USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 699 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 67 MET CE :methyl -146:sc= -4.5! (180deg=0) USER MOD Set 1.2: A 82 LYS NZ :NH3+ -116:sc= -3.89! (180deg=0) USER MOD Set 2.1: A 66 HIS : no HE2:sc= -24.2! C(o=-27!,f=-33!) USER MOD Set 2.2: A 88 MET CE :methyl -172:sc= -2.73! (180deg=-2.94!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -115:sc= -2.41! (180deg=-6.41!) USER MOD Set 3.2: A 24 SER OG : rot -30:sc= -0.922 USER MOD Single : A 12 LYS NZ :NH3+ -178:sc= 0.125 (180deg=0.124) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.639 K(o=-0.64,f=-5.7!) USER MOD Single : A 19 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.4!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 28:sc= -0.695 USER MOD Single : A 46 ASN : amide:sc= -15.7! C(o=-16!,f=-8.6!) USER MOD Single : A 49 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.049) USER MOD Single : A 51 THR OG1 : rot -160:sc= -0.546 USER MOD Single : A 54 THR OG1 : rot -84:sc= 1.15 USER MOD Single : A 57 HIS : no HD1:sc= -4! C(o=-4!,f=-4.4!) USER MOD Single : A 60 GLN : amide:sc= -7.6! C(o=-7.6!,f=-3.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 156:sc= 0.163 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -3.54! C(o=-3.5!,f=-2.3!) USER MOD Single : A 78 MET CE :methyl 172:sc= -4.49! (180deg=-5.31!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= -8.57! (180deg=-8.9!) USER MOD Single : A 90 MET CE :methyl -158:sc= -12.6! (180deg=-16.8!) USER MOD Single : A 92 SER OG : rot 131:sc= -1.77 USER MOD Single : A 94 THR OG1 : rot 15:sc= 0.611! USER MOD Single : A 99 ASN : amide:sc= -9.08! C(o=-9.1!,f=-24!) USER MOD Single : A 105 SER OG : rot 180:sc=-0.00377 USER MOD ----------------------------------------------------------------- ATOM 77 N LEU A 5 10.996 -3.134 -3.074 1.00 0.00 N ATOM 78 CA LEU A 5 11.722 -3.556 -4.255 1.00 0.00 C ATOM 79 C LEU A 5 12.997 -2.735 -4.399 1.00 0.00 C ATOM 80 O LEU A 5 12.992 -1.531 -4.153 1.00 0.00 O ATOM 81 CB LEU A 5 10.832 -3.393 -5.484 1.00 0.00 C ATOM 82 CG LEU A 5 9.976 -4.643 -5.661 1.00 0.00 C ATOM 83 CD1 LEU A 5 10.872 -5.878 -5.661 1.00 0.00 C ATOM 84 CD2 LEU A 5 8.975 -4.740 -4.512 1.00 0.00 C ATOM 0 HA LEU A 5 11.999 -4.606 -4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 5 10.195 -2.516 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 5 11.444 -3.230 -6.371 1.00 0.00 H new ATOM 0 HG LEU A 5 9.439 -4.585 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 5 10.260 -6.771 -5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 5 11.587 -5.809 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 5 11.410 -5.937 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 5 8.363 -5.633 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.512 -4.798 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.335 -3.858 -4.512 1.00 0.00 H new ATOM 96 N CYS A 6 14.087 -3.391 -4.799 1.00 0.00 N ATOM 97 CA CYS A 6 15.361 -2.721 -4.974 1.00 0.00 C ATOM 98 C CYS A 6 16.144 -3.390 -6.095 1.00 0.00 C ATOM 99 O CYS A 6 15.871 -4.535 -6.450 1.00 0.00 O ATOM 100 CB CYS A 6 16.144 -2.767 -3.665 1.00 0.00 C ATOM 101 SG CYS A 6 15.402 -1.798 -2.329 1.00 0.00 S ATOM 0 H CYS A 6 14.105 -4.389 -5.007 1.00 0.00 H new ATOM 0 HA CYS A 6 15.194 -1.678 -5.245 1.00 0.00 H new ATOM 0 HB2 CYS A 6 16.232 -3.804 -3.342 1.00 0.00 H new ATOM 0 HB3 CYS A 6 17.155 -2.403 -3.846 1.00 0.00 H new ATOM 106 N LYS A 7 17.121 -2.671 -6.655 1.00 0.00 N ATOM 107 CA LYS A 7 17.936 -3.199 -7.731 1.00 0.00 C ATOM 108 C LYS A 7 18.980 -4.154 -7.169 1.00 0.00 C ATOM 109 O LYS A 7 19.697 -3.815 -6.232 1.00 0.00 O ATOM 110 CB LYS A 7 18.604 -2.045 -8.474 1.00 0.00 C ATOM 111 CG LYS A 7 17.724 -1.618 -9.645 1.00 0.00 C ATOM 112 CD LYS A 7 18.556 -1.590 -10.924 1.00 0.00 C ATOM 113 CE LYS A 7 17.679 -1.150 -12.092 1.00 0.00 C ATOM 114 NZ LYS A 7 18.387 -0.185 -12.949 1.00 0.00 N ATOM 0 H LYS A 7 17.360 -1.720 -6.374 1.00 0.00 H new ATOM 0 HA LYS A 7 17.308 -3.751 -8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.761 -1.205 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 7 19.586 -2.351 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.889 -2.309 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 7 17.299 -0.633 -9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 7 19.397 -0.906 -10.809 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.973 -2.578 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.388 -2.020 -12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.761 -0.700 -11.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.905 0.735 -12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 19.366 -0.078 -12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 18.391 -0.530 -13.930 1.00 0.00 H new ATOM 128 N PHE A 8 19.062 -5.355 -7.748 1.00 0.00 N ATOM 129 CA PHE A 8 20.016 -6.351 -7.304 1.00 0.00 C ATOM 130 C PHE A 8 20.755 -6.929 -8.503 1.00 0.00 C ATOM 131 O PHE A 8 20.350 -7.951 -9.052 1.00 0.00 O ATOM 132 CB PHE A 8 19.282 -7.450 -6.539 1.00 0.00 C ATOM 133 CG PHE A 8 20.092 -8.043 -5.411 1.00 0.00 C ATOM 134 CD1 PHE A 8 21.047 -9.031 -5.679 1.00 0.00 C ATOM 135 CD2 PHE A 8 19.890 -7.603 -4.098 1.00 0.00 C ATOM 136 CE1 PHE A 8 21.799 -9.579 -4.633 1.00 0.00 C ATOM 137 CE2 PHE A 8 20.642 -8.151 -3.052 1.00 0.00 C ATOM 138 CZ PHE A 8 21.597 -9.139 -3.319 1.00 0.00 C ATOM 0 H PHE A 8 18.474 -5.653 -8.526 1.00 0.00 H new ATOM 0 HA PHE A 8 20.748 -5.890 -6.640 1.00 0.00 H new ATOM 0 HB2 PHE A 8 18.355 -7.043 -6.135 1.00 0.00 H new ATOM 0 HB3 PHE A 8 19.006 -8.243 -7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 8 21.204 -9.370 -6.692 1.00 0.00 H new ATOM 0 HD2 PHE A 8 19.154 -6.840 -3.892 1.00 0.00 H new ATOM 0 HE1 PHE A 8 22.535 -10.342 -4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 8 20.485 -7.811 -2.039 1.00 0.00 H new ATOM 0 HZ PHE A 8 22.178 -9.562 -2.512 1.00 0.00 H new ATOM 148 N CYS A 9 21.844 -6.271 -8.907 1.00 0.00 N ATOM 149 CA CYS A 9 22.634 -6.719 -10.036 1.00 0.00 C ATOM 150 C CYS A 9 24.102 -6.796 -9.639 1.00 0.00 C ATOM 151 O CYS A 9 24.553 -6.045 -8.776 1.00 0.00 O ATOM 152 CB CYS A 9 22.439 -5.759 -11.206 1.00 0.00 C ATOM 153 SG CYS A 9 23.723 -4.489 -11.336 1.00 0.00 S ATOM 0 H CYS A 9 22.193 -5.423 -8.461 1.00 0.00 H new ATOM 0 HA CYS A 9 22.308 -7.713 -10.342 1.00 0.00 H new ATOM 0 HB2 CYS A 9 22.414 -6.332 -12.133 1.00 0.00 H new ATOM 0 HB3 CYS A 9 21.469 -5.272 -11.106 1.00 0.00 H new ATOM 158 N ASP A 10 24.845 -7.705 -10.271 1.00 0.00 N ATOM 159 CA ASP A 10 26.256 -7.875 -9.980 1.00 0.00 C ATOM 160 C ASP A 10 27.036 -6.674 -10.496 1.00 0.00 C ATOM 161 O ASP A 10 26.514 -5.882 -11.278 1.00 0.00 O ATOM 162 CB ASP A 10 26.755 -9.163 -10.628 1.00 0.00 C ATOM 163 CG ASP A 10 25.655 -10.215 -10.666 1.00 0.00 C ATOM 164 OD1 ASP A 10 24.826 -10.136 -11.597 1.00 0.00 O ATOM 165 OD2 ASP A 10 25.665 -11.078 -9.762 1.00 0.00 O ATOM 0 H ASP A 10 24.485 -8.334 -10.989 1.00 0.00 H new ATOM 0 HA ASP A 10 26.405 -7.944 -8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.100 -8.955 -11.641 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.611 -9.546 -10.072 1.00 0.00 H new ATOM 170 N VAL A 11 28.289 -6.541 -10.056 1.00 0.00 N ATOM 171 CA VAL A 11 29.133 -5.439 -10.473 1.00 0.00 C ATOM 172 C VAL A 11 29.690 -5.716 -11.862 1.00 0.00 C ATOM 173 O VAL A 11 30.442 -6.669 -12.054 1.00 0.00 O ATOM 174 CB VAL A 11 30.262 -5.254 -9.465 1.00 0.00 C ATOM 175 CG1 VAL A 11 30.335 -6.475 -8.551 1.00 0.00 C ATOM 176 CG2 VAL A 11 31.586 -5.096 -10.207 1.00 0.00 C ATOM 0 H VAL A 11 28.736 -7.190 -9.408 1.00 0.00 H new ATOM 0 HA VAL A 11 28.547 -4.521 -10.513 1.00 0.00 H new ATOM 0 HB VAL A 11 30.071 -4.363 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 11 31.142 -6.342 -7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 11 29.390 -6.589 -8.020 1.00 0.00 H new ATOM 0 HG13 VAL A 11 30.525 -7.366 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 11 32.393 -4.964 -9.487 1.00 0.00 H new ATOM 0 HG22 VAL A 11 31.776 -5.987 -10.806 1.00 0.00 H new ATOM 0 HG23 VAL A 11 31.536 -4.224 -10.860 1.00 0.00 H new ATOM 186 N LYS A 12 29.320 -4.879 -12.834 1.00 0.00 N ATOM 187 CA LYS A 12 29.785 -5.037 -14.197 1.00 0.00 C ATOM 188 C LYS A 12 30.192 -3.686 -14.767 1.00 0.00 C ATOM 189 O LYS A 12 29.799 -2.645 -14.245 1.00 0.00 O ATOM 190 CB LYS A 12 28.679 -5.668 -15.040 1.00 0.00 C ATOM 191 CG LYS A 12 27.334 -5.457 -14.353 1.00 0.00 C ATOM 192 CD LYS A 12 26.217 -5.514 -15.391 1.00 0.00 C ATOM 193 CE LYS A 12 25.310 -6.706 -15.098 1.00 0.00 C ATOM 194 NZ LYS A 12 24.089 -6.280 -14.397 1.00 0.00 N ATOM 0 H LYS A 12 28.697 -4.084 -12.692 1.00 0.00 H new ATOM 0 HA LYS A 12 30.657 -5.691 -14.213 1.00 0.00 H new ATOM 0 HB2 LYS A 12 28.666 -5.222 -16.034 1.00 0.00 H new ATOM 0 HB3 LYS A 12 28.870 -6.733 -15.171 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.178 -6.223 -13.593 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.322 -4.494 -13.843 1.00 0.00 H new ATOM 0 HD2 LYS A 12 25.639 -4.590 -15.370 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.640 -5.603 -16.392 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.043 -7.203 -16.031 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.847 -7.435 -14.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 23.505 -7.113 -14.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 24.347 -5.797 -13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 23.550 -5.628 -15.003 1.00 0.00 H new ATOM 208 N ALA A 13 30.982 -3.704 -15.842 1.00 0.00 N ATOM 209 CA ALA A 13 31.439 -2.485 -16.476 1.00 0.00 C ATOM 210 C ALA A 13 30.252 -1.576 -16.763 1.00 0.00 C ATOM 211 O ALA A 13 29.332 -1.961 -17.481 1.00 0.00 O ATOM 212 CB ALA A 13 32.181 -2.829 -17.765 1.00 0.00 C ATOM 0 H ALA A 13 31.315 -4.559 -16.287 1.00 0.00 H new ATOM 0 HA ALA A 13 32.122 -1.958 -15.809 1.00 0.00 H new ATOM 0 HB1 ALA A 13 32.525 -1.912 -18.243 1.00 0.00 H new ATOM 0 HB2 ALA A 13 33.038 -3.461 -17.534 1.00 0.00 H new ATOM 0 HB3 ALA A 13 31.510 -3.360 -18.440 1.00 0.00 H new ATOM 218 N THR A 14 30.275 -0.367 -16.199 1.00 0.00 N ATOM 219 CA THR A 14 29.201 0.586 -16.398 1.00 0.00 C ATOM 220 C THR A 14 29.705 1.774 -17.206 1.00 0.00 C ATOM 221 O THR A 14 30.909 2.014 -17.281 1.00 0.00 O ATOM 222 CB THR A 14 28.668 1.041 -15.043 1.00 0.00 C ATOM 223 OG1 THR A 14 27.465 1.753 -15.227 1.00 0.00 O ATOM 224 CG2 THR A 14 29.696 1.946 -14.369 1.00 0.00 C ATOM 0 H THR A 14 31.030 -0.032 -15.601 1.00 0.00 H new ATOM 0 HA THR A 14 28.391 0.114 -16.953 1.00 0.00 H new ATOM 0 HB THR A 14 28.483 0.170 -14.414 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.121 2.044 -14.357 1.00 0.00 H new ATOM 0 HG21 THR A 14 29.315 2.271 -13.401 1.00 0.00 H new ATOM 0 HG22 THR A 14 30.627 1.397 -14.227 1.00 0.00 H new ATOM 0 HG23 THR A 14 29.881 2.817 -14.997 1.00 0.00 H new ATOM 232 N THR A 15 28.778 2.519 -17.811 1.00 0.00 N ATOM 233 CA THR A 15 29.133 3.676 -18.608 1.00 0.00 C ATOM 234 C THR A 15 28.619 4.943 -17.939 1.00 0.00 C ATOM 235 O THR A 15 28.417 5.960 -18.599 1.00 0.00 O ATOM 236 CB THR A 15 28.546 3.528 -20.009 1.00 0.00 C ATOM 237 OG1 THR A 15 27.144 3.411 -19.920 1.00 0.00 O ATOM 238 CG2 THR A 15 29.121 2.279 -20.671 1.00 0.00 C ATOM 0 H THR A 15 27.776 2.335 -17.759 1.00 0.00 H new ATOM 0 HA THR A 15 30.218 3.747 -18.688 1.00 0.00 H new ATOM 0 HB THR A 15 28.800 4.404 -20.605 1.00 0.00 H new ATOM 0 HG1 THR A 15 26.766 3.318 -20.819 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.702 2.172 -21.672 1.00 0.00 H new ATOM 0 HG22 THR A 15 30.205 2.369 -20.739 1.00 0.00 H new ATOM 0 HG23 THR A 15 28.867 1.402 -20.076 1.00 0.00 H new ATOM 246 N CYS A 16 28.407 4.880 -16.622 1.00 0.00 N ATOM 247 CA CYS A 16 27.919 6.017 -15.869 1.00 0.00 C ATOM 248 C CYS A 16 29.091 6.769 -15.256 1.00 0.00 C ATOM 249 O CYS A 16 30.020 6.158 -14.734 1.00 0.00 O ATOM 250 CB CYS A 16 26.959 5.534 -14.785 1.00 0.00 C ATOM 251 SG CYS A 16 25.339 6.340 -14.826 1.00 0.00 S ATOM 0 H CYS A 16 28.570 4.044 -16.061 1.00 0.00 H new ATOM 0 HA CYS A 16 27.384 6.696 -16.533 1.00 0.00 H new ATOM 0 HB2 CYS A 16 26.821 4.458 -14.889 1.00 0.00 H new ATOM 0 HB3 CYS A 16 27.414 5.704 -13.809 1.00 0.00 H new ATOM 256 N SER A 17 29.046 8.102 -15.321 1.00 0.00 N ATOM 257 CA SER A 17 30.101 8.929 -14.772 1.00 0.00 C ATOM 258 C SER A 17 29.612 9.618 -13.505 1.00 0.00 C ATOM 259 O SER A 17 28.419 9.612 -13.213 1.00 0.00 O ATOM 260 CB SER A 17 30.536 9.956 -15.813 1.00 0.00 C ATOM 261 OG SER A 17 31.434 9.355 -16.719 1.00 0.00 O ATOM 0 H SER A 17 28.283 8.625 -15.752 1.00 0.00 H new ATOM 0 HA SER A 17 30.958 8.307 -14.515 1.00 0.00 H new ATOM 0 HB2 SER A 17 29.666 10.340 -16.347 1.00 0.00 H new ATOM 0 HB3 SER A 17 31.011 10.807 -15.324 1.00 0.00 H new ATOM 0 HG SER A 17 31.713 10.014 -17.389 1.00 0.00 H new ATOM 267 N ASN A 18 30.540 10.216 -12.754 1.00 0.00 N ATOM 268 CA ASN A 18 30.199 10.907 -11.527 1.00 0.00 C ATOM 269 C ASN A 18 29.414 12.173 -11.845 1.00 0.00 C ATOM 270 O ASN A 18 29.897 13.280 -11.619 1.00 0.00 O ATOM 271 CB ASN A 18 31.476 11.242 -10.761 1.00 0.00 C ATOM 272 CG ASN A 18 32.369 12.170 -11.572 1.00 0.00 C ATOM 273 OD1 ASN A 18 32.598 11.936 -12.757 1.00 0.00 O ATOM 274 ND2 ASN A 18 32.871 13.228 -10.932 1.00 0.00 N ATOM 0 H ASN A 18 31.534 10.231 -12.983 1.00 0.00 H new ATOM 0 HA ASN A 18 29.575 10.264 -10.906 1.00 0.00 H new ATOM 0 HB2 ASN A 18 31.222 11.713 -9.812 1.00 0.00 H new ATOM 0 HB3 ASN A 18 32.016 10.324 -10.527 1.00 0.00 H new ATOM 0 HD21 ASN A 18 33.474 13.885 -11.427 1.00 0.00 H new ATOM 0 HD22 ASN A 18 32.652 13.380 -9.947 1.00 0.00 H new ATOM 281 N GLN A 19 28.199 12.005 -12.371 1.00 0.00 N ATOM 282 CA GLN A 19 27.354 13.130 -12.718 1.00 0.00 C ATOM 283 C GLN A 19 26.255 13.291 -11.677 1.00 0.00 C ATOM 284 O GLN A 19 25.939 12.349 -10.954 1.00 0.00 O ATOM 285 CB GLN A 19 26.758 12.908 -14.105 1.00 0.00 C ATOM 286 CG GLN A 19 27.793 12.238 -15.003 1.00 0.00 C ATOM 287 CD GLN A 19 28.825 13.246 -15.489 1.00 0.00 C ATOM 288 OE1 GLN A 19 30.017 13.090 -15.236 1.00 0.00 O ATOM 289 NE2 GLN A 19 28.362 14.285 -16.190 1.00 0.00 N ATOM 0 H GLN A 19 27.784 11.093 -12.563 1.00 0.00 H new ATOM 0 HA GLN A 19 27.947 14.044 -12.734 1.00 0.00 H new ATOM 0 HB2 GLN A 19 25.866 12.286 -14.034 1.00 0.00 H new ATOM 0 HB3 GLN A 19 26.449 13.860 -14.536 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.291 11.437 -14.456 1.00 0.00 H new ATOM 0 HG3 GLN A 19 27.296 11.779 -15.858 1.00 0.00 H new ATOM 0 HE21 GLN A 19 27.363 14.371 -16.375 1.00 0.00 H new ATOM 0 HE22 GLN A 19 29.008 14.992 -16.541 1.00 0.00 H new ATOM 298 N ASP A 20 25.672 14.489 -11.604 1.00 0.00 N ATOM 299 CA ASP A 20 24.614 14.767 -10.654 1.00 0.00 C ATOM 300 C ASP A 20 23.646 13.595 -10.604 1.00 0.00 C ATOM 301 O ASP A 20 23.176 13.220 -9.532 1.00 0.00 O ATOM 302 CB ASP A 20 23.891 16.049 -11.060 1.00 0.00 C ATOM 303 CG ASP A 20 24.879 17.096 -11.556 1.00 0.00 C ATOM 304 OD1 ASP A 20 25.741 17.494 -10.742 1.00 0.00 O ATOM 305 OD2 ASP A 20 24.753 17.479 -12.739 1.00 0.00 O ATOM 0 H ASP A 20 25.922 15.280 -12.198 1.00 0.00 H new ATOM 0 HA ASP A 20 25.039 14.904 -9.660 1.00 0.00 H new ATOM 0 HB2 ASP A 20 23.164 15.829 -11.842 1.00 0.00 H new ATOM 0 HB3 ASP A 20 23.334 16.442 -10.209 1.00 0.00 H new ATOM 310 N GLN A 21 23.346 13.016 -11.769 1.00 0.00 N ATOM 311 CA GLN A 21 22.436 11.891 -11.852 1.00 0.00 C ATOM 312 C GLN A 21 23.001 10.836 -12.792 1.00 0.00 C ATOM 313 O GLN A 21 23.399 11.148 -13.912 1.00 0.00 O ATOM 314 CB GLN A 21 21.073 12.377 -12.340 1.00 0.00 C ATOM 315 CG GLN A 21 20.011 11.334 -12.005 1.00 0.00 C ATOM 316 CD GLN A 21 19.237 10.928 -13.252 1.00 0.00 C ATOM 317 OE1 GLN A 21 19.656 10.030 -13.979 1.00 0.00 O ATOM 318 NE2 GLN A 21 18.106 11.592 -13.496 1.00 0.00 N ATOM 0 H GLN A 21 23.726 13.316 -12.667 1.00 0.00 H new ATOM 0 HA GLN A 21 22.317 11.442 -10.866 1.00 0.00 H new ATOM 0 HB2 GLN A 21 20.825 13.328 -11.870 1.00 0.00 H new ATOM 0 HB3 GLN A 21 21.101 12.551 -13.416 1.00 0.00 H new ATOM 0 HG2 GLN A 21 20.484 10.457 -11.563 1.00 0.00 H new ATOM 0 HG3 GLN A 21 19.324 11.735 -11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.801 12.330 -12.861 1.00 0.00 H new ATOM 0 HE22 GLN A 21 17.546 11.362 -14.317 1.00 0.00 H new ATOM 327 N CYS A 22 23.035 9.583 -12.333 1.00 0.00 N ATOM 328 CA CYS A 22 23.550 8.489 -13.132 1.00 0.00 C ATOM 329 C CYS A 22 22.651 7.270 -12.975 1.00 0.00 C ATOM 330 O CYS A 22 21.871 7.189 -12.029 1.00 0.00 O ATOM 331 CB CYS A 22 24.977 8.169 -12.697 1.00 0.00 C ATOM 332 SG CYS A 22 26.176 8.167 -14.052 1.00 0.00 S ATOM 0 H CYS A 22 22.708 9.309 -11.407 1.00 0.00 H new ATOM 0 HA CYS A 22 23.562 8.775 -14.184 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.290 8.898 -11.949 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.988 7.192 -12.214 1.00 0.00 H new ATOM 337 N THR A 23 22.763 6.320 -13.906 1.00 0.00 N ATOM 338 CA THR A 23 21.962 5.114 -13.863 1.00 0.00 C ATOM 339 C THR A 23 22.854 3.908 -13.604 1.00 0.00 C ATOM 340 O THR A 23 24.025 3.904 -13.979 1.00 0.00 O ATOM 341 CB THR A 23 21.209 4.957 -15.181 1.00 0.00 C ATOM 342 OG1 THR A 23 20.380 6.079 -15.385 1.00 0.00 O ATOM 343 CG2 THR A 23 20.353 3.695 -15.132 1.00 0.00 C ATOM 0 H THR A 23 23.405 6.371 -14.697 1.00 0.00 H new ATOM 0 HA THR A 23 21.238 5.184 -13.052 1.00 0.00 H new ATOM 0 HB THR A 23 21.924 4.879 -16.000 1.00 0.00 H new ATOM 0 HG1 THR A 23 19.897 5.980 -16.232 1.00 0.00 H new ATOM 0 HG21 THR A 23 19.815 3.583 -16.074 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.993 2.827 -14.974 1.00 0.00 H new ATOM 0 HG23 THR A 23 19.638 3.772 -14.313 1.00 0.00 H new ATOM 351 N SER A 24 22.294 2.879 -12.962 1.00 0.00 N ATOM 352 CA SER A 24 23.038 1.674 -12.658 1.00 0.00 C ATOM 353 C SER A 24 23.066 0.762 -13.877 1.00 0.00 C ATOM 354 O SER A 24 23.937 -0.096 -13.995 1.00 0.00 O ATOM 355 CB SER A 24 22.395 0.967 -11.469 1.00 0.00 C ATOM 356 OG SER A 24 21.165 0.404 -11.867 1.00 0.00 O ATOM 0 H SER A 24 21.324 2.866 -12.646 1.00 0.00 H new ATOM 0 HA SER A 24 24.065 1.932 -12.399 1.00 0.00 H new ATOM 0 HB2 SER A 24 23.059 0.189 -11.092 1.00 0.00 H new ATOM 0 HB3 SER A 24 22.237 1.673 -10.654 1.00 0.00 H new ATOM 0 HG SER A 24 20.774 0.946 -12.584 1.00 0.00 H new ATOM 362 N ASN A 25 22.107 0.953 -14.787 1.00 0.00 N ATOM 363 CA ASN A 25 22.028 0.150 -15.990 1.00 0.00 C ATOM 364 C ASN A 25 21.539 -1.250 -15.649 1.00 0.00 C ATOM 365 O ASN A 25 21.243 -2.042 -16.541 1.00 0.00 O ATOM 366 CB ASN A 25 23.401 0.096 -16.655 1.00 0.00 C ATOM 367 CG ASN A 25 23.281 -0.311 -18.117 1.00 0.00 C ATOM 368 OD1 ASN A 25 22.758 0.446 -18.933 1.00 0.00 O ATOM 369 ND2 ASN A 25 23.770 -1.508 -18.448 1.00 0.00 N ATOM 0 H ASN A 25 21.377 1.661 -14.705 1.00 0.00 H new ATOM 0 HA ASN A 25 21.318 0.600 -16.684 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.883 1.071 -16.583 1.00 0.00 H new ATOM 0 HB3 ASN A 25 24.038 -0.614 -16.127 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.719 -1.830 -19.414 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.195 -2.100 -17.735 1.00 0.00 H new ATOM 376 N CYS A 26 21.452 -1.552 -14.352 1.00 0.00 N ATOM 377 CA CYS A 26 20.999 -2.851 -13.897 1.00 0.00 C ATOM 378 C CYS A 26 19.531 -3.037 -14.252 1.00 0.00 C ATOM 379 O CYS A 26 18.818 -2.064 -14.488 1.00 0.00 O ATOM 380 CB CYS A 26 21.209 -2.962 -12.390 1.00 0.00 C ATOM 381 SG CYS A 26 22.932 -2.769 -11.871 1.00 0.00 S ATOM 0 H CYS A 26 21.693 -0.905 -13.601 1.00 0.00 H new ATOM 0 HA CYS A 26 21.574 -3.635 -14.389 1.00 0.00 H new ATOM 0 HB2 CYS A 26 20.603 -2.205 -11.892 1.00 0.00 H new ATOM 0 HB3 CYS A 26 20.845 -3.933 -12.053 1.00 0.00 H new ATOM 386 N ASN A 27 19.080 -4.294 -14.291 1.00 0.00 N ATOM 387 CA ASN A 27 17.701 -4.599 -14.617 1.00 0.00 C ATOM 388 C ASN A 27 17.211 -5.758 -13.761 1.00 0.00 C ATOM 389 O ASN A 27 16.714 -6.753 -14.282 1.00 0.00 O ATOM 390 CB ASN A 27 17.595 -4.941 -16.101 1.00 0.00 C ATOM 391 CG ASN A 27 16.306 -4.390 -16.694 1.00 0.00 C ATOM 392 OD1 ASN A 27 16.271 -3.252 -17.157 1.00 0.00 O ATOM 393 ND2 ASN A 27 15.246 -5.201 -16.682 1.00 0.00 N ATOM 0 H ASN A 27 19.658 -5.112 -14.099 1.00 0.00 H new ATOM 0 HA ASN A 27 17.074 -3.731 -14.410 1.00 0.00 H new ATOM 0 HB2 ASN A 27 18.451 -4.529 -16.635 1.00 0.00 H new ATOM 0 HB3 ASN A 27 17.627 -6.023 -16.232 1.00 0.00 H new ATOM 0 HD21 ASN A 27 14.357 -4.884 -17.069 1.00 0.00 H new ATOM 0 HD22 ASN A 27 15.325 -6.138 -16.286 1.00 0.00 H new ATOM 400 N ILE A 28 17.351 -5.624 -12.440 1.00 0.00 N ATOM 401 CA ILE A 28 16.921 -6.654 -11.515 1.00 0.00 C ATOM 402 C ILE A 28 16.105 -6.030 -10.393 1.00 0.00 C ATOM 403 O ILE A 28 16.386 -4.913 -9.964 1.00 0.00 O ATOM 404 CB ILE A 28 18.143 -7.379 -10.959 1.00 0.00 C ATOM 405 CG1 ILE A 28 18.763 -8.245 -12.052 1.00 0.00 C ATOM 406 CG2 ILE A 28 17.721 -8.262 -9.788 1.00 0.00 C ATOM 407 CD1 ILE A 28 20.058 -8.866 -11.536 1.00 0.00 C ATOM 0 H ILE A 28 17.762 -4.804 -11.993 1.00 0.00 H new ATOM 0 HA ILE A 28 16.292 -7.377 -12.035 1.00 0.00 H new ATOM 0 HB ILE A 28 18.875 -6.647 -10.617 1.00 0.00 H new ATOM 0 HG12 ILE A 28 18.065 -9.028 -12.350 1.00 0.00 H new ATOM 0 HG13 ILE A 28 18.964 -7.643 -12.938 1.00 0.00 H new ATOM 0 HG21 ILE A 28 18.593 -8.780 -9.390 1.00 0.00 H new ATOM 0 HG22 ILE A 28 17.279 -7.644 -9.007 1.00 0.00 H new ATOM 0 HG23 ILE A 28 16.989 -8.994 -10.129 1.00 0.00 H new ATOM 0 HD11 ILE A 28 20.501 -9.485 -12.316 1.00 0.00 H new ATOM 0 HD12 ILE A 28 20.756 -8.075 -11.260 1.00 0.00 H new ATOM 0 HD13 ILE A 28 19.843 -9.482 -10.663 1.00 0.00 H new ATOM 419 N THR A 29 15.090 -6.755 -9.915 1.00 0.00 N ATOM 420 CA THR A 29 14.243 -6.266 -8.846 1.00 0.00 C ATOM 421 C THR A 29 14.255 -7.250 -7.685 1.00 0.00 C ATOM 422 O THR A 29 13.665 -8.325 -7.770 1.00 0.00 O ATOM 423 CB THR A 29 12.824 -6.068 -9.372 1.00 0.00 C ATOM 424 OG1 THR A 29 12.873 -5.387 -10.606 1.00 0.00 O ATOM 425 CG2 THR A 29 12.020 -5.247 -8.369 1.00 0.00 C ATOM 0 H THR A 29 14.842 -7.683 -10.258 1.00 0.00 H new ATOM 0 HA THR A 29 14.621 -5.308 -8.488 1.00 0.00 H new ATOM 0 HB THR A 29 12.348 -7.039 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.963 -5.260 -10.946 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.006 -5.105 -8.744 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.984 -5.773 -7.415 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.495 -4.276 -8.230 1.00 0.00 H new ATOM 433 N SER A 30 14.928 -6.878 -6.594 1.00 0.00 N ATOM 434 CA SER A 30 15.013 -7.725 -5.422 1.00 0.00 C ATOM 435 C SER A 30 13.943 -7.324 -4.416 1.00 0.00 C ATOM 436 O SER A 30 13.784 -6.144 -4.113 1.00 0.00 O ATOM 437 CB SER A 30 16.405 -7.606 -4.808 1.00 0.00 C ATOM 438 OG SER A 30 16.772 -6.247 -4.737 1.00 0.00 O ATOM 0 H SER A 30 15.421 -5.990 -6.507 1.00 0.00 H new ATOM 0 HA SER A 30 14.844 -8.763 -5.707 1.00 0.00 H new ATOM 0 HB2 SER A 30 16.414 -8.049 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.128 -8.158 -5.409 1.00 0.00 H new ATOM 0 HG SER A 30 15.966 -5.694 -4.662 1.00 0.00 H new ATOM 444 N ILE A 31 13.210 -8.312 -3.897 1.00 0.00 N ATOM 445 CA ILE A 31 12.162 -8.062 -2.928 1.00 0.00 C ATOM 446 C ILE A 31 12.751 -8.054 -1.524 1.00 0.00 C ATOM 447 O ILE A 31 13.250 -9.075 -1.055 1.00 0.00 O ATOM 448 CB ILE A 31 11.083 -9.132 -3.058 1.00 0.00 C ATOM 449 CG1 ILE A 31 11.099 -9.703 -4.473 1.00 0.00 C ATOM 450 CG2 ILE A 31 9.716 -8.514 -2.775 1.00 0.00 C ATOM 451 CD1 ILE A 31 9.991 -10.741 -4.615 1.00 0.00 C ATOM 0 H ILE A 31 13.331 -9.295 -4.139 1.00 0.00 H new ATOM 0 HA ILE A 31 11.711 -7.088 -3.117 1.00 0.00 H new ATOM 0 HB ILE A 31 11.277 -9.931 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.959 -8.904 -5.201 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.067 -10.158 -4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.945 -9.279 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 31 9.703 -8.107 -1.764 1.00 0.00 H new ATOM 0 HG23 ILE A 31 9.523 -7.715 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.002 -11.149 -5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 31 10.152 -11.545 -3.897 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.026 -10.272 -4.424 1.00 0.00 H new ATOM 463 N CYS A 32 12.691 -6.901 -0.855 1.00 0.00 N ATOM 464 CA CYS A 32 13.217 -6.767 0.489 1.00 0.00 C ATOM 465 C CYS A 32 12.106 -7.003 1.502 1.00 0.00 C ATOM 466 O CYS A 32 11.664 -6.071 2.170 1.00 0.00 O ATOM 467 CB CYS A 32 13.821 -5.377 0.662 1.00 0.00 C ATOM 468 SG CYS A 32 15.041 -4.942 -0.603 1.00 0.00 S ATOM 0 H CYS A 32 12.280 -6.047 -1.232 1.00 0.00 H new ATOM 0 HA CYS A 32 13.997 -7.510 0.655 1.00 0.00 H new ATOM 0 HB2 CYS A 32 13.019 -4.639 0.648 1.00 0.00 H new ATOM 0 HB3 CYS A 32 14.292 -5.316 1.643 1.00 0.00 H new ATOM 538 N GLU A 37 15.494 -3.936 4.835 1.00 0.00 N ATOM 539 CA GLU A 37 16.359 -4.059 3.678 1.00 0.00 C ATOM 540 C GLU A 37 16.094 -2.916 2.708 1.00 0.00 C ATOM 541 O GLU A 37 14.964 -2.726 2.260 1.00 0.00 O ATOM 542 CB GLU A 37 16.117 -5.407 3.004 1.00 0.00 C ATOM 543 CG GLU A 37 17.123 -6.427 3.530 1.00 0.00 C ATOM 544 CD GLU A 37 18.490 -6.218 2.895 1.00 0.00 C ATOM 545 OE1 GLU A 37 18.850 -5.037 2.696 1.00 0.00 O ATOM 546 OE2 GLU A 37 19.150 -7.243 2.621 1.00 0.00 O ATOM 0 HA GLU A 37 17.401 -4.006 3.993 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.101 -5.747 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 37 16.215 -5.308 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 37 17.204 -6.339 4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 37 16.769 -7.436 3.317 1.00 0.00 H new ATOM 553 N VAL A 38 17.140 -2.154 2.384 1.00 0.00 N ATOM 554 CA VAL A 38 17.019 -1.036 1.471 1.00 0.00 C ATOM 555 C VAL A 38 17.863 -1.291 0.230 1.00 0.00 C ATOM 556 O VAL A 38 18.653 -2.232 0.197 1.00 0.00 O ATOM 557 CB VAL A 38 17.462 0.244 2.173 1.00 0.00 C ATOM 558 CG1 VAL A 38 16.577 0.489 3.391 1.00 0.00 C ATOM 559 CG2 VAL A 38 18.915 0.102 2.620 1.00 0.00 C ATOM 0 H VAL A 38 18.082 -2.299 2.747 1.00 0.00 H new ATOM 0 HA VAL A 38 15.980 -0.924 1.163 1.00 0.00 H new ATOM 0 HB VAL A 38 17.374 1.085 1.485 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.893 1.403 3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 38 15.540 0.590 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 38 16.665 -0.351 4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 38 19.232 1.016 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 38 19.004 -0.739 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 38 19.548 -0.073 1.750 1.00 0.00 H new ATOM 569 N CYS A 39 17.695 -0.448 -0.792 1.00 0.00 N ATOM 570 CA CYS A 39 18.439 -0.585 -2.027 1.00 0.00 C ATOM 571 C CYS A 39 19.735 0.208 -1.937 1.00 0.00 C ATOM 572 O CYS A 39 19.714 1.407 -1.672 1.00 0.00 O ATOM 573 CB CYS A 39 17.584 -0.095 -3.192 1.00 0.00 C ATOM 574 SG CYS A 39 15.812 -0.035 -2.831 1.00 0.00 S ATOM 0 H CYS A 39 17.045 0.338 -0.779 1.00 0.00 H new ATOM 0 HA CYS A 39 18.688 -1.633 -2.193 1.00 0.00 H new ATOM 0 HB2 CYS A 39 17.919 0.901 -3.481 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.748 -0.748 -4.049 1.00 0.00 H new ATOM 579 N ALA A 40 20.866 -0.467 -2.159 1.00 0.00 N ATOM 580 CA ALA A 40 22.164 0.177 -2.101 1.00 0.00 C ATOM 581 C ALA A 40 22.942 -0.117 -3.375 1.00 0.00 C ATOM 582 O ALA A 40 23.136 -1.277 -3.734 1.00 0.00 O ATOM 583 CB ALA A 40 22.923 -0.324 -0.876 1.00 0.00 C ATOM 0 H ALA A 40 20.900 -1.462 -2.381 1.00 0.00 H new ATOM 0 HA ALA A 40 22.037 1.256 -2.018 1.00 0.00 H new ATOM 0 HB1 ALA A 40 23.899 0.159 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 40 22.358 -0.086 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 40 23.055 -1.404 -0.946 1.00 0.00 H new ATOM 589 N ALA A 41 23.388 0.938 -4.061 1.00 0.00 N ATOM 590 CA ALA A 41 24.139 0.790 -5.291 1.00 0.00 C ATOM 591 C ALA A 41 25.432 1.588 -5.204 1.00 0.00 C ATOM 592 O ALA A 41 25.410 2.779 -4.900 1.00 0.00 O ATOM 593 CB ALA A 41 23.289 1.262 -6.466 1.00 0.00 C ATOM 0 H ALA A 41 23.236 1.906 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 41 24.392 -0.259 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 41 23.854 1.151 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.380 0.663 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.025 2.310 -6.326 1.00 0.00 H new ATOM 599 N VAL A 42 26.562 0.929 -5.472 1.00 0.00 N ATOM 600 CA VAL A 42 27.856 1.578 -5.423 1.00 0.00 C ATOM 601 C VAL A 42 28.521 1.506 -6.790 1.00 0.00 C ATOM 602 O VAL A 42 28.683 0.423 -7.348 1.00 0.00 O ATOM 603 CB VAL A 42 28.723 0.903 -4.363 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.674 -0.610 -4.554 1.00 0.00 C ATOM 605 CG2 VAL A 42 30.165 1.386 -4.503 1.00 0.00 C ATOM 0 H VAL A 42 26.597 -0.058 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 42 27.731 2.628 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 42 28.348 1.157 -3.371 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.293 -1.092 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.645 -0.956 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 42 29.049 -0.864 -5.545 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.785 0.905 -3.747 1.00 0.00 H new ATOM 0 HG22 VAL A 42 30.539 1.132 -5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 42 30.201 2.467 -4.368 1.00 0.00 H new ATOM 615 N TRP A 43 28.906 2.664 -7.330 1.00 0.00 N ATOM 616 CA TRP A 43 29.551 2.723 -8.626 1.00 0.00 C ATOM 617 C TRP A 43 31.033 3.026 -8.455 1.00 0.00 C ATOM 618 O TRP A 43 31.397 4.074 -7.928 1.00 0.00 O ATOM 619 CB TRP A 43 28.875 3.790 -9.482 1.00 0.00 C ATOM 620 CG TRP A 43 29.665 4.237 -10.671 1.00 0.00 C ATOM 621 CD1 TRP A 43 29.509 3.773 -11.930 1.00 0.00 C ATOM 622 CD2 TRP A 43 30.733 5.229 -10.741 1.00 0.00 C ATOM 623 NE1 TRP A 43 30.402 4.405 -12.769 1.00 0.00 N ATOM 624 CE2 TRP A 43 31.184 5.315 -12.085 1.00 0.00 C ATOM 625 CE3 TRP A 43 31.370 6.065 -9.805 1.00 0.00 C ATOM 626 CZ2 TRP A 43 32.207 6.181 -12.482 1.00 0.00 C ATOM 627 CZ3 TRP A 43 32.397 6.937 -10.192 1.00 0.00 C ATOM 628 CH2 TRP A 43 32.818 6.998 -11.526 1.00 0.00 C ATOM 0 H TRP A 43 28.778 3.571 -6.882 1.00 0.00 H new ATOM 0 HA TRP A 43 29.455 1.760 -9.127 1.00 0.00 H new ATOM 0 HB2 TRP A 43 27.915 3.405 -9.826 1.00 0.00 H new ATOM 0 HB3 TRP A 43 28.665 4.658 -8.857 1.00 0.00 H new ATOM 0 HD1 TRP A 43 28.794 3.022 -12.233 1.00 0.00 H new ATOM 0 HE1 TRP A 43 30.476 4.223 -13.770 1.00 0.00 H new ATOM 0 HE3 TRP A 43 31.062 6.034 -8.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 32.522 6.219 -13.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 32.868 7.568 -9.453 1.00 0.00 H new ATOM 0 HH2 TRP A 43 33.610 7.673 -11.815 1.00 0.00 H new ATOM 639 N ARG A 44 31.887 2.104 -8.905 1.00 0.00 N ATOM 640 CA ARG A 44 33.322 2.274 -8.800 1.00 0.00 C ATOM 641 C ARG A 44 33.908 2.570 -10.172 1.00 0.00 C ATOM 642 O ARG A 44 33.443 2.033 -11.177 1.00 0.00 O ATOM 643 CB ARG A 44 33.941 1.012 -8.208 1.00 0.00 C ATOM 644 CG ARG A 44 32.847 -0.026 -7.966 1.00 0.00 C ATOM 645 CD ARG A 44 32.114 0.301 -6.669 1.00 0.00 C ATOM 646 NE ARG A 44 31.694 -0.920 -5.981 1.00 0.00 N ATOM 647 CZ ARG A 44 30.992 -1.889 -6.584 1.00 0.00 C ATOM 648 NH1 ARG A 44 30.645 -1.762 -7.872 1.00 0.00 N ATOM 649 NH2 ARG A 44 30.636 -2.984 -5.899 1.00 0.00 N ATOM 0 H ARG A 44 31.599 1.231 -9.346 1.00 0.00 H new ATOM 0 HA ARG A 44 33.545 3.115 -8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 44 34.694 0.611 -8.886 1.00 0.00 H new ATOM 0 HB3 ARG A 44 34.448 1.247 -7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 44 32.146 -0.033 -8.801 1.00 0.00 H new ATOM 0 HG3 ARG A 44 33.283 -1.023 -7.908 1.00 0.00 H new ATOM 0 HD2 ARG A 44 32.764 0.885 -6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 44 31.242 0.919 -6.886 1.00 0.00 H new ATOM 0 HE ARG A 44 31.947 -1.039 -5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.915 -0.928 -8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 44 30.111 -2.499 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 44 30.899 -3.080 -4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 44 30.102 -3.722 -6.358 1.00 0.00 H new ATOM 663 N ARG A 45 34.931 3.425 -10.215 1.00 0.00 N ATOM 664 CA ARG A 45 35.574 3.788 -11.461 1.00 0.00 C ATOM 665 C ARG A 45 37.078 3.903 -11.251 1.00 0.00 C ATOM 666 O ARG A 45 37.547 4.846 -10.618 1.00 0.00 O ATOM 667 CB ARG A 45 34.997 5.107 -11.966 1.00 0.00 C ATOM 668 CG ARG A 45 36.043 5.832 -12.807 1.00 0.00 C ATOM 669 CD ARG A 45 35.350 6.819 -13.741 1.00 0.00 C ATOM 670 NE ARG A 45 35.573 6.463 -15.143 1.00 0.00 N ATOM 671 CZ ARG A 45 36.749 6.642 -15.758 1.00 0.00 C ATOM 672 NH1 ARG A 45 37.784 7.168 -15.089 1.00 0.00 N ATOM 673 NH2 ARG A 45 36.891 6.295 -17.045 1.00 0.00 N ATOM 0 H ARG A 45 35.328 3.877 -9.391 1.00 0.00 H new ATOM 0 HA ARG A 45 35.389 3.016 -12.208 1.00 0.00 H new ATOM 0 HB2 ARG A 45 34.103 4.921 -12.560 1.00 0.00 H new ATOM 0 HB3 ARG A 45 34.696 5.730 -11.124 1.00 0.00 H new ATOM 0 HG2 ARG A 45 36.744 6.359 -12.160 1.00 0.00 H new ATOM 0 HG3 ARG A 45 36.622 5.112 -13.386 1.00 0.00 H new ATOM 0 HD2 ARG A 45 34.280 6.833 -13.532 1.00 0.00 H new ATOM 0 HD3 ARG A 45 35.724 7.826 -13.554 1.00 0.00 H new ATOM 0 HE ARG A 45 34.800 6.062 -15.674 1.00 0.00 H new ATOM 0 HH11 ARG A 45 37.677 7.433 -14.110 1.00 0.00 H new ATOM 0 HH12 ARG A 45 38.679 7.304 -15.559 1.00 0.00 H new ATOM 0 HH21 ARG A 45 36.104 5.895 -17.555 1.00 0.00 H new ATOM 0 HH22 ARG A 45 37.786 6.431 -17.514 1.00 0.00 H new ATOM 687 N ASN A 46 37.833 2.940 -11.786 1.00 0.00 N ATOM 688 CA ASN A 46 39.275 2.941 -11.655 1.00 0.00 C ATOM 689 C ASN A 46 39.919 3.220 -13.006 1.00 0.00 C ATOM 690 O ASN A 46 39.705 2.481 -13.965 1.00 0.00 O ATOM 691 CB ASN A 46 39.735 1.594 -11.106 1.00 0.00 C ATOM 692 CG ASN A 46 39.209 0.450 -11.962 1.00 0.00 C ATOM 693 OD1 ASN A 46 38.214 -0.181 -11.613 1.00 0.00 O ATOM 694 ND2 ASN A 46 39.879 0.187 -13.086 1.00 0.00 N ATOM 0 H ASN A 46 37.459 2.151 -12.314 1.00 0.00 H new ATOM 0 HA ASN A 46 39.579 3.726 -10.962 1.00 0.00 H new ATOM 0 HB2 ASN A 46 40.824 1.561 -11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 46 39.386 1.476 -10.080 1.00 0.00 H new ATOM 0 HD21 ASN A 46 39.570 -0.567 -13.699 1.00 0.00 H new ATOM 0 HD22 ASN A 46 40.700 0.740 -13.332 1.00 0.00 H new ATOM 701 N ASP A 47 40.711 4.292 -13.079 1.00 0.00 N ATOM 702 CA ASP A 47 41.381 4.665 -14.308 1.00 0.00 C ATOM 703 C ASP A 47 40.386 4.656 -15.461 1.00 0.00 C ATOM 704 O ASP A 47 39.617 5.601 -15.627 1.00 0.00 O ATOM 705 CB ASP A 47 42.527 3.695 -14.577 1.00 0.00 C ATOM 706 CG ASP A 47 43.759 4.070 -13.765 1.00 0.00 C ATOM 707 OD1 ASP A 47 43.753 3.766 -12.552 1.00 0.00 O ATOM 708 OD2 ASP A 47 44.682 4.652 -14.372 1.00 0.00 O ATOM 0 H ASP A 47 40.899 4.914 -12.293 1.00 0.00 H new ATOM 0 HA ASP A 47 41.789 5.671 -14.213 1.00 0.00 H new ATOM 0 HB2 ASP A 47 42.216 2.681 -14.326 1.00 0.00 H new ATOM 0 HB3 ASP A 47 42.771 3.700 -15.639 1.00 0.00 H new ATOM 713 N GLU A 48 40.402 3.586 -16.258 1.00 0.00 N ATOM 714 CA GLU A 48 39.501 3.463 -17.386 1.00 0.00 C ATOM 715 C GLU A 48 38.562 2.284 -17.175 1.00 0.00 C ATOM 716 O GLU A 48 37.843 1.885 -18.089 1.00 0.00 O ATOM 717 CB GLU A 48 40.313 3.284 -18.666 1.00 0.00 C ATOM 718 CG GLU A 48 41.212 4.499 -18.872 1.00 0.00 C ATOM 719 CD GLU A 48 41.292 4.871 -20.345 1.00 0.00 C ATOM 720 OE1 GLU A 48 41.678 3.983 -21.136 1.00 0.00 O ATOM 721 OE2 GLU A 48 40.965 6.038 -20.654 1.00 0.00 O ATOM 0 H GLU A 48 41.034 2.795 -16.136 1.00 0.00 H new ATOM 0 HA GLU A 48 38.899 4.368 -17.474 1.00 0.00 H new ATOM 0 HB2 GLU A 48 40.916 2.378 -18.603 1.00 0.00 H new ATOM 0 HB3 GLU A 48 39.645 3.163 -19.519 1.00 0.00 H new ATOM 0 HG2 GLU A 48 40.826 5.343 -18.300 1.00 0.00 H new ATOM 0 HG3 GLU A 48 42.211 4.286 -18.492 1.00 0.00 H new ATOM 728 N ASN A 49 38.567 1.725 -15.962 1.00 0.00 N ATOM 729 CA ASN A 49 37.718 0.598 -15.636 1.00 0.00 C ATOM 730 C ASN A 49 36.733 0.990 -14.542 1.00 0.00 C ATOM 731 O ASN A 49 37.128 1.230 -13.404 1.00 0.00 O ATOM 732 CB ASN A 49 38.582 -0.577 -15.190 1.00 0.00 C ATOM 733 CG ASN A 49 38.376 -1.780 -16.100 1.00 0.00 C ATOM 734 OD1 ASN A 49 38.155 -2.890 -15.623 1.00 0.00 O ATOM 735 ND2 ASN A 49 38.447 -1.556 -17.414 1.00 0.00 N ATOM 0 H ASN A 49 39.156 2.043 -15.192 1.00 0.00 H new ATOM 0 HA ASN A 49 37.150 0.300 -16.517 1.00 0.00 H new ATOM 0 HB2 ASN A 49 39.632 -0.285 -15.199 1.00 0.00 H new ATOM 0 HB3 ASN A 49 38.335 -0.846 -14.163 1.00 0.00 H new ATOM 0 HD21 ASN A 49 38.315 -2.326 -18.070 1.00 0.00 H new ATOM 0 HD22 ASN A 49 38.633 -0.615 -17.762 1.00 0.00 H new ATOM 742 N VAL A 50 35.446 1.053 -14.893 1.00 0.00 N ATOM 743 CA VAL A 50 34.412 1.414 -13.945 1.00 0.00 C ATOM 744 C VAL A 50 33.377 0.301 -13.864 1.00 0.00 C ATOM 745 O VAL A 50 33.034 -0.306 -14.877 1.00 0.00 O ATOM 746 CB VAL A 50 33.764 2.726 -14.374 1.00 0.00 C ATOM 747 CG1 VAL A 50 34.849 3.763 -14.650 1.00 0.00 C ATOM 748 CG2 VAL A 50 32.944 2.498 -15.640 1.00 0.00 C ATOM 0 H VAL A 50 35.103 0.856 -15.833 1.00 0.00 H new ATOM 0 HA VAL A 50 34.850 1.549 -12.956 1.00 0.00 H new ATOM 0 HB VAL A 50 33.111 3.086 -13.579 1.00 0.00 H new ATOM 0 HG11 VAL A 50 34.386 4.701 -14.957 1.00 0.00 H new ATOM 0 HG12 VAL A 50 35.435 3.926 -13.745 1.00 0.00 H new ATOM 0 HG13 VAL A 50 35.502 3.404 -15.445 1.00 0.00 H new ATOM 0 HG21 VAL A 50 32.481 3.436 -15.947 1.00 0.00 H new ATOM 0 HG22 VAL A 50 33.596 2.138 -16.436 1.00 0.00 H new ATOM 0 HG23 VAL A 50 32.169 1.758 -15.443 1.00 0.00 H new ATOM 758 N THR A 51 32.878 0.034 -12.655 1.00 0.00 N ATOM 759 CA THR A 51 31.885 -1.002 -12.453 1.00 0.00 C ATOM 760 C THR A 51 30.785 -0.495 -11.533 1.00 0.00 C ATOM 761 O THR A 51 31.033 0.337 -10.663 1.00 0.00 O ATOM 762 CB THR A 51 32.555 -2.240 -11.864 1.00 0.00 C ATOM 763 OG1 THR A 51 32.446 -2.208 -10.459 1.00 0.00 O ATOM 764 CG2 THR A 51 34.030 -2.258 -12.259 1.00 0.00 C ATOM 0 H THR A 51 33.151 0.527 -11.805 1.00 0.00 H new ATOM 0 HA THR A 51 31.435 -1.268 -13.409 1.00 0.00 H new ATOM 0 HB THR A 51 32.066 -3.135 -12.247 1.00 0.00 H new ATOM 0 HG1 THR A 51 33.121 -2.799 -10.065 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.509 -3.142 -11.838 1.00 0.00 H new ATOM 0 HG22 THR A 51 34.115 -2.281 -13.345 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.520 -1.363 -11.876 1.00 0.00 H new ATOM 772 N LEU A 52 29.565 -1.000 -11.727 1.00 0.00 N ATOM 773 CA LEU A 52 28.432 -0.599 -10.916 1.00 0.00 C ATOM 774 C LEU A 52 27.763 -1.828 -10.318 1.00 0.00 C ATOM 775 O LEU A 52 27.466 -2.785 -11.029 1.00 0.00 O ATOM 776 CB LEU A 52 27.447 0.189 -11.775 1.00 0.00 C ATOM 777 CG LEU A 52 26.700 1.193 -10.901 1.00 0.00 C ATOM 778 CD1 LEU A 52 26.361 2.432 -11.725 1.00 0.00 C ATOM 779 CD2 LEU A 52 25.412 0.557 -10.383 1.00 0.00 C ATOM 0 H LEU A 52 29.344 -1.690 -12.445 1.00 0.00 H new ATOM 0 HA LEU A 52 28.772 0.037 -10.099 1.00 0.00 H new ATOM 0 HB2 LEU A 52 27.978 0.709 -12.572 1.00 0.00 H new ATOM 0 HB3 LEU A 52 26.741 -0.490 -12.253 1.00 0.00 H new ATOM 0 HG LEU A 52 27.328 1.479 -10.058 1.00 0.00 H new ATOM 0 HD11 LEU A 52 25.828 3.149 -11.101 1.00 0.00 H new ATOM 0 HD12 LEU A 52 27.280 2.886 -12.095 1.00 0.00 H new ATOM 0 HD13 LEU A 52 25.732 2.147 -12.569 1.00 0.00 H new ATOM 0 HD21 LEU A 52 24.878 1.273 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 52 24.783 0.271 -11.226 1.00 0.00 H new ATOM 0 HD23 LEU A 52 25.654 -0.328 -9.794 1.00 0.00 H new ATOM 791 N GLU A 53 27.528 -1.800 -9.004 1.00 0.00 N ATOM 792 CA GLU A 53 26.895 -2.910 -8.320 1.00 0.00 C ATOM 793 C GLU A 53 25.642 -2.431 -7.601 1.00 0.00 C ATOM 794 O GLU A 53 25.627 -1.345 -7.028 1.00 0.00 O ATOM 795 CB GLU A 53 27.883 -3.526 -7.332 1.00 0.00 C ATOM 796 CG GLU A 53 27.561 -5.006 -7.147 1.00 0.00 C ATOM 797 CD GLU A 53 28.316 -5.581 -5.957 1.00 0.00 C ATOM 798 OE1 GLU A 53 28.750 -4.768 -5.114 1.00 0.00 O ATOM 799 OE2 GLU A 53 28.445 -6.824 -5.914 1.00 0.00 O ATOM 0 H GLU A 53 27.770 -1.015 -8.399 1.00 0.00 H new ATOM 0 HA GLU A 53 26.603 -3.669 -9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 53 28.902 -3.408 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 53 27.827 -3.008 -6.375 1.00 0.00 H new ATOM 0 HG2 GLU A 53 26.489 -5.133 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 53 27.825 -5.556 -8.051 1.00 0.00 H new ATOM 806 N THR A 54 24.587 -3.249 -7.633 1.00 0.00 N ATOM 807 CA THR A 54 23.339 -2.905 -6.984 1.00 0.00 C ATOM 808 C THR A 54 22.795 -4.111 -6.231 1.00 0.00 C ATOM 809 O THR A 54 22.762 -5.218 -6.765 1.00 0.00 O ATOM 810 CB THR A 54 22.337 -2.427 -8.032 1.00 0.00 C ATOM 811 OG1 THR A 54 22.344 -3.314 -9.128 1.00 0.00 O ATOM 812 CG2 THR A 54 22.725 -1.029 -8.507 1.00 0.00 C ATOM 0 H THR A 54 24.582 -4.153 -8.105 1.00 0.00 H new ATOM 0 HA THR A 54 23.509 -2.102 -6.267 1.00 0.00 H new ATOM 0 HB THR A 54 21.339 -2.398 -7.594 1.00 0.00 H new ATOM 0 HG1 THR A 54 23.071 -3.073 -9.739 1.00 0.00 H new ATOM 0 HG21 THR A 54 22.010 -0.687 -9.255 1.00 0.00 H new ATOM 0 HG22 THR A 54 22.720 -0.343 -7.660 1.00 0.00 H new ATOM 0 HG23 THR A 54 23.723 -1.057 -8.945 1.00 0.00 H new ATOM 820 N ILE A 55 22.368 -3.893 -4.985 1.00 0.00 N ATOM 821 CA ILE A 55 21.827 -4.957 -4.162 1.00 0.00 C ATOM 822 C ILE A 55 21.127 -4.363 -2.948 1.00 0.00 C ATOM 823 O ILE A 55 21.418 -3.237 -2.552 1.00 0.00 O ATOM 824 CB ILE A 55 22.955 -5.892 -3.735 1.00 0.00 C ATOM 825 CG1 ILE A 55 24.242 -5.090 -3.560 1.00 0.00 C ATOM 826 CG2 ILE A 55 23.162 -6.961 -4.804 1.00 0.00 C ATOM 827 CD1 ILE A 55 24.836 -5.375 -2.184 1.00 0.00 C ATOM 0 H ILE A 55 22.390 -2.981 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 55 21.096 -5.530 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 55 22.694 -6.369 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 55 24.957 -5.355 -4.339 1.00 0.00 H new ATOM 0 HG13 ILE A 55 24.036 -4.025 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.968 -7.629 -4.499 1.00 0.00 H new ATOM 0 HG22 ILE A 55 22.243 -7.534 -4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 55 23.423 -6.485 -5.749 1.00 0.00 H new ATOM 0 HD11 ILE A 55 25.755 -4.802 -2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 55 24.121 -5.088 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 55 25.056 -6.439 -2.096 1.00 0.00 H new ATOM 839 N CYS A 56 20.203 -5.125 -2.358 1.00 0.00 N ATOM 840 CA CYS A 56 19.468 -4.672 -1.194 1.00 0.00 C ATOM 841 C CYS A 56 20.308 -4.879 0.058 1.00 0.00 C ATOM 842 O CYS A 56 20.193 -5.905 0.724 1.00 0.00 O ATOM 843 CB CYS A 56 18.153 -5.438 -1.094 1.00 0.00 C ATOM 844 SG CYS A 56 16.800 -4.486 -0.361 1.00 0.00 S ATOM 0 H CYS A 56 19.952 -6.061 -2.675 1.00 0.00 H new ATOM 0 HA CYS A 56 19.248 -3.609 -1.289 1.00 0.00 H new ATOM 0 HB2 CYS A 56 17.857 -5.762 -2.092 1.00 0.00 H new ATOM 0 HB3 CYS A 56 18.313 -6.338 -0.501 1.00 0.00 H new ATOM 849 N HIS A 57 21.158 -3.900 0.377 1.00 0.00 N ATOM 850 CA HIS A 57 22.012 -3.983 1.545 1.00 0.00 C ATOM 851 C HIS A 57 21.693 -2.845 2.505 1.00 0.00 C ATOM 852 O HIS A 57 21.322 -1.755 2.079 1.00 0.00 O ATOM 853 CB HIS A 57 23.474 -3.927 1.110 1.00 0.00 C ATOM 854 CG HIS A 57 24.409 -3.639 2.251 1.00 0.00 C ATOM 855 ND1 HIS A 57 24.949 -4.567 3.112 1.00 0.00 N ATOM 856 CD2 HIS A 57 24.876 -2.407 2.622 1.00 0.00 C ATOM 857 CE1 HIS A 57 25.727 -3.901 3.983 1.00 0.00 C ATOM 858 NE2 HIS A 57 25.715 -2.581 3.726 1.00 0.00 N ATOM 0 H HIS A 57 21.267 -3.042 -0.164 1.00 0.00 H new ATOM 0 HA HIS A 57 21.834 -4.926 2.061 1.00 0.00 H new ATOM 0 HB2 HIS A 57 23.749 -4.877 0.652 1.00 0.00 H new ATOM 0 HB3 HIS A 57 23.592 -3.158 0.346 1.00 0.00 H new ATOM 0 HD2 HIS A 57 24.638 -1.467 2.146 1.00 0.00 H new ATOM 0 HE1 HIS A 57 26.287 -4.364 4.782 1.00 0.00 H new ATOM 0 HE2 HIS A 57 26.217 -1.853 4.235 1.00 0.00 H new ATOM 866 N ASP A 58 21.837 -3.105 3.807 1.00 0.00 N ATOM 867 CA ASP A 58 21.562 -2.107 4.820 1.00 0.00 C ATOM 868 C ASP A 58 22.744 -1.156 4.939 1.00 0.00 C ATOM 869 O ASP A 58 23.889 -1.594 5.028 1.00 0.00 O ATOM 870 CB ASP A 58 21.286 -2.798 6.153 1.00 0.00 C ATOM 871 CG ASP A 58 20.335 -3.971 5.970 1.00 0.00 C ATOM 872 OD1 ASP A 58 19.579 -3.938 4.975 1.00 0.00 O ATOM 873 OD2 ASP A 58 20.380 -4.878 6.828 1.00 0.00 O ATOM 0 H ASP A 58 22.144 -4.005 4.176 1.00 0.00 H new ATOM 0 HA ASP A 58 20.682 -1.529 4.538 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.223 -3.148 6.586 1.00 0.00 H new ATOM 0 HB3 ASP A 58 20.857 -2.083 6.856 1.00 0.00 H new ATOM 878 N PRO A 59 22.466 0.150 4.942 1.00 0.00 N ATOM 879 CA PRO A 59 23.460 1.196 5.049 1.00 0.00 C ATOM 880 C PRO A 59 24.007 1.237 6.468 1.00 0.00 C ATOM 881 O PRO A 59 24.347 2.305 6.975 1.00 0.00 O ATOM 882 CB PRO A 59 22.711 2.484 4.713 1.00 0.00 C ATOM 883 CG PRO A 59 21.289 2.180 5.183 1.00 0.00 C ATOM 884 CD PRO A 59 21.132 0.700 4.841 1.00 0.00 C ATOM 0 HA PRO A 59 24.310 1.043 4.385 1.00 0.00 H new ATOM 0 HB2 PRO A 59 23.133 3.345 5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 59 22.746 2.706 3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 59 21.167 2.364 6.250 1.00 0.00 H new ATOM 0 HG3 PRO A 59 20.552 2.795 4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 59 20.448 0.206 5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 59 20.725 0.567 3.839 1.00 0.00 H new ATOM 892 N GLN A 60 24.089 0.071 7.113 1.00 0.00 N ATOM 893 CA GLN A 60 24.591 -0.019 8.470 1.00 0.00 C ATOM 894 C GLN A 60 26.039 -0.487 8.455 1.00 0.00 C ATOM 895 O GLN A 60 26.876 0.053 9.176 1.00 0.00 O ATOM 896 CB GLN A 60 23.719 -0.983 9.269 1.00 0.00 C ATOM 897 CG GLN A 60 23.960 -2.409 8.786 1.00 0.00 C ATOM 898 CD GLN A 60 22.757 -3.293 9.077 1.00 0.00 C ATOM 899 OE1 GLN A 60 22.908 -4.417 9.552 1.00 0.00 O ATOM 900 NE2 GLN A 60 21.557 -2.782 8.791 1.00 0.00 N ATOM 0 H GLN A 60 23.811 -0.823 6.708 1.00 0.00 H new ATOM 0 HA GLN A 60 24.553 0.963 8.942 1.00 0.00 H new ATOM 0 HB2 GLN A 60 23.950 -0.904 10.331 1.00 0.00 H new ATOM 0 HB3 GLN A 60 22.667 -0.721 9.152 1.00 0.00 H new ATOM 0 HG2 GLN A 60 24.162 -2.405 7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 60 24.844 -2.818 9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.483 -1.844 8.398 1.00 0.00 H new ATOM 0 HE22 GLN A 60 20.715 -3.330 8.966 1.00 0.00 H new ATOM 909 N LYS A 61 26.334 -1.495 7.631 1.00 0.00 N ATOM 910 CA LYS A 61 27.677 -2.029 7.527 1.00 0.00 C ATOM 911 C LYS A 61 28.488 -1.201 6.541 1.00 0.00 C ATOM 912 O LYS A 61 27.928 -0.558 5.655 1.00 0.00 O ATOM 913 CB LYS A 61 27.611 -3.487 7.082 1.00 0.00 C ATOM 914 CG LYS A 61 26.423 -4.170 7.754 1.00 0.00 C ATOM 915 CD LYS A 61 26.522 -5.680 7.552 1.00 0.00 C ATOM 916 CE LYS A 61 27.748 -6.211 8.289 1.00 0.00 C ATOM 917 NZ LYS A 61 27.468 -7.521 8.900 1.00 0.00 N ATOM 0 H LYS A 61 25.652 -1.954 7.027 1.00 0.00 H new ATOM 0 HA LYS A 61 28.167 -1.981 8.500 1.00 0.00 H new ATOM 0 HB2 LYS A 61 27.511 -3.543 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 61 28.536 -4.001 7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 61 26.409 -3.935 8.818 1.00 0.00 H new ATOM 0 HG3 LYS A 61 25.489 -3.797 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 61 25.621 -6.168 7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 61 26.594 -5.912 6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 61 28.584 -6.300 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 61 28.049 -5.502 9.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 28.317 -7.861 9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 26.685 -7.427 9.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 27.204 -8.201 8.158 1.00 0.00 H new ATOM 931 N ARG A 62 29.814 -1.217 6.698 1.00 0.00 N ATOM 932 CA ARG A 62 30.697 -0.469 5.825 1.00 0.00 C ATOM 933 C ARG A 62 31.101 -1.332 4.640 1.00 0.00 C ATOM 934 O ARG A 62 31.714 -2.383 4.814 1.00 0.00 O ATOM 935 CB ARG A 62 31.925 -0.018 6.610 1.00 0.00 C ATOM 936 CG ARG A 62 31.689 1.385 7.163 1.00 0.00 C ATOM 937 CD ARG A 62 30.433 1.386 8.029 1.00 0.00 C ATOM 938 NE ARG A 62 30.680 2.043 9.312 1.00 0.00 N ATOM 939 CZ ARG A 62 30.418 3.339 9.527 1.00 0.00 C ATOM 940 NH1 ARG A 62 29.905 4.091 8.543 1.00 0.00 N ATOM 941 NH2 ARG A 62 30.668 3.884 10.726 1.00 0.00 N ATOM 0 H ARG A 62 30.293 -1.745 7.427 1.00 0.00 H new ATOM 0 HA ARG A 62 30.180 0.413 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 62 32.124 -0.713 7.426 1.00 0.00 H new ATOM 0 HB3 ARG A 62 32.804 -0.023 5.965 1.00 0.00 H new ATOM 0 HG2 ARG A 62 32.549 1.705 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 62 31.580 2.096 6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 62 29.626 1.897 7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 62 30.104 0.361 8.199 1.00 0.00 H new ATOM 0 HE ARG A 62 31.069 1.490 10.076 1.00 0.00 H new ATOM 0 HH11 ARG A 62 29.714 3.676 7.631 1.00 0.00 H new ATOM 0 HH12 ARG A 62 29.705 5.078 8.706 1.00 0.00 H new ATOM 0 HH21 ARG A 62 31.058 3.312 11.475 1.00 0.00 H new ATOM 0 HH22 ARG A 62 30.468 4.871 10.889 1.00 0.00 H new ATOM 955 N LEU A 63 30.759 -0.886 3.429 1.00 0.00 N ATOM 956 CA LEU A 63 31.088 -1.617 2.222 1.00 0.00 C ATOM 957 C LEU A 63 32.301 -0.988 1.551 1.00 0.00 C ATOM 958 O LEU A 63 32.374 0.231 1.411 1.00 0.00 O ATOM 959 CB LEU A 63 29.887 -1.612 1.281 1.00 0.00 C ATOM 960 CG LEU A 63 30.274 -2.267 -0.042 1.00 0.00 C ATOM 961 CD1 LEU A 63 29.990 -3.765 0.029 1.00 0.00 C ATOM 962 CD2 LEU A 63 29.459 -1.647 -1.174 1.00 0.00 C ATOM 0 H LEU A 63 30.252 -0.016 3.267 1.00 0.00 H new ATOM 0 HA LEU A 63 31.332 -2.649 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 63 29.054 -2.149 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 63 29.551 -0.590 1.108 1.00 0.00 H new ATOM 0 HG LEU A 63 31.336 -2.108 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 63 30.266 -4.233 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 63 30.572 -4.208 0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 63 28.928 -3.926 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 63 29.735 -2.114 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 63 28.397 -1.806 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 63 29.662 -0.577 -1.225 1.00 0.00 H new ATOM 974 N TYR A 64 33.255 -1.824 1.135 1.00 0.00 N ATOM 975 CA TYR A 64 34.457 -1.346 0.484 1.00 0.00 C ATOM 976 C TYR A 64 35.089 -0.237 1.314 1.00 0.00 C ATOM 977 O TYR A 64 35.826 0.594 0.790 1.00 0.00 O ATOM 978 CB TYR A 64 34.111 -0.843 -0.915 1.00 0.00 C ATOM 979 CG TYR A 64 33.313 -1.831 -1.730 1.00 0.00 C ATOM 980 CD1 TYR A 64 33.784 -3.138 -1.905 1.00 0.00 C ATOM 981 CD2 TYR A 64 32.101 -1.442 -2.312 1.00 0.00 C ATOM 982 CE1 TYR A 64 33.045 -4.055 -2.661 1.00 0.00 C ATOM 983 CE2 TYR A 64 31.360 -2.358 -3.069 1.00 0.00 C ATOM 984 CZ TYR A 64 31.833 -3.664 -3.243 1.00 0.00 C ATOM 985 OH TYR A 64 31.112 -4.557 -3.982 1.00 0.00 O ATOM 0 H TYR A 64 33.209 -2.837 1.242 1.00 0.00 H new ATOM 0 HA TYR A 64 35.175 -2.161 0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 64 33.546 0.085 -0.829 1.00 0.00 H new ATOM 0 HB3 TYR A 64 35.033 -0.607 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 64 34.719 -3.439 -1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 64 31.737 -0.434 -2.177 1.00 0.00 H new ATOM 0 HE1 TYR A 64 33.409 -5.063 -2.795 1.00 0.00 H new ATOM 0 HE2 TYR A 64 30.425 -2.057 -3.518 1.00 0.00 H new ATOM 0 HH TYR A 64 30.169 -4.289 -3.991 1.00 0.00 H new ATOM 995 N GLY A 65 34.797 -0.227 2.617 1.00 0.00 N ATOM 996 CA GLY A 65 35.338 0.778 3.510 1.00 0.00 C ATOM 997 C GLY A 65 34.557 2.078 3.376 1.00 0.00 C ATOM 998 O GLY A 65 35.051 3.145 3.734 1.00 0.00 O ATOM 0 H GLY A 65 34.187 -0.908 3.069 1.00 0.00 H new ATOM 0 HA2 GLY A 65 35.292 0.422 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 65 36.389 0.952 3.279 1.00 0.00 H new ATOM 1002 N HIS A 66 33.331 1.986 2.856 1.00 0.00 N ATOM 1003 CA HIS A 66 32.491 3.153 2.675 1.00 0.00 C ATOM 1004 C HIS A 66 31.263 3.053 3.568 1.00 0.00 C ATOM 1005 O HIS A 66 30.838 1.956 3.925 1.00 0.00 O ATOM 1006 CB HIS A 66 32.085 3.263 1.208 1.00 0.00 C ATOM 1007 CG HIS A 66 33.266 3.387 0.286 1.00 0.00 C ATOM 1008 ND1 HIS A 66 34.585 3.481 0.666 1.00 0.00 N ATOM 1009 CD2 HIS A 66 33.221 3.427 -1.082 1.00 0.00 C ATOM 1010 CE1 HIS A 66 35.319 3.575 -0.458 1.00 0.00 C ATOM 1011 NE2 HIS A 66 34.534 3.547 -1.548 1.00 0.00 N ATOM 0 H HIS A 66 32.905 1.110 2.555 1.00 0.00 H new ATOM 0 HA HIS A 66 33.045 4.049 2.955 1.00 0.00 H new ATOM 0 HB2 HIS A 66 31.503 2.384 0.930 1.00 0.00 H new ATOM 0 HB3 HIS A 66 31.436 4.129 1.079 1.00 0.00 H new ATOM 0 HD1 HIS A 66 34.940 3.480 1.622 1.00 0.00 H new ATOM 0 HD2 HIS A 66 32.331 3.375 -1.692 1.00 0.00 H new ATOM 0 HE1 HIS A 66 36.395 3.661 -0.481 1.00 0.00 H new ATOM 1019 N MET A 67 30.692 4.204 3.931 1.00 0.00 N ATOM 1020 CA MET A 67 29.519 4.240 4.780 1.00 0.00 C ATOM 1021 C MET A 67 28.379 4.945 4.061 1.00 0.00 C ATOM 1022 O MET A 67 28.550 6.051 3.553 1.00 0.00 O ATOM 1023 CB MET A 67 29.858 4.955 6.085 1.00 0.00 C ATOM 1024 CG MET A 67 30.184 6.417 5.793 1.00 0.00 C ATOM 1025 SD MET A 67 31.670 7.021 6.633 1.00 0.00 S ATOM 1026 CE MET A 67 32.923 6.404 5.481 1.00 0.00 C ATOM 0 H MET A 67 31.031 5.122 3.644 1.00 0.00 H new ATOM 0 HA MET A 67 29.202 3.222 5.009 1.00 0.00 H new ATOM 0 HB2 MET A 67 29.018 4.890 6.777 1.00 0.00 H new ATOM 0 HB3 MET A 67 30.707 4.471 6.568 1.00 0.00 H new ATOM 0 HG2 MET A 67 30.310 6.543 4.718 1.00 0.00 H new ATOM 0 HG3 MET A 67 29.336 7.034 6.089 1.00 0.00 H new ATOM 0 HE1 MET A 67 33.819 6.124 6.034 1.00 0.00 H new ATOM 0 HE2 MET A 67 32.535 5.533 4.954 1.00 0.00 H new ATOM 0 HE3 MET A 67 33.170 7.184 4.761 1.00 0.00 H new ATOM 1036 N LEU A 68 27.209 4.302 4.019 1.00 0.00 N ATOM 1037 CA LEU A 68 26.047 4.868 3.365 1.00 0.00 C ATOM 1038 C LEU A 68 25.308 5.787 4.327 1.00 0.00 C ATOM 1039 O LEU A 68 25.398 5.619 5.542 1.00 0.00 O ATOM 1040 CB LEU A 68 25.137 3.742 2.884 1.00 0.00 C ATOM 1041 CG LEU A 68 25.814 2.992 1.741 1.00 0.00 C ATOM 1042 CD1 LEU A 68 24.981 1.768 1.372 1.00 0.00 C ATOM 1043 CD2 LEU A 68 25.932 3.912 0.529 1.00 0.00 C ATOM 0 H LEU A 68 27.050 3.384 4.435 1.00 0.00 H new ATOM 0 HA LEU A 68 26.361 5.457 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 68 24.923 3.058 3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 68 24.182 4.149 2.551 1.00 0.00 H new ATOM 0 HG LEU A 68 26.808 2.673 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.464 1.232 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.896 1.111 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 68 23.986 2.086 1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.416 3.377 -0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 68 24.938 4.231 0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.527 4.786 0.793 1.00 0.00 H new ATOM 1055 N ASP A 69 24.575 6.759 3.782 1.00 0.00 N ATOM 1056 CA ASP A 69 23.826 7.699 4.593 1.00 0.00 C ATOM 1057 C ASP A 69 23.022 8.627 3.694 1.00 0.00 C ATOM 1058 O ASP A 69 23.383 9.788 3.516 1.00 0.00 O ATOM 1059 CB ASP A 69 24.789 8.495 5.469 1.00 0.00 C ATOM 1060 CG ASP A 69 24.828 7.934 6.883 1.00 0.00 C ATOM 1061 OD1 ASP A 69 23.756 7.946 7.527 1.00 0.00 O ATOM 1062 OD2 ASP A 69 25.927 7.505 7.295 1.00 0.00 O ATOM 0 H ASP A 69 24.489 6.910 2.777 1.00 0.00 H new ATOM 0 HA ASP A 69 23.133 7.158 5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 69 25.789 8.468 5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 69 24.482 9.540 5.497 1.00 0.00 H new ATOM 1067 N ASP A 70 21.928 8.113 3.127 1.00 0.00 N ATOM 1068 CA ASP A 70 21.081 8.896 2.251 1.00 0.00 C ATOM 1069 C ASP A 70 20.003 8.007 1.646 1.00 0.00 C ATOM 1070 O ASP A 70 19.750 8.065 0.445 1.00 0.00 O ATOM 1071 CB ASP A 70 21.933 9.534 1.157 1.00 0.00 C ATOM 1072 CG ASP A 70 21.671 11.030 1.067 1.00 0.00 C ATOM 1073 OD1 ASP A 70 22.236 11.757 1.913 1.00 0.00 O ATOM 1074 OD2 ASP A 70 20.911 11.419 0.154 1.00 0.00 O ATOM 0 H ASP A 70 21.615 7.152 3.266 1.00 0.00 H new ATOM 0 HA ASP A 70 20.594 9.687 2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 70 22.989 9.358 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 70 21.713 9.064 0.199 1.00 0.00 H new ATOM 1079 N SER A 71 19.368 7.182 2.482 1.00 0.00 N ATOM 1080 CA SER A 71 18.323 6.289 2.026 1.00 0.00 C ATOM 1081 C SER A 71 16.959 6.856 2.397 1.00 0.00 C ATOM 1082 O SER A 71 15.935 6.224 2.152 1.00 0.00 O ATOM 1083 CB SER A 71 18.524 4.911 2.651 1.00 0.00 C ATOM 1084 OG SER A 71 18.521 5.029 4.056 1.00 0.00 O ATOM 0 H SER A 71 19.567 7.121 3.481 1.00 0.00 H new ATOM 0 HA SER A 71 18.370 6.192 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 71 17.731 4.235 2.330 1.00 0.00 H new ATOM 0 HB3 SER A 71 19.467 4.480 2.313 1.00 0.00 H new ATOM 0 HG SER A 71 18.648 4.145 4.459 1.00 0.00 H new ATOM 1090 N SER A 72 16.951 8.053 2.987 1.00 0.00 N ATOM 1091 CA SER A 72 15.718 8.698 3.386 1.00 0.00 C ATOM 1092 C SER A 72 15.330 9.752 2.358 1.00 0.00 C ATOM 1093 O SER A 72 14.274 10.370 2.466 1.00 0.00 O ATOM 1094 CB SER A 72 15.896 9.328 4.765 1.00 0.00 C ATOM 1095 OG SER A 72 16.527 10.582 4.630 1.00 0.00 O ATOM 0 H SER A 72 17.793 8.590 3.196 1.00 0.00 H new ATOM 0 HA SER A 72 14.918 7.959 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.927 9.447 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.493 8.675 5.401 1.00 0.00 H new ATOM 0 HG SER A 72 16.640 10.988 5.515 1.00 0.00 H new ATOM 1101 N SER A 73 16.189 9.953 1.357 1.00 0.00 N ATOM 1102 CA SER A 73 15.933 10.927 0.314 1.00 0.00 C ATOM 1103 C SER A 73 15.356 10.233 -0.911 1.00 0.00 C ATOM 1104 O SER A 73 15.556 9.034 -1.103 1.00 0.00 O ATOM 1105 CB SER A 73 17.230 11.651 -0.035 1.00 0.00 C ATOM 1106 OG SER A 73 17.286 12.876 0.661 1.00 0.00 O ATOM 0 H SER A 73 17.069 9.448 1.254 1.00 0.00 H new ATOM 0 HA SER A 73 15.207 11.660 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 73 18.087 11.031 0.228 1.00 0.00 H new ATOM 0 HB3 SER A 73 17.283 11.828 -1.109 1.00 0.00 H new ATOM 0 HG SER A 73 18.120 13.341 0.439 1.00 0.00 H new ATOM 1112 N GLU A 74 14.636 10.989 -1.743 1.00 0.00 N ATOM 1113 CA GLU A 74 14.037 10.443 -2.944 1.00 0.00 C ATOM 1114 C GLU A 74 15.123 10.081 -3.948 1.00 0.00 C ATOM 1115 O GLU A 74 15.033 9.060 -4.625 1.00 0.00 O ATOM 1116 CB GLU A 74 13.071 11.463 -3.538 1.00 0.00 C ATOM 1117 CG GLU A 74 11.861 10.740 -4.121 1.00 0.00 C ATOM 1118 CD GLU A 74 10.775 10.562 -3.069 1.00 0.00 C ATOM 1119 OE1 GLU A 74 9.999 11.524 -2.887 1.00 0.00 O ATOM 1120 OE2 GLU A 74 10.743 9.467 -2.468 1.00 0.00 O ATOM 0 H GLU A 74 14.458 11.983 -1.599 1.00 0.00 H new ATOM 0 HA GLU A 74 13.484 9.537 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.752 12.167 -2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.570 12.043 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.466 11.306 -4.965 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.164 9.766 -4.504 1.00 0.00 H new ATOM 1127 N GLN A 75 16.153 10.924 -4.042 1.00 0.00 N ATOM 1128 CA GLN A 75 17.250 10.691 -4.960 1.00 0.00 C ATOM 1129 C GLN A 75 18.483 10.240 -4.190 1.00 0.00 C ATOM 1130 O GLN A 75 19.079 11.024 -3.454 1.00 0.00 O ATOM 1131 CB GLN A 75 17.539 11.970 -5.741 1.00 0.00 C ATOM 1132 CG GLN A 75 17.470 13.169 -4.798 1.00 0.00 C ATOM 1133 CD GLN A 75 16.033 13.633 -4.614 1.00 0.00 C ATOM 1134 OE1 GLN A 75 15.352 13.952 -5.586 1.00 0.00 O ATOM 1135 NE2 GLN A 75 15.572 13.670 -3.361 1.00 0.00 N ATOM 0 H GLN A 75 16.243 11.775 -3.488 1.00 0.00 H new ATOM 0 HA GLN A 75 16.978 9.904 -5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 75 18.525 11.912 -6.202 1.00 0.00 H new ATOM 0 HB3 GLN A 75 16.816 12.087 -6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 75 17.897 12.901 -3.831 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.072 13.986 -5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 75 16.177 13.395 -2.587 1.00 0.00 H new ATOM 0 HE22 GLN A 75 14.615 13.973 -3.178 1.00 0.00 H new ATOM 1144 N CYS A 76 18.864 8.972 -4.359 1.00 0.00 N ATOM 1145 CA CYS A 76 20.020 8.423 -3.681 1.00 0.00 C ATOM 1146 C CYS A 76 21.291 9.034 -4.255 1.00 0.00 C ATOM 1147 O CYS A 76 21.511 8.994 -5.463 1.00 0.00 O ATOM 1148 CB CYS A 76 20.030 6.905 -3.842 1.00 0.00 C ATOM 1149 SG CYS A 76 21.090 6.046 -2.653 1.00 0.00 S ATOM 0 H CYS A 76 18.380 8.310 -4.965 1.00 0.00 H new ATOM 0 HA CYS A 76 19.972 8.662 -2.619 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.011 6.532 -3.740 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.360 6.659 -4.851 1.00 0.00 H new ATOM 1154 N VAL A 77 22.128 9.602 -3.383 1.00 0.00 N ATOM 1155 CA VAL A 77 23.369 10.219 -3.804 1.00 0.00 C ATOM 1156 C VAL A 77 24.542 9.534 -3.119 1.00 0.00 C ATOM 1157 O VAL A 77 24.773 9.737 -1.929 1.00 0.00 O ATOM 1158 CB VAL A 77 23.338 11.707 -3.468 1.00 0.00 C ATOM 1159 CG1 VAL A 77 23.193 11.884 -1.959 1.00 0.00 C ATOM 1160 CG2 VAL A 77 24.635 12.361 -3.935 1.00 0.00 C ATOM 0 H VAL A 77 21.959 9.643 -2.378 1.00 0.00 H new ATOM 0 HA VAL A 77 23.488 10.108 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 77 22.493 12.176 -3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 77 23.171 12.947 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 77 22.267 11.417 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A 77 24.038 11.415 -1.455 1.00 0.00 H new ATOM 0 HG21 VAL A 77 24.613 13.424 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 77 25.481 11.893 -3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 77 24.739 12.234 -5.013 1.00 0.00 H new ATOM 1170 N MET A 78 25.286 8.722 -3.873 1.00 0.00 N ATOM 1171 CA MET A 78 26.428 8.012 -3.333 1.00 0.00 C ATOM 1172 C MET A 78 27.532 8.999 -2.981 1.00 0.00 C ATOM 1173 O MET A 78 27.951 9.794 -3.821 1.00 0.00 O ATOM 1174 CB MET A 78 26.922 6.992 -4.354 1.00 0.00 C ATOM 1175 CG MET A 78 26.930 7.626 -5.742 1.00 0.00 C ATOM 1176 SD MET A 78 27.211 6.446 -7.086 1.00 0.00 S ATOM 1177 CE MET A 78 26.294 5.031 -6.428 1.00 0.00 C ATOM 0 H MET A 78 25.110 8.545 -4.862 1.00 0.00 H new ATOM 0 HA MET A 78 26.135 7.486 -2.424 1.00 0.00 H new ATOM 0 HB2 MET A 78 27.924 6.654 -4.091 1.00 0.00 H new ATOM 0 HB3 MET A 78 26.277 6.113 -4.347 1.00 0.00 H new ATOM 0 HG2 MET A 78 25.977 8.129 -5.906 1.00 0.00 H new ATOM 0 HG3 MET A 78 27.705 8.392 -5.776 1.00 0.00 H new ATOM 0 HE1 MET A 78 26.235 4.251 -7.187 1.00 0.00 H new ATOM 0 HE2 MET A 78 26.806 4.643 -5.547 1.00 0.00 H new ATOM 0 HE3 MET A 78 25.287 5.346 -6.153 1.00 0.00 H new ATOM 1187 N LYS A 79 28.004 8.948 -1.733 1.00 0.00 N ATOM 1188 CA LYS A 79 29.055 9.836 -1.278 1.00 0.00 C ATOM 1189 C LYS A 79 30.408 9.319 -1.745 1.00 0.00 C ATOM 1190 O LYS A 79 30.579 8.121 -1.963 1.00 0.00 O ATOM 1191 CB LYS A 79 29.011 9.935 0.244 1.00 0.00 C ATOM 1192 CG LYS A 79 28.172 11.144 0.651 1.00 0.00 C ATOM 1193 CD LYS A 79 27.384 10.814 1.915 1.00 0.00 C ATOM 1194 CE LYS A 79 28.148 11.316 3.137 1.00 0.00 C ATOM 1195 NZ LYS A 79 28.651 10.194 3.942 1.00 0.00 N ATOM 0 H LYS A 79 27.668 8.296 -1.024 1.00 0.00 H new ATOM 0 HA LYS A 79 28.904 10.830 -1.700 1.00 0.00 H new ATOM 0 HB2 LYS A 79 28.585 9.025 0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 79 30.021 10.029 0.642 1.00 0.00 H new ATOM 0 HG2 LYS A 79 28.817 12.005 0.826 1.00 0.00 H new ATOM 0 HG3 LYS A 79 27.490 11.415 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 79 26.398 11.278 1.873 1.00 0.00 H new ATOM 0 HD3 LYS A 79 27.227 9.738 1.988 1.00 0.00 H new ATOM 0 HE2 LYS A 79 28.982 11.941 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 79 27.496 11.942 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 29.167 10.562 4.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 27.851 9.612 4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 29.291 9.612 3.365 1.00 0.00 H new ATOM 1209 N GLU A 80 31.374 10.229 -1.901 1.00 0.00 N ATOM 1210 CA GLU A 80 32.704 9.860 -2.340 1.00 0.00 C ATOM 1211 C GLU A 80 33.519 9.352 -1.159 1.00 0.00 C ATOM 1212 O GLU A 80 33.717 10.071 -0.182 1.00 0.00 O ATOM 1213 CB GLU A 80 33.378 11.068 -2.983 1.00 0.00 C ATOM 1214 CG GLU A 80 33.580 12.157 -1.934 1.00 0.00 C ATOM 1215 CD GLU A 80 35.031 12.213 -1.479 1.00 0.00 C ATOM 1216 OE1 GLU A 80 35.898 12.370 -2.366 1.00 0.00 O ATOM 1217 OE2 GLU A 80 35.246 12.098 -0.253 1.00 0.00 O ATOM 0 H GLU A 80 31.250 11.226 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 80 32.638 9.060 -3.078 1.00 0.00 H new ATOM 0 HB2 GLU A 80 34.338 10.777 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 80 32.766 11.446 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 80 33.287 13.123 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 80 32.934 11.966 -1.077 1.00 0.00 H new ATOM 1224 N LYS A 81 33.993 8.108 -1.252 1.00 0.00 N ATOM 1225 CA LYS A 81 34.784 7.512 -0.194 1.00 0.00 C ATOM 1226 C LYS A 81 36.241 7.421 -0.624 1.00 0.00 C ATOM 1227 O LYS A 81 36.540 7.404 -1.816 1.00 0.00 O ATOM 1228 CB LYS A 81 34.231 6.128 0.134 1.00 0.00 C ATOM 1229 CG LYS A 81 32.856 6.270 0.781 1.00 0.00 C ATOM 1230 CD LYS A 81 31.774 6.121 -0.284 1.00 0.00 C ATOM 1231 CE LYS A 81 30.450 6.652 0.258 1.00 0.00 C ATOM 1232 NZ LYS A 81 30.653 7.885 1.034 1.00 0.00 N ATOM 0 H LYS A 81 33.838 7.499 -2.055 1.00 0.00 H new ATOM 0 HA LYS A 81 34.729 8.134 0.699 1.00 0.00 H new ATOM 0 HB2 LYS A 81 34.157 5.529 -0.774 1.00 0.00 H new ATOM 0 HB3 LYS A 81 34.909 5.604 0.807 1.00 0.00 H new ATOM 0 HG2 LYS A 81 32.726 5.513 1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 81 32.770 7.241 1.268 1.00 0.00 H new ATOM 0 HD2 LYS A 81 32.056 6.668 -1.184 1.00 0.00 H new ATOM 0 HD3 LYS A 81 31.669 5.074 -0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 81 29.767 6.847 -0.569 1.00 0.00 H new ATOM 0 HE3 LYS A 81 29.981 5.895 0.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 29.733 8.335 1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 31.113 7.655 1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 31.256 8.539 0.495 1.00 0.00 H new ATOM 1246 N LYS A 82 37.150 7.363 0.352 1.00 0.00 N ATOM 1247 CA LYS A 82 38.568 7.275 0.071 1.00 0.00 C ATOM 1248 C LYS A 82 38.863 6.002 -0.710 1.00 0.00 C ATOM 1249 O LYS A 82 38.874 4.911 -0.144 1.00 0.00 O ATOM 1250 CB LYS A 82 39.348 7.298 1.382 1.00 0.00 C ATOM 1251 CG LYS A 82 38.677 6.369 2.389 1.00 0.00 C ATOM 1252 CD LYS A 82 37.638 7.149 3.190 1.00 0.00 C ATOM 1253 CE LYS A 82 36.628 6.180 3.794 1.00 0.00 C ATOM 1254 NZ LYS A 82 35.493 6.903 4.389 1.00 0.00 N ATOM 0 H LYS A 82 36.919 7.376 1.345 1.00 0.00 H new ATOM 0 HA LYS A 82 38.875 8.127 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 82 40.377 6.983 1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 82 39.386 8.313 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 82 38.202 5.536 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 82 39.423 5.943 3.059 1.00 0.00 H new ATOM 0 HD2 LYS A 82 38.126 7.721 3.979 1.00 0.00 H new ATOM 0 HD3 LYS A 82 37.129 7.866 2.545 1.00 0.00 H new ATOM 0 HE2 LYS A 82 36.266 5.499 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 82 37.114 5.570 4.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 35.474 6.735 5.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 35.596 7.922 4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 34.605 6.564 3.966 1.00 0.00 H new ATOM 1268 N ASP A 83 39.104 6.144 -2.015 1.00 0.00 N ATOM 1269 CA ASP A 83 39.397 5.009 -2.867 1.00 0.00 C ATOM 1270 C ASP A 83 40.745 5.208 -3.544 1.00 0.00 C ATOM 1271 O ASP A 83 40.916 6.136 -4.329 1.00 0.00 O ATOM 1272 CB ASP A 83 38.288 4.853 -3.903 1.00 0.00 C ATOM 1273 CG ASP A 83 36.952 4.566 -3.233 1.00 0.00 C ATOM 1274 OD1 ASP A 83 36.847 3.483 -2.619 1.00 0.00 O ATOM 1275 OD2 ASP A 83 36.062 5.436 -3.346 1.00 0.00 O ATOM 0 H ASP A 83 39.100 7.042 -2.499 1.00 0.00 H new ATOM 0 HA ASP A 83 39.445 4.100 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 83 38.212 5.762 -4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 83 38.537 4.043 -4.588 1.00 0.00 H new ATOM 1280 N ASP A 84 41.704 4.331 -3.237 1.00 0.00 N ATOM 1281 CA ASP A 84 43.030 4.415 -3.816 1.00 0.00 C ATOM 1282 C ASP A 84 43.096 3.566 -5.077 1.00 0.00 C ATOM 1283 O ASP A 84 42.746 2.388 -5.054 1.00 0.00 O ATOM 1284 CB ASP A 84 44.060 3.946 -2.793 1.00 0.00 C ATOM 1285 CG ASP A 84 45.135 5.004 -2.580 1.00 0.00 C ATOM 1286 OD1 ASP A 84 45.761 5.389 -3.592 1.00 0.00 O ATOM 1287 OD2 ASP A 84 45.311 5.407 -1.410 1.00 0.00 O ATOM 0 H ASP A 84 41.578 3.555 -2.587 1.00 0.00 H new ATOM 0 HA ASP A 84 43.250 5.448 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 84 43.565 3.729 -1.846 1.00 0.00 H new ATOM 0 HB3 ASP A 84 44.520 3.018 -3.133 1.00 0.00 H new ATOM 1292 N GLY A 85 43.547 4.166 -6.181 1.00 0.00 N ATOM 1293 CA GLY A 85 43.655 3.460 -7.441 1.00 0.00 C ATOM 1294 C GLY A 85 42.422 3.714 -8.297 1.00 0.00 C ATOM 1295 O GLY A 85 42.399 3.378 -9.478 1.00 0.00 O ATOM 0 H GLY A 85 43.842 5.142 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 85 44.549 3.786 -7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 85 43.765 2.391 -7.258 1.00 0.00 H new ATOM 1299 N GLY A 86 41.391 4.312 -7.693 1.00 0.00 N ATOM 1300 CA GLY A 86 40.162 4.607 -8.401 1.00 0.00 C ATOM 1301 C GLY A 86 39.148 5.239 -7.457 1.00 0.00 C ATOM 1302 O GLY A 86 39.414 5.395 -6.268 1.00 0.00 O ATOM 0 H GLY A 86 41.392 4.598 -6.714 1.00 0.00 H new ATOM 0 HA2 GLY A 86 40.366 5.282 -9.232 1.00 0.00 H new ATOM 0 HA3 GLY A 86 39.751 3.692 -8.827 1.00 0.00 H new ATOM 1306 N LEU A 87 37.979 5.600 -7.993 1.00 0.00 N ATOM 1307 CA LEU A 87 36.931 6.212 -7.200 1.00 0.00 C ATOM 1308 C LEU A 87 35.788 5.226 -7.007 1.00 0.00 C ATOM 1309 O LEU A 87 35.429 4.498 -7.930 1.00 0.00 O ATOM 1310 CB LEU A 87 36.441 7.478 -7.896 1.00 0.00 C ATOM 1311 CG LEU A 87 37.391 8.631 -7.584 1.00 0.00 C ATOM 1312 CD1 LEU A 87 37.580 8.739 -6.073 1.00 0.00 C ATOM 1313 CD2 LEU A 87 38.740 8.371 -8.248 1.00 0.00 C ATOM 0 H LEU A 87 37.742 5.475 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 87 37.322 6.481 -6.219 1.00 0.00 H new ATOM 0 HB2 LEU A 87 36.389 7.317 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 87 35.433 7.723 -7.561 1.00 0.00 H new ATOM 0 HG LEU A 87 36.971 9.562 -7.965 1.00 0.00 H new ATOM 0 HD11 LEU A 87 38.258 9.562 -5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 87 36.616 8.923 -5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 87 38.000 7.808 -5.691 1.00 0.00 H new ATOM 0 HD21 LEU A 87 39.419 9.194 -8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 87 39.160 7.440 -7.866 1.00 0.00 H new ATOM 0 HD23 LEU A 87 38.605 8.293 -9.327 1.00 0.00 H new ATOM 1325 N MET A 88 35.215 5.203 -5.801 1.00 0.00 N ATOM 1326 CA MET A 88 34.120 4.306 -5.494 1.00 0.00 C ATOM 1327 C MET A 88 33.032 5.057 -4.739 1.00 0.00 C ATOM 1328 O MET A 88 33.263 5.551 -3.638 1.00 0.00 O ATOM 1329 CB MET A 88 34.639 3.133 -4.667 1.00 0.00 C ATOM 1330 CG MET A 88 35.889 2.561 -5.328 1.00 0.00 C ATOM 1331 SD MET A 88 36.013 0.757 -5.228 1.00 0.00 S ATOM 1332 CE MET A 88 35.760 0.547 -3.449 1.00 0.00 C ATOM 0 H MET A 88 35.499 5.801 -5.025 1.00 0.00 H new ATOM 0 HA MET A 88 33.693 3.920 -6.420 1.00 0.00 H new ATOM 0 HB2 MET A 88 34.868 3.462 -3.653 1.00 0.00 H new ATOM 0 HB3 MET A 88 33.872 2.363 -4.587 1.00 0.00 H new ATOM 0 HG2 MET A 88 35.902 2.859 -6.377 1.00 0.00 H new ATOM 0 HG3 MET A 88 36.769 3.002 -4.861 1.00 0.00 H new ATOM 0 HE1 MET A 88 35.944 -0.492 -3.175 1.00 0.00 H new ATOM 0 HE2 MET A 88 36.449 1.193 -2.905 1.00 0.00 H new ATOM 0 HE3 MET A 88 34.734 0.813 -3.193 1.00 0.00 H new ATOM 1342 N PHE A 89 31.840 5.141 -5.336 1.00 0.00 N ATOM 1343 CA PHE A 89 30.725 5.830 -4.719 1.00 0.00 C ATOM 1344 C PHE A 89 29.613 4.837 -4.409 1.00 0.00 C ATOM 1345 O PHE A 89 29.229 4.043 -5.265 1.00 0.00 O ATOM 1346 CB PHE A 89 30.227 6.928 -5.654 1.00 0.00 C ATOM 1347 CG PHE A 89 31.160 8.111 -5.745 1.00 0.00 C ATOM 1348 CD1 PHE A 89 32.495 7.923 -6.121 1.00 0.00 C ATOM 1349 CD2 PHE A 89 30.691 9.398 -5.450 1.00 0.00 C ATOM 1350 CE1 PHE A 89 33.361 9.019 -6.204 1.00 0.00 C ATOM 1351 CE2 PHE A 89 31.557 10.494 -5.533 1.00 0.00 C ATOM 1352 CZ PHE A 89 32.892 10.305 -5.910 1.00 0.00 C ATOM 0 H PHE A 89 31.631 4.736 -6.249 1.00 0.00 H new ATOM 0 HA PHE A 89 31.047 6.287 -3.783 1.00 0.00 H new ATOM 0 HB2 PHE A 89 30.086 6.509 -6.650 1.00 0.00 H new ATOM 0 HB3 PHE A 89 29.251 7.271 -5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 89 32.857 6.931 -6.347 1.00 0.00 H new ATOM 0 HD2 PHE A 89 29.661 9.544 -5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 89 34.391 8.873 -6.495 1.00 0.00 H new ATOM 0 HE2 PHE A 89 31.195 11.486 -5.306 1.00 0.00 H new ATOM 0 HZ PHE A 89 33.560 11.151 -5.974 1.00 0.00 H new ATOM 1362 N MET A 90 29.094 4.884 -3.180 1.00 0.00 N ATOM 1363 CA MET A 90 28.033 3.989 -2.766 1.00 0.00 C ATOM 1364 C MET A 90 26.877 4.792 -2.184 1.00 0.00 C ATOM 1365 O MET A 90 27.090 5.807 -1.527 1.00 0.00 O ATOM 1366 CB MET A 90 28.574 3.001 -1.738 1.00 0.00 C ATOM 1367 CG MET A 90 28.844 3.730 -0.424 1.00 0.00 C ATOM 1368 SD MET A 90 29.069 2.628 0.995 1.00 0.00 S ATOM 1369 CE MET A 90 27.935 1.302 0.514 1.00 0.00 C ATOM 0 H MET A 90 29.398 5.538 -2.459 1.00 0.00 H new ATOM 0 HA MET A 90 27.666 3.433 -3.628 1.00 0.00 H new ATOM 0 HB2 MET A 90 27.856 2.196 -1.579 1.00 0.00 H new ATOM 0 HB3 MET A 90 29.491 2.542 -2.107 1.00 0.00 H new ATOM 0 HG2 MET A 90 29.736 4.346 -0.538 1.00 0.00 H new ATOM 0 HG3 MET A 90 28.014 4.406 -0.218 1.00 0.00 H new ATOM 0 HE1 MET A 90 27.637 0.740 1.399 1.00 0.00 H new ATOM 0 HE2 MET A 90 27.051 1.732 0.042 1.00 0.00 H new ATOM 0 HE3 MET A 90 28.433 0.634 -0.189 1.00 0.00 H new ATOM 1379 N CYS A 91 25.648 4.331 -2.431 1.00 0.00 N ATOM 1380 CA CYS A 91 24.465 5.003 -1.933 1.00 0.00 C ATOM 1381 C CYS A 91 23.427 3.974 -1.510 1.00 0.00 C ATOM 1382 O CYS A 91 23.451 2.838 -1.976 1.00 0.00 O ATOM 1383 CB CYS A 91 23.907 5.920 -3.018 1.00 0.00 C ATOM 1384 SG CYS A 91 22.645 7.075 -2.428 1.00 0.00 S ATOM 0 H CYS A 91 25.455 3.491 -2.976 1.00 0.00 H new ATOM 0 HA CYS A 91 24.724 5.607 -1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 91 24.728 6.488 -3.457 1.00 0.00 H new ATOM 0 HB3 CYS A 91 23.481 5.308 -3.813 1.00 0.00 H new ATOM 1389 N SER A 92 22.514 4.374 -0.622 1.00 0.00 N ATOM 1390 CA SER A 92 21.475 3.486 -0.143 1.00 0.00 C ATOM 1391 C SER A 92 20.132 4.204 -0.161 1.00 0.00 C ATOM 1392 O SER A 92 20.081 5.431 -0.109 1.00 0.00 O ATOM 1393 CB SER A 92 21.817 3.017 1.267 1.00 0.00 C ATOM 1394 OG SER A 92 21.971 4.137 2.111 1.00 0.00 O ATOM 0 H SER A 92 22.481 5.313 -0.224 1.00 0.00 H new ATOM 0 HA SER A 92 21.408 2.615 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 92 21.028 2.368 1.647 1.00 0.00 H new ATOM 0 HB3 SER A 92 22.735 2.429 1.254 1.00 0.00 H new ATOM 0 HG SER A 92 21.447 4.005 2.929 1.00 0.00 H new ATOM 1400 N CYS A 93 19.044 3.435 -0.234 1.00 0.00 N ATOM 1401 CA CYS A 93 17.708 3.997 -0.257 1.00 0.00 C ATOM 1402 C CYS A 93 16.678 2.883 -0.144 1.00 0.00 C ATOM 1403 O CYS A 93 16.801 1.852 -0.802 1.00 0.00 O ATOM 1404 CB CYS A 93 17.512 4.786 -1.548 1.00 0.00 C ATOM 1405 SG CYS A 93 17.921 3.858 -3.047 1.00 0.00 S ATOM 0 H CYS A 93 19.071 2.416 -0.278 1.00 0.00 H new ATOM 0 HA CYS A 93 17.578 4.672 0.589 1.00 0.00 H new ATOM 0 HB2 CYS A 93 16.474 5.113 -1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 93 18.128 5.684 -1.510 1.00 0.00 H new ATOM 1410 N THR A 94 15.660 3.092 0.693 1.00 0.00 N ATOM 1411 CA THR A 94 14.616 2.104 0.884 1.00 0.00 C ATOM 1412 C THR A 94 13.579 2.225 -0.223 1.00 0.00 C ATOM 1413 O THR A 94 12.653 1.421 -0.302 1.00 0.00 O ATOM 1414 CB THR A 94 13.971 2.305 2.253 1.00 0.00 C ATOM 1415 OG1 THR A 94 12.656 1.799 2.231 1.00 0.00 O ATOM 1416 CG2 THR A 94 13.939 3.795 2.586 1.00 0.00 C ATOM 0 H THR A 94 15.543 3.941 1.247 1.00 0.00 H new ATOM 0 HA THR A 94 15.046 1.103 0.842 1.00 0.00 H new ATOM 0 HB THR A 94 14.551 1.776 3.010 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.537 1.231 1.441 1.00 0.00 H new ATOM 0 HG21 THR A 94 13.479 3.940 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.956 4.186 2.603 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.359 4.324 1.830 1.00 0.00 H new ATOM 1424 N GLY A 95 13.738 3.234 -1.082 1.00 0.00 N ATOM 1425 CA GLY A 95 12.816 3.453 -2.179 1.00 0.00 C ATOM 1426 C GLY A 95 12.816 2.253 -3.115 1.00 0.00 C ATOM 1427 O GLY A 95 13.268 1.171 -2.745 1.00 0.00 O ATOM 0 H GLY A 95 14.501 3.909 -1.032 1.00 0.00 H new ATOM 0 HA2 GLY A 95 11.811 3.620 -1.791 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.099 4.351 -2.728 1.00 0.00 H new ATOM 1431 N GLU A 96 12.306 2.448 -4.333 1.00 0.00 N ATOM 1432 CA GLU A 96 12.251 1.383 -5.315 1.00 0.00 C ATOM 1433 C GLU A 96 13.362 1.563 -6.339 1.00 0.00 C ATOM 1434 O GLU A 96 13.412 2.574 -7.036 1.00 0.00 O ATOM 1435 CB GLU A 96 10.884 1.389 -5.994 1.00 0.00 C ATOM 1436 CG GLU A 96 10.249 0.008 -5.871 1.00 0.00 C ATOM 1437 CD GLU A 96 8.825 0.109 -5.343 1.00 0.00 C ATOM 1438 OE1 GLU A 96 8.685 0.206 -4.104 1.00 0.00 O ATOM 1439 OE2 GLU A 96 7.904 0.087 -6.186 1.00 0.00 O ATOM 0 H GLU A 96 11.927 3.338 -4.655 1.00 0.00 H new ATOM 0 HA GLU A 96 12.394 0.422 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.241 2.139 -5.534 1.00 0.00 H new ATOM 0 HB3 GLU A 96 10.989 1.660 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 96 10.246 -0.483 -6.844 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.846 -0.613 -5.202 1.00 0.00 H new ATOM 1446 N GLU A 97 14.256 0.575 -6.429 1.00 0.00 N ATOM 1447 CA GLU A 97 15.360 0.630 -7.367 1.00 0.00 C ATOM 1448 C GLU A 97 16.007 2.006 -7.330 1.00 0.00 C ATOM 1449 O GLU A 97 16.741 2.376 -8.243 1.00 0.00 O ATOM 1450 CB GLU A 97 14.849 0.310 -8.769 1.00 0.00 C ATOM 1451 CG GLU A 97 14.258 -1.097 -8.787 1.00 0.00 C ATOM 1452 CD GLU A 97 12.900 -1.107 -9.476 1.00 0.00 C ATOM 1453 OE1 GLU A 97 12.897 -1.223 -10.721 1.00 0.00 O ATOM 1454 OE2 GLU A 97 11.892 -0.999 -8.746 1.00 0.00 O ATOM 0 H GLU A 97 14.229 -0.270 -5.859 1.00 0.00 H new ATOM 0 HA GLU A 97 16.113 -0.107 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.093 1.037 -9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.663 0.383 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.938 -1.775 -9.304 1.00 0.00 H new ATOM 0 HG3 GLU A 97 14.155 -1.466 -7.766 1.00 0.00 H new ATOM 1461 N CYS A 98 15.731 2.766 -6.268 1.00 0.00 N ATOM 1462 CA CYS A 98 16.285 4.096 -6.113 1.00 0.00 C ATOM 1463 C CYS A 98 17.805 4.030 -6.173 1.00 0.00 C ATOM 1464 O CYS A 98 18.458 5.019 -6.497 1.00 0.00 O ATOM 1465 CB CYS A 98 15.821 4.690 -4.786 1.00 0.00 C ATOM 1466 SG CYS A 98 15.823 3.510 -3.413 1.00 0.00 S ATOM 0 H CYS A 98 15.123 2.473 -5.503 1.00 0.00 H new ATOM 0 HA CYS A 98 15.936 4.737 -6.923 1.00 0.00 H new ATOM 0 HB2 CYS A 98 16.466 5.531 -4.530 1.00 0.00 H new ATOM 0 HB3 CYS A 98 14.813 5.087 -4.909 1.00 0.00 H new ATOM 1471 N ASN A 99 18.366 2.860 -5.858 1.00 0.00 N ATOM 1472 CA ASN A 99 19.803 2.674 -5.878 1.00 0.00 C ATOM 1473 C ASN A 99 20.310 2.699 -7.314 1.00 0.00 C ATOM 1474 O ASN A 99 21.391 3.215 -7.586 1.00 0.00 O ATOM 1475 CB ASN A 99 20.152 1.350 -5.206 1.00 0.00 C ATOM 1476 CG ASN A 99 19.215 0.242 -5.667 1.00 0.00 C ATOM 1477 OD1 ASN A 99 18.294 0.490 -6.442 1.00 0.00 O ATOM 1478 ND2 ASN A 99 19.454 -0.982 -5.191 1.00 0.00 N ATOM 0 H ASN A 99 17.838 2.031 -5.587 1.00 0.00 H new ATOM 0 HA ASN A 99 20.285 3.484 -5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 99 21.182 1.080 -5.438 1.00 0.00 H new ATOM 0 HB3 ASN A 99 20.087 1.459 -4.123 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.859 -1.762 -5.469 1.00 0.00 H new ATOM 0 HD22 ASN A 99 20.232 -1.137 -4.550 1.00 0.00 H new ATOM 1485 N ASP A 100 19.521 2.139 -8.235 1.00 0.00 N ATOM 1486 CA ASP A 100 19.890 2.097 -9.635 1.00 0.00 C ATOM 1487 C ASP A 100 20.347 3.476 -10.087 1.00 0.00 C ATOM 1488 O ASP A 100 21.265 3.594 -10.896 1.00 0.00 O ATOM 1489 CB ASP A 100 18.698 1.624 -10.461 1.00 0.00 C ATOM 1490 CG ASP A 100 18.003 2.798 -11.135 1.00 0.00 C ATOM 1491 OD1 ASP A 100 18.588 3.322 -12.108 1.00 0.00 O ATOM 1492 OD2 ASP A 100 16.900 3.152 -10.663 1.00 0.00 O ATOM 0 H ASP A 100 18.620 1.709 -8.025 1.00 0.00 H new ATOM 0 HA ASP A 100 20.713 1.397 -9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.033 0.913 -11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.991 1.098 -9.819 1.00 0.00 H new ATOM 1497 N VAL A 101 19.704 4.522 -9.564 1.00 0.00 N ATOM 1498 CA VAL A 101 20.046 5.886 -9.915 1.00 0.00 C ATOM 1499 C VAL A 101 21.126 6.404 -8.977 1.00 0.00 C ATOM 1500 O VAL A 101 20.840 6.777 -7.842 1.00 0.00 O ATOM 1501 CB VAL A 101 18.797 6.759 -9.837 1.00 0.00 C ATOM 1502 CG1 VAL A 101 18.834 7.802 -10.950 1.00 0.00 C ATOM 1503 CG2 VAL A 101 17.555 5.887 -9.998 1.00 0.00 C ATOM 0 H VAL A 101 18.940 4.441 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 101 20.432 5.918 -10.934 1.00 0.00 H new ATOM 0 HB VAL A 101 18.765 7.261 -8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 101 17.942 8.426 -10.894 1.00 0.00 H new ATOM 0 HG12 VAL A 101 19.720 8.426 -10.835 1.00 0.00 H new ATOM 0 HG13 VAL A 101 18.866 7.301 -11.917 1.00 0.00 H new ATOM 0 HG21 VAL A 101 16.663 6.511 -9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 101 17.586 5.384 -10.965 1.00 0.00 H new ATOM 0 HG23 VAL A 101 17.528 5.143 -9.202 1.00 0.00 H new ATOM 1513 N LEU A 102 22.373 6.428 -9.454 1.00 0.00 N ATOM 1514 CA LEU A 102 23.488 6.899 -8.659 1.00 0.00 C ATOM 1515 C LEU A 102 23.716 8.382 -8.914 1.00 0.00 C ATOM 1516 O LEU A 102 24.073 8.776 -10.023 1.00 0.00 O ATOM 1517 CB LEU A 102 24.738 6.094 -9.006 1.00 0.00 C ATOM 1518 CG LEU A 102 24.579 5.486 -10.396 1.00 0.00 C ATOM 1519 CD1 LEU A 102 25.957 5.222 -10.996 1.00 0.00 C ATOM 1520 CD2 LEU A 102 23.811 4.172 -10.292 1.00 0.00 C ATOM 0 H LEU A 102 22.627 6.123 -10.394 1.00 0.00 H new ATOM 0 HA LEU A 102 23.265 6.762 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 102 25.618 6.737 -8.977 1.00 0.00 H new ATOM 0 HB3 LEU A 102 24.894 5.307 -8.268 1.00 0.00 H new ATOM 0 HG LEU A 102 24.030 6.178 -11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 102 25.844 4.788 -11.989 1.00 0.00 H new ATOM 0 HD12 LEU A 102 26.507 6.160 -11.071 1.00 0.00 H new ATOM 0 HD13 LEU A 102 26.505 4.530 -10.357 1.00 0.00 H new ATOM 0 HD21 LEU A 102 23.697 3.737 -11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 102 24.360 3.480 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 102 22.827 4.359 -9.863 1.00 0.00 H new ATOM 1532 N ILE A 103 23.507 9.206 -7.885 1.00 0.00 N ATOM 1533 CA ILE A 103 23.691 10.638 -8.000 1.00 0.00 C ATOM 1534 C ILE A 103 25.087 11.018 -7.528 1.00 0.00 C ATOM 1535 O ILE A 103 25.515 10.607 -6.452 1.00 0.00 O ATOM 1536 CB ILE A 103 22.626 11.355 -7.173 1.00 0.00 C ATOM 1537 CG1 ILE A 103 21.314 11.389 -7.952 1.00 0.00 C ATOM 1538 CG2 ILE A 103 23.083 12.781 -6.883 1.00 0.00 C ATOM 1539 CD1 ILE A 103 20.597 10.051 -7.801 1.00 0.00 C ATOM 0 H ILE A 103 23.208 8.895 -6.961 1.00 0.00 H new ATOM 0 HA ILE A 103 23.587 10.940 -9.042 1.00 0.00 H new ATOM 0 HB ILE A 103 22.476 10.823 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 103 20.681 12.196 -7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 103 21.509 11.592 -9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 103 22.323 13.294 -6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 103 24.020 12.757 -6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 103 23.233 13.313 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 103 19.660 10.075 -8.357 1.00 0.00 H new ATOM 0 HD12 ILE A 103 21.230 9.253 -8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 103 20.388 9.867 -6.747 1.00 0.00 H new ATOM 1551 N PHE A 104 25.798 11.806 -8.338 1.00 0.00 N ATOM 1552 CA PHE A 104 27.140 12.236 -7.998 1.00 0.00 C ATOM 1553 C PHE A 104 27.188 13.753 -7.899 1.00 0.00 C ATOM 1554 O PHE A 104 26.994 14.450 -8.892 1.00 0.00 O ATOM 1555 CB PHE A 104 28.117 11.732 -9.058 1.00 0.00 C ATOM 1556 CG PHE A 104 28.038 10.243 -9.292 1.00 0.00 C ATOM 1557 CD1 PHE A 104 26.914 9.692 -9.920 1.00 0.00 C ATOM 1558 CD2 PHE A 104 29.089 9.413 -8.884 1.00 0.00 C ATOM 1559 CE1 PHE A 104 26.842 8.311 -10.139 1.00 0.00 C ATOM 1560 CE2 PHE A 104 29.016 8.032 -9.103 1.00 0.00 C ATOM 1561 CZ PHE A 104 27.892 7.481 -9.731 1.00 0.00 C ATOM 0 H PHE A 104 25.458 12.155 -9.234 1.00 0.00 H new ATOM 0 HA PHE A 104 27.425 11.821 -7.031 1.00 0.00 H new ATOM 0 HB2 PHE A 104 27.921 12.250 -9.997 1.00 0.00 H new ATOM 0 HB3 PHE A 104 29.132 11.991 -8.757 1.00 0.00 H new ATOM 0 HD1 PHE A 104 26.103 10.332 -10.235 1.00 0.00 H new ATOM 0 HD2 PHE A 104 29.956 9.838 -8.400 1.00 0.00 H new ATOM 0 HE1 PHE A 104 25.975 7.886 -10.623 1.00 0.00 H new ATOM 0 HE2 PHE A 104 29.827 7.392 -8.788 1.00 0.00 H new ATOM 0 HZ PHE A 104 27.836 6.416 -9.900 1.00 0.00 H new ATOM 1571 N SER A 105 27.445 14.266 -6.693 1.00 0.00 N ATOM 1572 CA SER A 105 27.517 15.695 -6.470 1.00 0.00 C ATOM 1573 C SER A 105 28.739 16.026 -5.625 1.00 0.00 C ATOM 1574 O SER A 105 29.013 15.352 -4.635 1.00 0.00 O ATOM 1575 CB SER A 105 26.239 16.167 -5.782 1.00 0.00 C ATOM 1576 OG SER A 105 26.343 15.940 -4.394 1.00 0.00 O ATOM 0 H SER A 105 27.606 13.702 -5.858 1.00 0.00 H new ATOM 0 HA SER A 105 27.611 16.211 -7.425 1.00 0.00 H new ATOM 0 HB2 SER A 105 26.078 17.227 -5.977 1.00 0.00 H new ATOM 0 HB3 SER A 105 25.378 15.634 -6.185 1.00 0.00 H new ATOM 0 HG SER A 105 25.524 16.244 -3.950 1.00 0.00 H new ATOM 1582 N ALA A 106 29.474 17.069 -6.020 1.00 0.00 N ATOM 1583 CA ALA A 106 30.661 17.484 -5.299 1.00 0.00 C ATOM 1584 C ALA A 106 30.320 18.637 -4.366 1.00 0.00 C ATOM 1585 O ALA A 106 31.158 19.501 -4.113 1.00 0.00 O ATOM 1586 CB ALA A 106 31.741 17.895 -6.296 1.00 0.00 C ATOM 0 H ALA A 106 29.260 17.638 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 106 31.036 16.656 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 106 32.635 18.208 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA A 106 31.983 17.049 -6.939 1.00 0.00 H new ATOM 0 HB3 ALA A 106 31.378 18.722 -6.906 1.00 0.00 H new