USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 619 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 27 LYS NZ :NH3+ -126:sc= -0.545 (180deg=0) USER MOD Set 1.2: A 60 HIS : no HD1:sc= -3.4! C(o=-3.9!,f=-14!) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -33:sc= 0.0241 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0438 (180deg=-0.573) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 37 HIS : no HD1:sc= -2.01! C(o=-2!,f=-3.7!) USER MOD Single : A 41 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.5!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 45 HIS : no HD1:sc= -6.32! C(o=-6.3!,f=-14!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 56 LYS NZ :NH3+ -158:sc= -0.0626 (180deg=-0.7) USER MOD Single : A 57 CYS SG : rot -33:sc= 0.499 USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= -0.151 (180deg=-0.821) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.0198 X(o=0.02,f=0) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 95 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.15) USER MOD Single : A 96 LYS NZ :NH3+ 158:sc= -0.0926 (180deg=-0.705) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.6) USER MOD Single : A 101 ASN : amide:sc=-0.00261 K(o=-0.0026,f=-0.63) USER MOD Single : A 102 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 12.057 -0.405 -7.708 1.00 0.00 N ATOM 109 CA HIS A 20 11.167 0.678 -8.139 1.00 0.00 C ATOM 110 C HIS A 20 9.896 0.700 -7.286 1.00 0.00 C ATOM 111 O HIS A 20 9.353 1.760 -6.994 1.00 0.00 O ATOM 112 CB HIS A 20 10.809 0.510 -9.637 1.00 0.00 C ATOM 113 CG HIS A 20 10.003 1.702 -10.111 1.00 0.00 C ATOM 114 ND1 HIS A 20 8.628 1.656 -10.257 1.00 0.00 N ATOM 115 CD2 HIS A 20 10.374 2.986 -10.421 1.00 0.00 C ATOM 116 CE1 HIS A 20 8.221 2.880 -10.640 1.00 0.00 C ATOM 117 NE2 HIS A 20 9.247 3.728 -10.757 1.00 0.00 N ATOM 0 HA HIS A 20 11.685 1.628 -8.007 1.00 0.00 H new ATOM 0 HB2 HIS A 20 11.719 0.417 -10.229 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.238 -0.407 -9.783 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.386 3.363 -10.406 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.191 3.145 -10.830 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.211 4.709 -11.033 1.00 0.00 H new ATOM 125 N MET A 21 9.421 -0.490 -6.914 1.00 0.00 N ATOM 126 CA MET A 21 8.197 -0.627 -6.110 1.00 0.00 C ATOM 127 C MET A 21 8.368 0.051 -4.751 1.00 0.00 C ATOM 128 O MET A 21 7.642 0.985 -4.415 1.00 0.00 O ATOM 129 CB MET A 21 7.874 -2.133 -5.918 1.00 0.00 C ATOM 130 CG MET A 21 7.758 -2.850 -7.285 1.00 0.00 C ATOM 131 SD MET A 21 6.356 -2.184 -8.224 1.00 0.00 S ATOM 132 CE MET A 21 6.611 -3.135 -9.731 1.00 0.00 C ATOM 0 H MET A 21 9.864 -1.377 -7.155 1.00 0.00 H new ATOM 0 HA MET A 21 7.373 -0.141 -6.632 1.00 0.00 H new ATOM 0 HB2 MET A 21 8.655 -2.604 -5.321 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.941 -2.242 -5.365 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.680 -2.719 -7.852 1.00 0.00 H new ATOM 0 HG3 MET A 21 7.627 -3.921 -7.132 1.00 0.00 H new ATOM 0 HE1 MET A 21 5.843 -2.876 -10.459 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.594 -2.907 -10.143 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.551 -4.199 -9.504 1.00 0.00 H new ATOM 142 N ALA A 22 9.336 -0.437 -3.968 1.00 0.00 N ATOM 143 CA ALA A 22 9.599 0.120 -2.637 1.00 0.00 C ATOM 144 C ALA A 22 9.854 1.626 -2.721 1.00 0.00 C ATOM 145 O ALA A 22 9.309 2.404 -1.937 1.00 0.00 O ATOM 146 CB ALA A 22 10.827 -0.574 -2.016 1.00 0.00 C ATOM 0 H ALA A 22 9.946 -1.211 -4.230 1.00 0.00 H new ATOM 0 HA ALA A 22 8.723 -0.052 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.019 -0.157 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.635 -1.643 -1.928 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.697 -0.413 -2.653 1.00 0.00 H new ATOM 152 N SER A 23 10.688 2.030 -3.695 1.00 0.00 N ATOM 153 CA SER A 23 11.022 3.443 -3.887 1.00 0.00 C ATOM 154 C SER A 23 9.754 4.257 -4.075 1.00 0.00 C ATOM 155 O SER A 23 9.620 5.346 -3.532 1.00 0.00 O ATOM 156 CB SER A 23 11.920 3.614 -5.126 1.00 0.00 C ATOM 157 OG SER A 23 11.165 3.343 -6.297 1.00 0.00 O ATOM 0 H SER A 23 11.139 1.398 -4.356 1.00 0.00 H new ATOM 0 HA SER A 23 11.554 3.795 -3.003 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.318 4.628 -5.163 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.774 2.939 -5.066 1.00 0.00 H new ATOM 0 HG SER A 23 10.496 2.654 -6.102 1.00 0.00 H new ATOM 163 N LYS A 24 8.815 3.709 -4.855 1.00 0.00 N ATOM 164 CA LYS A 24 7.552 4.399 -5.117 1.00 0.00 C ATOM 165 C LYS A 24 6.827 4.710 -3.811 1.00 0.00 C ATOM 166 O LYS A 24 6.332 5.815 -3.602 1.00 0.00 O ATOM 167 CB LYS A 24 6.632 3.523 -6.019 1.00 0.00 C ATOM 168 CG LYS A 24 5.498 4.389 -6.675 1.00 0.00 C ATOM 169 CD LYS A 24 6.001 5.031 -8.007 1.00 0.00 C ATOM 170 CE LYS A 24 4.952 6.014 -8.548 1.00 0.00 C ATOM 171 NZ LYS A 24 3.668 5.289 -8.707 1.00 0.00 N ATOM 0 H LYS A 24 8.906 2.801 -5.310 1.00 0.00 H new ATOM 0 HA LYS A 24 7.780 5.333 -5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.227 3.047 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.187 2.725 -5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.625 3.767 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.183 5.171 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.944 5.551 -7.836 1.00 0.00 H new ATOM 0 HD3 LYS A 24 6.196 4.252 -8.744 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.831 6.854 -7.864 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.276 6.426 -9.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 3.036 5.834 -9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.846 4.355 -9.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.220 5.168 -7.776 1.00 0.00 H new ATOM 185 N ARG A 25 6.772 3.711 -2.933 1.00 0.00 N ATOM 186 CA ARG A 25 6.114 3.869 -1.639 1.00 0.00 C ATOM 187 C ARG A 25 6.855 4.892 -0.791 1.00 0.00 C ATOM 188 O ARG A 25 6.240 5.680 -0.070 1.00 0.00 O ATOM 189 CB ARG A 25 6.048 2.508 -0.911 1.00 0.00 C ATOM 190 CG ARG A 25 5.109 2.601 0.326 1.00 0.00 C ATOM 191 CD ARG A 25 5.021 1.241 1.030 1.00 0.00 C ATOM 192 NE ARG A 25 6.352 0.848 1.510 1.00 0.00 N ATOM 193 CZ ARG A 25 6.560 -0.325 2.117 1.00 0.00 C ATOM 194 NH1 ARG A 25 5.562 -1.151 2.294 1.00 0.00 N ATOM 195 NH2 ARG A 25 7.755 -0.645 2.528 1.00 0.00 N ATOM 0 H ARG A 25 7.174 2.787 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 25 5.098 4.229 -1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.685 1.740 -1.594 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.047 2.208 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.483 3.354 1.020 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.115 2.922 0.014 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.324 1.297 1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.634 0.489 0.343 1.00 0.00 H new ATOM 0 HE ARG A 25 7.137 1.486 1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.628 -0.900 1.969 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.717 -2.047 2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.533 -0.000 2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.912 -1.540 2.991 1.00 0.00 H new ATOM 209 N ASP A 26 8.189 4.854 -0.875 1.00 0.00 N ATOM 210 CA ASP A 26 9.033 5.771 -0.104 1.00 0.00 C ATOM 211 C ASP A 26 8.759 7.217 -0.517 1.00 0.00 C ATOM 212 O ASP A 26 8.716 8.111 0.325 1.00 0.00 O ATOM 213 CB ASP A 26 10.529 5.430 -0.321 1.00 0.00 C ATOM 214 CG ASP A 26 11.417 6.291 0.593 1.00 0.00 C ATOM 215 OD1 ASP A 26 11.242 6.203 1.797 1.00 0.00 O ATOM 216 OD2 ASP A 26 12.230 7.040 0.076 1.00 0.00 O ATOM 0 H ASP A 26 8.705 4.202 -1.466 1.00 0.00 H new ATOM 0 HA ASP A 26 8.796 5.658 0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.701 4.374 -0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.799 5.599 -1.364 1.00 0.00 H new ATOM 221 N LYS A 27 8.578 7.437 -1.823 1.00 0.00 N ATOM 222 CA LYS A 27 8.318 8.784 -2.349 1.00 0.00 C ATOM 223 C LYS A 27 7.048 9.354 -1.755 1.00 0.00 C ATOM 224 O LYS A 27 7.039 10.472 -1.252 1.00 0.00 O ATOM 225 CB LYS A 27 8.182 8.700 -3.894 1.00 0.00 C ATOM 226 CG LYS A 27 9.556 8.380 -4.563 1.00 0.00 C ATOM 227 CD LYS A 27 10.399 9.671 -4.755 1.00 0.00 C ATOM 228 CE LYS A 27 11.761 9.338 -5.384 1.00 0.00 C ATOM 229 NZ LYS A 27 12.505 10.606 -5.564 1.00 0.00 N ATOM 0 H LYS A 27 8.606 6.705 -2.533 1.00 0.00 H new ATOM 0 HA LYS A 27 9.146 9.440 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.458 7.929 -4.157 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.797 9.644 -4.280 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.108 7.670 -3.947 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.391 7.903 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.860 10.373 -5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.547 10.162 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.320 8.656 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 27 11.626 8.836 -6.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.808 10.693 -6.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.889 11.408 -5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.341 10.609 -4.945 1.00 0.00 H new ATOM 243 N ILE A 28 5.973 8.572 -1.792 1.00 0.00 N ATOM 244 CA ILE A 28 4.696 9.030 -1.241 1.00 0.00 C ATOM 245 C ILE A 28 4.857 9.318 0.250 1.00 0.00 C ATOM 246 O ILE A 28 4.453 10.362 0.729 1.00 0.00 O ATOM 247 CB ILE A 28 3.608 7.949 -1.461 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.492 7.624 -2.993 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.231 8.447 -0.917 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.629 6.374 -3.218 1.00 0.00 C ATOM 0 H ILE A 28 5.956 7.633 -2.190 1.00 0.00 H new ATOM 0 HA ILE A 28 4.390 9.944 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 28 3.890 7.046 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.055 8.473 -3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.486 7.467 -3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.476 7.677 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.315 8.655 0.150 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.940 9.357 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.561 6.166 -4.286 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.083 5.523 -2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.630 6.545 -2.817 1.00 0.00 H new ATOM 262 N ALA A 29 5.442 8.365 0.975 1.00 0.00 N ATOM 263 CA ALA A 29 5.641 8.512 2.420 1.00 0.00 C ATOM 264 C ALA A 29 6.418 9.793 2.735 1.00 0.00 C ATOM 265 O ALA A 29 6.195 10.430 3.764 1.00 0.00 O ATOM 266 CB ALA A 29 6.399 7.285 2.968 1.00 0.00 C ATOM 0 H ALA A 29 5.786 7.486 0.589 1.00 0.00 H new ATOM 0 HA ALA A 29 4.665 8.579 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.545 7.398 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.820 6.383 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.369 7.207 2.476 1.00 0.00 H new ATOM 272 N ASP A 30 7.340 10.152 1.836 1.00 0.00 N ATOM 273 CA ASP A 30 8.179 11.344 2.006 1.00 0.00 C ATOM 274 C ASP A 30 7.473 12.593 1.483 1.00 0.00 C ATOM 275 O ASP A 30 7.650 13.679 2.026 1.00 0.00 O ATOM 276 CB ASP A 30 9.504 11.131 1.229 1.00 0.00 C ATOM 277 CG ASP A 30 10.313 9.974 1.834 1.00 0.00 C ATOM 278 OD1 ASP A 30 9.705 9.085 2.414 1.00 0.00 O ATOM 279 OD2 ASP A 30 11.525 9.999 1.712 1.00 0.00 O ATOM 0 H ASP A 30 7.525 9.631 0.979 1.00 0.00 H new ATOM 0 HA ASP A 30 8.378 11.490 3.068 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.287 10.920 0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.096 12.046 1.253 1.00 0.00 H new ATOM 284 N ILE A 31 6.678 12.434 0.421 1.00 0.00 N ATOM 285 CA ILE A 31 5.960 13.566 -0.185 1.00 0.00 C ATOM 286 C ILE A 31 4.699 13.893 0.594 1.00 0.00 C ATOM 287 O ILE A 31 4.335 15.062 0.733 1.00 0.00 O ATOM 288 CB ILE A 31 5.598 13.237 -1.665 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.912 13.207 -2.534 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.574 14.289 -2.249 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.650 12.565 -3.907 1.00 0.00 C ATOM 0 H ILE A 31 6.514 11.538 -0.037 1.00 0.00 H new ATOM 0 HA ILE A 31 6.615 14.437 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 31 5.121 12.258 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.287 14.222 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.687 12.648 -2.009 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.340 14.034 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.660 14.275 -1.656 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.015 15.285 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.573 12.557 -4.487 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.299 11.542 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.892 13.140 -4.439 1.00 0.00 H new ATOM 303 N GLN A 32 4.003 12.853 1.059 1.00 0.00 N ATOM 304 CA GLN A 32 2.741 13.041 1.772 1.00 0.00 C ATOM 305 C GLN A 32 2.964 13.890 3.016 1.00 0.00 C ATOM 306 O GLN A 32 2.336 14.933 3.187 1.00 0.00 O ATOM 307 CB GLN A 32 2.145 11.665 2.168 1.00 0.00 C ATOM 308 CG GLN A 32 0.690 11.827 2.684 1.00 0.00 C ATOM 309 CD GLN A 32 0.123 10.481 3.132 1.00 0.00 C ATOM 310 OE1 GLN A 32 0.707 9.819 3.993 1.00 0.00 O ATOM 311 NE2 GLN A 32 -0.986 10.044 2.607 1.00 0.00 N ATOM 0 H GLN A 32 4.290 11.880 0.955 1.00 0.00 H new ATOM 0 HA GLN A 32 2.039 13.555 1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.159 10.996 1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.761 11.205 2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.670 12.531 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.064 12.247 1.897 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.465 10.595 1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.375 9.150 2.908 1.00 0.00 H new ATOM 320 N GLU A 33 3.879 13.424 3.877 1.00 0.00 N ATOM 321 CA GLU A 33 4.206 14.130 5.121 1.00 0.00 C ATOM 322 C GLU A 33 4.781 15.496 4.815 1.00 0.00 C ATOM 323 O GLU A 33 4.293 16.497 5.327 1.00 0.00 O ATOM 324 CB GLU A 33 5.232 13.323 5.941 1.00 0.00 C ATOM 325 CG GLU A 33 4.661 11.928 6.280 1.00 0.00 C ATOM 326 CD GLU A 33 5.659 11.149 7.141 1.00 0.00 C ATOM 327 OE1 GLU A 33 5.981 11.636 8.212 1.00 0.00 O ATOM 328 OE2 GLU A 33 6.092 10.091 6.714 1.00 0.00 O ATOM 0 H GLU A 33 4.405 12.562 3.734 1.00 0.00 H new ATOM 0 HA GLU A 33 3.289 14.244 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.159 13.218 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.477 13.857 6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.714 12.032 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.453 11.378 5.362 1.00 0.00 H new ATOM 335 N ALA A 34 5.872 15.524 4.023 1.00 0.00 N ATOM 336 CA ALA A 34 6.563 16.778 3.731 1.00 0.00 C ATOM 337 C ALA A 34 5.556 17.861 3.401 1.00 0.00 C ATOM 338 O ALA A 34 5.574 18.877 4.056 1.00 0.00 O ATOM 339 CB ALA A 34 7.500 16.590 2.510 1.00 0.00 C ATOM 0 H ALA A 34 6.282 14.700 3.584 1.00 0.00 H new ATOM 0 HA ALA A 34 7.143 17.066 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.013 17.528 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.236 15.817 2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.911 16.293 1.642 1.00 0.00 H new ATOM 345 N LEU A 35 4.667 17.605 2.436 1.00 0.00 N ATOM 346 CA LEU A 35 3.647 18.587 2.072 1.00 0.00 C ATOM 347 C LEU A 35 2.596 18.743 3.189 1.00 0.00 C ATOM 348 O LEU A 35 2.376 19.842 3.696 1.00 0.00 O ATOM 349 CB LEU A 35 2.935 18.092 0.790 1.00 0.00 C ATOM 350 CG LEU A 35 1.919 19.181 0.243 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.616 20.098 -0.795 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.660 18.485 -0.364 1.00 0.00 C ATOM 0 H LEU A 35 4.634 16.737 1.901 1.00 0.00 H new ATOM 0 HA LEU A 35 4.128 19.552 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.676 17.864 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.401 17.166 1.002 1.00 0.00 H new ATOM 0 HG LEU A 35 1.590 19.809 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.906 20.839 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.459 20.604 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.974 19.496 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.030 19.242 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.964 17.836 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.167 17.891 0.405 1.00 0.00 H new ATOM 364 N ALA A 36 1.917 17.637 3.537 1.00 0.00 N ATOM 365 CA ALA A 36 0.854 17.669 4.560 1.00 0.00 C ATOM 366 C ALA A 36 1.341 18.409 5.805 1.00 0.00 C ATOM 367 O ALA A 36 0.767 19.417 6.223 1.00 0.00 O ATOM 368 CB ALA A 36 0.443 16.227 4.923 1.00 0.00 C ATOM 0 H ALA A 36 2.082 16.716 3.130 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.011 18.198 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.342 16.252 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.074 15.719 4.032 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.307 15.690 5.315 1.00 0.00 H new ATOM 374 N HIS A 37 2.428 17.902 6.353 1.00 0.00 N ATOM 375 CA HIS A 37 3.094 18.463 7.520 1.00 0.00 C ATOM 376 C HIS A 37 3.892 19.710 7.122 1.00 0.00 C ATOM 377 O HIS A 37 4.890 20.032 7.775 1.00 0.00 O ATOM 378 CB HIS A 37 4.032 17.427 8.202 1.00 0.00 C ATOM 379 CG HIS A 37 4.440 17.940 9.574 1.00 0.00 C ATOM 380 ND1 HIS A 37 4.067 19.202 10.029 1.00 0.00 N ATOM 381 CD2 HIS A 37 5.156 17.379 10.594 1.00 0.00 C ATOM 382 CE1 HIS A 37 4.548 19.354 11.262 1.00 0.00 C ATOM 383 NE2 HIS A 37 5.222 18.273 11.662 1.00 0.00 N ATOM 0 H HIS A 37 2.887 17.066 5.992 1.00 0.00 H new ATOM 0 HA HIS A 37 2.323 18.738 8.240 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.524 16.467 8.297 1.00 0.00 H new ATOM 0 HB3 HIS A 37 4.916 17.260 7.587 1.00 0.00 H new ATOM 0 HD2 HIS A 37 5.602 16.395 10.576 1.00 0.00 H new ATOM 0 HE1 HIS A 37 4.410 20.241 11.863 1.00 0.00 H new ATOM 0 HE2 HIS A 37 5.687 18.131 12.559 1.00 0.00 H new ATOM 391 N ALA A 38 3.492 20.397 6.030 1.00 0.00 N ATOM 392 CA ALA A 38 4.218 21.605 5.578 1.00 0.00 C ATOM 393 C ALA A 38 3.382 22.850 5.732 1.00 0.00 C ATOM 394 O ALA A 38 3.840 23.783 6.391 1.00 0.00 O ATOM 395 CB ALA A 38 4.603 21.501 4.074 1.00 0.00 C ATOM 0 H ALA A 38 2.688 20.144 5.456 1.00 0.00 H new ATOM 0 HA ALA A 38 5.109 21.669 6.203 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.135 22.403 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.245 20.633 3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.700 21.394 3.474 1.00 0.00 H new ATOM 401 N ASP A 39 2.154 22.834 5.113 1.00 0.00 N ATOM 402 CA ASP A 39 1.199 23.996 5.102 1.00 0.00 C ATOM 403 C ASP A 39 1.849 25.235 5.739 1.00 0.00 C ATOM 404 O ASP A 39 1.316 25.826 6.682 1.00 0.00 O ATOM 405 CB ASP A 39 -0.119 23.633 5.835 1.00 0.00 C ATOM 406 CG ASP A 39 0.177 23.249 7.285 1.00 0.00 C ATOM 407 OD1 ASP A 39 1.063 22.437 7.487 1.00 0.00 O ATOM 408 OD2 ASP A 39 -0.473 23.781 8.174 1.00 0.00 O ATOM 0 H ASP A 39 1.801 22.019 4.611 1.00 0.00 H new ATOM 0 HA ASP A 39 0.958 24.229 4.065 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.805 24.480 5.807 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.613 22.806 5.325 1.00 0.00 H new ATOM 413 N ALA A 40 3.077 25.540 5.275 1.00 0.00 N ATOM 414 CA ALA A 40 3.883 26.609 5.860 1.00 0.00 C ATOM 415 C ALA A 40 3.172 27.930 5.738 1.00 0.00 C ATOM 416 O ALA A 40 3.003 28.651 6.724 1.00 0.00 O ATOM 417 CB ALA A 40 5.263 26.673 5.155 1.00 0.00 C ATOM 0 H ALA A 40 3.525 25.056 4.497 1.00 0.00 H new ATOM 0 HA ALA A 40 4.035 26.397 6.918 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.860 27.472 5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.780 25.722 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.120 26.870 4.093 1.00 0.00 H new ATOM 423 N ASN A 41 2.753 28.238 4.513 1.00 0.00 N ATOM 424 CA ASN A 41 2.057 29.489 4.251 1.00 0.00 C ATOM 425 C ASN A 41 0.572 29.352 4.570 1.00 0.00 C ATOM 426 O ASN A 41 -0.128 30.356 4.656 1.00 0.00 O ATOM 427 CB ASN A 41 2.256 29.870 2.768 1.00 0.00 C ATOM 428 CG ASN A 41 1.638 31.240 2.489 1.00 0.00 C ATOM 429 OD1 ASN A 41 0.527 31.330 1.964 1.00 0.00 O ATOM 430 ND2 ASN A 41 2.288 32.310 2.843 1.00 0.00 N ATOM 0 H ASN A 41 2.883 27.643 3.695 1.00 0.00 H new ATOM 0 HA ASN A 41 2.466 30.273 4.888 1.00 0.00 H new ATOM 0 HB2 ASN A 41 3.319 29.887 2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.797 29.118 2.127 1.00 0.00 H new ATOM 0 HD21 ASN A 41 1.878 33.231 2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.207 32.228 3.277 1.00 0.00 H new ATOM 437 N ALA A 42 0.085 28.106 4.719 1.00 0.00 N ATOM 438 CA ALA A 42 -1.338 27.865 5.014 1.00 0.00 C ATOM 439 C ALA A 42 -2.238 28.502 3.936 1.00 0.00 C ATOM 440 O ALA A 42 -3.132 29.297 4.242 1.00 0.00 O ATOM 441 CB ALA A 42 -1.687 28.440 6.409 1.00 0.00 C ATOM 0 H ALA A 42 0.649 27.260 4.641 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.516 26.790 5.012 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.740 28.260 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.074 27.953 7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.493 29.513 6.419 1.00 0.00 H new ATOM 447 N ASP A 43 -1.992 28.138 2.672 1.00 0.00 N ATOM 448 CA ASP A 43 -2.764 28.660 1.520 1.00 0.00 C ATOM 449 C ASP A 43 -3.736 27.598 1.028 1.00 0.00 C ATOM 450 O ASP A 43 -4.726 27.920 0.368 1.00 0.00 O ATOM 451 CB ASP A 43 -1.790 29.093 0.402 1.00 0.00 C ATOM 452 CG ASP A 43 -0.736 28.003 0.176 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.125 26.862 -0.016 1.00 0.00 O ATOM 454 OD2 ASP A 43 0.441 28.326 0.187 1.00 0.00 O ATOM 0 H ASP A 43 -1.259 27.478 2.412 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.344 29.531 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.340 29.276 -0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.304 30.030 0.674 1.00 0.00 H new ATOM 459 N GLN A 44 -3.465 26.336 1.371 1.00 0.00 N ATOM 460 CA GLN A 44 -4.340 25.225 0.993 1.00 0.00 C ATOM 461 C GLN A 44 -4.330 25.009 -0.522 1.00 0.00 C ATOM 462 O GLN A 44 -5.129 24.233 -1.043 1.00 0.00 O ATOM 463 CB GLN A 44 -5.804 25.495 1.477 1.00 0.00 C ATOM 464 CG GLN A 44 -6.579 24.172 1.716 1.00 0.00 C ATOM 465 CD GLN A 44 -8.032 24.468 2.083 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.701 25.238 1.392 1.00 0.00 O ATOM 467 NE2 GLN A 44 -8.549 23.915 3.137 1.00 0.00 N ATOM 0 H GLN A 44 -2.645 26.059 1.911 1.00 0.00 H new ATOM 0 HA GLN A 44 -3.962 24.323 1.475 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.782 26.076 2.399 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.329 26.096 0.734 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.542 23.554 0.819 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.104 23.603 2.515 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.990 23.278 3.705 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.514 24.117 3.397 1.00 0.00 H new ATOM 476 N HIS A 45 -3.427 25.699 -1.221 1.00 0.00 N ATOM 477 CA HIS A 45 -3.306 25.588 -2.691 1.00 0.00 C ATOM 478 C HIS A 45 -1.897 25.139 -3.016 1.00 0.00 C ATOM 479 O HIS A 45 -1.044 25.092 -2.130 1.00 0.00 O ATOM 480 CB HIS A 45 -3.634 26.959 -3.365 1.00 0.00 C ATOM 481 CG HIS A 45 -2.399 27.817 -3.486 1.00 0.00 C ATOM 482 ND1 HIS A 45 -1.511 27.937 -2.450 1.00 0.00 N ATOM 483 CD2 HIS A 45 -1.869 28.540 -4.519 1.00 0.00 C ATOM 484 CE1 HIS A 45 -0.497 28.707 -2.857 1.00 0.00 C ATOM 485 NE2 HIS A 45 -0.662 29.103 -4.118 1.00 0.00 N ATOM 0 H HIS A 45 -2.762 26.346 -0.798 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.017 24.858 -3.078 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.060 26.788 -4.354 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.389 27.484 -2.779 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.318 28.656 -5.494 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.349 28.974 -2.241 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -0.038 29.692 -4.670 1.00 0.00 H new ATOM 493 N LEU A 46 -1.671 24.823 -4.292 1.00 0.00 N ATOM 494 CA LEU A 46 -0.363 24.355 -4.764 1.00 0.00 C ATOM 495 C LEU A 46 0.156 25.173 -5.939 1.00 0.00 C ATOM 496 O LEU A 46 -0.277 24.984 -7.072 1.00 0.00 O ATOM 497 CB LEU A 46 -0.510 22.883 -5.212 1.00 0.00 C ATOM 498 CG LEU A 46 -1.030 21.990 -4.043 1.00 0.00 C ATOM 499 CD1 LEU A 46 -1.265 20.550 -4.566 1.00 0.00 C ATOM 500 CD2 LEU A 46 -0.028 21.975 -2.841 1.00 0.00 C ATOM 0 H LEU A 46 -2.380 24.883 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 46 0.350 24.461 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.199 22.823 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.452 22.508 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.969 22.408 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.628 19.922 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.004 20.570 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.328 20.144 -4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.423 21.343 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.933 21.582 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.105 22.990 -2.466 1.00 0.00 H new ATOM 512 N ASP A 47 1.129 26.049 -5.658 1.00 0.00 N ATOM 513 CA ASP A 47 1.790 26.852 -6.679 1.00 0.00 C ATOM 514 C ASP A 47 3.148 26.199 -6.929 1.00 0.00 C ATOM 515 O ASP A 47 3.775 25.688 -5.994 1.00 0.00 O ATOM 516 CB ASP A 47 1.958 28.300 -6.187 1.00 0.00 C ATOM 517 CG ASP A 47 2.750 28.347 -4.877 1.00 0.00 C ATOM 518 OD1 ASP A 47 3.935 28.103 -4.930 1.00 0.00 O ATOM 519 OD2 ASP A 47 2.155 28.611 -3.851 1.00 0.00 O ATOM 0 H ASP A 47 1.476 26.217 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 47 1.206 26.892 -7.598 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.471 28.889 -6.947 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.978 28.754 -6.040 1.00 0.00 H new ATOM 524 N PHE A 48 3.573 26.188 -8.187 1.00 0.00 N ATOM 525 CA PHE A 48 4.825 25.562 -8.595 1.00 0.00 C ATOM 526 C PHE A 48 5.973 25.844 -7.623 1.00 0.00 C ATOM 527 O PHE A 48 6.686 24.931 -7.225 1.00 0.00 O ATOM 528 CB PHE A 48 5.226 26.100 -9.989 1.00 0.00 C ATOM 529 CG PHE A 48 6.466 25.330 -10.503 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.295 24.114 -11.188 1.00 0.00 C ATOM 531 CD2 PHE A 48 7.769 25.817 -10.256 1.00 0.00 C ATOM 532 CE1 PHE A 48 7.408 23.396 -11.633 1.00 0.00 C ATOM 533 CE2 PHE A 48 8.883 25.092 -10.707 1.00 0.00 C ATOM 534 CZ PHE A 48 8.699 23.882 -11.398 1.00 0.00 C ATOM 0 H PHE A 48 3.057 26.615 -8.956 1.00 0.00 H new ATOM 0 HA PHE A 48 4.656 24.485 -8.611 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.397 25.984 -10.687 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.446 27.166 -9.930 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.301 23.734 -11.371 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.908 26.745 -9.721 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.271 22.463 -12.160 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.880 25.463 -10.523 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.556 23.326 -11.748 1.00 0.00 H new ATOM 544 N ASP A 49 6.143 27.121 -7.264 1.00 0.00 N ATOM 545 CA ASP A 49 7.231 27.531 -6.376 1.00 0.00 C ATOM 546 C ASP A 49 7.282 26.680 -5.105 1.00 0.00 C ATOM 547 O ASP A 49 8.294 26.059 -4.806 1.00 0.00 O ATOM 548 CB ASP A 49 7.055 29.024 -5.992 1.00 0.00 C ATOM 549 CG ASP A 49 8.285 29.531 -5.223 1.00 0.00 C ATOM 550 OD1 ASP A 49 9.380 29.329 -5.717 1.00 0.00 O ATOM 551 OD2 ASP A 49 8.110 30.098 -4.157 1.00 0.00 O ATOM 0 H ASP A 49 5.542 27.885 -7.575 1.00 0.00 H new ATOM 0 HA ASP A 49 8.169 27.388 -6.912 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.909 29.622 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.161 29.145 -5.380 1.00 0.00 H new ATOM 556 N GLU A 50 6.162 26.645 -4.380 1.00 0.00 N ATOM 557 CA GLU A 50 6.071 25.876 -3.133 1.00 0.00 C ATOM 558 C GLU A 50 6.253 24.388 -3.395 1.00 0.00 C ATOM 559 O GLU A 50 7.076 23.744 -2.758 1.00 0.00 O ATOM 560 CB GLU A 50 4.682 26.135 -2.453 1.00 0.00 C ATOM 561 CG GLU A 50 4.707 27.430 -1.593 1.00 0.00 C ATOM 562 CD GLU A 50 5.115 28.635 -2.446 1.00 0.00 C ATOM 563 OE1 GLU A 50 6.280 28.711 -2.799 1.00 0.00 O ATOM 564 OE2 GLU A 50 4.262 29.453 -2.741 1.00 0.00 O ATOM 0 H GLU A 50 5.306 27.139 -4.633 1.00 0.00 H new ATOM 0 HA GLU A 50 6.869 26.203 -2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.910 26.219 -3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.418 25.284 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.723 27.603 -1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.406 27.310 -0.765 1.00 0.00 H new ATOM 571 N TRP A 51 5.476 23.840 -4.337 1.00 0.00 N ATOM 572 CA TRP A 51 5.564 22.410 -4.631 1.00 0.00 C ATOM 573 C TRP A 51 6.983 22.039 -5.052 1.00 0.00 C ATOM 574 O TRP A 51 7.629 21.199 -4.420 1.00 0.00 O ATOM 575 CB TRP A 51 4.582 22.068 -5.765 1.00 0.00 C ATOM 576 CG TRP A 51 4.690 20.607 -6.104 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.538 20.073 -7.016 1.00 0.00 C ATOM 578 CD2 TRP A 51 3.985 19.495 -5.500 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.355 18.707 -7.038 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.404 18.304 -6.123 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.013 19.411 -4.494 1.00 0.00 C ATOM 582 CZ2 TRP A 51 3.885 17.066 -5.764 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.489 18.162 -4.125 1.00 0.00 C ATOM 584 CH2 TRP A 51 2.924 16.991 -4.760 1.00 0.00 C ATOM 0 H TRP A 51 4.795 24.354 -4.896 1.00 0.00 H new ATOM 0 HA TRP A 51 5.308 21.845 -3.735 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.563 22.307 -5.461 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.802 22.673 -6.645 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.240 20.625 -7.624 1.00 0.00 H new ATOM 0 HE1 TRP A 51 5.861 18.072 -7.655 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.667 20.308 -4.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.225 16.169 -6.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.744 18.103 -3.345 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.515 16.034 -4.471 1.00 0.00 H new ATOM 595 N ARG A 52 7.442 22.654 -6.141 1.00 0.00 N ATOM 596 CA ARG A 52 8.758 22.360 -6.670 1.00 0.00 C ATOM 597 C ARG A 52 9.835 22.504 -5.605 1.00 0.00 C ATOM 598 O ARG A 52 10.617 21.600 -5.402 1.00 0.00 O ATOM 599 CB ARG A 52 9.090 23.336 -7.839 1.00 0.00 C ATOM 600 CG ARG A 52 10.547 23.081 -8.426 1.00 0.00 C ATOM 601 CD ARG A 52 11.512 24.201 -7.988 1.00 0.00 C ATOM 602 NE ARG A 52 12.856 23.940 -8.506 1.00 0.00 N ATOM 603 CZ ARG A 52 13.865 24.794 -8.301 1.00 0.00 C ATOM 604 NH1 ARG A 52 13.670 25.888 -7.610 1.00 0.00 N ATOM 605 NH2 ARG A 52 15.041 24.525 -8.783 1.00 0.00 N ATOM 0 H ARG A 52 6.919 23.355 -6.667 1.00 0.00 H new ATOM 0 HA ARG A 52 8.744 21.328 -7.022 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.352 23.217 -8.633 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.015 24.365 -7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 52 10.920 22.117 -8.081 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.504 23.036 -9.514 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.154 25.163 -8.353 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.539 24.263 -6.900 1.00 0.00 H new ATOM 0 HE ARG A 52 13.027 23.086 -9.036 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.747 26.091 -7.226 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.441 26.538 -7.455 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.190 23.667 -9.314 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.815 25.172 -8.630 1.00 0.00 H new ATOM 619 N GLN A 53 9.845 23.649 -4.929 1.00 0.00 N ATOM 620 CA GLN A 53 10.860 23.922 -3.910 1.00 0.00 C ATOM 621 C GLN A 53 10.762 22.970 -2.724 1.00 0.00 C ATOM 622 O GLN A 53 11.781 22.464 -2.234 1.00 0.00 O ATOM 623 CB GLN A 53 10.713 25.384 -3.409 1.00 0.00 C ATOM 624 CG GLN A 53 11.890 25.769 -2.471 1.00 0.00 C ATOM 625 CD GLN A 53 11.758 27.211 -2.004 1.00 0.00 C ATOM 626 OE1 GLN A 53 10.669 27.655 -1.638 1.00 0.00 O ATOM 627 NE2 GLN A 53 12.816 27.971 -1.999 1.00 0.00 N ATOM 0 H GLN A 53 9.168 24.400 -5.065 1.00 0.00 H new ATOM 0 HA GLN A 53 11.835 23.773 -4.373 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.684 26.063 -4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.768 25.498 -2.878 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.907 25.103 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.837 25.637 -2.995 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.715 27.596 -2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.746 28.941 -1.691 1.00 0.00 H new ATOM 636 N GLU A 54 9.531 22.756 -2.244 1.00 0.00 N ATOM 637 CA GLU A 54 9.313 21.908 -1.073 1.00 0.00 C ATOM 638 C GLU A 54 9.826 20.492 -1.300 1.00 0.00 C ATOM 639 O GLU A 54 10.574 19.953 -0.484 1.00 0.00 O ATOM 640 CB GLU A 54 7.795 21.862 -0.719 1.00 0.00 C ATOM 641 CG GLU A 54 7.537 21.053 0.588 1.00 0.00 C ATOM 642 CD GLU A 54 8.187 21.748 1.794 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.258 22.968 1.783 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.630 21.053 2.690 1.00 0.00 O ATOM 0 H GLU A 54 8.682 23.154 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 54 9.872 22.343 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.417 22.878 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.242 21.411 -1.543 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.464 20.953 0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.938 20.045 0.483 1.00 0.00 H new ATOM 651 N LEU A 55 9.386 19.887 -2.401 1.00 0.00 N ATOM 652 CA LEU A 55 9.759 18.506 -2.719 1.00 0.00 C ATOM 653 C LEU A 55 11.170 18.419 -3.237 1.00 0.00 C ATOM 654 O LEU A 55 11.802 17.363 -3.139 1.00 0.00 O ATOM 655 CB LEU A 55 8.814 17.930 -3.799 1.00 0.00 C ATOM 656 CG LEU A 55 7.497 17.347 -3.200 1.00 0.00 C ATOM 657 CD1 LEU A 55 6.629 18.467 -2.573 1.00 0.00 C ATOM 658 CD2 LEU A 55 6.730 16.596 -4.319 1.00 0.00 C ATOM 0 H LEU A 55 8.773 20.327 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 55 9.679 17.933 -1.795 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.567 18.714 -4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.335 17.147 -4.351 1.00 0.00 H new ATOM 0 HG LEU A 55 7.737 16.648 -2.399 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.717 18.034 -2.163 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.188 18.958 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.371 19.199 -3.338 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.806 16.183 -3.913 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.494 17.289 -5.126 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.350 15.787 -4.705 1.00 0.00 H new ATOM 670 N LYS A 56 11.673 19.513 -3.802 1.00 0.00 N ATOM 671 CA LYS A 56 13.017 19.506 -4.356 1.00 0.00 C ATOM 672 C LYS A 56 14.056 19.159 -3.301 1.00 0.00 C ATOM 673 O LYS A 56 14.935 18.322 -3.541 1.00 0.00 O ATOM 674 CB LYS A 56 13.341 20.886 -4.966 1.00 0.00 C ATOM 675 CG LYS A 56 14.789 20.923 -5.513 1.00 0.00 C ATOM 676 CD LYS A 56 15.065 22.259 -6.231 1.00 0.00 C ATOM 677 CE LYS A 56 16.509 22.270 -6.768 1.00 0.00 C ATOM 678 NZ LYS A 56 17.441 22.157 -5.610 1.00 0.00 N ATOM 0 H LYS A 56 11.177 20.400 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 56 13.053 18.741 -5.131 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.639 21.106 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.214 21.661 -4.210 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.496 20.791 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.944 20.094 -6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.360 22.395 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 56 14.916 23.091 -5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 56 16.663 21.443 -7.461 1.00 0.00 H new ATOM 0 HE3 LYS A 56 16.701 23.189 -7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.375 22.526 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 17.069 22.707 -4.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.530 21.159 -5.332 1.00 0.00 H new ATOM 692 N CYS A 57 13.973 19.820 -2.143 1.00 0.00 N ATOM 693 CA CYS A 57 14.951 19.600 -1.074 1.00 0.00 C ATOM 694 C CYS A 57 14.893 18.172 -0.562 1.00 0.00 C ATOM 695 O CYS A 57 15.737 17.756 0.234 1.00 0.00 O ATOM 696 CB CYS A 57 14.671 20.584 0.078 1.00 0.00 C ATOM 697 SG CYS A 57 15.969 20.442 1.334 1.00 0.00 S ATOM 0 H CYS A 57 13.248 20.503 -1.923 1.00 0.00 H new ATOM 0 HA CYS A 57 15.950 19.771 -1.474 1.00 0.00 H new ATOM 0 HB2 CYS A 57 14.632 21.604 -0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 57 13.698 20.372 0.521 1.00 0.00 H new ATOM 0 HG CYS A 57 16.387 19.212 1.389 1.00 0.00 H new ATOM 703 N ARG A 58 13.873 17.423 -1.010 1.00 0.00 N ATOM 704 CA ARG A 58 13.687 16.042 -0.571 1.00 0.00 C ATOM 705 C ARG A 58 14.583 15.091 -1.356 1.00 0.00 C ATOM 706 O ARG A 58 14.283 13.898 -1.469 1.00 0.00 O ATOM 707 CB ARG A 58 12.186 15.628 -0.734 1.00 0.00 C ATOM 708 CG ARG A 58 11.797 14.531 0.321 1.00 0.00 C ATOM 709 CD ARG A 58 11.715 15.124 1.775 1.00 0.00 C ATOM 710 NE ARG A 58 12.950 14.830 2.536 1.00 0.00 N ATOM 711 CZ ARG A 58 13.113 15.253 3.799 1.00 0.00 C ATOM 712 NH1 ARG A 58 12.180 15.970 4.367 1.00 0.00 N ATOM 713 NH2 ARG A 58 14.205 14.962 4.452 1.00 0.00 N ATOM 0 H ARG A 58 13.171 17.753 -1.672 1.00 0.00 H new ATOM 0 HA ARG A 58 13.966 15.977 0.481 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.547 16.502 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.015 15.248 -1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.836 14.093 0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 58 12.532 13.727 0.297 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.562 16.202 1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.854 14.704 2.295 1.00 0.00 H new ATOM 0 HE ARG A 58 13.694 14.294 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.333 16.206 3.851 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.299 16.294 5.327 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.937 14.412 4.002 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.327 15.285 5.412 1.00 0.00 H new ATOM 727 N GLY A 59 15.678 15.614 -1.902 1.00 0.00 N ATOM 728 CA GLY A 59 16.616 14.793 -2.675 1.00 0.00 C ATOM 729 C GLY A 59 16.145 14.632 -4.111 1.00 0.00 C ATOM 730 O GLY A 59 16.690 13.814 -4.856 1.00 0.00 O ATOM 0 H GLY A 59 15.940 16.597 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.604 15.254 -2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.716 13.813 -2.209 1.00 0.00 H new ATOM 734 N HIS A 60 15.121 15.416 -4.509 1.00 0.00 N ATOM 735 CA HIS A 60 14.573 15.364 -5.883 1.00 0.00 C ATOM 736 C HIS A 60 15.171 16.516 -6.691 1.00 0.00 C ATOM 737 O HIS A 60 15.471 17.576 -6.140 1.00 0.00 O ATOM 738 CB HIS A 60 13.034 15.480 -5.845 1.00 0.00 C ATOM 739 CG HIS A 60 12.459 14.334 -5.066 1.00 0.00 C ATOM 740 ND1 HIS A 60 13.111 13.783 -3.976 1.00 0.00 N ATOM 741 CD2 HIS A 60 11.298 13.624 -5.209 1.00 0.00 C ATOM 742 CE1 HIS A 60 12.346 12.788 -3.509 1.00 0.00 C ATOM 743 NE2 HIS A 60 11.226 12.649 -4.225 1.00 0.00 N ATOM 0 H HIS A 60 14.657 16.091 -3.901 1.00 0.00 H new ATOM 0 HA HIS A 60 14.832 14.414 -6.350 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.742 16.426 -5.388 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.635 15.480 -6.859 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.552 13.796 -5.971 1.00 0.00 H new ATOM 0 HE1 HIS A 60 12.602 12.174 -2.659 1.00 0.00 H new ATOM 0 HE2 HIS A 60 10.478 11.971 -4.079 1.00 0.00 H new ATOM 751 N ALA A 61 15.349 16.297 -7.996 1.00 0.00 N ATOM 752 CA ALA A 61 15.918 17.308 -8.889 1.00 0.00 C ATOM 753 C ALA A 61 14.826 18.274 -9.319 1.00 0.00 C ATOM 754 O ALA A 61 13.657 18.075 -9.001 1.00 0.00 O ATOM 755 CB ALA A 61 16.537 16.618 -10.120 1.00 0.00 C ATOM 0 H ALA A 61 15.105 15.422 -8.460 1.00 0.00 H new ATOM 0 HA ALA A 61 16.697 17.864 -8.368 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.960 17.371 -10.785 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.323 15.935 -9.797 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.766 16.059 -10.650 1.00 0.00 H new ATOM 761 N ASP A 62 15.228 19.327 -10.030 1.00 0.00 N ATOM 762 CA ASP A 62 14.293 20.354 -10.517 1.00 0.00 C ATOM 763 C ASP A 62 13.520 19.889 -11.753 1.00 0.00 C ATOM 764 O ASP A 62 12.333 20.181 -11.899 1.00 0.00 O ATOM 765 CB ASP A 62 15.081 21.640 -10.877 1.00 0.00 C ATOM 766 CG ASP A 62 14.125 22.757 -11.342 1.00 0.00 C ATOM 767 OD1 ASP A 62 12.978 22.750 -10.916 1.00 0.00 O ATOM 768 OD2 ASP A 62 14.551 23.587 -12.125 1.00 0.00 O ATOM 0 H ASP A 62 16.201 19.496 -10.286 1.00 0.00 H new ATOM 0 HA ASP A 62 13.575 20.548 -9.720 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.649 21.979 -10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.802 21.421 -11.665 1.00 0.00 H new ATOM 773 N ALA A 63 14.216 19.211 -12.670 1.00 0.00 N ATOM 774 CA ALA A 63 13.609 18.732 -13.923 1.00 0.00 C ATOM 775 C ALA A 63 12.784 17.461 -13.726 1.00 0.00 C ATOM 776 O ALA A 63 11.687 17.333 -14.256 1.00 0.00 O ATOM 777 CB ALA A 63 14.712 18.465 -14.966 1.00 0.00 C ATOM 0 H ALA A 63 15.204 18.979 -12.571 1.00 0.00 H new ATOM 0 HA ALA A 63 12.933 19.513 -14.271 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.259 18.111 -15.892 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.260 19.387 -15.160 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.398 17.708 -14.585 1.00 0.00 H new ATOM 783 N ASP A 64 13.352 16.498 -13.000 1.00 0.00 N ATOM 784 CA ASP A 64 12.703 15.190 -12.801 1.00 0.00 C ATOM 785 C ASP A 64 11.294 15.331 -12.246 1.00 0.00 C ATOM 786 O ASP A 64 10.354 14.688 -12.722 1.00 0.00 O ATOM 787 CB ASP A 64 13.559 14.332 -11.834 1.00 0.00 C ATOM 788 CG ASP A 64 14.961 14.079 -12.412 1.00 0.00 C ATOM 789 OD1 ASP A 64 15.122 14.176 -13.618 1.00 0.00 O ATOM 790 OD2 ASP A 64 15.847 13.777 -11.632 1.00 0.00 O ATOM 0 H ASP A 64 14.257 16.593 -12.539 1.00 0.00 H new ATOM 0 HA ASP A 64 12.628 14.704 -13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.645 14.838 -10.873 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.061 13.380 -11.650 1.00 0.00 H new ATOM 795 N ILE A 65 11.152 16.192 -11.240 1.00 0.00 N ATOM 796 CA ILE A 65 9.861 16.425 -10.600 1.00 0.00 C ATOM 797 C ILE A 65 8.866 17.030 -11.565 1.00 0.00 C ATOM 798 O ILE A 65 7.662 16.961 -11.334 1.00 0.00 O ATOM 799 CB ILE A 65 10.047 17.359 -9.372 1.00 0.00 C ATOM 800 CG1 ILE A 65 8.666 17.632 -8.681 1.00 0.00 C ATOM 801 CG2 ILE A 65 10.701 18.704 -9.800 1.00 0.00 C ATOM 802 CD1 ILE A 65 8.868 18.197 -7.280 1.00 0.00 C ATOM 0 H ILE A 65 11.918 16.741 -10.850 1.00 0.00 H new ATOM 0 HA ILE A 65 9.465 15.463 -10.273 1.00 0.00 H new ATOM 0 HB ILE A 65 10.707 16.861 -8.661 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.086 18.333 -9.281 1.00 0.00 H new ATOM 0 HG13 ILE A 65 8.092 16.707 -8.626 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.823 19.344 -8.926 1.00 0.00 H new ATOM 0 HG22 ILE A 65 11.677 18.509 -10.245 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.063 19.203 -10.529 1.00 0.00 H new ATOM 0 HD11 ILE A 65 7.898 18.379 -6.818 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.429 17.483 -6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.422 19.134 -7.342 1.00 0.00 H new ATOM 814 N GLU A 66 9.376 17.672 -12.620 1.00 0.00 N ATOM 815 CA GLU A 66 8.508 18.340 -13.589 1.00 0.00 C ATOM 816 C GLU A 66 7.500 17.357 -14.183 1.00 0.00 C ATOM 817 O GLU A 66 6.333 17.683 -14.341 1.00 0.00 O ATOM 818 CB GLU A 66 9.356 18.961 -14.729 1.00 0.00 C ATOM 819 CG GLU A 66 8.503 19.936 -15.583 1.00 0.00 C ATOM 820 CD GLU A 66 9.341 20.522 -16.721 1.00 0.00 C ATOM 821 OE1 GLU A 66 10.021 19.752 -17.381 1.00 0.00 O ATOM 822 OE2 GLU A 66 9.294 21.727 -16.918 1.00 0.00 O ATOM 0 H GLU A 66 10.373 17.742 -12.822 1.00 0.00 H new ATOM 0 HA GLU A 66 7.966 19.129 -13.069 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.209 19.492 -14.306 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.756 18.170 -15.363 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.640 19.411 -15.992 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.119 20.740 -14.954 1.00 0.00 H new ATOM 829 N ALA A 67 7.977 16.146 -14.494 1.00 0.00 N ATOM 830 CA ALA A 67 7.121 15.107 -15.073 1.00 0.00 C ATOM 831 C ALA A 67 6.095 14.622 -14.055 1.00 0.00 C ATOM 832 O ALA A 67 4.940 14.365 -14.400 1.00 0.00 O ATOM 833 CB ALA A 67 7.991 13.918 -15.540 1.00 0.00 C ATOM 0 H ALA A 67 8.947 15.863 -14.355 1.00 0.00 H new ATOM 0 HA ALA A 67 6.590 15.531 -15.925 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.352 13.147 -15.970 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.702 14.261 -16.291 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.533 13.507 -14.688 1.00 0.00 H new ATOM 839 N VAL A 68 6.534 14.487 -12.798 1.00 0.00 N ATOM 840 CA VAL A 68 5.657 14.010 -11.726 1.00 0.00 C ATOM 841 C VAL A 68 4.595 15.054 -11.413 1.00 0.00 C ATOM 842 O VAL A 68 3.421 14.721 -11.224 1.00 0.00 O ATOM 843 CB VAL A 68 6.492 13.701 -10.445 1.00 0.00 C ATOM 844 CG1 VAL A 68 5.585 13.094 -9.327 1.00 0.00 C ATOM 845 CG2 VAL A 68 7.635 12.711 -10.800 1.00 0.00 C ATOM 0 H VAL A 68 7.486 14.700 -12.501 1.00 0.00 H new ATOM 0 HA VAL A 68 5.167 13.095 -12.058 1.00 0.00 H new ATOM 0 HB VAL A 68 6.919 14.631 -10.070 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.187 12.886 -8.443 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.798 13.804 -9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.136 12.168 -9.686 1.00 0.00 H new ATOM 0 HG21 VAL A 68 8.219 12.494 -9.906 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.208 11.786 -11.188 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.281 13.157 -11.556 1.00 0.00 H new ATOM 855 N PHE A 69 5.019 16.320 -11.310 1.00 0.00 N ATOM 856 CA PHE A 69 4.103 17.408 -10.976 1.00 0.00 C ATOM 857 C PHE A 69 3.197 17.721 -12.167 1.00 0.00 C ATOM 858 O PHE A 69 1.975 17.661 -12.051 1.00 0.00 O ATOM 859 CB PHE A 69 4.909 18.660 -10.574 1.00 0.00 C ATOM 860 CG PHE A 69 3.947 19.861 -10.436 1.00 0.00 C ATOM 861 CD1 PHE A 69 3.205 20.044 -9.254 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.778 20.767 -11.503 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.321 21.123 -9.133 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.891 21.843 -11.380 1.00 0.00 C ATOM 865 CZ PHE A 69 2.164 22.029 -10.194 1.00 0.00 C ATOM 0 H PHE A 69 5.986 16.611 -11.453 1.00 0.00 H new ATOM 0 HA PHE A 69 3.478 17.103 -10.137 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.429 18.485 -9.632 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.671 18.873 -11.324 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.318 19.348 -8.436 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.335 20.630 -12.418 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.758 21.259 -8.221 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.766 22.533 -12.201 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.487 22.865 -10.098 1.00 0.00 H new ATOM 875 N ALA A 70 3.809 18.130 -13.296 1.00 0.00 N ATOM 876 CA ALA A 70 3.061 18.545 -14.511 1.00 0.00 C ATOM 877 C ALA A 70 1.858 17.644 -14.766 1.00 0.00 C ATOM 878 O ALA A 70 0.842 18.083 -15.302 1.00 0.00 O ATOM 879 CB ALA A 70 3.994 18.502 -15.741 1.00 0.00 C ATOM 0 H ALA A 70 4.823 18.184 -13.397 1.00 0.00 H new ATOM 0 HA ALA A 70 2.701 19.561 -14.346 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.440 18.807 -16.629 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.833 19.181 -15.585 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.369 17.488 -15.878 1.00 0.00 H new ATOM 885 N LYS A 71 1.976 16.392 -14.337 1.00 0.00 N ATOM 886 CA LYS A 71 0.923 15.401 -14.465 1.00 0.00 C ATOM 887 C LYS A 71 -0.394 15.875 -13.817 1.00 0.00 C ATOM 888 O LYS A 71 -1.448 15.271 -14.006 1.00 0.00 O ATOM 889 CB LYS A 71 1.364 14.064 -13.783 1.00 0.00 C ATOM 890 CG LYS A 71 0.478 12.889 -14.283 1.00 0.00 C ATOM 891 CD LYS A 71 0.815 11.574 -13.548 1.00 0.00 C ATOM 892 CE LYS A 71 -0.072 10.434 -14.104 1.00 0.00 C ATOM 893 NZ LYS A 71 0.203 10.284 -15.562 1.00 0.00 N ATOM 0 H LYS A 71 2.818 16.036 -13.885 1.00 0.00 H new ATOM 0 HA LYS A 71 0.750 15.248 -15.530 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.411 13.861 -14.008 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.282 14.155 -12.700 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.573 13.134 -14.130 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.621 12.755 -15.355 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.869 11.329 -13.682 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.649 11.690 -12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.140 9.501 -13.581 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.126 10.660 -13.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.058 9.325 -15.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.356 10.981 -16.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.215 10.441 -15.742 1.00 0.00 H new ATOM 907 N TYR A 72 -0.321 16.981 -13.057 1.00 0.00 N ATOM 908 CA TYR A 72 -1.494 17.549 -12.363 1.00 0.00 C ATOM 909 C TYR A 72 -1.942 18.856 -12.996 1.00 0.00 C ATOM 910 O TYR A 72 -2.982 19.399 -12.615 1.00 0.00 O ATOM 911 CB TYR A 72 -1.136 17.750 -10.876 1.00 0.00 C ATOM 912 CG TYR A 72 -0.875 16.373 -10.223 1.00 0.00 C ATOM 913 CD1 TYR A 72 -1.943 15.463 -10.073 1.00 0.00 C ATOM 914 CD2 TYR A 72 0.412 15.997 -9.791 1.00 0.00 C ATOM 915 CE1 TYR A 72 -1.719 14.209 -9.501 1.00 0.00 C ATOM 916 CE2 TYR A 72 0.625 14.737 -9.216 1.00 0.00 C ATOM 917 CZ TYR A 72 -0.439 13.848 -9.077 1.00 0.00 C ATOM 918 OH TYR A 72 -0.236 12.621 -8.489 1.00 0.00 O ATOM 0 H TYR A 72 0.542 17.503 -12.906 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.331 16.856 -12.452 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.253 18.382 -10.785 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -1.949 18.262 -10.360 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.935 15.737 -10.401 1.00 0.00 H new ATOM 0 HD2 TYR A 72 1.238 16.683 -9.903 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.539 13.516 -9.386 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.612 14.455 -8.881 1.00 0.00 H new ATOM 0 HH TYR A 72 0.710 12.524 -8.252 1.00 0.00 H new ATOM 928 N ASP A 73 -1.179 19.343 -13.981 1.00 0.00 N ATOM 929 CA ASP A 73 -1.527 20.583 -14.700 1.00 0.00 C ATOM 930 C ASP A 73 -2.257 20.218 -15.993 1.00 0.00 C ATOM 931 O ASP A 73 -1.842 20.600 -17.092 1.00 0.00 O ATOM 932 CB ASP A 73 -0.248 21.389 -15.009 1.00 0.00 C ATOM 933 CG ASP A 73 0.504 21.686 -13.719 1.00 0.00 C ATOM 934 OD1 ASP A 73 0.883 20.744 -13.047 1.00 0.00 O ATOM 935 OD2 ASP A 73 0.679 22.855 -13.416 1.00 0.00 O ATOM 0 H ASP A 73 -0.317 18.901 -14.301 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.178 21.200 -14.081 1.00 0.00 H new ATOM 0 HB2 ASP A 73 0.390 20.827 -15.691 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.508 22.321 -15.511 1.00 0.00 H new ATOM 940 N VAL A 74 -3.359 19.471 -15.854 1.00 0.00 N ATOM 941 CA VAL A 74 -4.153 19.044 -17.010 1.00 0.00 C ATOM 942 C VAL A 74 -4.560 20.254 -17.855 1.00 0.00 C ATOM 943 O VAL A 74 -4.481 20.216 -19.084 1.00 0.00 O ATOM 944 CB VAL A 74 -5.415 18.264 -16.522 1.00 0.00 C ATOM 945 CG1 VAL A 74 -4.976 16.994 -15.740 1.00 0.00 C ATOM 946 CG2 VAL A 74 -6.307 19.173 -15.608 1.00 0.00 C ATOM 0 H VAL A 74 -3.719 19.151 -14.955 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.549 18.384 -17.633 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.001 17.969 -17.392 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.859 16.452 -15.401 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.384 16.352 -16.392 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.377 17.287 -14.878 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.181 18.611 -15.278 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.731 19.491 -14.739 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.630 20.049 -16.170 1.00 0.00 H new ATOM 956 N ASP A 75 -5.001 21.326 -17.180 1.00 0.00 N ATOM 957 CA ASP A 75 -5.424 22.545 -17.874 1.00 0.00 C ATOM 958 C ASP A 75 -4.202 23.324 -18.351 1.00 0.00 C ATOM 959 O ASP A 75 -4.323 24.227 -19.179 1.00 0.00 O ATOM 960 CB ASP A 75 -6.267 23.410 -16.905 1.00 0.00 C ATOM 961 CG ASP A 75 -7.486 22.619 -16.413 1.00 0.00 C ATOM 962 OD1 ASP A 75 -8.068 21.908 -17.215 1.00 0.00 O ATOM 963 OD2 ASP A 75 -7.816 22.735 -15.245 1.00 0.00 O ATOM 0 H ASP A 75 -5.073 21.371 -16.164 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.027 22.283 -18.744 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.657 23.717 -16.056 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.594 24.320 -17.409 1.00 0.00 H new ATOM 968 N GLY A 76 -3.016 22.975 -17.826 1.00 0.00 N ATOM 969 CA GLY A 76 -1.773 23.657 -18.211 1.00 0.00 C ATOM 970 C GLY A 76 -1.793 25.114 -17.762 1.00 0.00 C ATOM 971 O GLY A 76 -0.928 25.903 -18.148 1.00 0.00 O ATOM 0 H GLY A 76 -2.894 22.231 -17.140 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.920 23.146 -17.765 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.645 23.607 -19.292 1.00 0.00 H new ATOM 975 N ASP A 77 -2.803 25.468 -16.951 1.00 0.00 N ATOM 976 CA ASP A 77 -2.955 26.838 -16.454 1.00 0.00 C ATOM 977 C ASP A 77 -1.942 27.120 -15.350 1.00 0.00 C ATOM 978 O ASP A 77 -1.863 28.252 -14.888 1.00 0.00 O ATOM 979 CB ASP A 77 -4.389 27.049 -15.892 1.00 0.00 C ATOM 980 CG ASP A 77 -4.686 26.066 -14.749 1.00 0.00 C ATOM 981 OD1 ASP A 77 -4.019 25.042 -14.675 1.00 0.00 O ATOM 982 OD2 ASP A 77 -5.562 26.362 -13.955 1.00 0.00 O ATOM 0 H ASP A 77 -3.524 24.823 -16.628 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.783 27.522 -17.285 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.495 28.072 -15.532 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.119 26.915 -16.690 1.00 0.00 H new ATOM 987 N ARG A 78 -1.186 26.094 -14.935 1.00 0.00 N ATOM 988 CA ARG A 78 -0.165 26.243 -13.880 1.00 0.00 C ATOM 989 C ARG A 78 -0.780 26.694 -12.564 1.00 0.00 C ATOM 990 O ARG A 78 -0.118 27.346 -11.750 1.00 0.00 O ATOM 991 CB ARG A 78 0.930 27.237 -14.334 1.00 0.00 C ATOM 992 CG ARG A 78 1.522 26.776 -15.689 1.00 0.00 C ATOM 993 CD ARG A 78 2.606 27.759 -16.146 1.00 0.00 C ATOM 994 NE ARG A 78 2.004 29.080 -16.377 1.00 0.00 N ATOM 995 CZ ARG A 78 2.744 30.141 -16.718 1.00 0.00 C ATOM 996 NH1 ARG A 78 4.038 30.014 -16.843 1.00 0.00 N ATOM 997 NH2 ARG A 78 2.178 31.299 -16.919 1.00 0.00 N ATOM 0 H ARG A 78 -1.260 25.149 -15.312 1.00 0.00 H new ATOM 0 HA ARG A 78 0.288 25.266 -13.713 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.509 28.238 -14.431 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.717 27.294 -13.582 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.944 25.776 -15.590 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.733 26.716 -16.439 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.388 27.831 -15.390 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.078 27.398 -17.060 1.00 0.00 H new ATOM 0 HE ARG A 78 0.995 29.191 -16.275 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.480 29.109 -16.681 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.607 30.820 -17.103 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.168 31.398 -16.816 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.745 32.106 -17.179 1.00 0.00 H new ATOM 1011 N VAL A 79 -2.058 26.358 -12.359 1.00 0.00 N ATOM 1012 CA VAL A 79 -2.777 26.723 -11.129 1.00 0.00 C ATOM 1013 C VAL A 79 -3.785 25.626 -10.759 1.00 0.00 C ATOM 1014 O VAL A 79 -4.682 25.299 -11.539 1.00 0.00 O ATOM 1015 CB VAL A 79 -3.523 28.072 -11.334 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -4.342 28.456 -10.053 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -2.510 29.218 -11.662 1.00 0.00 C ATOM 0 H VAL A 79 -2.619 25.833 -13.030 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.056 26.829 -10.319 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.209 27.947 -12.172 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.855 29.403 -10.220 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.076 27.678 -9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.665 28.555 -9.204 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.052 30.153 -11.802 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.805 29.327 -10.838 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.967 28.973 -12.575 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.611 25.073 -9.562 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.475 24.013 -9.032 1.00 0.00 C ATOM 1029 C LEU A 80 -4.725 24.267 -7.546 1.00 0.00 C ATOM 1030 O LEU A 80 -3.824 24.105 -6.714 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.799 22.613 -9.205 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.228 22.737 -9.133 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -1.608 21.372 -8.745 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -1.605 23.292 -10.487 1.00 0.00 C ATOM 0 H LEU A 80 -2.863 25.347 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.416 24.020 -9.581 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.151 21.936 -8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.091 22.179 -10.161 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.985 23.467 -8.361 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.523 21.466 -8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.989 21.063 -7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.875 20.625 -9.493 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.522 23.360 -10.388 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.853 22.616 -11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.013 24.281 -10.697 1.00 0.00 H new ATOM 1046 N ASP A 81 -5.957 24.644 -7.227 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.396 24.898 -5.856 1.00 0.00 C ATOM 1048 C ASP A 81 -7.134 23.666 -5.361 1.00 0.00 C ATOM 1049 O ASP A 81 -7.108 22.615 -6.006 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.324 26.129 -5.833 1.00 0.00 C ATOM 1051 CG ASP A 81 -6.627 27.316 -6.503 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -5.447 27.498 -6.264 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -7.281 28.018 -7.258 1.00 0.00 O ATOM 0 H ASP A 81 -6.691 24.784 -7.921 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.543 25.100 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.256 25.903 -6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.584 26.381 -4.805 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.823 23.812 -4.229 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.616 22.728 -3.633 1.00 0.00 C ATOM 1060 C ALA A 82 -9.502 22.010 -4.680 1.00 0.00 C ATOM 1061 O ALA A 82 -9.998 20.906 -4.445 1.00 0.00 O ATOM 1062 CB ALA A 82 -9.510 23.305 -2.513 1.00 0.00 C ATOM 0 H ALA A 82 -7.849 24.682 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.921 21.992 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.100 22.503 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.884 23.762 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.178 24.057 -2.932 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.687 22.670 -5.828 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.512 22.130 -6.913 1.00 0.00 C ATOM 1070 C GLU A 83 -9.881 20.860 -7.508 1.00 0.00 C ATOM 1071 O GLU A 83 -10.471 19.783 -7.473 1.00 0.00 O ATOM 1072 CB GLU A 83 -10.652 23.206 -8.024 1.00 0.00 C ATOM 1073 CG GLU A 83 -11.317 24.485 -7.456 1.00 0.00 C ATOM 1074 CD GLU A 83 -11.506 25.546 -8.550 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -10.715 25.565 -9.481 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -12.447 26.311 -8.443 1.00 0.00 O ATOM 0 H GLU A 83 -9.275 23.581 -6.030 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.491 21.869 -6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.670 23.449 -8.430 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.249 22.813 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.284 24.232 -7.020 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.702 24.892 -6.653 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.667 21.002 -8.048 1.00 0.00 N ATOM 1084 CA GLU A 84 -7.924 19.879 -8.653 1.00 0.00 C ATOM 1085 C GLU A 84 -7.148 19.108 -7.595 1.00 0.00 C ATOM 1086 O GLU A 84 -6.779 17.945 -7.800 1.00 0.00 O ATOM 1087 CB GLU A 84 -6.948 20.407 -9.729 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.726 21.082 -10.888 1.00 0.00 C ATOM 1089 CD GLU A 84 -6.769 21.601 -11.973 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -5.596 21.257 -11.936 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -7.229 22.338 -12.823 1.00 0.00 O ATOM 0 H GLU A 84 -8.169 21.891 -8.081 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.645 19.205 -9.115 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.258 21.123 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.347 19.585 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.423 20.368 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.320 21.909 -10.498 1.00 0.00 H new ATOM 1098 N GLN A 85 -6.877 19.767 -6.466 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.100 19.148 -5.389 1.00 0.00 C ATOM 1100 C GLN A 85 -6.738 17.846 -4.935 1.00 0.00 C ATOM 1101 O GLN A 85 -6.041 16.908 -4.543 1.00 0.00 O ATOM 1102 CB GLN A 85 -6.007 20.100 -4.178 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.908 19.633 -3.188 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.819 20.579 -1.992 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -5.324 20.270 -0.912 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -4.219 21.725 -2.133 1.00 0.00 N ATOM 0 H GLN A 85 -7.181 20.722 -6.274 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.103 18.944 -5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.787 21.111 -4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.969 20.140 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -5.128 18.623 -2.843 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.946 19.593 -3.698 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -3.803 21.976 -3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.165 22.373 -1.347 1.00 0.00 H new ATOM 1115 N MET A 86 -8.079 17.799 -4.987 1.00 0.00 N ATOM 1116 CA MET A 86 -8.808 16.603 -4.569 1.00 0.00 C ATOM 1117 C MET A 86 -8.372 15.428 -5.428 1.00 0.00 C ATOM 1118 O MET A 86 -8.123 14.339 -4.924 1.00 0.00 O ATOM 1119 CB MET A 86 -10.335 16.820 -4.713 1.00 0.00 C ATOM 1120 CG MET A 86 -11.123 15.606 -4.154 1.00 0.00 C ATOM 1121 SD MET A 86 -12.905 15.886 -4.359 1.00 0.00 S ATOM 1122 CE MET A 86 -13.115 15.116 -5.992 1.00 0.00 C ATOM 0 H MET A 86 -8.668 18.566 -5.310 1.00 0.00 H new ATOM 0 HA MET A 86 -8.586 16.398 -3.522 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.629 17.725 -4.182 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.587 16.970 -5.763 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.826 14.696 -4.675 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.887 15.461 -3.100 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.159 15.188 -6.297 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.488 15.631 -6.720 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.824 14.067 -5.940 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.319 15.664 -6.743 1.00 0.00 N ATOM 1133 CA LYS A 87 -7.955 14.615 -7.688 1.00 0.00 C ATOM 1134 C LYS A 87 -6.624 13.987 -7.300 1.00 0.00 C ATOM 1135 O LYS A 87 -6.467 12.765 -7.343 1.00 0.00 O ATOM 1136 CB LYS A 87 -7.830 15.199 -9.121 1.00 0.00 C ATOM 1137 CG LYS A 87 -7.710 14.050 -10.198 1.00 0.00 C ATOM 1138 CD LYS A 87 -9.116 13.608 -10.685 1.00 0.00 C ATOM 1139 CE LYS A 87 -9.006 12.414 -11.648 1.00 0.00 C ATOM 1140 NZ LYS A 87 -10.368 12.070 -12.123 1.00 0.00 N ATOM 0 H LYS A 87 -8.523 16.567 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.738 13.857 -7.666 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.700 15.818 -9.341 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.955 15.847 -9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.119 14.398 -11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.183 13.197 -9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.734 13.336 -9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.612 14.440 -11.185 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -8.362 12.665 -12.491 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.553 11.560 -11.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.314 11.263 -12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.966 11.818 -11.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.781 12.888 -12.616 1.00 0.00 H new ATOM 1154 N MET A 88 -5.674 14.841 -6.922 1.00 0.00 N ATOM 1155 CA MET A 88 -4.352 14.371 -6.525 1.00 0.00 C ATOM 1156 C MET A 88 -4.437 13.534 -5.250 1.00 0.00 C ATOM 1157 O MET A 88 -4.024 12.379 -5.236 1.00 0.00 O ATOM 1158 CB MET A 88 -3.414 15.583 -6.284 1.00 0.00 C ATOM 1159 CG MET A 88 -1.977 15.107 -5.931 1.00 0.00 C ATOM 1160 SD MET A 88 -0.898 16.544 -5.711 1.00 0.00 S ATOM 1161 CE MET A 88 -1.125 16.765 -3.924 1.00 0.00 C ATOM 0 H MET A 88 -5.795 15.853 -6.883 1.00 0.00 H new ATOM 0 HA MET A 88 -3.952 13.750 -7.327 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.386 16.210 -7.175 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.807 16.198 -5.475 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.995 14.510 -5.019 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.590 14.467 -6.724 1.00 0.00 H new ATOM 0 HE1 MET A 88 -0.533 17.615 -3.584 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.178 16.947 -3.711 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.800 15.865 -3.402 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.965 14.135 -4.171 1.00 0.00 N ATOM 1172 CA ALA A 89 -5.072 13.446 -2.880 1.00 0.00 C ATOM 1173 C ALA A 89 -5.920 12.183 -2.991 1.00 0.00 C ATOM 1174 O ALA A 89 -5.616 11.172 -2.367 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.694 14.401 -1.837 1.00 0.00 C ATOM 0 H ALA A 89 -5.322 15.091 -4.169 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.070 13.152 -2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.774 13.890 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.061 15.282 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.686 14.706 -2.169 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.993 12.267 -3.784 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.913 11.139 -3.975 1.00 0.00 C ATOM 1183 C HIS A 90 -7.190 9.953 -4.613 1.00 0.00 C ATOM 1184 O HIS A 90 -7.504 8.798 -4.323 1.00 0.00 O ATOM 1185 CB HIS A 90 -9.113 11.567 -4.859 1.00 0.00 C ATOM 1186 CG HIS A 90 -10.094 10.420 -4.988 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -10.743 9.893 -3.885 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -10.504 9.671 -6.061 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -11.501 8.871 -4.310 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -11.395 8.692 -5.630 1.00 0.00 N ATOM 0 H HIS A 90 -7.247 13.106 -4.305 1.00 0.00 H new ATOM 0 HA HIS A 90 -8.285 10.833 -2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -9.608 12.433 -4.420 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.760 11.868 -5.845 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -10.185 9.818 -7.082 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -12.121 8.267 -3.664 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.866 7.989 -6.200 1.00 0.00 H new ATOM 1198 N ASP A 91 -6.255 10.238 -5.529 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.513 9.191 -6.226 1.00 0.00 C ATOM 1200 C ASP A 91 -4.301 8.781 -5.414 1.00 0.00 C ATOM 1201 O ASP A 91 -3.929 7.615 -5.382 1.00 0.00 O ATOM 1202 CB ASP A 91 -5.064 9.701 -7.616 1.00 0.00 C ATOM 1203 CG ASP A 91 -4.387 8.573 -8.411 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -5.095 7.681 -8.847 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -3.174 8.607 -8.549 1.00 0.00 O ATOM 0 H ASP A 91 -5.998 11.187 -5.801 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.162 8.325 -6.354 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.926 10.076 -8.168 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.373 10.536 -7.498 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.666 9.774 -4.786 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.448 9.536 -4.024 1.00 0.00 C ATOM 1212 C LEU A 92 -2.685 8.566 -2.868 1.00 0.00 C ATOM 1213 O LEU A 92 -1.885 7.661 -2.630 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.901 10.882 -3.468 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.429 10.714 -2.923 1.00 0.00 C ATOM 1216 CD1 LEU A 92 0.610 10.921 -4.062 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -0.152 11.703 -1.756 1.00 0.00 C ATOM 0 H LEU A 92 -3.977 10.745 -4.793 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.718 9.087 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.917 11.637 -4.254 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.550 11.240 -2.668 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.329 9.697 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.617 10.800 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.441 10.184 -4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.502 11.924 -4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.869 11.567 -1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.280 12.727 -2.108 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.850 11.510 -0.942 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.782 8.780 -2.145 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.127 7.944 -0.991 1.00 0.00 C ATOM 1231 C GLU A 93 -4.338 6.493 -1.420 1.00 0.00 C ATOM 1232 O GLU A 93 -3.962 5.556 -0.708 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.413 8.508 -0.327 1.00 0.00 C ATOM 1234 CG GLU A 93 -6.625 8.425 -1.302 1.00 0.00 C ATOM 1235 CD GLU A 93 -7.824 9.227 -0.776 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -7.652 10.412 -0.543 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -8.891 8.650 -0.624 1.00 0.00 O ATOM 0 H GLU A 93 -4.450 9.526 -2.336 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.307 7.962 -0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.633 7.948 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.250 9.544 -0.031 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -6.333 8.805 -2.281 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.914 7.383 -1.438 1.00 0.00 H new ATOM 1244 N GLY A 94 -4.947 6.314 -2.603 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.222 4.980 -3.138 1.00 0.00 C ATOM 1246 C GLY A 94 -3.936 4.260 -3.496 1.00 0.00 C ATOM 1247 O GLY A 94 -3.755 3.086 -3.168 1.00 0.00 O ATOM 0 H GLY A 94 -5.256 7.078 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.776 4.397 -2.403 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.855 5.062 -4.022 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.031 4.981 -4.176 1.00 0.00 N ATOM 1252 CA GLN A 95 -1.741 4.411 -4.587 1.00 0.00 C ATOM 1253 C GLN A 95 -1.014 3.843 -3.376 1.00 0.00 C ATOM 1254 O GLN A 95 -0.425 2.767 -3.445 1.00 0.00 O ATOM 1255 CB GLN A 95 -0.867 5.502 -5.258 1.00 0.00 C ATOM 1256 CG GLN A 95 -1.422 5.861 -6.657 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.615 6.995 -7.279 1.00 0.00 C ATOM 1258 OE1 GLN A 95 0.378 6.750 -7.963 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -0.979 8.227 -7.063 1.00 0.00 N ATOM 0 H GLN A 95 -3.168 5.954 -4.451 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.923 3.610 -5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.843 6.393 -4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.160 5.148 -5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.387 4.985 -7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.469 6.155 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.803 8.423 -6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.440 8.995 -7.462 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.073 4.572 -2.260 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.415 4.129 -1.036 1.00 0.00 C ATOM 1270 C LYS A 96 -0.976 2.771 -0.591 1.00 0.00 C ATOM 1271 O LYS A 96 -0.218 1.846 -0.301 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.634 5.180 0.081 1.00 0.00 C ATOM 1273 CG LYS A 96 0.208 4.820 1.337 1.00 0.00 C ATOM 1274 CD LYS A 96 0.004 5.867 2.457 1.00 0.00 C ATOM 1275 CE LYS A 96 0.858 5.485 3.687 1.00 0.00 C ATOM 1276 NZ LYS A 96 2.291 5.433 3.279 1.00 0.00 N ATOM 0 H LYS A 96 -1.565 5.462 -2.181 1.00 0.00 H new ATOM 0 HA LYS A 96 0.653 4.020 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.353 6.169 -0.281 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.691 5.225 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.077 3.833 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.263 4.769 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 96 0.287 6.857 2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.049 5.917 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.719 6.215 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.542 4.519 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 2.895 5.550 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.492 4.515 2.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.487 6.198 2.602 1.00 0.00 H new ATOM 1290 N SER A 97 -2.309 2.674 -0.535 1.00 0.00 N ATOM 1291 CA SER A 97 -2.976 1.432 -0.119 1.00 0.00 C ATOM 1292 C SER A 97 -2.685 0.300 -1.108 1.00 0.00 C ATOM 1293 O SER A 97 -2.443 -0.844 -0.712 1.00 0.00 O ATOM 1294 CB SER A 97 -4.492 1.667 -0.012 1.00 0.00 C ATOM 1295 OG SER A 97 -4.737 2.672 0.964 1.00 0.00 O ATOM 0 H SER A 97 -2.946 3.435 -0.771 1.00 0.00 H new ATOM 0 HA SER A 97 -2.588 1.139 0.856 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.894 1.974 -0.977 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.998 0.742 0.265 1.00 0.00 H new ATOM 0 HG SER A 97 -5.702 2.829 1.037 1.00 0.00 H new ATOM 1301 N ASP A 98 -2.731 0.636 -2.402 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.495 -0.346 -3.470 1.00 0.00 C ATOM 1303 C ASP A 98 -1.073 -0.899 -3.387 1.00 0.00 C ATOM 1304 O ASP A 98 -0.844 -2.085 -3.625 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.730 0.320 -4.848 1.00 0.00 C ATOM 1306 CG ASP A 98 -4.183 0.798 -4.966 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -5.060 0.054 -4.560 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -4.396 1.898 -5.452 1.00 0.00 O ATOM 0 H ASP A 98 -2.929 1.579 -2.736 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.192 -1.175 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.051 1.164 -4.973 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.507 -0.389 -5.645 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.119 -0.023 -3.056 1.00 0.00 N ATOM 1314 CA LEU A 99 1.290 -0.417 -2.939 1.00 0.00 C ATOM 1315 C LEU A 99 1.496 -1.340 -1.751 1.00 0.00 C ATOM 1316 O LEU A 99 2.242 -2.320 -1.832 1.00 0.00 O ATOM 1317 CB LEU A 99 2.171 0.854 -2.804 1.00 0.00 C ATOM 1318 CG LEU A 99 2.317 1.586 -4.194 1.00 0.00 C ATOM 1319 CD1 LEU A 99 2.723 3.061 -3.981 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.383 0.875 -5.087 1.00 0.00 C ATOM 0 H LEU A 99 -0.296 0.963 -2.864 1.00 0.00 H new ATOM 0 HA LEU A 99 1.582 -0.962 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.728 1.533 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.156 0.580 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 99 1.352 1.546 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.820 3.555 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.959 3.567 -3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.676 3.104 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.466 1.397 -6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.348 0.887 -4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.079 -0.157 -5.264 1.00 0.00 H new ATOM 1332 N ASN A 100 0.838 -1.015 -0.635 1.00 0.00 N ATOM 1333 CA ASN A 100 0.969 -1.812 0.584 1.00 0.00 C ATOM 1334 C ASN A 100 0.584 -3.263 0.296 1.00 0.00 C ATOM 1335 O ASN A 100 1.270 -4.187 0.724 1.00 0.00 O ATOM 1336 CB ASN A 100 0.059 -1.224 1.683 1.00 0.00 C ATOM 1337 CG ASN A 100 0.390 0.250 1.926 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -0.482 1.018 2.327 1.00 0.00 O ATOM 1339 ND2 ASN A 100 1.599 0.696 1.700 1.00 0.00 N ATOM 0 H ASN A 100 0.215 -0.212 -0.552 1.00 0.00 H new ATOM 0 HA ASN A 100 2.003 -1.786 0.928 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -0.986 -1.324 1.389 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.185 -1.788 2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.817 1.680 1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 100 2.323 0.060 1.367 1.00 0.00 H new ATOM 1346 N ASN A 101 -0.513 -3.440 -0.450 1.00 0.00 N ATOM 1347 CA ASN A 101 -0.978 -4.781 -0.821 1.00 0.00 C ATOM 1348 C ASN A 101 -0.040 -5.403 -1.846 1.00 0.00 C ATOM 1349 O ASN A 101 0.380 -6.553 -1.700 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.399 -4.692 -1.410 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.336 -4.061 -0.385 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -3.226 -4.344 0.808 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -4.247 -3.219 -0.776 1.00 0.00 N ATOM 0 H ASN A 101 -1.091 -2.678 -0.806 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.990 -5.407 0.071 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.389 -4.098 -2.324 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.755 -5.686 -1.680 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.873 -2.791 -0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.336 -2.986 -1.765 1.00 0.00 H new ATOM 1360 N GLN A 102 0.267 -4.631 -2.904 1.00 0.00 N ATOM 1361 CA GLN A 102 1.133 -5.114 -3.990 1.00 0.00 C ATOM 1362 C GLN A 102 2.394 -5.743 -3.416 1.00 0.00 C ATOM 1363 O GLN A 102 2.843 -6.794 -3.876 1.00 0.00 O ATOM 1364 CB GLN A 102 1.528 -3.944 -4.941 1.00 0.00 C ATOM 1365 CG GLN A 102 2.235 -4.474 -6.228 1.00 0.00 C ATOM 1366 CD GLN A 102 1.246 -5.270 -7.086 1.00 0.00 C ATOM 1367 OE1 GLN A 102 0.098 -4.851 -7.242 1.00 0.00 O ATOM 1368 NE2 GLN A 102 1.605 -6.403 -7.621 1.00 0.00 N ATOM 0 H GLN A 102 -0.070 -3.676 -3.028 1.00 0.00 H new ATOM 0 HA GLN A 102 0.579 -5.862 -4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.637 -3.381 -5.219 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.190 -3.254 -4.417 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.635 -3.638 -6.802 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.080 -5.106 -5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.556 -6.750 -7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.935 -6.943 -8.169 1.00 0.00 H new ATOM 1377 N LEU A 103 2.946 -5.077 -2.399 1.00 0.00 N ATOM 1378 CA LEU A 103 4.158 -5.545 -1.725 1.00 0.00 C ATOM 1379 C LEU A 103 3.810 -6.252 -0.429 1.00 0.00 C ATOM 1380 O LEU A 103 4.695 -6.742 0.272 1.00 0.00 O ATOM 1381 CB LEU A 103 5.101 -4.329 -1.425 1.00 0.00 C ATOM 1382 CG LEU A 103 6.608 -4.799 -1.329 1.00 0.00 C ATOM 1383 CD1 LEU A 103 7.244 -4.886 -2.748 1.00 0.00 C ATOM 1384 CD2 LEU A 103 7.432 -3.841 -0.427 1.00 0.00 C ATOM 0 H LEU A 103 2.570 -4.207 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 103 4.669 -6.250 -2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 103 4.998 -3.580 -2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 103 4.803 -3.854 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 103 6.624 -5.791 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 103 8.281 -5.211 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.688 -5.602 -3.353 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.209 -3.906 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 103 8.465 -4.186 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.405 -2.835 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.005 -3.828 0.576 1.00 0.00 H new