USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 616 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 54 MET CE :methyl -166:sc= -1.72 (180deg=-1.78) USER MOD Set 1.2: A 74 CYS SG : rot 87:sc= 0.0591 USER MOD Set 1.3: A 77 MET CE :methyl -178:sc= -4.41! (180deg=-4.23!) USER MOD Set 2.1: A 64 MET CE :methyl -161:sc= -1.63 (180deg=-3.22) USER MOD Set 2.2: A 65 GLN : amide:sc= -4.28! C(o=-5.9!,f=-6.2!) USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 22:sc= 0.133 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.0355 X(o=0.036,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0641 K(o=-0.064,f=-1.4) USER MOD Single : A 26 SER OG : rot 180:sc= 0.037 USER MOD Single : A 27 SER OG : rot -44:sc= 0.561 USER MOD Single : A 28 SER OG : rot 180:sc= 0.282 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 34 CYS SG : rot -150:sc= -0.18 USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 38 HIS :FLIP no HE2:sc= -2.1! C(o=-3.8!,f=-2.1!) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.107 F(o=-1.1,f=-0.11) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00698 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -169:sc=-0.00743 (180deg=-0.212) USER MOD Single : A 56 SER OG : rot 112:sc= 0.317 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.31 X(o=-0.31,f=0) USER MOD Single : A 80 ASN : amide:sc= 1.12 K(o=1.1,f=0) USER MOD Single : A 83 THR OG1 : rot -27:sc= 0.0529 USER MOD ----------------------------------------------------------------- ATOM 98 N VAL A 8 -1.891 -10.794 4.074 1.00 0.00 N ATOM 99 CA VAL A 8 -2.534 -9.500 4.239 1.00 0.00 C ATOM 100 C VAL A 8 -2.612 -9.081 5.709 1.00 0.00 C ATOM 101 O VAL A 8 -3.650 -9.110 6.373 1.00 0.00 O ATOM 102 CB VAL A 8 -3.884 -9.522 3.516 1.00 0.00 C ATOM 103 CG1 VAL A 8 -3.655 -9.444 2.004 1.00 0.00 C ATOM 104 CG2 VAL A 8 -4.657 -10.798 3.865 1.00 0.00 C ATOM 0 HA VAL A 8 -1.928 -8.721 3.776 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.473 -8.663 3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.616 -9.460 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.129 -8.520 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.057 -10.297 1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.614 -10.798 3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.077 -11.669 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.830 -10.836 4.940 1.00 0.00 H new ATOM 114 N LYS A 9 -1.460 -8.672 6.207 1.00 0.00 N ATOM 115 CA LYS A 9 -1.192 -8.293 7.579 1.00 0.00 C ATOM 116 C LYS A 9 -1.300 -6.796 7.745 1.00 0.00 C ATOM 117 O LYS A 9 -0.343 -6.056 7.526 1.00 0.00 O ATOM 118 CB LYS A 9 0.151 -8.822 8.053 1.00 0.00 C ATOM 119 CG LYS A 9 1.264 -8.532 7.041 1.00 0.00 C ATOM 120 CD LYS A 9 2.015 -9.820 6.821 1.00 0.00 C ATOM 121 CE LYS A 9 3.056 -9.540 5.730 1.00 0.00 C ATOM 122 NZ LYS A 9 4.090 -10.591 5.635 1.00 0.00 N ATOM 0 H LYS A 9 -0.629 -8.591 5.621 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.949 -8.754 8.213 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.403 -8.368 9.011 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.081 -9.897 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.845 -8.166 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.932 -7.757 7.416 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.497 -10.149 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.337 -10.616 6.514 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.551 -9.447 4.769 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.536 -8.583 5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.764 -10.347 4.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.595 -10.664 6.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 3.640 -11.502 5.415 1.00 0.00 H new ATOM 136 N CYS A 10 -2.504 -6.355 8.064 1.00 0.00 N ATOM 137 CA CYS A 10 -2.823 -4.945 8.117 1.00 0.00 C ATOM 138 C CYS A 10 -2.037 -4.237 9.214 1.00 0.00 C ATOM 139 O CYS A 10 -2.004 -4.650 10.376 1.00 0.00 O ATOM 140 CB CYS A 10 -4.330 -4.801 8.195 1.00 0.00 C ATOM 141 SG CYS A 10 -5.018 -5.313 9.789 1.00 0.00 S ATOM 0 H CYS A 10 -3.287 -6.968 8.293 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.504 -4.432 7.209 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.599 -3.761 8.009 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.786 -5.395 7.403 1.00 0.00 H new ATOM 0 HG CYS A 10 -4.090 -5.263 10.698 1.00 0.00 H new ATOM 147 N THR A 11 -1.419 -3.135 8.839 1.00 0.00 N ATOM 148 CA THR A 11 -0.520 -2.318 9.623 1.00 0.00 C ATOM 149 C THR A 11 -0.812 -0.860 9.234 1.00 0.00 C ATOM 150 O THR A 11 -1.528 -0.651 8.261 1.00 0.00 O ATOM 151 CB THR A 11 0.900 -2.823 9.295 1.00 0.00 C ATOM 152 OG1 THR A 11 1.837 -2.269 10.182 1.00 0.00 O ATOM 153 CG2 THR A 11 1.341 -2.600 7.842 1.00 0.00 C ATOM 0 H THR A 11 -1.545 -2.758 7.899 1.00 0.00 H new ATOM 0 HA THR A 11 -0.637 -2.378 10.705 1.00 0.00 H new ATOM 0 HB THR A 11 0.858 -3.905 9.423 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.732 -2.601 9.961 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.351 -2.986 7.705 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.659 -3.122 7.171 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.327 -1.534 7.617 1.00 0.00 H new ATOM 161 N SER A 12 -0.327 0.118 10.003 1.00 0.00 N ATOM 162 CA SER A 12 -0.289 1.555 9.719 1.00 0.00 C ATOM 163 C SER A 12 -1.581 2.149 9.132 1.00 0.00 C ATOM 164 O SER A 12 -1.908 1.956 7.958 1.00 0.00 O ATOM 165 CB SER A 12 0.931 1.853 8.849 1.00 0.00 C ATOM 166 OG SER A 12 2.114 1.414 9.497 1.00 0.00 O ATOM 0 H SER A 12 0.082 -0.091 10.914 1.00 0.00 H new ATOM 0 HA SER A 12 -0.204 2.062 10.680 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.830 1.355 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.992 2.923 8.650 1.00 0.00 H new ATOM 0 HG SER A 12 2.889 1.608 8.930 1.00 0.00 H new ATOM 172 N VAL A 13 -2.335 2.930 9.915 1.00 0.00 N ATOM 173 CA VAL A 13 -3.562 3.571 9.422 1.00 0.00 C ATOM 174 C VAL A 13 -3.344 4.396 8.148 1.00 0.00 C ATOM 175 O VAL A 13 -4.300 4.573 7.396 1.00 0.00 O ATOM 176 CB VAL A 13 -4.256 4.422 10.497 1.00 0.00 C ATOM 177 CG1 VAL A 13 -4.798 3.549 11.632 1.00 0.00 C ATOM 178 CG2 VAL A 13 -3.357 5.537 11.042 1.00 0.00 C ATOM 0 H VAL A 13 -2.118 3.134 10.891 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.224 2.745 9.165 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.099 4.910 10.008 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.283 4.180 12.377 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.521 2.839 11.231 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.976 3.005 12.097 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.900 6.105 11.798 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.464 5.099 11.489 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.067 6.201 10.228 1.00 0.00 H new ATOM 188 N VAL A 14 -2.105 4.808 7.857 1.00 0.00 N ATOM 189 CA VAL A 14 -1.736 5.505 6.632 1.00 0.00 C ATOM 190 C VAL A 14 -2.299 4.808 5.387 1.00 0.00 C ATOM 191 O VAL A 14 -2.741 5.497 4.473 1.00 0.00 O ATOM 192 CB VAL A 14 -0.204 5.671 6.514 1.00 0.00 C ATOM 193 CG1 VAL A 14 0.106 6.854 5.602 1.00 0.00 C ATOM 194 CG2 VAL A 14 0.522 5.916 7.839 1.00 0.00 C ATOM 0 H VAL A 14 -1.316 4.660 8.486 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.182 6.498 6.689 1.00 0.00 H new ATOM 0 HB VAL A 14 0.156 4.721 6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.186 6.974 5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.318 6.673 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.328 7.761 6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.591 6.020 7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.143 6.829 8.298 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.349 5.074 8.509 1.00 0.00 H new ATOM 204 N LEU A 15 -2.339 3.466 5.327 1.00 0.00 N ATOM 205 CA LEU A 15 -2.951 2.812 4.163 1.00 0.00 C ATOM 206 C LEU A 15 -4.450 2.793 4.348 1.00 0.00 C ATOM 207 O LEU A 15 -5.216 3.163 3.466 1.00 0.00 O ATOM 208 CB LEU A 15 -2.517 1.352 3.898 1.00 0.00 C ATOM 209 CG LEU A 15 -1.038 0.947 3.929 1.00 0.00 C ATOM 210 CD1 LEU A 15 -0.083 2.130 3.791 1.00 0.00 C ATOM 211 CD2 LEU A 15 -0.713 0.160 5.196 1.00 0.00 C ATOM 0 H LEU A 15 -1.971 2.836 6.040 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.612 3.399 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.034 0.728 4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.902 1.078 2.916 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.885 0.312 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.946 1.772 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.264 2.635 2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.248 2.829 4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.342 -0.115 5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.925 0.775 6.071 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.323 -0.743 5.230 1.00 0.00 H new ATOM 223 N LEU A 16 -4.849 2.252 5.486 1.00 0.00 N ATOM 224 CA LEU A 16 -6.162 1.704 5.766 1.00 0.00 C ATOM 225 C LEU A 16 -7.235 2.781 5.815 1.00 0.00 C ATOM 226 O LEU A 16 -8.340 2.576 5.303 1.00 0.00 O ATOM 227 CB LEU A 16 -6.010 0.976 7.103 1.00 0.00 C ATOM 228 CG LEU A 16 -5.444 -0.449 6.915 1.00 0.00 C ATOM 229 CD1 LEU A 16 -4.640 -0.855 8.150 1.00 0.00 C ATOM 230 CD2 LEU A 16 -6.615 -1.373 6.584 1.00 0.00 C ATOM 0 H LEU A 16 -4.224 2.180 6.289 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.493 1.029 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.350 1.547 7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.979 0.921 7.600 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.739 -0.510 6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.243 -1.861 8.012 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.816 -0.156 8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.287 -0.838 9.027 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.248 -2.390 6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.335 -1.356 7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.099 -1.033 5.668 1.00 0.00 H new ATOM 242 N SER A 17 -6.888 3.923 6.399 1.00 0.00 N ATOM 243 CA SER A 17 -7.684 5.140 6.423 1.00 0.00 C ATOM 244 C SER A 17 -8.037 5.543 4.999 1.00 0.00 C ATOM 245 O SER A 17 -9.207 5.739 4.671 1.00 0.00 O ATOM 246 CB SER A 17 -6.915 6.250 7.153 1.00 0.00 C ATOM 247 OG SER A 17 -7.701 7.413 7.240 1.00 0.00 O ATOM 0 H SER A 17 -6.001 4.028 6.892 1.00 0.00 H new ATOM 0 HA SER A 17 -8.613 4.968 6.966 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.639 5.914 8.153 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.988 6.468 6.623 1.00 0.00 H new ATOM 0 HG SER A 17 -7.200 8.112 7.709 1.00 0.00 H new ATOM 253 N VAL A 18 -7.043 5.566 4.110 1.00 0.00 N ATOM 254 CA VAL A 18 -7.230 6.014 2.741 1.00 0.00 C ATOM 255 C VAL A 18 -8.268 5.157 2.013 1.00 0.00 C ATOM 256 O VAL A 18 -8.849 5.647 1.047 1.00 0.00 O ATOM 257 CB VAL A 18 -5.864 6.014 2.019 1.00 0.00 C ATOM 258 CG1 VAL A 18 -5.950 6.429 0.550 1.00 0.00 C ATOM 259 CG2 VAL A 18 -4.861 6.936 2.731 1.00 0.00 C ATOM 0 H VAL A 18 -6.089 5.274 4.324 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.622 7.031 2.742 1.00 0.00 H new ATOM 0 HB VAL A 18 -5.522 4.980 2.055 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.955 6.406 0.107 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.602 5.739 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.355 7.438 0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.909 6.916 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.248 7.955 2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.714 6.592 3.755 1.00 0.00 H new ATOM 269 N LEU A 19 -8.531 3.908 2.432 1.00 0.00 N ATOM 270 CA LEU A 19 -9.550 3.125 1.744 1.00 0.00 C ATOM 271 C LEU A 19 -10.926 3.391 2.355 1.00 0.00 C ATOM 272 O LEU A 19 -11.884 3.669 1.626 1.00 0.00 O ATOM 273 CB LEU A 19 -9.184 1.636 1.691 1.00 0.00 C ATOM 274 CG LEU A 19 -7.884 1.251 0.957 1.00 0.00 C ATOM 275 CD1 LEU A 19 -7.426 2.275 -0.091 1.00 0.00 C ATOM 276 CD2 LEU A 19 -6.805 0.903 1.975 1.00 0.00 C ATOM 0 H LEU A 19 -8.069 3.440 3.212 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.597 3.447 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.114 1.270 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.009 1.103 1.218 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.095 0.363 0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.505 1.928 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.200 2.389 -0.850 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.247 3.235 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.887 0.631 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.617 1.765 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.138 0.063 2.585 1.00 0.00 H new ATOM 288 N GLN A 20 -11.020 3.325 3.684 1.00 0.00 N ATOM 289 CA GLN A 20 -12.274 3.473 4.424 1.00 0.00 C ATOM 290 C GLN A 20 -12.813 4.906 4.401 1.00 0.00 C ATOM 291 O GLN A 20 -14.002 5.115 4.625 1.00 0.00 O ATOM 292 CB GLN A 20 -12.060 2.953 5.850 1.00 0.00 C ATOM 293 CG GLN A 20 -11.281 3.912 6.743 1.00 0.00 C ATOM 294 CD GLN A 20 -10.880 3.195 8.018 1.00 0.00 C ATOM 295 OE1 GLN A 20 -11.558 3.299 9.039 1.00 0.00 O ATOM 296 NE2 GLN A 20 -9.828 2.402 7.957 1.00 0.00 N ATOM 0 H GLN A 20 -10.213 3.164 4.287 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.046 2.880 3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.031 2.755 6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.530 2.002 5.804 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.395 4.274 6.222 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.891 4.784 6.979 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.287 2.338 7.095 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.556 1.852 8.772 1.00 0.00 H new ATOM 305 N GLN A 21 -11.973 5.885 4.073 1.00 0.00 N ATOM 306 CA GLN A 21 -12.331 7.281 3.907 1.00 0.00 C ATOM 307 C GLN A 21 -13.410 7.456 2.825 1.00 0.00 C ATOM 308 O GLN A 21 -14.113 8.465 2.846 1.00 0.00 O ATOM 309 CB GLN A 21 -11.013 8.023 3.599 1.00 0.00 C ATOM 310 CG GLN A 21 -11.131 9.447 3.054 1.00 0.00 C ATOM 311 CD GLN A 21 -9.784 9.981 2.599 1.00 0.00 C ATOM 312 OE1 GLN A 21 -9.511 10.054 1.404 1.00 0.00 O ATOM 313 NE2 GLN A 21 -8.875 10.287 3.512 1.00 0.00 N ATOM 0 H GLN A 21 -10.981 5.713 3.910 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.785 7.700 4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.422 8.058 4.514 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.450 7.430 2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.831 9.461 2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.541 10.100 3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.107 10.225 4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.943 10.585 3.224 1.00 0.00 H new ATOM 322 N LEU A 22 -13.540 6.513 1.881 1.00 0.00 N ATOM 323 CA LEU A 22 -14.435 6.644 0.737 1.00 0.00 C ATOM 324 C LEU A 22 -15.621 5.699 0.898 1.00 0.00 C ATOM 325 O LEU A 22 -16.705 6.153 1.272 1.00 0.00 O ATOM 326 CB LEU A 22 -13.697 6.443 -0.603 1.00 0.00 C ATOM 327 CG LEU A 22 -12.516 7.386 -0.895 1.00 0.00 C ATOM 328 CD1 LEU A 22 -12.879 8.857 -0.792 1.00 0.00 C ATOM 329 CD2 LEU A 22 -11.274 7.038 -0.075 1.00 0.00 C ATOM 0 H LEU A 22 -13.021 5.635 1.896 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.817 7.665 0.711 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.329 5.418 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.423 6.548 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.261 7.217 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.001 9.465 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -13.667 9.088 -1.509 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.230 9.075 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.471 7.733 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.507 7.111 0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.957 6.021 -0.308 1.00 0.00 H new ATOM 341 N ARG A 23 -15.435 4.413 0.566 1.00 0.00 N ATOM 342 CA ARG A 23 -16.463 3.366 0.514 1.00 0.00 C ATOM 343 C ARG A 23 -15.874 1.981 0.216 1.00 0.00 C ATOM 344 O ARG A 23 -16.548 1.160 -0.400 1.00 0.00 O ATOM 345 CB ARG A 23 -17.612 3.716 -0.473 1.00 0.00 C ATOM 346 CG ARG A 23 -17.382 3.661 -1.989 1.00 0.00 C ATOM 347 CD ARG A 23 -16.304 4.637 -2.413 1.00 0.00 C ATOM 348 NE ARG A 23 -16.044 4.573 -3.855 1.00 0.00 N ATOM 349 CZ ARG A 23 -16.655 5.273 -4.812 1.00 0.00 C ATOM 350 NH1 ARG A 23 -17.661 6.089 -4.508 1.00 0.00 N ATOM 351 NH2 ARG A 23 -16.252 5.168 -6.070 1.00 0.00 N ATOM 0 H ARG A 23 -14.513 4.057 0.313 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.897 3.321 1.513 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.443 3.047 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.944 4.727 -0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -17.097 2.650 -2.280 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.311 3.892 -2.510 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.604 5.649 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.385 4.421 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.318 3.924 -4.159 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.968 6.181 -3.540 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.125 6.622 -5.243 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.474 4.552 -6.307 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.719 5.703 -6.802 1.00 0.00 H new ATOM 365 N VAL A 24 -14.604 1.731 0.561 1.00 0.00 N ATOM 366 CA VAL A 24 -13.955 0.469 0.221 1.00 0.00 C ATOM 367 C VAL A 24 -14.784 -0.718 0.710 1.00 0.00 C ATOM 368 O VAL A 24 -15.511 -0.654 1.702 1.00 0.00 O ATOM 369 CB VAL A 24 -12.516 0.406 0.760 1.00 0.00 C ATOM 370 CG1 VAL A 24 -12.486 0.393 2.291 1.00 0.00 C ATOM 371 CG2 VAL A 24 -11.741 -0.804 0.208 1.00 0.00 C ATOM 0 H VAL A 24 -14.012 2.386 1.073 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.893 0.412 -0.866 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.020 1.312 0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -11.452 0.348 2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -12.956 1.300 2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.028 -0.478 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.731 -0.806 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.250 -1.724 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -11.693 -0.740 -0.879 1.00 0.00 H new ATOM 381 N GLU A 25 -14.608 -1.832 0.024 1.00 0.00 N ATOM 382 CA GLU A 25 -15.236 -3.093 0.304 1.00 0.00 C ATOM 383 C GLU A 25 -14.141 -3.997 0.849 1.00 0.00 C ATOM 384 O GLU A 25 -13.204 -4.341 0.126 1.00 0.00 O ATOM 385 CB GLU A 25 -15.877 -3.594 -0.994 1.00 0.00 C ATOM 386 CG GLU A 25 -16.918 -2.566 -1.471 1.00 0.00 C ATOM 387 CD GLU A 25 -17.606 -2.976 -2.767 1.00 0.00 C ATOM 388 OE1 GLU A 25 -18.098 -4.124 -2.858 1.00 0.00 O ATOM 389 OE2 GLU A 25 -17.626 -2.148 -3.704 1.00 0.00 O ATOM 0 H GLU A 25 -13.988 -1.875 -0.785 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.035 -3.046 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -15.114 -3.739 -1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -16.352 -4.561 -0.830 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -17.670 -2.431 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.430 -1.602 -1.614 1.00 0.00 H new ATOM 396 N SER A 26 -14.225 -4.354 2.130 1.00 0.00 N ATOM 397 CA SER A 26 -13.369 -5.373 2.724 1.00 0.00 C ATOM 398 C SER A 26 -13.568 -6.713 2.008 1.00 0.00 C ATOM 399 O SER A 26 -12.613 -7.469 1.839 1.00 0.00 O ATOM 400 CB SER A 26 -13.672 -5.465 4.224 1.00 0.00 C ATOM 401 OG SER A 26 -15.071 -5.420 4.454 1.00 0.00 O ATOM 0 H SER A 26 -14.891 -3.942 2.784 1.00 0.00 H new ATOM 0 HA SER A 26 -12.320 -5.103 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.261 -6.390 4.627 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.185 -4.644 4.750 1.00 0.00 H new ATOM 0 HG SER A 26 -15.246 -5.482 5.416 1.00 0.00 H new ATOM 407 N SER A 27 -14.775 -6.969 1.490 1.00 0.00 N ATOM 408 CA SER A 27 -15.109 -8.083 0.611 1.00 0.00 C ATOM 409 C SER A 27 -14.505 -7.934 -0.806 1.00 0.00 C ATOM 410 O SER A 27 -15.051 -8.509 -1.752 1.00 0.00 O ATOM 411 CB SER A 27 -16.640 -8.244 0.585 1.00 0.00 C ATOM 412 OG SER A 27 -17.013 -9.451 -0.056 1.00 0.00 O ATOM 0 H SER A 27 -15.580 -6.373 1.685 1.00 0.00 H new ATOM 0 HA SER A 27 -14.658 -8.993 1.008 1.00 0.00 H new ATOM 0 HB2 SER A 27 -17.028 -8.234 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 27 -17.089 -7.398 0.065 1.00 0.00 H new ATOM 0 HG SER A 27 -16.479 -9.568 -0.870 1.00 0.00 H new ATOM 418 N SER A 28 -13.427 -7.172 -1.006 1.00 0.00 N ATOM 419 CA SER A 28 -12.721 -7.065 -2.275 1.00 0.00 C ATOM 420 C SER A 28 -11.224 -7.200 -2.028 1.00 0.00 C ATOM 421 O SER A 28 -10.711 -6.841 -0.964 1.00 0.00 O ATOM 422 CB SER A 28 -13.057 -5.719 -2.938 1.00 0.00 C ATOM 423 OG SER A 28 -12.309 -5.525 -4.129 1.00 0.00 O ATOM 0 H SER A 28 -13.015 -6.600 -0.269 1.00 0.00 H new ATOM 0 HA SER A 28 -13.033 -7.863 -2.949 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.122 -5.680 -3.166 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.850 -4.907 -2.241 1.00 0.00 H new ATOM 0 HG SER A 28 -12.546 -4.662 -4.527 1.00 0.00 H new ATOM 429 N LYS A 29 -10.501 -7.594 -3.083 1.00 0.00 N ATOM 430 CA LYS A 29 -9.044 -7.527 -3.114 1.00 0.00 C ATOM 431 C LYS A 29 -8.546 -6.111 -2.907 1.00 0.00 C ATOM 432 O LYS A 29 -7.380 -5.925 -2.598 1.00 0.00 O ATOM 433 CB LYS A 29 -8.476 -8.124 -4.410 1.00 0.00 C ATOM 434 CG LYS A 29 -8.151 -7.160 -5.564 1.00 0.00 C ATOM 435 CD LYS A 29 -9.375 -6.551 -6.244 1.00 0.00 C ATOM 436 CE LYS A 29 -9.042 -5.124 -6.658 1.00 0.00 C ATOM 437 NZ LYS A 29 -9.974 -4.635 -7.692 1.00 0.00 N ATOM 0 H LYS A 29 -10.914 -7.968 -3.937 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.681 -8.132 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.563 -8.664 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.190 -8.860 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.525 -6.354 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.563 -7.693 -6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.656 -7.142 -7.116 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.228 -6.559 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.086 -4.470 -5.787 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.021 -5.082 -7.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.722 -3.661 -7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.913 -5.246 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.945 -4.653 -7.321 1.00 0.00 H new ATOM 451 N LEU A 30 -9.385 -5.110 -3.138 1.00 0.00 N ATOM 452 CA LEU A 30 -8.971 -3.723 -3.079 1.00 0.00 C ATOM 453 C LEU A 30 -8.405 -3.381 -1.703 1.00 0.00 C ATOM 454 O LEU A 30 -7.287 -2.893 -1.583 1.00 0.00 O ATOM 455 CB LEU A 30 -10.156 -2.834 -3.465 1.00 0.00 C ATOM 456 CG LEU A 30 -9.743 -1.409 -3.845 1.00 0.00 C ATOM 457 CD1 LEU A 30 -9.203 -0.580 -2.670 1.00 0.00 C ATOM 458 CD2 LEU A 30 -8.775 -1.428 -5.028 1.00 0.00 C ATOM 0 H LEU A 30 -10.369 -5.241 -3.371 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.165 -3.544 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.684 -3.288 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.857 -2.792 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.655 -0.895 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -8.933 0.416 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.970 -0.497 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.322 -1.069 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.493 -0.407 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.883 -1.994 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.258 -1.896 -5.886 1.00 0.00 H new ATOM 470 N TRP A 31 -9.154 -3.671 -0.647 1.00 0.00 N ATOM 471 CA TRP A 31 -8.695 -3.480 0.722 1.00 0.00 C ATOM 472 C TRP A 31 -7.360 -4.202 0.967 1.00 0.00 C ATOM 473 O TRP A 31 -6.475 -3.670 1.635 1.00 0.00 O ATOM 474 CB TRP A 31 -9.850 -3.984 1.597 1.00 0.00 C ATOM 475 CG TRP A 31 -9.582 -4.238 3.038 1.00 0.00 C ATOM 476 CD1 TRP A 31 -9.377 -3.304 3.988 1.00 0.00 C ATOM 477 CD2 TRP A 31 -9.527 -5.524 3.715 1.00 0.00 C ATOM 478 NE1 TRP A 31 -9.202 -3.924 5.213 1.00 0.00 N ATOM 479 CE2 TRP A 31 -9.302 -5.296 5.104 1.00 0.00 C ATOM 480 CE3 TRP A 31 -9.662 -6.861 3.289 1.00 0.00 C ATOM 481 CZ2 TRP A 31 -9.227 -6.352 6.029 1.00 0.00 C ATOM 482 CZ3 TRP A 31 -9.533 -7.930 4.195 1.00 0.00 C ATOM 483 CH2 TRP A 31 -9.307 -7.677 5.561 1.00 0.00 C ATOM 0 H TRP A 31 -10.100 -4.046 -0.716 1.00 0.00 H new ATOM 0 HA TRP A 31 -8.471 -2.439 0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -10.659 -3.256 1.532 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -10.220 -4.911 1.159 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -9.353 -2.237 3.819 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -9.022 -3.429 6.086 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -9.868 -7.068 2.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -9.110 -6.149 7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -9.608 -8.948 3.841 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -9.195 -8.500 6.251 1.00 0.00 H new ATOM 494 N ALA A 32 -7.176 -5.371 0.351 1.00 0.00 N ATOM 495 CA ALA A 32 -5.991 -6.195 0.512 1.00 0.00 C ATOM 496 C ALA A 32 -4.795 -5.713 -0.303 1.00 0.00 C ATOM 497 O ALA A 32 -3.664 -5.931 0.124 1.00 0.00 O ATOM 498 CB ALA A 32 -6.306 -7.597 0.038 1.00 0.00 C ATOM 0 H ALA A 32 -7.864 -5.774 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.726 -6.147 1.568 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.424 -8.227 0.153 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.124 -8.006 0.631 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.597 -7.569 -1.012 1.00 0.00 H new ATOM 504 N GLN A 33 -5.022 -5.102 -1.469 1.00 0.00 N ATOM 505 CA GLN A 33 -4.002 -4.565 -2.364 1.00 0.00 C ATOM 506 C GLN A 33 -3.061 -3.700 -1.555 1.00 0.00 C ATOM 507 O GLN A 33 -1.846 -3.854 -1.601 1.00 0.00 O ATOM 508 CB GLN A 33 -4.662 -3.708 -3.466 1.00 0.00 C ATOM 509 CG GLN A 33 -5.048 -4.523 -4.695 1.00 0.00 C ATOM 510 CD GLN A 33 -3.864 -4.564 -5.647 1.00 0.00 C ATOM 511 OE1 GLN A 33 -2.913 -5.304 -5.420 1.00 0.00 O ATOM 512 NE2 GLN A 33 -3.875 -3.741 -6.678 1.00 0.00 N ATOM 0 H GLN A 33 -5.967 -4.964 -1.828 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.457 -5.384 -2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.552 -3.226 -3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.976 -2.914 -3.762 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.333 -5.534 -4.403 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.913 -4.078 -5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.681 -3.138 -6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.077 -3.708 -7.313 1.00 0.00 H new ATOM 521 N CYS A 34 -3.664 -2.818 -0.776 1.00 0.00 N ATOM 522 CA CYS A 34 -2.920 -1.796 -0.062 1.00 0.00 C ATOM 523 C CYS A 34 -2.199 -2.413 1.133 1.00 0.00 C ATOM 524 O CYS A 34 -1.027 -2.120 1.366 1.00 0.00 O ATOM 525 CB CYS A 34 -3.890 -0.689 0.337 1.00 0.00 C ATOM 526 SG CYS A 34 -4.051 0.487 -1.020 1.00 0.00 S ATOM 0 H CYS A 34 -4.672 -2.790 -0.622 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.147 -1.359 -0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -4.863 -1.114 0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.531 -0.181 1.232 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.309 1.668 -0.542 1.00 0.00 H new ATOM 532 N VAL A 35 -2.894 -3.294 1.852 1.00 0.00 N ATOM 533 CA VAL A 35 -2.378 -4.046 2.980 1.00 0.00 C ATOM 534 C VAL A 35 -1.106 -4.810 2.566 1.00 0.00 C ATOM 535 O VAL A 35 -0.047 -4.579 3.153 1.00 0.00 O ATOM 536 CB VAL A 35 -3.533 -4.916 3.528 1.00 0.00 C ATOM 537 CG1 VAL A 35 -3.092 -6.021 4.485 1.00 0.00 C ATOM 538 CG2 VAL A 35 -4.572 -4.047 4.259 1.00 0.00 C ATOM 0 H VAL A 35 -3.871 -3.507 1.651 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.050 -3.406 3.799 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.959 -5.393 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.965 -6.581 4.820 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.404 -6.693 3.972 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.592 -5.578 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.375 -4.680 4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.094 -3.532 5.092 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.984 -3.312 3.567 1.00 0.00 H new ATOM 548 N GLN A 36 -1.174 -5.711 1.578 1.00 0.00 N ATOM 549 CA GLN A 36 0.000 -6.488 1.183 1.00 0.00 C ATOM 550 C GLN A 36 1.074 -5.596 0.565 1.00 0.00 C ATOM 551 O GLN A 36 2.255 -5.763 0.856 1.00 0.00 O ATOM 552 CB GLN A 36 -0.352 -7.684 0.281 1.00 0.00 C ATOM 553 CG GLN A 36 -1.079 -7.347 -1.031 1.00 0.00 C ATOM 554 CD GLN A 36 -0.283 -7.596 -2.313 1.00 0.00 C ATOM 555 OE1 GLN A 36 0.897 -7.017 -2.447 1.00 0.00 O flip ATOM 556 NE2 GLN A 36 -0.783 -8.254 -3.231 1.00 0.00 N flip ATOM 0 H GLN A 36 -2.019 -5.916 1.045 1.00 0.00 H new ATOM 0 HA GLN A 36 0.415 -6.916 2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 36 0.569 -8.213 0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -0.974 -8.373 0.852 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.998 -7.932 -1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.370 -6.297 -1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -1.695 -8.693 -3.106 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.284 -8.359 -4.114 1.00 0.00 H new ATOM 565 N LEU A 37 0.700 -4.671 -0.328 1.00 0.00 N ATOM 566 CA LEU A 37 1.700 -3.941 -1.100 1.00 0.00 C ATOM 567 C LEU A 37 2.503 -2.997 -0.202 1.00 0.00 C ATOM 568 O LEU A 37 3.669 -2.757 -0.496 1.00 0.00 O ATOM 569 CB LEU A 37 1.062 -3.250 -2.317 1.00 0.00 C ATOM 570 CG LEU A 37 2.039 -2.949 -3.478 1.00 0.00 C ATOM 571 CD1 LEU A 37 1.334 -3.029 -4.841 1.00 0.00 C ATOM 572 CD2 LEU A 37 2.675 -1.565 -3.376 1.00 0.00 C ATOM 0 H LEU A 37 -0.268 -4.418 -0.528 1.00 0.00 H new ATOM 0 HA LEU A 37 2.421 -4.650 -1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.256 -3.880 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.609 -2.314 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 37 2.816 -3.710 -3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.050 -2.812 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.928 -4.031 -4.982 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.523 -2.301 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.350 -1.412 -4.218 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.895 -0.804 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.235 -1.490 -2.444 1.00 0.00 H new ATOM 584 N HIS A 38 1.933 -2.502 0.911 1.00 0.00 N ATOM 585 CA HIS A 38 2.720 -1.758 1.893 1.00 0.00 C ATOM 586 C HIS A 38 3.883 -2.587 2.405 1.00 0.00 C ATOM 587 O HIS A 38 5.016 -2.104 2.407 1.00 0.00 O ATOM 588 CB HIS A 38 1.888 -1.281 3.082 1.00 0.00 C ATOM 589 CG HIS A 38 2.703 -0.483 4.080 1.00 0.00 C ATOM 590 ND1 HIS A 38 3.042 0.835 3.958 1.00 0.00 N flip ATOM 591 CD2 HIS A 38 3.254 -0.924 5.266 1.00 0.00 C flip ATOM 592 CE1 HIS A 38 3.771 1.211 5.081 1.00 0.00 C flip ATOM 593 NE2 HIS A 38 3.889 0.114 5.840 1.00 0.00 N flip ATOM 0 H HIS A 38 0.946 -2.605 1.145 1.00 0.00 H new ATOM 0 HA HIS A 38 3.094 -0.879 1.368 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.062 -0.669 2.721 1.00 0.00 H new ATOM 0 HB3 HIS A 38 1.450 -2.144 3.584 1.00 0.00 H new ATOM 0 HD1 HIS A 38 2.801 1.442 3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.187 -1.926 5.663 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.164 2.193 5.298 1.00 0.00 H new ATOM 601 N ASN A 39 3.613 -3.833 2.810 1.00 0.00 N ATOM 602 CA ASN A 39 4.685 -4.700 3.270 1.00 0.00 C ATOM 603 C ASN A 39 5.704 -4.812 2.153 1.00 0.00 C ATOM 604 O ASN A 39 6.898 -4.624 2.371 1.00 0.00 O ATOM 605 CB ASN A 39 4.253 -6.129 3.612 1.00 0.00 C ATOM 606 CG ASN A 39 3.010 -6.245 4.462 1.00 0.00 C ATOM 607 OD1 ASN A 39 2.058 -7.022 3.984 1.00 0.00 O flip ATOM 608 ND2 ASN A 39 2.903 -5.658 5.534 1.00 0.00 N flip ATOM 0 H ASN A 39 2.682 -4.250 2.826 1.00 0.00 H new ATOM 0 HA ASN A 39 5.068 -4.248 4.185 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.088 -6.673 2.682 1.00 0.00 H new ATOM 0 HB3 ASN A 39 5.074 -6.624 4.130 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.663 -5.066 5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.054 -5.762 6.090 1.00 0.00 H new ATOM 615 N ASP A 40 5.204 -5.103 0.951 1.00 0.00 N ATOM 616 CA ASP A 40 6.003 -5.450 -0.208 1.00 0.00 C ATOM 617 C ASP A 40 6.950 -4.321 -0.623 1.00 0.00 C ATOM 618 O ASP A 40 7.891 -4.606 -1.362 1.00 0.00 O ATOM 619 CB ASP A 40 5.141 -5.859 -1.419 1.00 0.00 C ATOM 620 CG ASP A 40 4.426 -7.215 -1.339 1.00 0.00 C ATOM 621 OD1 ASP A 40 4.543 -7.969 -0.341 1.00 0.00 O ATOM 622 OD2 ASP A 40 3.748 -7.557 -2.334 1.00 0.00 O ATOM 0 H ASP A 40 4.202 -5.102 0.760 1.00 0.00 H new ATOM 0 HA ASP A 40 6.597 -6.310 0.103 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.387 -5.087 -1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.779 -5.864 -2.303 1.00 0.00 H new ATOM 627 N ILE A 41 6.739 -3.077 -0.161 1.00 0.00 N ATOM 628 CA ILE A 41 7.698 -1.985 -0.332 1.00 0.00 C ATOM 629 C ILE A 41 8.954 -2.360 0.452 1.00 0.00 C ATOM 630 O ILE A 41 10.015 -2.603 -0.118 1.00 0.00 O ATOM 631 CB ILE A 41 7.156 -0.616 0.170 1.00 0.00 C ATOM 632 CG1 ILE A 41 5.788 -0.166 -0.379 1.00 0.00 C ATOM 633 CG2 ILE A 41 8.195 0.509 -0.032 1.00 0.00 C ATOM 634 CD1 ILE A 41 5.511 -0.411 -1.851 1.00 0.00 C ATOM 0 H ILE A 41 5.895 -2.805 0.342 1.00 0.00 H new ATOM 0 HA ILE A 41 7.901 -1.860 -1.396 1.00 0.00 H new ATOM 0 HB ILE A 41 6.981 -0.800 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.012 -0.669 0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.684 0.902 -0.190 1.00 0.00 H new ATOM 0 HG21 ILE A 41 7.785 1.452 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.102 0.271 0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.433 0.599 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.514 -0.046 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.251 0.116 -2.453 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.568 -1.479 -2.059 1.00 0.00 H new ATOM 646 N LEU A 42 8.842 -2.371 1.781 1.00 0.00 N ATOM 647 CA LEU A 42 9.967 -2.535 2.691 1.00 0.00 C ATOM 648 C LEU A 42 10.552 -3.938 2.536 1.00 0.00 C ATOM 649 O LEU A 42 11.723 -4.164 2.831 1.00 0.00 O ATOM 650 CB LEU A 42 9.498 -2.344 4.147 1.00 0.00 C ATOM 651 CG LEU A 42 8.773 -1.016 4.426 1.00 0.00 C ATOM 652 CD1 LEU A 42 8.268 -0.973 5.867 1.00 0.00 C ATOM 653 CD2 LEU A 42 9.666 0.195 4.159 1.00 0.00 C ATOM 0 H LEU A 42 7.948 -2.264 2.260 1.00 0.00 H new ATOM 0 HA LEU A 42 10.726 -1.790 2.452 1.00 0.00 H new ATOM 0 HB2 LEU A 42 8.833 -3.166 4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.365 -2.413 4.804 1.00 0.00 H new ATOM 0 HG LEU A 42 7.927 -0.966 3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.758 -0.026 6.046 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.574 -1.796 6.034 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.112 -1.065 6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 42 9.111 1.109 4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.545 0.148 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.979 0.193 3.115 1.00 0.00 H new ATOM 665 N LEU A 43 9.729 -4.900 2.103 1.00 0.00 N ATOM 666 CA LEU A 43 10.089 -6.300 1.958 1.00 0.00 C ATOM 667 C LEU A 43 10.619 -6.585 0.555 1.00 0.00 C ATOM 668 O LEU A 43 10.974 -7.740 0.291 1.00 0.00 O ATOM 669 CB LEU A 43 8.881 -7.215 2.257 1.00 0.00 C ATOM 670 CG LEU A 43 8.294 -7.226 3.687 1.00 0.00 C ATOM 671 CD1 LEU A 43 7.934 -8.655 4.107 1.00 0.00 C ATOM 672 CD2 LEU A 43 9.180 -6.572 4.752 1.00 0.00 C ATOM 0 H LEU A 43 8.763 -4.710 1.837 1.00 0.00 H new ATOM 0 HA LEU A 43 10.877 -6.513 2.680 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.079 -6.938 1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 43 9.171 -8.236 2.011 1.00 0.00 H new ATOM 0 HG LEU A 43 7.398 -6.608 3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.522 -8.645 5.116 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.194 -9.062 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.829 -9.277 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.685 -6.628 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.135 -7.095 4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.351 -5.527 4.492 1.00 0.00 H new ATOM 684 N ALA A 44 10.675 -5.582 -0.328 1.00 0.00 N ATOM 685 CA ALA A 44 11.253 -5.709 -1.657 1.00 0.00 C ATOM 686 C ALA A 44 12.714 -6.162 -1.576 1.00 0.00 C ATOM 687 O ALA A 44 13.323 -6.188 -0.502 1.00 0.00 O ATOM 688 CB ALA A 44 11.159 -4.379 -2.412 1.00 0.00 C ATOM 0 H ALA A 44 10.313 -4.649 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 44 10.686 -6.465 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.596 -4.492 -3.404 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.113 -4.088 -2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 44 11.701 -3.610 -1.862 1.00 0.00 H new ATOM 694 N LYS A 45 13.298 -6.509 -2.723 1.00 0.00 N ATOM 695 CA LYS A 45 14.730 -6.794 -2.799 1.00 0.00 C ATOM 696 C LYS A 45 15.447 -5.475 -2.553 1.00 0.00 C ATOM 697 O LYS A 45 16.078 -5.278 -1.514 1.00 0.00 O ATOM 698 CB LYS A 45 15.119 -7.404 -4.163 1.00 0.00 C ATOM 699 CG LYS A 45 14.325 -8.672 -4.506 1.00 0.00 C ATOM 700 CD LYS A 45 15.029 -10.016 -4.293 1.00 0.00 C ATOM 701 CE LYS A 45 15.493 -10.580 -5.640 1.00 0.00 C ATOM 702 NZ LYS A 45 16.884 -10.204 -5.957 1.00 0.00 N ATOM 0 H LYS A 45 12.803 -6.599 -3.610 1.00 0.00 H new ATOM 0 HA LYS A 45 15.015 -7.536 -2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.960 -6.661 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 45 16.183 -7.639 -4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.412 -8.671 -3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.024 -8.610 -5.552 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.884 -9.888 -3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.351 -10.719 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.407 -11.667 -5.625 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.833 -10.219 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.152 -10.609 -6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.963 -9.168 -5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.519 -10.570 -5.220 1.00 0.00 H new ATOM 716 N ASP A 46 15.289 -4.548 -3.496 1.00 0.00 N ATOM 717 CA ASP A 46 16.110 -3.361 -3.594 1.00 0.00 C ATOM 718 C ASP A 46 15.251 -2.127 -3.598 1.00 0.00 C ATOM 719 O ASP A 46 14.038 -2.165 -3.795 1.00 0.00 O ATOM 720 CB ASP A 46 16.940 -3.346 -4.882 1.00 0.00 C ATOM 721 CG ASP A 46 17.889 -4.537 -4.954 1.00 0.00 C ATOM 722 OD1 ASP A 46 18.814 -4.580 -4.112 1.00 0.00 O ATOM 723 OD2 ASP A 46 17.708 -5.452 -5.785 1.00 0.00 O ATOM 0 H ASP A 46 14.574 -4.609 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 46 16.775 -3.372 -2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 46 16.274 -3.359 -5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.513 -2.420 -4.935 1.00 0.00 H new ATOM 728 N THR A 47 15.941 -1.008 -3.486 1.00 0.00 N ATOM 729 CA THR A 47 15.430 0.327 -3.533 1.00 0.00 C ATOM 730 C THR A 47 14.534 0.558 -4.742 1.00 0.00 C ATOM 731 O THR A 47 13.429 1.070 -4.558 1.00 0.00 O ATOM 732 CB THR A 47 16.662 1.221 -3.562 1.00 0.00 C ATOM 733 OG1 THR A 47 17.375 1.022 -2.358 1.00 0.00 O ATOM 734 CG2 THR A 47 16.243 2.670 -3.723 1.00 0.00 C ATOM 0 H THR A 47 16.952 -1.023 -3.349 1.00 0.00 H new ATOM 0 HA THR A 47 14.794 0.541 -2.674 1.00 0.00 H new ATOM 0 HB THR A 47 17.304 0.970 -4.407 1.00 0.00 H new ATOM 0 HG1 THR A 47 18.175 1.587 -2.355 1.00 0.00 H new ATOM 0 HG21 THR A 47 17.129 3.305 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 47 15.691 2.788 -4.656 1.00 0.00 H new ATOM 0 HG23 THR A 47 15.608 2.960 -2.886 1.00 0.00 H new ATOM 742 N THR A 48 14.999 0.257 -5.962 1.00 0.00 N ATOM 743 CA THR A 48 14.215 0.620 -7.130 1.00 0.00 C ATOM 744 C THR A 48 12.883 -0.126 -7.073 1.00 0.00 C ATOM 745 O THR A 48 11.824 0.482 -7.216 1.00 0.00 O ATOM 746 CB THR A 48 15.014 0.437 -8.438 1.00 0.00 C ATOM 747 OG1 THR A 48 14.352 1.063 -9.524 1.00 0.00 O ATOM 748 CG2 THR A 48 15.323 -1.014 -8.819 1.00 0.00 C ATOM 0 H THR A 48 15.881 -0.219 -6.154 1.00 0.00 H new ATOM 0 HA THR A 48 13.984 1.685 -7.122 1.00 0.00 H new ATOM 0 HB THR A 48 15.974 0.912 -8.233 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.875 0.937 -10.343 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.887 -1.033 -9.752 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.912 -1.480 -8.029 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.390 -1.563 -8.948 1.00 0.00 H new ATOM 756 N GLU A 49 12.933 -1.424 -6.777 1.00 0.00 N ATOM 757 CA GLU A 49 11.742 -2.259 -6.798 1.00 0.00 C ATOM 758 C GLU A 49 10.819 -1.920 -5.628 1.00 0.00 C ATOM 759 O GLU A 49 9.605 -2.078 -5.739 1.00 0.00 O ATOM 760 CB GLU A 49 12.139 -3.744 -6.789 1.00 0.00 C ATOM 761 CG GLU A 49 11.052 -4.609 -7.454 1.00 0.00 C ATOM 762 CD GLU A 49 10.978 -4.337 -8.961 1.00 0.00 C ATOM 763 OE1 GLU A 49 11.825 -4.892 -9.692 1.00 0.00 O ATOM 764 OE2 GLU A 49 10.098 -3.563 -9.408 1.00 0.00 O ATOM 0 H GLU A 49 13.788 -1.917 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 49 11.189 -2.060 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.085 -3.875 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.296 -4.076 -5.763 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.266 -5.664 -7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.085 -4.400 -6.995 1.00 0.00 H new ATOM 771 N ALA A 50 11.378 -1.396 -4.531 1.00 0.00 N ATOM 772 CA ALA A 50 10.616 -0.999 -3.365 1.00 0.00 C ATOM 773 C ALA A 50 9.595 0.072 -3.730 1.00 0.00 C ATOM 774 O ALA A 50 8.482 0.019 -3.224 1.00 0.00 O ATOM 775 CB ALA A 50 11.554 -0.522 -2.250 1.00 0.00 C ATOM 0 H ALA A 50 12.381 -1.239 -4.437 1.00 0.00 H new ATOM 0 HA ALA A 50 10.068 -1.865 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.966 -0.227 -1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.231 -1.330 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.133 0.331 -2.602 1.00 0.00 H new ATOM 781 N PHE A 51 9.921 1.032 -4.605 1.00 0.00 N ATOM 782 CA PHE A 51 8.994 2.116 -4.926 1.00 0.00 C ATOM 783 C PHE A 51 8.305 1.926 -6.273 1.00 0.00 C ATOM 784 O PHE A 51 7.180 2.395 -6.426 1.00 0.00 O ATOM 785 CB PHE A 51 9.641 3.496 -4.761 1.00 0.00 C ATOM 786 CG PHE A 51 10.355 4.043 -5.974 1.00 0.00 C ATOM 787 CD1 PHE A 51 11.623 3.562 -6.343 1.00 0.00 C ATOM 788 CD2 PHE A 51 9.736 5.050 -6.734 1.00 0.00 C ATOM 789 CE1 PHE A 51 12.269 4.092 -7.470 1.00 0.00 C ATOM 790 CE2 PHE A 51 10.397 5.597 -7.843 1.00 0.00 C ATOM 791 CZ PHE A 51 11.667 5.124 -8.210 1.00 0.00 C ATOM 0 H PHE A 51 10.813 1.077 -5.098 1.00 0.00 H new ATOM 0 HA PHE A 51 8.193 2.071 -4.188 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.867 4.206 -4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.353 3.445 -3.937 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.099 2.787 -5.761 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.751 5.402 -6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 51 13.232 3.706 -7.770 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.928 6.384 -8.416 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.180 5.552 -9.059 1.00 0.00 H new ATOM 801 N GLU A 52 8.888 1.158 -7.197 1.00 0.00 N ATOM 802 CA GLU A 52 8.306 0.835 -8.504 1.00 0.00 C ATOM 803 C GLU A 52 6.907 0.210 -8.402 1.00 0.00 C ATOM 804 O GLU A 52 6.094 0.290 -9.330 1.00 0.00 O ATOM 805 CB GLU A 52 9.271 -0.096 -9.249 1.00 0.00 C ATOM 806 CG GLU A 52 10.358 0.712 -9.979 1.00 0.00 C ATOM 807 CD GLU A 52 9.987 0.953 -11.445 1.00 0.00 C ATOM 808 OE1 GLU A 52 8.804 1.230 -11.745 1.00 0.00 O ATOM 809 OE2 GLU A 52 10.915 0.888 -12.282 1.00 0.00 O ATOM 0 H GLU A 52 9.803 0.731 -7.053 1.00 0.00 H new ATOM 0 HA GLU A 52 8.171 1.765 -9.057 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.736 -0.785 -8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.718 -0.701 -9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 52 10.501 1.669 -9.477 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.307 0.179 -9.925 1.00 0.00 H new ATOM 816 N LYS A 53 6.590 -0.401 -7.261 1.00 0.00 N ATOM 817 CA LYS A 53 5.256 -0.916 -6.985 1.00 0.00 C ATOM 818 C LYS A 53 4.349 0.111 -6.306 1.00 0.00 C ATOM 819 O LYS A 53 3.162 0.119 -6.620 1.00 0.00 O ATOM 820 CB LYS A 53 5.356 -2.248 -6.237 1.00 0.00 C ATOM 821 CG LYS A 53 6.213 -2.166 -4.968 1.00 0.00 C ATOM 822 CD LYS A 53 6.192 -3.472 -4.171 1.00 0.00 C ATOM 823 CE LYS A 53 7.331 -4.434 -4.517 1.00 0.00 C ATOM 824 NZ LYS A 53 7.297 -4.983 -5.890 1.00 0.00 N ATOM 0 H LYS A 53 7.255 -0.551 -6.502 1.00 0.00 H new ATOM 0 HA LYS A 53 4.760 -1.114 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.354 -2.583 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.777 -3.001 -6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.241 -1.925 -5.241 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.851 -1.353 -4.339 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.240 -3.237 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.241 -3.975 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.279 -3.916 -4.374 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.311 -5.264 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.988 -5.756 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.344 -5.346 -6.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.535 -4.233 -6.570 1.00 0.00 H new ATOM 838 N MET A 54 4.845 0.999 -5.428 1.00 0.00 N ATOM 839 CA MET A 54 3.963 1.997 -4.811 1.00 0.00 C ATOM 840 C MET A 54 3.413 2.970 -5.847 1.00 0.00 C ATOM 841 O MET A 54 2.238 3.331 -5.778 1.00 0.00 O ATOM 842 CB MET A 54 4.596 2.754 -3.634 1.00 0.00 C ATOM 843 CG MET A 54 5.556 3.906 -3.961 1.00 0.00 C ATOM 844 SD MET A 54 6.161 4.814 -2.515 1.00 0.00 S ATOM 845 CE MET A 54 7.302 3.574 -1.869 1.00 0.00 C ATOM 0 H MET A 54 5.822 1.046 -5.138 1.00 0.00 H new ATOM 0 HA MET A 54 3.137 1.425 -4.388 1.00 0.00 H new ATOM 0 HB2 MET A 54 3.789 3.154 -3.019 1.00 0.00 H new ATOM 0 HB3 MET A 54 5.135 2.031 -3.022 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.411 3.506 -4.507 1.00 0.00 H new ATOM 0 HG3 MET A 54 5.051 4.605 -4.628 1.00 0.00 H new ATOM 0 HE1 MET A 54 7.589 3.838 -0.851 1.00 0.00 H new ATOM 0 HE2 MET A 54 6.816 2.598 -1.867 1.00 0.00 H new ATOM 0 HE3 MET A 54 8.191 3.535 -2.498 1.00 0.00 H new ATOM 855 N VAL A 55 4.238 3.364 -6.823 1.00 0.00 N ATOM 856 CA VAL A 55 3.851 4.272 -7.904 1.00 0.00 C ATOM 857 C VAL A 55 2.773 3.678 -8.819 1.00 0.00 C ATOM 858 O VAL A 55 2.038 4.383 -9.509 1.00 0.00 O ATOM 859 CB VAL A 55 5.091 4.659 -8.713 1.00 0.00 C ATOM 860 CG1 VAL A 55 6.040 5.496 -7.834 1.00 0.00 C ATOM 861 CG2 VAL A 55 5.849 3.491 -9.344 1.00 0.00 C ATOM 0 H VAL A 55 5.208 3.055 -6.883 1.00 0.00 H new ATOM 0 HA VAL A 55 3.413 5.160 -7.449 1.00 0.00 H new ATOM 0 HB VAL A 55 4.720 5.241 -9.557 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.923 5.771 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.527 6.399 -7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.342 4.911 -6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.710 3.871 -9.895 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.189 2.813 -8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.189 2.955 -10.026 1.00 0.00 H new ATOM 871 N SER A 56 2.662 2.362 -8.769 1.00 0.00 N ATOM 872 CA SER A 56 1.723 1.517 -9.475 1.00 0.00 C ATOM 873 C SER A 56 0.572 1.088 -8.543 1.00 0.00 C ATOM 874 O SER A 56 -0.179 0.165 -8.868 1.00 0.00 O ATOM 875 CB SER A 56 2.564 0.358 -10.020 1.00 0.00 C ATOM 876 OG SER A 56 3.547 0.866 -10.912 1.00 0.00 O ATOM 0 H SER A 56 3.285 1.811 -8.179 1.00 0.00 H new ATOM 0 HA SER A 56 1.218 2.021 -10.299 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.043 -0.175 -9.199 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.925 -0.359 -10.536 1.00 0.00 H new ATOM 0 HG SER A 56 4.436 0.760 -10.514 1.00 0.00 H new ATOM 882 N LEU A 57 0.393 1.767 -7.398 1.00 0.00 N ATOM 883 CA LEU A 57 -0.640 1.492 -6.401 1.00 0.00 C ATOM 884 C LEU A 57 -1.445 2.775 -6.248 1.00 0.00 C ATOM 885 O LEU A 57 -2.621 2.822 -6.601 1.00 0.00 O ATOM 886 CB LEU A 57 -0.022 0.901 -5.105 1.00 0.00 C ATOM 887 CG LEU A 57 -0.641 1.334 -3.747 1.00 0.00 C ATOM 888 CD1 LEU A 57 -0.868 0.158 -2.780 1.00 0.00 C ATOM 889 CD2 LEU A 57 0.269 2.374 -3.071 1.00 0.00 C ATOM 0 H LEU A 57 0.990 2.552 -7.137 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.334 0.709 -6.706 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.082 -0.185 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.036 1.161 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.619 1.760 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.302 0.529 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.548 -0.562 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.085 -0.327 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.168 2.676 -2.119 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.253 1.938 -2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.368 3.246 -3.717 1.00 0.00 H new ATOM 901 N LEU A 58 -0.795 3.867 -5.859 1.00 0.00 N ATOM 902 CA LEU A 58 -1.364 5.139 -5.408 1.00 0.00 C ATOM 903 C LEU A 58 -2.183 5.929 -6.439 1.00 0.00 C ATOM 904 O LEU A 58 -2.548 7.074 -6.195 1.00 0.00 O ATOM 905 CB LEU A 58 -0.182 5.964 -4.863 1.00 0.00 C ATOM 906 CG LEU A 58 0.581 6.792 -5.906 1.00 0.00 C ATOM 907 CD1 LEU A 58 1.832 7.430 -5.304 1.00 0.00 C ATOM 908 CD2 LEU A 58 0.919 6.097 -7.218 1.00 0.00 C ATOM 0 H LEU A 58 0.225 3.891 -5.849 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.117 4.920 -4.651 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.556 6.638 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.520 5.285 -4.379 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.140 7.559 -6.187 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.349 8.009 -6.069 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.546 8.087 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.495 6.649 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.457 6.788 -7.868 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.543 5.226 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.001 5.779 -7.709 1.00 0.00 H new ATOM 920 N SER A 59 -2.437 5.334 -7.596 1.00 0.00 N ATOM 921 CA SER A 59 -3.156 5.882 -8.731 1.00 0.00 C ATOM 922 C SER A 59 -4.165 4.859 -9.295 1.00 0.00 C ATOM 923 O SER A 59 -5.128 5.257 -9.955 1.00 0.00 O ATOM 924 CB SER A 59 -2.095 6.357 -9.733 1.00 0.00 C ATOM 925 OG SER A 59 -2.648 6.830 -10.939 1.00 0.00 O ATOM 0 H SER A 59 -2.120 4.382 -7.776 1.00 0.00 H new ATOM 0 HA SER A 59 -3.778 6.734 -8.456 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.502 7.149 -9.277 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.414 5.534 -9.950 1.00 0.00 H new ATOM 0 HG SER A 59 -1.928 7.120 -11.537 1.00 0.00 H new ATOM 931 N VAL A 60 -4.035 3.550 -9.018 1.00 0.00 N ATOM 932 CA VAL A 60 -5.086 2.605 -9.396 1.00 0.00 C ATOM 933 C VAL A 60 -6.313 2.829 -8.504 1.00 0.00 C ATOM 934 O VAL A 60 -7.442 2.830 -8.992 1.00 0.00 O ATOM 935 CB VAL A 60 -4.574 1.144 -9.447 1.00 0.00 C ATOM 936 CG1 VAL A 60 -4.000 0.557 -8.166 1.00 0.00 C ATOM 937 CG2 VAL A 60 -5.661 0.220 -10.009 1.00 0.00 C ATOM 0 H VAL A 60 -3.232 3.135 -8.546 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.402 2.797 -10.421 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.711 1.203 -10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.681 -0.470 -8.347 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.145 1.151 -7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.762 0.568 -7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.288 -0.804 -10.040 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.543 0.266 -9.371 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.925 0.540 -11.017 1.00 0.00 H new ATOM 947 N LEU A 61 -6.098 3.089 -7.209 1.00 0.00 N ATOM 948 CA LEU A 61 -7.153 3.167 -6.205 1.00 0.00 C ATOM 949 C LEU A 61 -7.946 4.431 -6.414 1.00 0.00 C ATOM 950 O LEU A 61 -9.168 4.423 -6.361 1.00 0.00 O ATOM 951 CB LEU A 61 -6.509 3.194 -4.820 1.00 0.00 C ATOM 952 CG LEU A 61 -5.732 1.891 -4.584 1.00 0.00 C ATOM 953 CD1 LEU A 61 -4.340 2.214 -4.112 1.00 0.00 C ATOM 954 CD2 LEU A 61 -6.464 0.956 -3.653 1.00 0.00 C ATOM 0 H LEU A 61 -5.166 3.253 -6.828 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.816 2.306 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.838 4.049 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.275 3.315 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.652 1.352 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.789 1.289 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.828 2.809 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.393 2.778 -3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.878 0.048 -3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.611 1.443 -2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.433 0.701 -4.082 1.00 0.00 H new ATOM 966 N LEU A 62 -7.244 5.528 -6.693 1.00 0.00 N ATOM 967 CA LEU A 62 -7.893 6.799 -6.966 1.00 0.00 C ATOM 968 C LEU A 62 -8.878 6.667 -8.117 1.00 0.00 C ATOM 969 O LEU A 62 -9.954 7.252 -8.067 1.00 0.00 O ATOM 970 CB LEU A 62 -6.859 7.862 -7.329 1.00 0.00 C ATOM 971 CG LEU A 62 -5.689 8.038 -6.350 1.00 0.00 C ATOM 972 CD1 LEU A 62 -5.026 9.392 -6.613 1.00 0.00 C ATOM 973 CD2 LEU A 62 -6.079 7.873 -4.875 1.00 0.00 C ATOM 0 H LEU A 62 -6.225 5.557 -6.735 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.426 7.096 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.450 7.620 -8.310 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.372 8.819 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.980 7.231 -6.535 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.193 9.529 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.658 9.424 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.755 10.189 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.198 8.012 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.832 8.616 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.484 6.874 -4.715 1.00 0.00 H new ATOM 985 N SER A 63 -8.556 5.824 -9.092 1.00 0.00 N ATOM 986 CA SER A 63 -9.400 5.563 -10.248 1.00 0.00 C ATOM 987 C SER A 63 -10.542 4.576 -9.921 1.00 0.00 C ATOM 988 O SER A 63 -11.174 4.014 -10.822 1.00 0.00 O ATOM 989 CB SER A 63 -8.481 5.107 -11.379 1.00 0.00 C ATOM 990 OG SER A 63 -8.974 5.568 -12.620 1.00 0.00 O ATOM 0 H SER A 63 -7.685 5.294 -9.099 1.00 0.00 H new ATOM 0 HA SER A 63 -9.926 6.464 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.473 5.488 -11.215 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.413 4.019 -11.387 1.00 0.00 H new ATOM 0 HG SER A 63 -8.378 5.272 -13.339 1.00 0.00 H new ATOM 996 N MET A 64 -10.806 4.332 -8.633 1.00 0.00 N ATOM 997 CA MET A 64 -11.985 3.642 -8.137 1.00 0.00 C ATOM 998 C MET A 64 -12.687 4.406 -6.997 1.00 0.00 C ATOM 999 O MET A 64 -13.749 3.964 -6.546 1.00 0.00 O ATOM 1000 CB MET A 64 -11.605 2.194 -7.762 1.00 0.00 C ATOM 1001 CG MET A 64 -11.182 1.967 -6.298 1.00 0.00 C ATOM 1002 SD MET A 64 -12.406 0.993 -5.374 1.00 0.00 S ATOM 1003 CE MET A 64 -11.883 1.364 -3.687 1.00 0.00 C ATOM 0 H MET A 64 -10.176 4.624 -7.885 1.00 0.00 H new ATOM 0 HA MET A 64 -12.731 3.602 -8.931 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.456 1.548 -7.978 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.789 1.874 -8.410 1.00 0.00 H new ATOM 0 HG2 MET A 64 -10.220 1.455 -6.275 1.00 0.00 H new ATOM 0 HG3 MET A 64 -11.042 2.931 -5.808 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.285 0.612 -3.008 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.794 1.357 -3.634 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.254 2.348 -3.399 1.00 0.00 H new ATOM 1013 N GLN A 65 -12.120 5.513 -6.486 1.00 0.00 N ATOM 1014 CA GLN A 65 -12.665 6.197 -5.311 1.00 0.00 C ATOM 1015 C GLN A 65 -12.350 7.691 -5.191 1.00 0.00 C ATOM 1016 O GLN A 65 -13.158 8.410 -4.603 1.00 0.00 O ATOM 1017 CB GLN A 65 -12.239 5.443 -4.038 1.00 0.00 C ATOM 1018 CG GLN A 65 -10.753 5.551 -3.645 1.00 0.00 C ATOM 1019 CD GLN A 65 -10.246 4.293 -2.935 1.00 0.00 C ATOM 1020 OE1 GLN A 65 -9.621 3.434 -3.536 1.00 0.00 O ATOM 1021 NE2 GLN A 65 -10.492 4.098 -1.652 1.00 0.00 N ATOM 0 H GLN A 65 -11.283 5.950 -6.873 1.00 0.00 H new ATOM 0 HA GLN A 65 -13.747 6.173 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -12.840 5.810 -3.206 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.483 4.389 -4.167 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.155 5.727 -4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.614 6.414 -2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.012 4.796 -1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.162 3.249 -1.193 1.00 0.00 H new ATOM 1030 N GLY A 66 -11.224 8.164 -5.730 1.00 0.00 N ATOM 1031 CA GLY A 66 -10.738 9.532 -5.585 1.00 0.00 C ATOM 1032 C GLY A 66 -10.404 9.867 -4.128 1.00 0.00 C ATOM 1033 O GLY A 66 -11.103 10.675 -3.521 1.00 0.00 O ATOM 0 H GLY A 66 -10.607 7.583 -6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.850 9.669 -6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.493 10.227 -5.954 1.00 0.00 H new ATOM 1037 N ALA A 67 -9.355 9.251 -3.566 1.00 0.00 N ATOM 1038 CA ALA A 67 -8.822 9.524 -2.220 1.00 0.00 C ATOM 1039 C ALA A 67 -7.822 10.705 -2.208 1.00 0.00 C ATOM 1040 O ALA A 67 -7.437 11.176 -3.281 1.00 0.00 O ATOM 1041 CB ALA A 67 -8.125 8.259 -1.710 1.00 0.00 C ATOM 0 H ALA A 67 -8.834 8.522 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.655 9.803 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.723 8.442 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.843 7.440 -1.667 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.312 7.994 -2.386 1.00 0.00 H new ATOM 1047 N VAL A 68 -7.328 11.131 -1.035 1.00 0.00 N ATOM 1048 CA VAL A 68 -6.405 12.274 -0.864 1.00 0.00 C ATOM 1049 C VAL A 68 -5.046 11.898 -0.247 1.00 0.00 C ATOM 1050 O VAL A 68 -3.991 12.151 -0.824 1.00 0.00 O ATOM 1051 CB VAL A 68 -7.080 13.399 -0.043 1.00 0.00 C ATOM 1052 CG1 VAL A 68 -7.830 14.350 -0.983 1.00 0.00 C ATOM 1053 CG2 VAL A 68 -8.022 12.908 1.063 1.00 0.00 C ATOM 0 H VAL A 68 -7.564 10.680 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.186 12.632 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.270 13.917 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.303 15.140 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.128 14.792 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.593 13.795 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.448 13.765 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.824 12.316 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.464 12.294 1.770 1.00 0.00 H new ATOM 1063 N ASP A 69 -5.047 11.288 0.934 1.00 0.00 N ATOM 1064 CA ASP A 69 -3.910 10.984 1.805 1.00 0.00 C ATOM 1065 C ASP A 69 -3.063 9.825 1.261 1.00 0.00 C ATOM 1066 O ASP A 69 -2.216 9.283 1.968 1.00 0.00 O ATOM 1067 CB ASP A 69 -4.456 10.799 3.241 1.00 0.00 C ATOM 1068 CG ASP A 69 -4.906 12.135 3.858 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -4.051 13.012 4.138 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -6.131 12.348 4.017 1.00 0.00 O ATOM 0 H ASP A 69 -5.922 10.963 1.346 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.197 11.808 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.297 10.105 3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.685 10.350 3.868 1.00 0.00 H new ATOM 1075 N ILE A 70 -3.218 9.470 -0.020 1.00 0.00 N ATOM 1076 CA ILE A 70 -2.569 8.320 -0.646 1.00 0.00 C ATOM 1077 C ILE A 70 -1.046 8.467 -0.682 1.00 0.00 C ATOM 1078 O ILE A 70 -0.306 7.489 -0.772 1.00 0.00 O ATOM 1079 CB ILE A 70 -3.166 8.111 -2.061 1.00 0.00 C ATOM 1080 CG1 ILE A 70 -2.996 6.687 -2.618 1.00 0.00 C ATOM 1081 CG2 ILE A 70 -2.576 9.076 -3.102 1.00 0.00 C ATOM 1082 CD1 ILE A 70 -3.959 5.676 -2.018 1.00 0.00 C ATOM 0 H ILE A 70 -3.814 9.990 -0.663 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.766 7.433 -0.044 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.227 8.308 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.135 6.710 -3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.974 6.355 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.030 8.885 -4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.780 10.104 -2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.499 8.925 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.779 4.696 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.805 5.622 -0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.984 5.984 -2.224 1.00 0.00 H new ATOM 1094 N ASN A 71 -0.570 9.708 -0.644 1.00 0.00 N ATOM 1095 CA ASN A 71 0.846 10.009 -0.756 1.00 0.00 C ATOM 1096 C ASN A 71 1.541 9.930 0.596 1.00 0.00 C ATOM 1097 O ASN A 71 2.763 9.923 0.643 1.00 0.00 O ATOM 1098 CB ASN A 71 1.016 11.398 -1.364 1.00 0.00 C ATOM 1099 CG ASN A 71 0.901 11.322 -2.880 1.00 0.00 C ATOM 1100 OD1 ASN A 71 1.881 11.262 -3.612 1.00 0.00 O ATOM 1101 ND2 ASN A 71 -0.313 11.260 -3.401 1.00 0.00 N ATOM 0 H ASN A 71 -1.160 10.533 -0.534 1.00 0.00 H new ATOM 0 HA ASN A 71 1.311 9.265 -1.403 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.257 12.073 -0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 71 1.986 11.810 -1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -0.431 11.162 -4.409 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.131 11.310 -2.794 1.00 0.00 H new ATOM 1108 N ARG A 72 0.791 9.831 1.696 1.00 0.00 N ATOM 1109 CA ARG A 72 1.358 9.926 3.042 1.00 0.00 C ATOM 1110 C ARG A 72 2.287 8.749 3.271 1.00 0.00 C ATOM 1111 O ARG A 72 3.449 8.928 3.625 1.00 0.00 O ATOM 1112 CB ARG A 72 0.230 9.933 4.080 1.00 0.00 C ATOM 1113 CG ARG A 72 -0.644 11.171 4.216 1.00 0.00 C ATOM 1114 CD ARG A 72 -0.437 12.207 3.132 1.00 0.00 C ATOM 1115 NE ARG A 72 -1.431 13.257 3.282 1.00 0.00 N ATOM 1116 CZ ARG A 72 -1.417 14.466 2.741 1.00 0.00 C ATOM 1117 NH1 ARG A 72 -0.357 14.965 2.123 1.00 0.00 N ATOM 1118 NH2 ARG A 72 -2.521 15.171 2.853 1.00 0.00 N ATOM 0 H ARG A 72 -0.218 9.684 1.679 1.00 0.00 H new ATOM 0 HA ARG A 72 1.924 10.852 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.426 9.091 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.679 9.739 5.054 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.690 10.864 4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.450 11.633 5.184 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.567 12.627 3.200 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.524 11.745 2.149 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.233 13.037 3.873 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.497 14.412 2.048 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.395 15.902 1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.329 14.780 3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.569 16.109 2.456 1.00 0.00 H new ATOM 1132 N LEU A 73 1.782 7.552 2.965 1.00 0.00 N ATOM 1133 CA LEU A 73 2.557 6.326 2.987 1.00 0.00 C ATOM 1134 C LEU A 73 3.741 6.432 2.027 1.00 0.00 C ATOM 1135 O LEU A 73 4.800 5.909 2.342 1.00 0.00 O ATOM 1136 CB LEU A 73 1.676 5.087 2.710 1.00 0.00 C ATOM 1137 CG LEU A 73 0.816 5.134 1.423 1.00 0.00 C ATOM 1138 CD1 LEU A 73 0.672 3.769 0.738 1.00 0.00 C ATOM 1139 CD2 LEU A 73 -0.610 5.640 1.706 1.00 0.00 C ATOM 0 H LEU A 73 0.809 7.413 2.692 1.00 0.00 H new ATOM 0 HA LEU A 73 2.959 6.188 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 73 2.323 4.211 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.011 4.942 3.561 1.00 0.00 H new ATOM 0 HG LEU A 73 1.353 5.818 0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.058 3.874 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.658 3.396 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.198 3.066 1.423 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.181 5.658 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.097 4.975 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -0.563 6.646 2.123 1.00 0.00 H new ATOM 1151 N CYS A 74 3.622 7.136 0.898 1.00 0.00 N ATOM 1152 CA CYS A 74 4.712 7.283 -0.061 1.00 0.00 C ATOM 1153 C CYS A 74 5.856 8.140 0.476 1.00 0.00 C ATOM 1154 O CYS A 74 6.988 7.946 0.047 1.00 0.00 O ATOM 1155 CB CYS A 74 4.195 7.848 -1.388 1.00 0.00 C ATOM 1156 SG CYS A 74 2.891 6.763 -2.054 1.00 0.00 S ATOM 0 H CYS A 74 2.766 7.619 0.626 1.00 0.00 H new ATOM 0 HA CYS A 74 5.115 6.285 -0.233 1.00 0.00 H new ATOM 0 HB2 CYS A 74 3.802 8.854 -1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.014 7.929 -2.103 1.00 0.00 H new ATOM 0 HG CYS A 74 1.743 7.105 -1.550 1.00 0.00 H new ATOM 1162 N GLU A 75 5.601 9.031 1.431 1.00 0.00 N ATOM 1163 CA GLU A 75 6.642 9.830 2.065 1.00 0.00 C ATOM 1164 C GLU A 75 7.116 9.173 3.373 1.00 0.00 C ATOM 1165 O GLU A 75 8.099 9.625 3.959 1.00 0.00 O ATOM 1166 CB GLU A 75 6.151 11.282 2.235 1.00 0.00 C ATOM 1167 CG GLU A 75 5.792 11.904 0.869 1.00 0.00 C ATOM 1168 CD GLU A 75 5.528 13.416 0.900 1.00 0.00 C ATOM 1169 OE1 GLU A 75 4.691 13.900 1.703 1.00 0.00 O ATOM 1170 OE2 GLU A 75 6.123 14.123 0.051 1.00 0.00 O ATOM 0 H GLU A 75 4.664 9.218 1.787 1.00 0.00 H new ATOM 0 HA GLU A 75 7.524 9.871 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.279 11.301 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 75 6.925 11.878 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 75 6.605 11.705 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.906 11.403 0.479 1.00 0.00 H new ATOM 1177 N GLU A 76 6.477 8.081 3.814 1.00 0.00 N ATOM 1178 CA GLU A 76 6.831 7.352 5.027 1.00 0.00 C ATOM 1179 C GLU A 76 7.588 6.066 4.651 1.00 0.00 C ATOM 1180 O GLU A 76 8.769 5.916 4.973 1.00 0.00 O ATOM 1181 CB GLU A 76 5.566 7.112 5.882 1.00 0.00 C ATOM 1182 CG GLU A 76 5.923 6.756 7.333 1.00 0.00 C ATOM 1183 CD GLU A 76 4.697 6.505 8.224 1.00 0.00 C ATOM 1184 OE1 GLU A 76 3.935 7.460 8.523 1.00 0.00 O ATOM 1185 OE2 GLU A 76 4.537 5.355 8.693 1.00 0.00 O ATOM 0 H GLU A 76 5.681 7.675 3.321 1.00 0.00 H new ATOM 0 HA GLU A 76 7.509 7.937 5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.942 8.006 5.869 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.977 6.306 5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.552 5.866 7.336 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.514 7.565 7.762 1.00 0.00 H new ATOM 1192 N MET A 77 6.950 5.128 3.947 1.00 0.00 N ATOM 1193 CA MET A 77 7.495 3.794 3.676 1.00 0.00 C ATOM 1194 C MET A 77 8.705 3.834 2.737 1.00 0.00 C ATOM 1195 O MET A 77 9.639 3.046 2.877 1.00 0.00 O ATOM 1196 CB MET A 77 6.387 2.871 3.149 1.00 0.00 C ATOM 1197 CG MET A 77 5.970 3.138 1.697 1.00 0.00 C ATOM 1198 SD MET A 77 4.272 2.635 1.334 1.00 0.00 S ATOM 1199 CE MET A 77 4.056 3.391 -0.284 1.00 0.00 C ATOM 0 H MET A 77 6.025 5.276 3.542 1.00 0.00 H new ATOM 0 HA MET A 77 7.865 3.386 4.616 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.723 1.837 3.232 1.00 0.00 H new ATOM 0 HB3 MET A 77 5.511 2.974 3.790 1.00 0.00 H new ATOM 0 HG2 MET A 77 6.079 4.202 1.485 1.00 0.00 H new ATOM 0 HG3 MET A 77 6.649 2.608 1.029 1.00 0.00 H new ATOM 0 HE1 MET A 77 3.042 3.206 -0.640 1.00 0.00 H new ATOM 0 HE2 MET A 77 4.224 4.465 -0.209 1.00 0.00 H new ATOM 0 HE3 MET A 77 4.771 2.960 -0.985 1.00 0.00 H new ATOM 1209 N LEU A 78 8.724 4.773 1.789 1.00 0.00 N ATOM 1210 CA LEU A 78 9.843 4.957 0.870 1.00 0.00 C ATOM 1211 C LEU A 78 11.086 5.383 1.659 1.00 0.00 C ATOM 1212 O LEU A 78 12.209 5.041 1.298 1.00 0.00 O ATOM 1213 CB LEU A 78 9.432 6.027 -0.157 1.00 0.00 C ATOM 1214 CG LEU A 78 10.019 5.909 -1.571 1.00 0.00 C ATOM 1215 CD1 LEU A 78 9.620 7.140 -2.377 1.00 0.00 C ATOM 1216 CD2 LEU A 78 11.531 5.766 -1.602 1.00 0.00 C ATOM 0 H LEU A 78 7.958 5.430 1.639 1.00 0.00 H new ATOM 0 HA LEU A 78 10.086 4.031 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.345 6.014 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.709 7.002 0.243 1.00 0.00 H new ATOM 0 HG LEU A 78 9.612 4.994 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.032 7.065 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 78 8.533 7.201 -2.434 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.009 8.035 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 78 11.868 5.688 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 78 11.989 6.638 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 78 11.823 4.868 -1.057 1.00 0.00 H new ATOM 1228 N ASP A 79 10.889 6.097 2.764 1.00 0.00 N ATOM 1229 CA ASP A 79 11.955 6.546 3.648 1.00 0.00 C ATOM 1230 C ASP A 79 12.401 5.409 4.567 1.00 0.00 C ATOM 1231 O ASP A 79 13.590 5.169 4.767 1.00 0.00 O ATOM 1232 CB ASP A 79 11.450 7.750 4.450 1.00 0.00 C ATOM 1233 CG ASP A 79 12.562 8.762 4.648 1.00 0.00 C ATOM 1234 OD1 ASP A 79 12.943 9.422 3.654 1.00 0.00 O ATOM 1235 OD2 ASP A 79 13.013 8.974 5.793 1.00 0.00 O ATOM 0 H ASP A 79 9.961 6.385 3.075 1.00 0.00 H new ATOM 0 HA ASP A 79 12.825 6.847 3.064 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.614 8.217 3.929 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.076 7.418 5.419 1.00 0.00 H new ATOM 1240 N ASN A 80 11.433 4.631 5.054 1.00 0.00 N ATOM 1241 CA ASN A 80 11.644 3.519 5.983 1.00 0.00 C ATOM 1242 C ASN A 80 12.415 2.347 5.372 1.00 0.00 C ATOM 1243 O ASN A 80 12.844 1.468 6.119 1.00 0.00 O ATOM 1244 CB ASN A 80 10.313 3.000 6.542 1.00 0.00 C ATOM 1245 CG ASN A 80 9.855 3.786 7.757 1.00 0.00 C ATOM 1246 OD1 ASN A 80 10.003 3.337 8.884 1.00 0.00 O ATOM 1247 ND2 ASN A 80 9.303 4.973 7.585 1.00 0.00 N ATOM 0 H ASN A 80 10.452 4.761 4.806 1.00 0.00 H new ATOM 0 HA ASN A 80 12.253 3.933 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.549 3.056 5.767 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.419 1.949 6.810 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.000 5.516 8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.180 5.347 6.644 1.00 0.00 H new ATOM 1254 N ARG A 81 12.621 2.288 4.051 1.00 0.00 N ATOM 1255 CA ARG A 81 13.595 1.365 3.469 1.00 0.00 C ATOM 1256 C ARG A 81 14.953 2.022 3.258 1.00 0.00 C ATOM 1257 O ARG A 81 15.975 1.345 3.300 1.00 0.00 O ATOM 1258 CB ARG A 81 13.056 0.772 2.175 1.00 0.00 C ATOM 1259 CG ARG A 81 12.826 1.783 1.048 1.00 0.00 C ATOM 1260 CD ARG A 81 13.709 1.498 -0.166 1.00 0.00 C ATOM 1261 NE ARG A 81 15.054 2.123 -0.133 1.00 0.00 N ATOM 1262 CZ ARG A 81 15.358 3.396 -0.441 1.00 0.00 C ATOM 1263 NH1 ARG A 81 14.404 4.288 -0.656 1.00 0.00 N ATOM 1264 NH2 ARG A 81 16.626 3.787 -0.525 1.00 0.00 N ATOM 0 H ARG A 81 12.128 2.866 3.370 1.00 0.00 H new ATOM 0 HA ARG A 81 13.750 0.554 4.181 1.00 0.00 H new ATOM 0 HB2 ARG A 81 13.753 0.011 1.824 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.114 0.268 2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.778 1.759 0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.029 2.789 1.416 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.830 0.419 -0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.189 1.840 -1.061 1.00 0.00 H new ATOM 0 HE ARG A 81 15.829 1.525 0.153 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.424 4.013 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.649 5.250 -0.889 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.378 3.119 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.847 4.755 -0.759 1.00 0.00 H new ATOM 1278 N ALA A 82 14.979 3.329 3.010 1.00 0.00 N ATOM 1279 CA ALA A 82 16.193 4.087 2.752 1.00 0.00 C ATOM 1280 C ALA A 82 17.116 4.086 3.970 1.00 0.00 C ATOM 1281 O ALA A 82 18.313 3.894 3.824 1.00 0.00 O ATOM 1282 CB ALA A 82 15.807 5.503 2.305 1.00 0.00 C ATOM 0 H ALA A 82 14.135 3.901 2.983 1.00 0.00 H new ATOM 0 HA ALA A 82 16.760 3.616 1.949 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.710 6.081 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.207 5.447 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.229 5.988 3.092 1.00 0.00 H new ATOM 1288 N THR A 83 16.542 4.170 5.163 1.00 0.00 N ATOM 1289 CA THR A 83 17.153 4.167 6.492 1.00 0.00 C ATOM 1290 C THR A 83 17.911 2.860 6.757 1.00 0.00 C ATOM 1291 O THR A 83 18.578 2.723 7.781 1.00 0.00 O ATOM 1292 CB THR A 83 16.031 4.442 7.524 1.00 0.00 C ATOM 1293 OG1 THR A 83 16.452 4.611 8.866 1.00 0.00 O ATOM 1294 CG2 THR A 83 15.036 3.291 7.568 1.00 0.00 C ATOM 0 H THR A 83 15.528 4.251 5.234 1.00 0.00 H new ATOM 0 HA THR A 83 17.907 4.950 6.573 1.00 0.00 H new ATOM 0 HB THR A 83 15.607 5.381 7.167 1.00 0.00 H new ATOM 0 HG1 THR A 83 17.291 4.125 9.009 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.259 3.510 8.300 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.583 3.164 6.585 1.00 0.00 H new ATOM 0 HG23 THR A 83 15.553 2.374 7.850 1.00 0.00 H new