00 0.00 C ATOM 642 CD GLU A 37 13.727 11.619 3.165 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.353 10.894 2.362 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.150 12.673 3.687 1.00 0.00 O ATOM 0 H GLU A 37 10.411 8.232 1.994 1.00 0.00 H new ATOM 0 HA GLU A 37 9.975 10.438 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.126 9.357 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.798 10.812 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.707 12.062 3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.357 10.605 4.472 1.00 0.00 H new ATOM 651 N GLU A 38 9.140 10.782 0.577 1.00 0.00 N ATOM 652 CA GLU A 38 8.427 11.624 -0.375 1.00 0.00 C ATOM 653 C GLU A 38 6.993 11.919 0.073 1.00 0.00 C ATOM 654 O GLU A 38 6.514 13.034 -0.125 1.00 0.00 O ATOM 655 CB GLU A 38 8.402 10.967 -1.760 1.00 0.00 C ATOM 656 CG GLU A 38 9.621 11.290 -2.634 1.00 0.00 C ATOM 657 CD GLU A 38 9.316 11.017 -4.105 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.347 11.631 -4.603 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.046 10.198 -4.701 1.00 0.00 O ATOM 0 H GLU A 38 9.498 9.916 0.174 1.00 0.00 H new ATOM 0 HA GLU A 38 8.966 12.570 -0.424 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.335 9.886 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.500 11.284 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.902 12.335 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.473 10.689 -2.316 1.00 0.00 H new ATOM 666 N HIS A 39 6.286 10.918 0.606 1.00 0.00 N ATOM 667 CA HIS A 39 4.886 11.040 0.983 1.00 0.00 C ATOM 668 C HIS A 39 4.693 12.263 1.878 1.00 0.00 C ATOM 669 O HIS A 39 5.180 12.265 3.008 1.00 0.00 O ATOM 670 CB HIS A 39 4.406 9.771 1.692 1.00 0.00 C ATOM 671 CG HIS A 39 2.990 9.841 2.228 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.658 9.787 3.556 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.814 9.821 1.523 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.320 9.737 3.648 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.752 9.736 2.436 1.00 0.00 N ATOM 0 H HIS A 39 6.679 9.994 0.787 1.00 0.00 H new ATOM 0 HA HIS A 39 4.289 11.168 0.080 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.476 8.934 0.997 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.083 9.555 2.519 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.313 9.785 4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.721 9.863 0.448 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.773 9.702 4.579 1.00 0.00 H new ATOM 683 N PRO A 40 3.963 13.291 1.419 1.00 0.00 N ATOM 684 CA PRO A 40 3.816 14.525 2.170 1.00 0.00 C ATOM 685 C PRO A 40 3.091 14.309 3.505 1.00 0.00 C ATOM 686 O PRO A 40 3.191 15.151 4.393 1.00 0.00 O ATOM 687 CB PRO A 40 3.106 15.512 1.237 1.00 0.00 C ATOM 688 CG PRO A 40 2.471 14.644 0.152 1.00 0.00 C ATOM 689 CD PRO A 40 3.294 13.361 0.130 1.00 0.00 C ATOM 0 HA PRO A 40 4.785 14.927 2.467 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.352 16.089 1.773 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.809 16.227 0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.425 14.436 0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.496 15.144 -0.816 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.656 12.491 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.018 13.376 -0.685 1.00 0.00 H new ATOM 697 N GLY A 41 2.389 13.181 3.676 1.00 0.00 N ATOM 698 CA GLY A 41 1.793 12.819 4.953 1.00 0.00 C ATOM 699 C GLY A 41 2.780 12.179 5.940 1.00 0.00 C ATOM 700 O GLY A 41 2.424 12.023 7.106 1.00 0.00 O ATOM 0 H GLY A 41 2.223 12.502 2.933 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.365 13.712 5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.971 12.126 4.776 1.00 0.00 H new ATOM 704 N GLY A 42 3.988 11.786 5.505 1.00 0.00 N ATOM 705 CA GLY A 42 5.028 11.213 6.364 1.00 0.00 C ATOM 706 C GLY A 42 5.343 9.751 6.082 1.00 0.00 C ATOM 707 O GLY A 42 4.592 9.082 5.379 1.00 0.00 O ATOM 0 H GLY A 42 4.271 11.860 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.941 11.797 6.248 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.717 11.311 7.404 1.00 0.00 H new ATOM 711 N GLU A 43 6.415 9.238 6.699 1.00 0.00 N ATOM 712 CA GLU A 43 6.779 7.828 6.615 1.00 0.00 C ATOM 713 C GLU A 43 5.938 7.001 7.596 1.00 0.00 C ATOM 714 O GLU A 43 5.409 5.944 7.244 1.00 0.00 O ATOM 715 CB GLU A 43 8.293 7.644 6.884 1.00 0.00 C ATOM 716 CG GLU A 43 8.703 6.176 7.161 1.00 0.00 C ATOM 717 CD GLU A 43 10.217 5.939 7.195 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.907 6.811 7.758 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.662 4.871 6.698 1.00 0.00 O ATOM 0 H GLU A 43 7.052 9.794 7.270 1.00 0.00 H new ATOM 0 HA GLU A 43 6.571 7.470 5.607 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.853 8.012 6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.579 8.259 7.738 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.277 5.866 8.115 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.264 5.538 6.394 1.00 0.00 H new ATOM 726 N GLU A 44 5.854 7.463 8.849 1.00 0.00 N ATOM 727 CA GLU A 44 5.345 6.679 9.970 1.00 0.00 C ATOM 728 C GLU A 44 3.947 6.147 9.661 1.00 0.00 C ATOM 729 O GLU A 44 3.725 4.943 9.691 1.00 0.00 O ATOM 730 CB GLU A 44 5.373 7.501 11.266 1.00 0.00 C ATOM 731 CG GLU A 44 5.238 6.590 12.491 1.00 0.00 C ATOM 732 CD GLU A 44 5.221 7.408 13.774 1.00 0.00 C ATOM 733 OE1 GLU A 44 4.165 8.022 14.035 1.00 0.00 O ATOM 734 OE2 GLU A 44 6.274 7.430 14.445 1.00 0.00 O ATOM 0 H GLU A 44 6.143 8.405 9.112 1.00 0.00 H new ATOM 0 HA GLU A 44 5.997 5.818 10.120 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.305 8.063 11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.562 8.229 11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.321 6.005 12.415 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.067 5.882 12.517 1.00 0.00 H new ATOM 741 N VAL A 45 3.037 7.042 9.278 1.00 0.00 N ATOM 742 CA VAL A 45 1.696 6.714 8.817 1.00 0.00 C ATOM 743 C VAL A 45 1.676 5.552 7.809 1.00 0.00 C ATOM 744 O VAL A 45 0.726 4.781 7.789 1.00 0.00 O ATOM 745 CB VAL A 45 1.014 7.982 8.268 1.00 0.00 C ATOM 746 CG1 VAL A 45 0.397 8.799 9.409 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.968 8.879 7.467 1.00 0.00 C ATOM 0 H VAL A 45 3.222 8.045 9.282 1.00 0.00 H new ATOM 0 HA VAL A 45 1.123 6.354 9.671 1.00 0.00 H new ATOM 0 HB VAL A 45 0.236 7.636 7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.080 9.690 9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.347 8.195 9.928 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.178 9.094 10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.428 9.755 7.108 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.791 9.197 8.107 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.363 8.322 6.617 1.00 0.00 H new ATOM 757 N LEU A 46 2.707 5.384 6.980 1.00 0.00 N ATOM 758 CA LEU A 46 2.772 4.293 6.010 1.00 0.00 C ATOM 759 C LEU A 46 3.341 3.051 6.680 1.00 0.00 C ATOM 760 O LEU A 46 2.844 1.943 6.476 1.00 0.00 O ATOM 761 CB LEU A 46 3.579 4.688 4.760 1.00 0.00 C ATOM 762 CG LEU A 46 3.424 6.174 4.419 1.00 0.00 C ATOM 763 CD1 LEU A 46 4.262 6.585 3.200 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.958 6.611 4.270 1.00 0.00 C ATOM 0 H LEU A 46 3.519 6.001 6.963 1.00 0.00 H new ATOM 0 HA LEU A 46 1.762 4.072 5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.633 4.462 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.251 4.086 3.912 1.00 0.00 H new ATOM 0 HG LEU A 46 3.819 6.712 5.280 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.117 7.647 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 46 5.316 6.394 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.949 6.006 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.918 7.673 4.029 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.487 6.039 3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.428 6.431 5.205 1.00 0.00 H new ATOM 776 N ARG A 47 4.381 3.238 7.496 1.00 0.00 N ATOM 777 CA ARG A 47 4.990 2.143 8.235 1.00 0.00 C ATOM 778 C ARG A 47 4.128 1.609 9.384 1.00 0.00 C ATOM 779 O ARG A 47 4.425 0.530 9.896 1.00 0.00 O ATOM 780 CB ARG A 47 6.403 2.534 8.696 1.00 0.00 C ATOM 781 CG ARG A 47 7.435 1.890 7.763 1.00 0.00 C ATOM 782 CD ARG A 47 8.883 2.138 8.206 1.00 0.00 C ATOM 783 NE ARG A 47 9.544 0.882 8.614 1.00 0.00 N ATOM 784 CZ ARG A 47 9.485 0.318 9.832 1.00 0.00 C ATOM 785 NH1 ARG A 47 8.781 0.899 10.805 1.00 0.00 N ATOM 786 NH2 ARG A 47 10.130 -0.832 10.066 1.00 0.00 N ATOM 0 H ARG A 47 4.817 4.146 7.658 1.00 0.00 H new ATOM 0 HA ARG A 47 5.069 1.303 7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.514 3.618 8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.568 2.205 9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.254 0.816 7.717 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.298 2.280 6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.441 2.596 7.390 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.895 2.844 9.036 1.00 0.00 H new ATOM 0 HE ARG A 47 10.096 0.398 7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.286 1.773 10.625 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.737 0.469 11.729 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.665 -1.278 9.320 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.087 -1.262 10.990 1.00 0.00 H new ATOM 800 N GLU A 48 3.083 2.344 9.769 1.00 0.00 N ATOM 801 CA GLU A 48 2.175 2.067 10.868 1.00 0.00 C ATOM 802 C GLU A 48 1.773 0.597 10.894 1.00 0.00 C ATOM 803 O GLU A 48 2.150 -0.163 11.785 1.00 0.00 O ATOM 804 CB GLU A 48 0.952 2.992 10.709 1.00 0.00 C ATOM 805 CG GLU A 48 0.933 4.149 11.712 1.00 0.00 C ATOM 806 CD GLU A 48 0.481 3.660 13.079 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.751 3.650 13.287 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.367 3.262 13.864 1.00 0.00 O ATOM 0 H GLU A 48 2.838 3.207 9.283 1.00 0.00 H new ATOM 0 HA GLU A 48 2.664 2.264 11.822 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.941 3.397 9.697 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.042 2.403 10.827 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.927 4.590 11.787 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.263 4.933 11.360 1.00 0.00 H new ATOM 815 N GLN A 49 1.021 0.198 9.871 1.00 0.00 N ATOM 816 CA GLN A 49 0.604 -1.175 9.699 1.00 0.00 C ATOM 817 C GLN A 49 1.622 -1.827 8.783 1.00 0.00 C ATOM 818 O GLN A 49 2.406 -2.660 9.233 1.00 0.00 O ATOM 819 CB GLN A 49 -0.821 -1.221 9.130 1.00 0.00 C ATOM 820 CG GLN A 49 -1.855 -0.962 10.235 1.00 0.00 C ATOM 821 CD GLN A 49 -1.991 -2.167 11.164 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.393 -2.213 12.232 1.00 0.00 O ATOM 823 NE2 GLN A 49 -2.760 -3.170 10.752 1.00 0.00 N ATOM 0 H GLN A 49 0.687 0.826 9.140 1.00 0.00 H new ATOM 0 HA GLN A 49 0.569 -1.717 10.644 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.928 -0.475 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.005 -2.194 8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.560 -0.086 10.813 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.822 -0.736 9.785 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.247 -3.105 9.858 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.863 -4.004 11.330 1.00 0.00 H new ATOM 832 N ALA A 50 1.611 -1.410 7.516 1.00 0.00 N ATOM 833 CA ALA A 50 2.328 -2.047 6.420 1.00 0.00 C ATOM 834 C ALA A 50 1.952 -3.534 6.254 1.00 0.00 C ATOM 835 O ALA A 50 1.484 -4.189 7.181 1.00 0.00 O ATOM 836 CB ALA A 50 3.829 -1.788 6.569 1.00 0.00 C ATOM 0 H ALA A 50 1.083 -0.590 7.218 1.00 0.00 H new ATOM 0 HA ALA A 50 2.018 -1.594 5.478 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.364 -2.265 5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.017 -0.714 6.549 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.177 -2.199 7.517 1.00 0.00 H new ATOM 842 N GLY A 51 2.110 -4.062 5.039 1.00 0.00 N ATOM 843 CA GLY A 51 1.766 -5.432 4.679 1.00 0.00 C ATOM 844 C GLY A 51 0.346 -5.814 5.108 1.00 0.00 C ATOM 845 O GLY A 51 0.130 -6.820 5.786 1.00 0.00 O ATOM 0 H GLY A 51 2.492 -3.529 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.861 -5.555 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.478 -6.115 5.142 1.00 0.00 H new ATOM 849 N GLY A 52 -0.651 -5.018 4.716 1.00 0.00 N ATOM 850 CA GLY A 52 -2.022 -5.267 5.100 1.00 0.00 C ATOM 851 C GLY A 52 -2.911 -4.142 4.594 1.00 0.00 C ATOM 852 O GLY A 52 -2.432 -3.189 3.964 1.00 0.00 O ATOM 0 H GLY A 52 -0.522 -4.193 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.357 -6.220 4.690 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.097 -5.343 6.185 1.00 0.00 H new ATOM 856 N ASP A 53 -4.205 -4.298 4.867 1.00 0.00 N ATOM 857 CA ASP A 53 -5.317 -3.448 4.475 1.00 0.00 C ATOM 858 C ASP A 53 -5.200 -2.067 5.114 1.00 0.00 C ATOM 859 O ASP A 53 -5.983 -1.704 5.991 1.00 0.00 O ATOM 860 CB ASP A 53 -6.653 -4.113 4.885 1.00 0.00 C ATOM 861 CG ASP A 53 -6.783 -5.601 4.578 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.850 -6.342 4.961 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.835 -5.975 4.018 1.00 0.00 O ATOM 0 H ASP A 53 -4.525 -5.095 5.417 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.293 -3.324 3.392 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.793 -3.970 5.957 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.466 -3.587 4.385 1.00 0.00 H new ATOM 868 N ALA A 54 -4.262 -1.248 4.638 1.00 0.00 N ATOM 869 CA ALA A 54 -4.129 0.100 5.168 1.00 0.00 C ATOM 870 C ALA A 54 -5.267 1.003 4.678 1.00 0.00 C ATOM 871 O ALA A 54 -5.358 2.154 5.110 1.00 0.00 O ATOM 872 CB ALA A 54 -2.756 0.666 4.829 1.00 0.00 C ATOM 0 H ALA A 54 -3.598 -1.491 3.902 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.210 0.060 6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.669 1.675 5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.984 0.033 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.632 0.695 3.747 1.00 0.00 H new ATOM 878 N THR A 55 -6.143 0.489 3.798 1.00 0.00 N ATOM 879 CA THR A 55 -7.351 1.172 3.367 1.00 0.00 C ATOM 880 C THR A 55 -8.056 1.843 4.532 1.00 0.00 C ATOM 881 O THR A 55 -8.399 3.012 4.421 1.00 0.00 O ATOM 882 CB THR A 55 -8.318 0.210 2.657 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.718 -0.222 1.465 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.617 0.919 2.264 1.00 0.00 C ATOM 0 H THR A 55 -6.020 -0.427 3.366 1.00 0.00 H new ATOM 0 HA THR A 55 -7.043 1.941 2.658 1.00 0.00 H new ATOM 0 HB THR A 55 -8.538 -0.613 3.337 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.620 -1.197 1.483 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.280 0.213 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.106 1.305 3.159 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.391 1.745 1.589 1.00 0.00 H new ATOM 892 N GLU A 56 -8.258 1.113 5.631 1.00 0.00 N ATOM 893 CA GLU A 56 -8.965 1.605 6.805 1.00 0.00 C ATOM 894 C GLU A 56 -8.465 3.011 7.179 1.00 0.00 C ATOM 895 O GLU A 56 -9.255 3.923 7.401 1.00 0.00 O ATOM 896 CB GLU A 56 -8.785 0.575 7.939 1.00 0.00 C ATOM 897 CG GLU A 56 -9.964 0.501 8.927 1.00 0.00 C ATOM 898 CD GLU A 56 -10.696 -0.848 8.886 1.00 0.00 C ATOM 899 OE1 GLU A 56 -10.006 -1.897 8.849 1.00 0.00 O ATOM 900 OE2 GLU A 56 -11.944 -0.807 8.864 1.00 0.00 O ATOM 0 H GLU A 56 -7.929 0.152 5.727 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.032 1.711 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.635 -0.410 7.497 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.878 0.818 8.493 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.596 0.678 9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.671 1.299 8.701 1.00 0.00 H new ATOM 907 N ASN A 57 -7.141 3.197 7.168 1.00 0.00 N ATOM 908 CA ASN A 57 -6.482 4.442 7.547 1.00 0.00 C ATOM 909 C ASN A 57 -6.450 5.432 6.370 1.00 0.00 C ATOM 910 O ASN A 57 -6.772 6.609 6.507 1.00 0.00 O ATOM 911 CB ASN A 57 -5.077 4.089 8.051 1.00 0.00 C ATOM 912 CG ASN A 57 -4.484 5.172 8.948 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.584 6.359 8.663 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.833 4.769 10.035 1.00 0.00 N ATOM 0 H ASN A 57 -6.486 2.466 6.888 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.035 4.944 8.341 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.118 3.149 8.602 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.419 3.929 7.197 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.402 5.455 10.655 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.765 3.774 10.249 1.00 0.00 H new ATOM 921 N PHE A 58 -6.086 4.955 5.177 1.00 0.00 N ATOM 922 CA PHE A 58 -6.065 5.767 3.959 1.00 0.00 C ATOM 923 C PHE A 58 -7.423 6.456 3.691 1.00 0.00 C ATOM 924 O PHE A 58 -7.463 7.636 3.319 1.00 0.00 O ATOM 925 CB PHE A 58 -5.565 4.886 2.800 1.00 0.00 C ATOM 926 CG PHE A 58 -5.987 5.291 1.403 1.00 0.00 C ATOM 927 CD1 PHE A 58 -5.258 6.247 0.673 1.00 0.00 C ATOM 928 CD2 PHE A 58 -7.122 4.696 0.828 1.00 0.00 C ATOM 929 CE1 PHE A 58 -5.732 6.685 -0.576 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.636 5.181 -0.385 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.956 6.200 -1.072 1.00 0.00 C ATOM 0 H PHE A 58 -5.796 3.988 5.029 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.371 6.600 4.074 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.476 4.867 2.834 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.908 3.866 2.976 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.336 6.644 1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.601 3.863 1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.157 7.393 -1.154 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.551 4.772 -0.788 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.372 6.611 -1.980 1.00 0.00 H new ATOM 941 N GLU A 59 -8.520 5.718 3.902 1.00 0.00 N ATOM 942 CA GLU A 59 -9.901 6.159 3.728 1.00 0.00 C ATOM 943 C GLU A 59 -10.405 6.960 4.929 1.00 0.00 C ATOM 944 O GLU A 59 -11.286 7.796 4.753 1.00 0.00 O ATOM 945 CB GLU A 59 -10.834 4.960 3.505 1.00 0.00 C ATOM 946 CG GLU A 59 -10.773 4.413 2.073 1.00 0.00 C ATOM 947 CD GLU A 59 -11.417 5.338 1.043 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.664 5.405 1.048 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.658 5.951 0.260 1.00 0.00 O ATOM 0 H GLU A 59 -8.460 4.749 4.214 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.911 6.805 2.850 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.570 4.166 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.858 5.256 3.732 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.731 4.246 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.270 3.443 2.041 1.00 0.00 H new ATOM 956 N ASP A 60 -9.870 6.714 6.133 1.00 0.00 N ATOM 957 CA ASP A 60 -10.169 7.530 7.312 1.00 0.00 C ATOM 958 C ASP A 60 -10.033 9.008 6.938 1.00 0.00 C ATOM 959 O ASP A 60 -10.942 9.816 7.122 1.00 0.00 O ATOM 960 CB ASP A 60 -9.212 7.167 8.459 1.00 0.00 C ATOM 961 CG ASP A 60 -9.571 7.820 9.788 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.691 8.364 9.893 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.711 7.756 10.691 1.00 0.00 O ATOM 0 H ASP A 60 -9.222 5.948 6.314 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.188 7.338 7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.206 6.084 8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.200 7.461 8.182 1.00 0.00 H new ATOM 968 N VAL A 61 -8.898 9.330 6.314 1.00 0.00 N ATOM 969 CA VAL A 61 -8.692 10.619 5.673 1.00 0.00 C ATOM 970 C VAL A 61 -9.536 10.737 4.399 1.00 0.00 C ATOM 971 O VAL A 61 -10.231 11.735 4.225 1.00 0.00 O ATOM 972 CB VAL A 61 -7.190 10.853 5.455 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.921 12.072 4.560 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.498 11.062 6.808 1.00 0.00 C ATOM 0 H VAL A 61 -8.099 8.700 6.242 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.041 11.421 6.323 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.791 9.971 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.846 12.200 4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.386 11.918 3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.340 12.964 5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.432 11.228 6.650 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.930 11.929 7.307 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.639 10.178 7.429 1.00 0.00 H new ATOM 984 N GLY A 62 -9.471 9.755 3.492 1.00 0.00 N ATOM 985 CA GLY A 62 -10.217 9.841 2.240 1.00 0.00 C ATOM 986 C GLY A 62 -9.482 10.803 1.317 1.00 0.00 C ATOM 987 O GLY A 62 -9.941 11.906 1.028 1.00 0.00 O ATOM 0 H GLY A 62 -8.917 8.906 3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.299 8.857 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.232 10.192 2.425 1.00 0.00 H new ATOM 991 N HIS A 63 -8.292 10.369 0.911 1.00 0.00 N ATOM 992 CA HIS A 63 -7.296 11.162 0.212 1.00 0.00 C ATOM 993 C HIS A 63 -7.816 11.887 -1.038 1.00 0.00 C ATOM 994 O HIS A 63 -8.718 11.413 -1.729 1.00 0.00 O ATOM 995 CB HIS A 63 -6.179 10.215 -0.211 1.00 0.00 C ATOM 996 CG HIS A 63 -5.153 9.889 0.840 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.329 9.190 2.016 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.818 10.149 0.706 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.107 9.042 2.565 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.149 9.594 1.790 1.00 0.00 N ATOM 0 H HIS A 63 -7.986 9.409 1.070 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.968 11.943 0.898 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.630 9.283 -0.551 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.666 10.651 -1.068 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.213 8.851 2.396 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.360 10.694 -0.106 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.918 8.545 3.505 1.00 0.00 H new ATOM 1008 N SER A 64 -7.166 13.008 -1.368 1.00 0.00 N ATOM 1009 CA SER A 64 -7.431 13.811 -2.548 1.00 0.00 C ATOM 1010 C SER A 64 -7.204 13.039 -3.853 1.00 0.00 C ATOM 1011 O SER A 64 -6.476 12.046 -3.911 1.00 0.00 O ATOM 1012 CB SER A 64 -6.523 15.043 -2.497 1.00 0.00 C ATOM 1013 OG SER A 64 -6.595 15.621 -1.210 1.00 0.00 O ATOM 0 H SER A 64 -6.414 13.388 -0.793 1.00 0.00 H new ATOM 0 HA SER A 64 -8.483 14.098 -2.542 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.495 14.761 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.830 15.767 -3.252 1.00 0.00 H new ATOM 0 HG SER A 64 -6.014 16.409 -1.172 1.00 0.00 H new ATOM 1019 N THR A 65 -7.809 13.540 -4.934 1.00 0.00 N ATOM 1020 CA THR A 65 -7.715 12.923 -6.253 1.00 0.00 C ATOM 1021 C THR A 65 -6.248 12.816 -6.701 1.00 0.00 C ATOM 1022 O THR A 65 -5.838 11.789 -7.239 1.00 0.00 O ATOM 1023 CB THR A 65 -8.650 13.649 -7.244 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.250 12.719 -8.120 1.00 0.00 O ATOM 1025 CG2 THR A 65 -7.976 14.746 -8.075 1.00 0.00 C ATOM 0 H THR A 65 -8.378 14.386 -4.915 1.00 0.00 H new ATOM 0 HA THR A 65 -8.070 11.893 -6.216 1.00 0.00 H new ATOM 0 HB THR A 65 -9.394 14.144 -6.620 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.842 13.191 -8.743 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.709 15.200 -8.742 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.570 15.508 -7.410 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.169 14.312 -8.665 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.450 13.851 -6.405 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.006 13.877 -6.615 1.00 0.00 C ATOM 1035 C ASP A 66 -3.352 12.618 -6.047 1.00 0.00 C ATOM 1036 O ASP A 66 -2.555 11.956 -6.702 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.411 15.134 -5.950 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.200 16.279 -6.934 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -4.095 16.469 -7.785 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.159 16.955 -6.797 1.00 0.00 O ATOM 0 H ASP A 66 -5.808 14.717 -6.001 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.807 13.907 -7.686 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.074 15.465 -5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.458 14.878 -5.487 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.690 12.252 -4.813 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.133 11.047 -4.233 1.00 0.00 C ATOM 1047 C ALA A 67 -3.658 9.817 -4.963 1.00 0.00 C ATOM 1048 O ALA A 67 -2.876 8.914 -5.249 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.461 10.979 -2.755 1.00 0.00 C ATOM 0 H ALA A 67 -4.334 12.765 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.049 11.070 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.037 10.069 -2.330 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.039 11.847 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.543 10.972 -2.622 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.961 9.751 -5.265 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.503 8.611 -6.003 1.00 0.00 C ATOM 1057 C ARG A 68 -4.731 8.379 -7.306 1.00 0.00 C ATOM 1058 O ARG A 68 -4.298 7.254 -7.562 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.004 8.754 -6.283 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.848 8.788 -5.000 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.994 7.764 -5.041 1.00 0.00 C ATOM 1062 NE ARG A 68 -8.524 6.405 -4.715 1.00 0.00 N ATOM 1063 CZ ARG A 68 -9.314 5.319 -4.645 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -10.567 5.378 -5.112 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -8.851 4.181 -4.113 1.00 0.00 N ATOM 0 H ARG A 68 -5.647 10.463 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.377 7.737 -5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.178 9.668 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.333 7.923 -6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.210 8.585 -4.140 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.259 9.788 -4.862 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.771 8.059 -4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.447 7.764 -6.033 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.529 6.280 -4.529 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -10.919 6.244 -5.519 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.170 4.557 -5.061 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.896 4.135 -3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.454 3.360 -4.062 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.545 9.419 -8.126 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.807 9.261 -9.371 1.00 0.00 C ATOM 1081 C GLU A 69 -2.340 8.904 -9.085 1.00 0.00 C ATOM 1082 O GLU A 69 -1.787 8.007 -9.719 1.00 0.00 O ATOM 1083 CB GLU A 69 -4.052 10.437 -10.332 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.241 11.695 -10.028 1.00 0.00 C ATOM 1085 CD GLU A 69 -1.946 11.744 -10.829 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -2.055 12.000 -12.047 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -0.884 11.485 -10.225 1.00 0.00 O ATOM 0 H GLU A 69 -4.891 10.362 -7.949 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.192 8.406 -9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.824 10.112 -11.347 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.112 10.691 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.841 12.577 -10.253 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.011 11.730 -8.963 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.735 9.507 -8.057 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.357 9.203 -7.699 1.00 0.00 C ATOM 1096 C LEU A 70 -0.202 7.734 -7.291 1.00 0.00 C ATOM 1097 O LEU A 70 0.792 7.096 -7.632 1.00 0.00 O ATOM 1098 CB LEU A 70 0.114 10.150 -6.589 1.00 0.00 C ATOM 1099 CG LEU A 70 1.643 10.238 -6.484 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.216 11.109 -7.611 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.017 10.869 -5.138 1.00 0.00 C ATOM 0 H LEU A 70 -2.181 10.206 -7.463 1.00 0.00 H new ATOM 0 HA LEU A 70 0.275 9.358 -8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.290 11.146 -6.773 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.291 9.813 -5.635 1.00 0.00 H new ATOM 0 HG LEU A 70 2.056 9.233 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.301 11.158 -7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.954 10.674 -8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.800 12.114 -7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.102 10.935 -5.056 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.587 11.868 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.629 10.253 -4.327 1.00 0.00 H new ATOM 1113 N SER A 71 -1.192 7.176 -6.583 1.00 0.00 N ATOM 1114 CA SER A 71 -1.226 5.769 -6.202 1.00 0.00 C ATOM 1115 C SER A 71 -0.877 4.894 -7.404 1.00 0.00 C ATOM 1116 O SER A 71 -0.025 4.019 -7.306 1.00 0.00 O ATOM 1117 CB SER A 71 -2.601 5.365 -5.649 1.00 0.00 C ATOM 1118 OG SER A 71 -3.104 6.272 -4.691 1.00 0.00 O ATOM 0 H SER A 71 -2.002 7.703 -6.256 1.00 0.00 H new ATOM 0 HA SER A 71 -0.489 5.621 -5.413 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.309 5.289 -6.474 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.528 4.375 -5.199 1.00 0.00 H new ATOM 0 HG SER A 71 -3.110 7.176 -5.068 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.517 5.147 -8.549 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.270 4.421 -9.789 1.00 0.00 C ATOM 1126 C LYS A 72 0.235 4.323 -10.087 1.00 0.00 C ATOM 1127 O LYS A 72 0.730 3.241 -10.384 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.051 5.082 -10.937 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.177 4.225 -11.527 1.00 0.00 C ATOM 1130 CD LYS A 72 -2.669 3.148 -12.496 1.00 0.00 C ATOM 1131 CE LYS A 72 -3.804 2.710 -13.444 1.00 0.00 C ATOM 1132 NZ LYS A 72 -3.999 1.246 -13.482 1.00 0.00 N ATOM 0 H LYS A 72 -2.229 5.872 -8.638 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.628 3.397 -9.682 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.477 6.018 -10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.352 5.337 -11.734 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.724 3.746 -10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.882 4.872 -12.049 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.830 3.535 -13.075 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.300 2.289 -11.936 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.734 3.186 -13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.586 3.067 -14.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.774 1.016 -14.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.124 0.788 -13.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.236 0.903 -12.529 1.00 0.00 H new ATOM 1146 N THR A 73 0.980 5.421 -9.955 1.00 0.00 N ATOM 1147 CA THR A 73 2.427 5.441 -10.165 1.00 0.00 C ATOM 1148 C THR A 73 3.182 4.504 -9.207 1.00 0.00 C ATOM 1149 O THR A 73 4.278 4.057 -9.538 1.00 0.00 O ATOM 1150 CB THR A 73 2.919 6.904 -10.129 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.767 7.466 -11.417 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.366 7.096 -9.672 1.00 0.00 C ATOM 0 H THR A 73 0.592 6.329 -9.697 1.00 0.00 H new ATOM 0 HA THR A 73 2.652 5.035 -11.151 1.00 0.00 H new ATOM 0 HB THR A 73 2.306 7.404 -9.379 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.075 8.396 -11.406 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.613 8.158 -9.682 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.483 6.706 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.035 6.562 -10.347 1.00 0.00 H new ATOM 1160 N TYR A 74 2.612 4.183 -8.043 1.00 0.00 N ATOM 1161 CA TYR A 74 3.208 3.284 -7.059 1.00 0.00 C ATOM 1162 C TYR A 74 2.609 1.878 -7.128 1.00 0.00 C ATOM 1163 O TYR A 74 2.989 1.002 -6.346 1.00 0.00 O ATOM 1164 CB TYR A 74 3.007 3.881 -5.663 1.00 0.00 C ATOM 1165 CG TYR A 74 3.877 5.093 -5.402 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.276 4.954 -5.435 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.307 6.368 -5.220 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.096 6.091 -5.426 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.135 7.500 -5.139 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.524 7.366 -5.300 1.00 0.00 C ATOM 1171 OH TYR A 74 6.335 8.458 -5.346 1.00 0.00 O ATOM 0 H TYR A 74 1.705 4.550 -7.755 1.00 0.00 H new ATOM 0 HA TYR A 74 4.271 3.185 -7.279 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.960 4.160 -5.541 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.223 3.119 -4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.719 3.970 -5.467 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.235 6.475 -5.143 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.167 5.986 -5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.704 8.473 -4.953 1.00 0.00 H new ATOM 0 HH TYR A 74 6.230 8.978 -4.522 1.00 0.00 H new ATOM 1181 N ILE A 75 1.646 1.660 -8.024 1.00 0.00 N ATOM 1182 CA ILE A 75 0.961 0.387 -8.117 1.00 0.00 C ATOM 1183 C ILE A 75 1.946 -0.661 -8.614 1.00 0.00 C ATOM 1184 O ILE A 75 2.718 -0.402 -9.536 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.293 0.520 -8.995 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.390 -0.452 -8.524 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.009 0.273 -10.489 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.767 -0.013 -9.027 1.00 0.00 C ATOM 0 H ILE A 75 1.327 2.358 -8.696 1.00 0.00 H new ATOM 0 HA ILE A 75 0.604 0.063 -7.139 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.631 1.551 -8.887 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.170 -1.456 -8.886 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.395 -0.500 -7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.933 0.381 -11.058 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.723 0.998 -10.845 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.384 -0.735 -10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.523 -0.717 -8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.994 0.982 -8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.766 0.010 -10.117 1.00 0.00 H new ATOM 1200 N ILE A 76 1.924 -1.839 -7.997 1.00 0.00 N ATOM 1201 CA ILE A 76 2.727 -2.963 -8.453 1.00 0.00 C ATOM 1202 C ILE A 76 1.818 -4.100 -8.903 1.00 0.00 C ATOM 1203 O ILE A 76 2.098 -4.748 -9.910 1.00 0.00 O ATOM 1204 CB ILE A 76 3.758 -3.356 -7.382 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.101 -3.616 -6.016 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.783 -2.214 -7.262 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.042 -4.304 -5.032 1.00 0.00 C ATOM 0 H ILE A 76 1.354 -2.038 -7.175 1.00 0.00 H new ATOM 0 HA ILE A 76 3.313 -2.682 -9.328 1.00 0.00 H new ATOM 0 HB ILE A 76 4.242 -4.285 -7.684 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.767 -2.669 -5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.213 -4.233 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.526 -2.470 -6.507 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.277 -2.066 -8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.272 -1.296 -6.972 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.526 -4.463 -4.085 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.356 -5.265 -5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.918 -3.677 -4.867 1.00 0.00 H new ATOM 1219 N GLY A 77 0.711 -4.328 -8.194 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.237 -5.356 -8.556 1.00 0.00 C ATOM 1221 C GLY A 77 -1.445 -5.285 -7.634 1.00 0.00 C ATOM 1222 O GLY A 77 -1.748 -4.213 -7.113 1.00 0.00 O ATOM 0 H GLY A 77 0.457 -3.802 -7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.550 -5.227 -9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.231 -6.338 -8.484 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.114 -6.418 -7.412 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.402 -6.500 -6.736 1.00 0.00 C ATOM 1228 C GLU A 78 -3.451 -7.751 -5.857 1.00 0.00 C ATOM 1229 O GLU A 78 -2.498 -8.525 -5.826 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.513 -6.495 -7.800 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.792 -5.083 -8.337 1.00 0.00 C ATOM 1232 CD GLU A 78 -4.606 -4.977 -9.840 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -3.440 -4.793 -10.245 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.633 -5.068 -10.547 1.00 0.00 O ATOM 0 H GLU A 78 -1.761 -7.328 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.549 -5.643 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.227 -7.146 -8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.427 -6.907 -7.371 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.812 -4.797 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.128 -4.374 -7.843 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.549 -7.942 -5.123 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.719 -9.124 -4.289 1.00 0.00 C ATOM 1243 C LEU A 79 -5.138 -10.327 -5.138 1.00 0.00 C ATOM 1244 O LEU A 79 -6.044 -10.222 -5.966 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.725 -8.861 -3.164 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.089 -8.207 -1.924 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.214 -7.908 -0.927 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.045 -9.115 -1.254 1.00 0.00 C ATOM 0 H LEU A 79 -5.333 -7.290 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.760 -9.357 -3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.520 -8.217 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.189 -9.803 -2.872 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.571 -7.300 -2.235 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.795 -7.443 -0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.935 -7.231 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.713 -8.837 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.626 -8.608 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.520 -10.044 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.248 -9.338 -1.963 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.451 -11.456 -4.943 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.615 -12.690 -5.698 1.00 0.00 C ATOM 1262 C HIS A 80 -6.088 -13.099 -5.810 1.00 0.00 C ATOM 1263 O HIS A 80 -6.806 -13.063 -4.809 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.793 -13.796 -5.020 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.394 -14.922 -5.933 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.854 -16.218 -5.886 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.460 -14.845 -6.931 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.228 -16.898 -6.863 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.377 -16.102 -7.532 1.00 0.00 N ATOM 0 H HIS A 80 -3.735 -11.533 -4.221 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.256 -12.530 -6.715 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.893 -13.353 -4.594 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.370 -14.204 -4.191 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.890 -13.969 -7.204 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.388 -17.944 -7.081 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.788 -16.364 -8.322 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.549 -13.517 -7.003 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.955 -13.788 -7.242 1.00 0.00 C ATOM 1279 C PRO A 81 -8.510 -14.880 -6.323 1.00 0.00 C ATOM 1280 O PRO A 81 -9.700 -14.852 -6.013 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.096 -14.103 -8.733 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.685 -14.487 -9.175 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.772 -13.730 -8.213 1.00 0.00 C ATOM 0 HA PRO A 81 -8.565 -12.919 -6.993 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.801 -14.917 -8.902 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.466 -13.241 -9.288 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.527 -15.563 -9.110 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.500 -14.199 -10.210 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.869 -14.303 -8.001 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.453 -12.781 -8.644 1.00 0.00 H new