USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 16 SER OG : rot 150:sc= 1.27 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.0845 USER MOD Single : A 13 THR OG1 : rot 90:sc= -0.43 USER MOD Single : A 15 TYR OH : rot -161:sc= 0.949 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 29 SER OG : rot 81:sc= 1.19 USER MOD Single : A 30 MET CE :methyl -165:sc= -2.44! (180deg=-3.19!) USER MOD Single : A 51 GLN : amide:sc= -0.609 K(o=-0.61,f=-3.3!) USER MOD Single : A 54 THR OG1 : rot 72:sc= 1.13 USER MOD Single : A 56 GLN : amide:sc= -0.0502 X(o=-0.05,f=-0.11) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -167:sc= -0.0156 (180deg=-0.155) USER MOD ----------------------------------------------------------------- ATOM 88 N SER A 7 11.441 -7.241 -7.769 1.00 0.00 N ATOM 89 CA SER A 7 12.449 -7.481 -6.752 1.00 0.00 C ATOM 90 C SER A 7 11.859 -8.272 -5.590 1.00 0.00 C ATOM 91 O SER A 7 12.203 -9.435 -5.383 1.00 0.00 O ATOM 92 CB SER A 7 13.030 -6.154 -6.252 1.00 0.00 C ATOM 93 OG SER A 7 13.950 -6.363 -5.191 1.00 0.00 O ATOM 0 HA SER A 7 13.253 -8.068 -7.196 1.00 0.00 H new ATOM 0 HB2 SER A 7 13.529 -5.640 -7.074 1.00 0.00 H new ATOM 0 HB3 SER A 7 12.222 -5.505 -5.914 1.00 0.00 H new ATOM 0 HG SER A 7 14.307 -5.500 -4.892 1.00 0.00 H new ATOM 99 N ARG A 8 10.957 -7.644 -4.843 1.00 0.00 N ATOM 100 CA ARG A 8 10.384 -8.260 -3.660 1.00 0.00 C ATOM 101 C ARG A 8 8.879 -8.050 -3.616 1.00 0.00 C ATOM 102 O ARG A 8 8.340 -7.181 -4.298 1.00 0.00 O ATOM 103 CB ARG A 8 11.037 -7.678 -2.406 1.00 0.00 C ATOM 104 CG ARG A 8 12.512 -8.021 -2.291 1.00 0.00 C ATOM 105 CD ARG A 8 13.259 -7.044 -1.398 1.00 0.00 C ATOM 106 NE ARG A 8 12.913 -7.198 0.013 1.00 0.00 N ATOM 107 CZ ARG A 8 12.940 -6.203 0.897 1.00 0.00 C ATOM 108 NH1 ARG A 8 13.261 -4.971 0.515 1.00 0.00 N ATOM 109 NH2 ARG A 8 12.642 -6.439 2.166 1.00 0.00 N ATOM 0 H ARG A 8 10.609 -6.706 -5.040 1.00 0.00 H new ATOM 0 HA ARG A 8 10.575 -9.332 -3.699 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.921 -6.594 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.514 -8.049 -1.525 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.619 -9.030 -1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.962 -8.021 -3.284 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.332 -7.190 -1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.036 -6.025 -1.714 1.00 0.00 H new ATOM 0 HE ARG A 8 12.634 -8.123 0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.489 -4.783 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.280 -4.214 1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.392 -7.382 2.464 1.00 0.00 H new ATOM 0 HH22 ARG A 8 12.662 -5.678 2.845 1.00 0.00 H new ATOM 123 N SER A 9 8.209 -8.859 -2.824 1.00 0.00 N ATOM 124 CA SER A 9 6.768 -8.758 -2.668 1.00 0.00 C ATOM 125 C SER A 9 6.426 -8.442 -1.213 1.00 0.00 C ATOM 126 O SER A 9 7.077 -8.934 -0.289 1.00 0.00 O ATOM 127 CB SER A 9 6.106 -10.059 -3.118 1.00 0.00 C ATOM 128 OG SER A 9 6.508 -10.398 -4.438 1.00 0.00 O ATOM 0 H SER A 9 8.640 -9.601 -2.273 1.00 0.00 H new ATOM 0 HA SER A 9 6.389 -7.948 -3.292 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.373 -10.864 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.022 -9.953 -3.079 1.00 0.00 H new ATOM 0 HG SER A 9 6.075 -11.235 -4.707 1.00 0.00 H new ATOM 134 N TYR A 10 5.420 -7.603 -1.013 1.00 0.00 N ATOM 135 CA TYR A 10 5.075 -7.139 0.327 1.00 0.00 C ATOM 136 C TYR A 10 3.583 -7.315 0.578 1.00 0.00 C ATOM 137 O TYR A 10 2.768 -6.953 -0.265 1.00 0.00 O ATOM 138 CB TYR A 10 5.444 -5.657 0.479 1.00 0.00 C ATOM 139 CG TYR A 10 6.738 -5.268 -0.214 1.00 0.00 C ATOM 140 CD1 TYR A 10 7.974 -5.540 0.359 1.00 0.00 C ATOM 141 CD2 TYR A 10 6.718 -4.635 -1.453 1.00 0.00 C ATOM 142 CE1 TYR A 10 9.151 -5.191 -0.279 1.00 0.00 C ATOM 143 CE2 TYR A 10 7.889 -4.287 -2.099 1.00 0.00 C ATOM 144 CZ TYR A 10 9.103 -4.565 -1.508 1.00 0.00 C ATOM 145 OH TYR A 10 10.271 -4.221 -2.151 1.00 0.00 O ATOM 0 H TYR A 10 4.830 -7.230 -1.756 1.00 0.00 H new ATOM 0 HA TYR A 10 5.633 -7.730 1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.633 -5.048 0.079 1.00 0.00 H new ATOM 0 HB3 TYR A 10 5.527 -5.421 1.540 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.017 -6.032 1.319 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.769 -4.411 -1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.103 -5.407 0.183 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.853 -3.800 -3.062 1.00 0.00 H new ATOM 0 HH TYR A 10 10.059 -3.790 -3.005 1.00 0.00 H new ATOM 155 N ARG A 11 3.220 -7.868 1.730 1.00 0.00 N ATOM 156 CA ARG A 11 1.815 -8.015 2.076 1.00 0.00 C ATOM 157 C ARG A 11 1.309 -6.784 2.803 1.00 0.00 C ATOM 158 O ARG A 11 2.087 -6.020 3.378 1.00 0.00 O ATOM 159 CB ARG A 11 1.557 -9.243 2.948 1.00 0.00 C ATOM 160 CG ARG A 11 1.568 -10.559 2.192 1.00 0.00 C ATOM 161 CD ARG A 11 0.929 -11.666 3.014 1.00 0.00 C ATOM 162 NE ARG A 11 0.807 -12.913 2.263 1.00 0.00 N ATOM 163 CZ ARG A 11 -0.349 -13.416 1.826 1.00 0.00 C ATOM 164 NH1 ARG A 11 -1.485 -12.748 2.011 1.00 0.00 N ATOM 165 NH2 ARG A 11 -0.360 -14.580 1.190 1.00 0.00 N ATOM 0 H ARG A 11 3.872 -8.218 2.432 1.00 0.00 H new ATOM 0 HA ARG A 11 1.278 -8.141 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.312 -9.282 3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.591 -9.128 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.032 -10.445 1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.594 -10.831 1.944 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.525 -11.841 3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.059 -11.346 3.345 1.00 0.00 H new ATOM 0 HE ARG A 11 1.661 -13.433 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.475 -11.847 2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.366 -13.137 1.675 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.512 -15.086 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.241 -14.969 0.854 1.00 0.00 H new ATOM 179 N ILE A 12 0.004 -6.610 2.784 1.00 0.00 N ATOM 180 CA ILE A 12 -0.618 -5.480 3.447 1.00 0.00 C ATOM 181 C ILE A 12 -1.196 -5.914 4.788 1.00 0.00 C ATOM 182 O ILE A 12 -2.158 -6.682 4.841 1.00 0.00 O ATOM 183 CB ILE A 12 -1.742 -4.859 2.586 1.00 0.00 C ATOM 184 CG1 ILE A 12 -1.228 -4.565 1.171 1.00 0.00 C ATOM 185 CG2 ILE A 12 -2.267 -3.585 3.242 1.00 0.00 C ATOM 186 CD1 ILE A 12 -2.272 -3.977 0.246 1.00 0.00 C ATOM 0 H ILE A 12 -0.649 -7.238 2.316 1.00 0.00 H new ATOM 0 HA ILE A 12 0.154 -4.726 3.599 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.562 -5.573 2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.387 -3.875 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.849 -5.489 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.058 -3.158 2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.664 -3.821 4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.455 -2.865 3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.830 -3.798 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.104 -4.674 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.634 -3.035 0.658 1.00 0.00 H new ATOM 198 N THR A 13 -0.595 -5.436 5.864 1.00 0.00 N ATOM 199 CA THR A 13 -1.053 -5.759 7.206 1.00 0.00 C ATOM 200 C THR A 13 -2.294 -4.945 7.550 1.00 0.00 C ATOM 201 O THR A 13 -3.137 -5.363 8.345 1.00 0.00 O ATOM 202 CB THR A 13 0.039 -5.457 8.237 1.00 0.00 C ATOM 203 OG1 THR A 13 1.311 -5.382 7.581 1.00 0.00 O ATOM 204 CG2 THR A 13 0.083 -6.527 9.318 1.00 0.00 C ATOM 0 H THR A 13 0.217 -4.819 5.834 1.00 0.00 H new ATOM 0 HA THR A 13 -1.291 -6.822 7.233 1.00 0.00 H new ATOM 0 HB THR A 13 -0.190 -4.502 8.710 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.478 -4.460 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.867 -6.287 10.036 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.878 -6.566 9.830 1.00 0.00 H new ATOM 0 HG23 THR A 13 0.292 -7.495 8.863 1.00 0.00 H new ATOM 212 N GLY A 14 -2.401 -3.785 6.924 1.00 0.00 N ATOM 213 CA GLY A 14 -3.499 -2.892 7.197 1.00 0.00 C ATOM 214 C GLY A 14 -3.128 -1.458 6.914 1.00 0.00 C ATOM 215 O GLY A 14 -2.297 -1.186 6.047 1.00 0.00 O ATOM 0 H GLY A 14 -1.739 -3.446 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.358 -3.174 6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.800 -2.992 8.240 1.00 0.00 H new ATOM 219 N TYR A 15 -3.729 -0.542 7.646 1.00 0.00 N ATOM 220 CA TYR A 15 -3.468 0.872 7.459 1.00 0.00 C ATOM 221 C TYR A 15 -2.875 1.456 8.733 1.00 0.00 C ATOM 222 O TYR A 15 -3.138 0.953 9.827 1.00 0.00 O ATOM 223 CB TYR A 15 -4.759 1.611 7.103 1.00 0.00 C ATOM 224 CG TYR A 15 -5.557 0.967 5.993 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.371 -0.128 6.249 1.00 0.00 C ATOM 226 CD2 TYR A 15 -5.508 1.458 4.696 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.111 -0.715 5.249 1.00 0.00 C ATOM 228 CE2 TYR A 15 -6.249 0.873 3.685 1.00 0.00 C ATOM 229 CZ TYR A 15 -7.048 -0.213 3.969 1.00 0.00 C ATOM 230 OH TYR A 15 -7.803 -0.793 2.977 1.00 0.00 O ATOM 0 H TYR A 15 -4.405 -0.753 8.380 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.759 0.993 6.640 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.384 1.676 7.994 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.511 2.632 6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.424 -0.526 7.251 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.882 2.309 4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.739 -1.566 5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.202 1.265 2.680 1.00 0.00 H new ATOM 0 HH TYR A 15 -7.440 -0.544 2.102 1.00 0.00 H new ATOM 240 N SER A 16 -2.072 2.499 8.595 1.00 0.00 N ATOM 241 CA SER A 16 -1.478 3.159 9.738 1.00 0.00 C ATOM 242 C SER A 16 -2.566 3.795 10.606 1.00 0.00 C ATOM 243 O SER A 16 -3.549 4.319 10.090 1.00 0.00 O ATOM 244 CB SER A 16 -0.484 4.208 9.252 1.00 0.00 C ATOM 245 OG SER A 16 0.486 3.625 8.395 1.00 0.00 O ATOM 0 H SER A 16 -1.818 2.906 7.695 1.00 0.00 H new ATOM 0 HA SER A 16 -0.948 2.428 10.349 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.014 5.000 8.723 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.010 4.671 10.106 1.00 0.00 H new ATOM 0 HG SER A 16 0.783 4.289 7.738 1.00 0.00 H new ATOM 251 N PRO A 17 -2.395 3.764 11.938 1.00 0.00 N ATOM 252 CA PRO A 17 -3.419 4.221 12.896 1.00 0.00 C ATOM 253 C PRO A 17 -3.761 5.710 12.776 1.00 0.00 C ATOM 254 O PRO A 17 -4.612 6.217 13.508 1.00 0.00 O ATOM 255 CB PRO A 17 -2.789 3.931 14.265 1.00 0.00 C ATOM 256 CG PRO A 17 -1.695 2.956 13.999 1.00 0.00 C ATOM 257 CD PRO A 17 -1.191 3.270 12.624 1.00 0.00 C ATOM 0 HA PRO A 17 -4.367 3.713 12.719 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.401 4.842 14.720 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.524 3.518 14.956 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.899 3.051 14.738 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.062 1.931 14.056 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.401 4.021 12.645 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.780 2.388 12.133 1.00 0.00 H new ATOM 265 N ALA A 18 -3.107 6.400 11.854 1.00 0.00 N ATOM 266 CA ALA A 18 -3.340 7.825 11.651 1.00 0.00 C ATOM 267 C ALA A 18 -4.346 8.073 10.525 1.00 0.00 C ATOM 268 O ALA A 18 -4.764 9.207 10.293 1.00 0.00 O ATOM 269 CB ALA A 18 -2.027 8.535 11.351 1.00 0.00 C ATOM 0 H ALA A 18 -2.408 5.996 11.231 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.763 8.229 12.571 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.214 9.598 11.201 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.342 8.402 12.188 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.584 8.114 10.448 1.00 0.00 H new ATOM 275 N ILE A 19 -4.738 7.012 9.832 1.00 0.00 N ATOM 276 CA ILE A 19 -5.660 7.139 8.709 1.00 0.00 C ATOM 277 C ILE A 19 -7.112 7.063 9.191 1.00 0.00 C ATOM 278 O ILE A 19 -7.418 6.394 10.181 1.00 0.00 O ATOM 279 CB ILE A 19 -5.398 6.050 7.639 1.00 0.00 C ATOM 280 CG1 ILE A 19 -6.118 6.394 6.334 1.00 0.00 C ATOM 281 CG2 ILE A 19 -5.842 4.687 8.139 1.00 0.00 C ATOM 282 CD1 ILE A 19 -5.873 5.400 5.220 1.00 0.00 C ATOM 0 H ILE A 19 -4.434 6.058 10.026 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.490 8.114 8.252 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.326 6.015 7.447 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.189 6.453 6.526 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.798 7.382 6.003 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.649 3.937 7.372 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.288 4.433 9.043 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.909 4.711 8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.416 5.712 4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.807 5.357 4.999 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.219 4.414 5.530 1.00 0.00 H new ATOM 294 N SER A 20 -7.997 7.764 8.496 1.00 0.00 N ATOM 295 CA SER A 20 -9.409 7.766 8.841 1.00 0.00 C ATOM 296 C SER A 20 -10.126 6.629 8.112 1.00 0.00 C ATOM 297 O SER A 20 -9.602 6.084 7.136 1.00 0.00 O ATOM 298 CB SER A 20 -10.039 9.119 8.494 1.00 0.00 C ATOM 299 OG SER A 20 -11.343 9.231 9.039 1.00 0.00 O ATOM 0 H SER A 20 -7.760 8.340 7.688 1.00 0.00 H new ATOM 0 HA SER A 20 -9.513 7.608 9.914 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.412 9.924 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.083 9.236 7.411 1.00 0.00 H new ATOM 0 HG SER A 20 -11.722 10.104 8.804 1.00 0.00 H new ATOM 305 N ASN A 21 -11.320 6.278 8.580 1.00 0.00 N ATOM 306 CA ASN A 21 -12.047 5.120 8.054 1.00 0.00 C ATOM 307 C ASN A 21 -12.547 5.356 6.630 1.00 0.00 C ATOM 308 O ASN A 21 -12.487 4.457 5.794 1.00 0.00 O ATOM 309 CB ASN A 21 -13.219 4.746 8.971 1.00 0.00 C ATOM 310 CG ASN A 21 -14.015 3.561 8.447 1.00 0.00 C ATOM 311 OD1 ASN A 21 -13.660 2.406 8.675 1.00 0.00 O ATOM 312 ND2 ASN A 21 -15.112 3.840 7.758 1.00 0.00 N ATOM 0 H ASN A 21 -11.808 6.778 9.323 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.342 4.289 8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.838 4.512 9.965 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.881 5.605 9.078 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -15.694 3.084 7.397 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.375 4.811 7.589 1.00 0.00 H new ATOM 319 N GLY A 22 -13.041 6.557 6.352 1.00 0.00 N ATOM 320 CA GLY A 22 -13.496 6.873 5.007 1.00 0.00 C ATOM 321 C GLY A 22 -12.375 6.775 3.989 1.00 0.00 C ATOM 322 O GLY A 22 -12.596 6.375 2.846 1.00 0.00 O ATOM 0 H GLY A 22 -13.135 7.315 7.028 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.300 6.192 4.727 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -13.912 7.881 4.992 1.00 0.00 H new ATOM 326 N TYR A 23 -11.163 7.119 4.408 1.00 0.00 N ATOM 327 CA TYR A 23 -10.001 6.982 3.558 1.00 0.00 C ATOM 328 C TYR A 23 -9.708 5.513 3.297 1.00 0.00 C ATOM 329 O TYR A 23 -9.348 5.131 2.185 1.00 0.00 O ATOM 330 CB TYR A 23 -8.797 7.660 4.204 1.00 0.00 C ATOM 331 CG TYR A 23 -8.800 9.169 4.078 1.00 0.00 C ATOM 332 CD1 TYR A 23 -8.671 9.782 2.837 1.00 0.00 C ATOM 333 CD2 TYR A 23 -8.923 9.976 5.200 1.00 0.00 C ATOM 334 CE1 TYR A 23 -8.663 11.157 2.718 1.00 0.00 C ATOM 335 CE2 TYR A 23 -8.917 11.353 5.086 1.00 0.00 C ATOM 336 CZ TYR A 23 -8.788 11.938 3.844 1.00 0.00 C ATOM 337 OH TYR A 23 -8.778 13.310 3.731 1.00 0.00 O ATOM 0 H TYR A 23 -10.966 7.495 5.335 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.204 7.467 2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.766 7.394 5.261 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.886 7.269 3.750 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.575 9.172 1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.025 9.522 6.175 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.559 11.617 1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.013 11.970 5.967 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.877 13.712 4.619 1.00 0.00 H new ATOM 347 N ARG A 24 -9.889 4.697 4.328 1.00 0.00 N ATOM 348 CA ARG A 24 -9.749 3.255 4.209 1.00 0.00 C ATOM 349 C ARG A 24 -10.728 2.724 3.176 1.00 0.00 C ATOM 350 O ARG A 24 -10.381 1.894 2.341 1.00 0.00 O ATOM 351 CB ARG A 24 -10.029 2.599 5.562 1.00 0.00 C ATOM 352 CG ARG A 24 -9.852 1.094 5.565 1.00 0.00 C ATOM 353 CD ARG A 24 -10.346 0.465 6.862 1.00 0.00 C ATOM 354 NE ARG A 24 -9.778 1.110 8.046 1.00 0.00 N ATOM 355 CZ ARG A 24 -9.767 0.566 9.266 1.00 0.00 C ATOM 356 NH1 ARG A 24 -10.211 -0.672 9.456 1.00 0.00 N ATOM 357 NH2 ARG A 24 -9.297 1.264 10.292 1.00 0.00 N ATOM 0 H ARG A 24 -10.136 5.016 5.265 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.732 3.020 3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.366 3.034 6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.049 2.835 5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.394 0.663 4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.799 0.852 5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.433 0.529 6.903 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.089 -0.594 6.870 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.364 2.035 7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.564 -1.214 8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.199 -1.080 10.391 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.947 2.211 10.147 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.286 0.854 11.226 1.00 0.00 H new ATOM 371 N GLN A 25 -11.950 3.230 3.239 1.00 0.00 N ATOM 372 CA GLN A 25 -13.005 2.804 2.345 1.00 0.00 C ATOM 373 C GLN A 25 -12.687 3.165 0.899 1.00 0.00 C ATOM 374 O GLN A 25 -12.979 2.399 -0.020 1.00 0.00 O ATOM 375 CB GLN A 25 -14.326 3.429 2.783 1.00 0.00 C ATOM 376 CG GLN A 25 -14.828 2.901 4.118 1.00 0.00 C ATOM 377 CD GLN A 25 -16.225 3.382 4.469 1.00 0.00 C ATOM 378 OE1 GLN A 25 -16.603 4.549 3.970 1.00 0.00 O flip ATOM 379 NE2 GLN A 25 -16.969 2.699 5.177 1.00 0.00 N flip ATOM 0 H GLN A 25 -12.233 3.944 3.910 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.088 1.718 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.204 4.510 2.851 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.080 3.241 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.822 1.811 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.138 3.207 4.904 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.644 1.805 5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.909 3.029 5.395 1.00 0.00 H new ATOM 388 N ARG A 26 -12.073 4.324 0.700 1.00 0.00 N ATOM 389 CA ARG A 26 -11.697 4.750 -0.640 1.00 0.00 C ATOM 390 C ARG A 26 -10.520 3.924 -1.144 1.00 0.00 C ATOM 391 O ARG A 26 -10.451 3.584 -2.323 1.00 0.00 O ATOM 392 CB ARG A 26 -11.341 6.238 -0.655 1.00 0.00 C ATOM 393 CG ARG A 26 -11.259 6.826 -2.059 1.00 0.00 C ATOM 394 CD ARG A 26 -11.056 8.333 -2.026 1.00 0.00 C ATOM 395 NE ARG A 26 -10.998 8.912 -3.371 1.00 0.00 N ATOM 396 CZ ARG A 26 -11.141 10.213 -3.631 1.00 0.00 C ATOM 397 NH1 ARG A 26 -11.377 11.074 -2.648 1.00 0.00 N ATOM 398 NH2 ARG A 26 -11.048 10.649 -4.881 1.00 0.00 N ATOM 0 H ARG A 26 -11.827 4.980 1.442 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.549 4.593 -1.302 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.087 6.788 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -10.384 6.380 -0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.437 6.360 -2.602 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.173 6.594 -2.605 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -11.870 8.796 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.133 8.562 -1.493 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.838 8.282 -4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.450 10.742 -1.686 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.485 12.067 -2.855 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.868 9.990 -5.639 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -11.157 11.643 -5.084 1.00 0.00 H new ATOM 412 N LEU A 27 -9.607 3.589 -0.237 1.00 0.00 N ATOM 413 CA LEU A 27 -8.441 2.781 -0.587 1.00 0.00 C ATOM 414 C LEU A 27 -8.863 1.359 -0.925 1.00 0.00 C ATOM 415 O LEU A 27 -8.395 0.777 -1.905 1.00 0.00 O ATOM 416 CB LEU A 27 -7.422 2.768 0.557 1.00 0.00 C ATOM 417 CG LEU A 27 -6.672 4.083 0.781 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.751 3.972 1.984 1.00 0.00 C ATOM 419 CD2 LEU A 27 -5.876 4.459 -0.457 1.00 0.00 C ATOM 0 H LEU A 27 -9.651 3.863 0.744 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.971 3.228 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.939 2.502 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.693 1.982 0.363 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.404 4.867 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.226 4.916 2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.339 3.744 2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.026 3.176 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.349 5.397 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.154 3.673 -0.678 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.553 4.578 -1.303 1.00 0.00 H new ATOM 431 N PHE A 28 -9.763 0.821 -0.114 1.00 0.00 N ATOM 432 CA PHE A 28 -10.301 -0.517 -0.316 1.00 0.00 C ATOM 433 C PHE A 28 -10.969 -0.607 -1.682 1.00 0.00 C ATOM 434 O PHE A 28 -10.750 -1.553 -2.438 1.00 0.00 O ATOM 435 CB PHE A 28 -11.318 -0.828 0.787 1.00 0.00 C ATOM 436 CG PHE A 28 -11.596 -2.293 0.991 1.00 0.00 C ATOM 437 CD1 PHE A 28 -12.366 -3.007 0.086 1.00 0.00 C ATOM 438 CD2 PHE A 28 -11.089 -2.954 2.099 1.00 0.00 C ATOM 439 CE1 PHE A 28 -12.625 -4.349 0.282 1.00 0.00 C ATOM 440 CE2 PHE A 28 -11.345 -4.296 2.301 1.00 0.00 C ATOM 441 CZ PHE A 28 -12.113 -4.994 1.389 1.00 0.00 C ATOM 0 H PHE A 28 -10.141 1.300 0.703 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.490 -1.244 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.957 -0.407 1.725 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.255 -0.324 0.551 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -12.768 -2.507 -0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -10.486 -2.413 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.228 -4.893 -0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.946 -4.799 3.170 1.00 0.00 H new ATOM 0 HZ PHE A 28 -12.313 -6.044 1.543 1.00 0.00 H new ATOM 451 N SER A 29 -11.763 0.411 -1.996 1.00 0.00 N ATOM 452 CA SER A 29 -12.468 0.490 -3.268 1.00 0.00 C ATOM 453 C SER A 29 -11.498 0.601 -4.442 1.00 0.00 C ATOM 454 O SER A 29 -11.781 0.128 -5.543 1.00 0.00 O ATOM 455 CB SER A 29 -13.408 1.694 -3.262 1.00 0.00 C ATOM 456 OG SER A 29 -14.385 1.572 -2.241 1.00 0.00 O ATOM 0 H SER A 29 -11.935 1.203 -1.376 1.00 0.00 H new ATOM 0 HA SER A 29 -13.042 -0.428 -3.391 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.833 2.608 -3.112 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.899 1.781 -4.231 1.00 0.00 H new ATOM 0 HG SER A 29 -13.997 1.842 -1.383 1.00 0.00 H new ATOM 462 N MET A 30 -10.358 1.235 -4.203 1.00 0.00 N ATOM 463 CA MET A 30 -9.352 1.416 -5.243 1.00 0.00 C ATOM 464 C MET A 30 -8.490 0.169 -5.417 1.00 0.00 C ATOM 465 O MET A 30 -7.786 0.033 -6.419 1.00 0.00 O ATOM 466 CB MET A 30 -8.474 2.636 -4.951 1.00 0.00 C ATOM 467 CG MET A 30 -9.164 3.959 -5.248 1.00 0.00 C ATOM 468 SD MET A 30 -8.061 5.375 -5.098 1.00 0.00 S ATOM 469 CE MET A 30 -7.664 5.318 -3.352 1.00 0.00 C ATOM 0 H MET A 30 -10.106 1.633 -3.298 1.00 0.00 H new ATOM 0 HA MET A 30 -9.883 1.587 -6.179 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.175 2.617 -3.903 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.562 2.569 -5.544 1.00 0.00 H new ATOM 0 HG2 MET A 30 -9.575 3.930 -6.257 1.00 0.00 H new ATOM 0 HG3 MET A 30 -10.004 4.086 -4.566 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.216 6.264 -3.050 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.574 5.148 -2.777 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.960 4.507 -3.165 1.00 0.00 H new ATOM 479 N GLY A 31 -8.546 -0.737 -4.448 1.00 0.00 N ATOM 480 CA GLY A 31 -7.848 -2.002 -4.584 1.00 0.00 C ATOM 481 C GLY A 31 -6.760 -2.209 -3.550 1.00 0.00 C ATOM 482 O GLY A 31 -6.009 -3.180 -3.622 1.00 0.00 O ATOM 0 H GLY A 31 -9.059 -0.620 -3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.569 -2.815 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.407 -2.059 -5.579 1.00 0.00 H new ATOM 486 N LEU A 32 -6.672 -1.308 -2.586 1.00 0.00 N ATOM 487 CA LEU A 32 -5.686 -1.430 -1.521 1.00 0.00 C ATOM 488 C LEU A 32 -6.364 -1.869 -0.232 1.00 0.00 C ATOM 489 O LEU A 32 -6.940 -1.053 0.486 1.00 0.00 O ATOM 490 CB LEU A 32 -4.948 -0.102 -1.312 1.00 0.00 C ATOM 491 CG LEU A 32 -4.149 0.399 -2.521 1.00 0.00 C ATOM 492 CD1 LEU A 32 -3.514 1.747 -2.216 1.00 0.00 C ATOM 493 CD2 LEU A 32 -3.081 -0.615 -2.912 1.00 0.00 C ATOM 0 H LEU A 32 -7.270 -0.484 -2.517 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.954 -2.184 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.677 0.661 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.268 -0.212 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.834 0.520 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.951 2.089 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.294 2.472 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.842 1.648 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.524 -0.243 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.399 -0.766 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.555 -1.562 -3.169 1.00 0.00 H new ATOM 505 N LEU A 33 -6.305 -3.163 0.054 1.00 0.00 N ATOM 506 CA LEU A 33 -7.012 -3.720 1.192 1.00 0.00 C ATOM 507 C LEU A 33 -6.083 -4.564 2.062 1.00 0.00 C ATOM 508 O LEU A 33 -5.116 -5.151 1.567 1.00 0.00 O ATOM 509 CB LEU A 33 -8.203 -4.569 0.724 1.00 0.00 C ATOM 510 CG LEU A 33 -7.862 -5.820 -0.097 1.00 0.00 C ATOM 511 CD1 LEU A 33 -9.009 -6.815 -0.033 1.00 0.00 C ATOM 512 CD2 LEU A 33 -7.573 -5.457 -1.549 1.00 0.00 C ATOM 0 H LEU A 33 -5.774 -3.844 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.381 -2.888 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.769 -4.879 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.861 -3.937 0.128 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.967 -6.273 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.757 -7.699 -0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.183 -7.104 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.911 -6.357 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.334 -6.361 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.450 -4.980 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.728 -4.770 -1.591 1.00 0.00 H new ATOM 524 N PRO A 34 -6.369 -4.635 3.375 1.00 0.00 N ATOM 525 CA PRO A 34 -5.582 -5.436 4.317 1.00 0.00 C ATOM 526 C PRO A 34 -5.710 -6.926 4.027 1.00 0.00 C ATOM 527 O PRO A 34 -6.808 -7.430 3.786 1.00 0.00 O ATOM 528 CB PRO A 34 -6.200 -5.104 5.679 1.00 0.00 C ATOM 529 CG PRO A 34 -7.581 -4.639 5.369 1.00 0.00 C ATOM 530 CD PRO A 34 -7.491 -3.945 4.040 1.00 0.00 C ATOM 0 HA PRO A 34 -4.517 -5.212 4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.214 -5.978 6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.629 -4.332 6.194 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -8.275 -5.478 5.326 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.948 -3.961 6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -8.416 -4.041 3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.297 -2.879 4.155 1.00 0.00 H new ATOM 538 N GLY A 35 -4.591 -7.628 4.042 1.00 0.00 N ATOM 539 CA GLY A 35 -4.609 -9.051 3.789 1.00 0.00 C ATOM 540 C GLY A 35 -4.045 -9.400 2.431 1.00 0.00 C ATOM 541 O GLY A 35 -3.640 -10.537 2.193 1.00 0.00 O ATOM 0 H GLY A 35 -3.667 -7.237 4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.034 -9.562 4.561 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.633 -9.417 3.860 1.00 0.00 H new ATOM 545 N ALA A 36 -4.004 -8.420 1.539 1.00 0.00 N ATOM 546 CA ALA A 36 -3.508 -8.639 0.203 1.00 0.00 C ATOM 547 C ALA A 36 -1.993 -8.543 0.174 1.00 0.00 C ATOM 548 O ALA A 36 -1.337 -8.446 1.213 1.00 0.00 O ATOM 549 CB ALA A 36 -4.128 -7.632 -0.757 1.00 0.00 C ATOM 0 H ALA A 36 -4.311 -7.465 1.725 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.791 -9.643 -0.115 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.747 -7.806 -1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.212 -7.747 -0.755 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.870 -6.621 -0.441 1.00 0.00 H new ATOM 555 N ALA A 37 -1.454 -8.552 -1.024 1.00 0.00 N ATOM 556 CA ALA A 37 -0.015 -8.529 -1.233 1.00 0.00 C ATOM 557 C ALA A 37 0.319 -7.792 -2.520 1.00 0.00 C ATOM 558 O ALA A 37 -0.336 -7.989 -3.545 1.00 0.00 O ATOM 559 CB ALA A 37 0.543 -9.943 -1.278 1.00 0.00 C ATOM 0 H ALA A 37 -1.998 -8.576 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 37 0.445 -8.003 -0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.621 -9.904 -1.435 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.332 -10.448 -0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.077 -10.492 -2.096 1.00 0.00 H new ATOM 565 N LEU A 38 1.324 -6.939 -2.461 1.00 0.00 N ATOM 566 CA LEU A 38 1.745 -6.170 -3.617 1.00 0.00 C ATOM 567 C LEU A 38 3.083 -6.673 -4.133 1.00 0.00 C ATOM 568 O LEU A 38 4.028 -6.872 -3.367 1.00 0.00 O ATOM 569 CB LEU A 38 1.864 -4.691 -3.263 1.00 0.00 C ATOM 570 CG LEU A 38 0.622 -4.063 -2.618 1.00 0.00 C ATOM 571 CD1 LEU A 38 0.911 -2.635 -2.173 1.00 0.00 C ATOM 572 CD2 LEU A 38 -0.554 -4.088 -3.588 1.00 0.00 C ATOM 0 H LEU A 38 1.868 -6.760 -1.617 1.00 0.00 H new ATOM 0 HA LEU A 38 0.991 -6.292 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.707 -4.565 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.100 -4.136 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 38 0.360 -4.651 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.017 -2.208 -1.718 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.723 -2.638 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.200 -2.036 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.426 -3.639 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.298 -3.524 -4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.780 -5.119 -3.860 1.00 0.00 H new ATOM 584 N ARG A 39 3.143 -6.881 -5.426 1.00 0.00 N ATOM 585 CA ARG A 39 4.367 -7.270 -6.096 1.00 0.00 C ATOM 586 C ARG A 39 4.959 -6.047 -6.789 1.00 0.00 C ATOM 587 O ARG A 39 4.281 -5.391 -7.583 1.00 0.00 O ATOM 588 CB ARG A 39 4.070 -8.407 -7.091 1.00 0.00 C ATOM 589 CG ARG A 39 4.863 -8.347 -8.388 1.00 0.00 C ATOM 590 CD ARG A 39 4.510 -9.503 -9.320 1.00 0.00 C ATOM 591 NE ARG A 39 3.061 -9.734 -9.415 1.00 0.00 N ATOM 592 CZ ARG A 39 2.255 -9.168 -10.316 1.00 0.00 C ATOM 593 NH1 ARG A 39 2.734 -8.299 -11.203 1.00 0.00 N ATOM 594 NH2 ARG A 39 0.963 -9.475 -10.322 1.00 0.00 N ATOM 0 H ARG A 39 2.341 -6.785 -6.049 1.00 0.00 H new ATOM 0 HA ARG A 39 5.098 -7.643 -5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.272 -9.360 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.007 -8.391 -7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.666 -7.401 -8.891 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.929 -8.373 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.907 -9.297 -10.314 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.996 -10.412 -8.965 1.00 0.00 H new ATOM 0 HE ARG A 39 2.640 -10.375 -8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.726 -8.060 -11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.110 -7.872 -11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.593 -10.139 -9.641 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.340 -9.047 -11.007 1.00 0.00 H new ATOM 608 N VAL A 40 6.202 -5.719 -6.461 1.00 0.00 N ATOM 609 CA VAL A 40 6.823 -4.514 -6.987 1.00 0.00 C ATOM 610 C VAL A 40 7.093 -4.635 -8.482 1.00 0.00 C ATOM 611 O VAL A 40 7.673 -5.614 -8.952 1.00 0.00 O ATOM 612 CB VAL A 40 8.128 -4.150 -6.230 1.00 0.00 C ATOM 613 CG1 VAL A 40 9.225 -5.174 -6.471 1.00 0.00 C ATOM 614 CG2 VAL A 40 8.603 -2.758 -6.616 1.00 0.00 C ATOM 0 H VAL A 40 6.795 -6.267 -5.838 1.00 0.00 H new ATOM 0 HA VAL A 40 6.112 -3.703 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 40 7.899 -4.158 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.121 -4.883 -5.924 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.891 -6.153 -6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.450 -5.222 -7.536 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.519 -2.523 -6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.797 -2.724 -7.688 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.834 -2.028 -6.363 1.00 0.00 H new ATOM 624 N VAL A 41 6.615 -3.654 -9.222 1.00 0.00 N ATOM 625 CA VAL A 41 6.887 -3.559 -10.642 1.00 0.00 C ATOM 626 C VAL A 41 8.176 -2.779 -10.873 1.00 0.00 C ATOM 627 O VAL A 41 9.067 -3.250 -11.579 1.00 0.00 O ATOM 628 CB VAL A 41 5.727 -2.875 -11.397 1.00 0.00 C ATOM 629 CG1 VAL A 41 6.027 -2.793 -12.888 1.00 0.00 C ATOM 630 CG2 VAL A 41 4.417 -3.616 -11.159 1.00 0.00 C ATOM 0 H VAL A 41 6.029 -2.903 -8.857 1.00 0.00 H new ATOM 0 HA VAL A 41 6.993 -4.572 -11.029 1.00 0.00 H new ATOM 0 HB VAL A 41 5.624 -1.861 -11.011 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.196 -2.308 -13.400 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.938 -2.215 -13.045 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.162 -3.798 -13.288 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.613 -3.117 -11.700 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.510 -4.643 -11.513 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.189 -3.619 -10.093 1.00 0.00 H new ATOM 640 N ARG A 42 8.280 -1.598 -10.255 1.00 0.00 N ATOM 641 CA ARG A 42 9.460 -0.748 -10.427 1.00 0.00 C ATOM 642 C ARG A 42 9.408 0.493 -9.535 1.00 0.00 C ATOM 643 O ARG A 42 8.344 1.064 -9.299 1.00 0.00 O ATOM 644 CB ARG A 42 9.602 -0.319 -11.896 1.00 0.00 C ATOM 645 CG ARG A 42 10.693 0.714 -12.132 1.00 0.00 C ATOM 646 CD ARG A 42 10.813 1.086 -13.601 1.00 0.00 C ATOM 647 NE ARG A 42 11.432 0.020 -14.388 1.00 0.00 N ATOM 648 CZ ARG A 42 11.237 -0.157 -15.694 1.00 0.00 C ATOM 649 NH1 ARG A 42 10.394 0.622 -16.359 1.00 0.00 N ATOM 650 NH2 ARG A 42 11.881 -1.120 -16.337 1.00 0.00 N ATOM 0 H ARG A 42 7.567 -1.212 -9.636 1.00 0.00 H new ATOM 0 HA ARG A 42 10.326 -1.340 -10.131 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.811 -1.200 -12.503 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.650 0.086 -12.240 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.479 1.609 -11.547 1.00 0.00 H new ATOM 0 HG3 ARG A 42 11.647 0.322 -11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.823 1.304 -14.002 1.00 0.00 H new ATOM 0 HD3 ARG A 42 11.404 1.997 -13.697 1.00 0.00 H new ATOM 0 HE ARG A 42 12.053 -0.630 -13.906 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.890 1.362 -15.871 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.250 0.481 -17.359 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.527 -1.727 -15.832 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.731 -1.254 -17.337 1.00 0.00 H new ATOM 664 N ILE A 43 10.569 0.881 -9.023 1.00 0.00 N ATOM 665 CA ILE A 43 10.737 2.167 -8.357 1.00 0.00 C ATOM 666 C ILE A 43 11.406 3.128 -9.345 1.00 0.00 C ATOM 667 O ILE A 43 12.288 2.718 -10.099 1.00 0.00 O ATOM 668 CB ILE A 43 11.623 2.041 -7.093 1.00 0.00 C ATOM 669 CG1 ILE A 43 10.946 1.126 -6.065 1.00 0.00 C ATOM 670 CG2 ILE A 43 11.916 3.416 -6.487 1.00 0.00 C ATOM 671 CD1 ILE A 43 11.815 0.806 -4.868 1.00 0.00 C ATOM 0 H ILE A 43 11.418 0.316 -9.057 1.00 0.00 H new ATOM 0 HA ILE A 43 9.760 2.535 -8.045 1.00 0.00 H new ATOM 0 HB ILE A 43 12.576 1.597 -7.383 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.027 1.600 -5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 43 10.660 0.195 -6.554 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.540 3.298 -5.601 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.438 4.032 -7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.979 3.898 -6.209 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.269 0.155 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.722 0.303 -5.201 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.081 1.730 -4.354 1.00 0.00 H new ATOM 683 N ALA A 44 10.988 4.384 -9.364 1.00 0.00 N ATOM 684 CA ALA A 44 11.557 5.352 -10.298 1.00 0.00 C ATOM 685 C ALA A 44 12.866 5.929 -9.762 1.00 0.00 C ATOM 686 O ALA A 44 13.029 6.088 -8.550 1.00 0.00 O ATOM 687 CB ALA A 44 10.569 6.470 -10.582 1.00 0.00 C ATOM 0 H ALA A 44 10.264 4.758 -8.751 1.00 0.00 H new ATOM 0 HA ALA A 44 11.770 4.829 -11.230 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.013 7.180 -11.280 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.662 6.052 -11.018 1.00 0.00 H new ATOM 0 HB3 ALA A 44 10.322 6.982 -9.652 1.00 0.00 H new ATOM 693 N PRO A 45 13.805 6.268 -10.665 1.00 0.00 N ATOM 694 CA PRO A 45 15.116 6.833 -10.295 1.00 0.00 C ATOM 695 C PRO A 45 15.011 8.231 -9.685 1.00 0.00 C ATOM 696 O PRO A 45 16.018 8.827 -9.302 1.00 0.00 O ATOM 697 CB PRO A 45 15.873 6.889 -11.624 1.00 0.00 C ATOM 698 CG PRO A 45 14.812 6.921 -12.667 1.00 0.00 C ATOM 699 CD PRO A 45 13.673 6.109 -12.124 1.00 0.00 C ATOM 0 HA PRO A 45 15.607 6.231 -9.531 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.509 7.773 -11.680 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.521 6.021 -11.746 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.498 7.944 -12.873 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.175 6.504 -13.606 1.00 0.00 H new ATOM 0 HD2 PRO A 45 12.711 6.476 -12.483 1.00 0.00 H new ATOM 0 HD3 PRO A 45 13.747 5.063 -12.423 1.00 0.00 H new ATOM 707 N LEU A 46 13.786 8.747 -9.615 1.00 0.00 N ATOM 708 CA LEU A 46 13.504 10.024 -8.962 1.00 0.00 C ATOM 709 C LEU A 46 13.991 9.975 -7.523 1.00 0.00 C ATOM 710 O LEU A 46 14.537 10.934 -6.985 1.00 0.00 O ATOM 711 CB LEU A 46 11.988 10.272 -8.959 1.00 0.00 C ATOM 712 CG LEU A 46 11.532 11.737 -8.902 1.00 0.00 C ATOM 713 CD1 LEU A 46 11.711 12.321 -7.511 1.00 0.00 C ATOM 714 CD2 LEU A 46 12.282 12.566 -9.927 1.00 0.00 C ATOM 0 H LEU A 46 12.962 8.293 -10.009 1.00 0.00 H new ATOM 0 HA LEU A 46 14.013 10.823 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.567 9.819 -9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.559 9.748 -8.105 1.00 0.00 H new ATOM 0 HG LEU A 46 10.468 11.764 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.378 13.359 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.120 11.748 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.763 12.276 -7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.947 13.602 -9.873 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.351 12.520 -9.721 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.088 12.173 -10.925 1.00 0.00 H new ATOM 726 N GLY A 47 13.784 8.822 -6.935 1.00 0.00 N ATOM 727 CA GLY A 47 13.994 8.629 -5.530 1.00 0.00 C ATOM 728 C GLY A 47 13.103 7.525 -5.071 1.00 0.00 C ATOM 729 O GLY A 47 13.580 6.532 -4.523 1.00 0.00 O ATOM 0 H GLY A 47 13.463 7.988 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.037 8.382 -5.332 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.774 9.546 -4.984 1.00 0.00 H new ATOM 733 N ASP A 48 11.804 7.703 -5.351 1.00 0.00 N ATOM 734 CA ASP A 48 10.820 6.645 -5.212 1.00 0.00 C ATOM 735 C ASP A 48 9.391 7.142 -5.333 1.00 0.00 C ATOM 736 O ASP A 48 8.943 8.023 -4.594 1.00 0.00 O ATOM 737 CB ASP A 48 10.959 5.999 -3.839 1.00 0.00 C ATOM 738 CG ASP A 48 9.966 4.881 -3.594 1.00 0.00 C ATOM 739 OD1 ASP A 48 8.835 5.174 -3.155 1.00 0.00 O ATOM 740 OD2 ASP A 48 10.326 3.703 -3.792 1.00 0.00 O ATOM 0 H ASP A 48 11.416 8.588 -5.679 1.00 0.00 H new ATOM 0 HA ASP A 48 11.012 5.940 -6.021 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.970 5.606 -3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.831 6.763 -3.072 1.00 0.00 H new ATOM 745 N PRO A 49 8.693 6.594 -6.321 1.00 0.00 N ATOM 746 CA PRO A 49 7.333 6.151 -6.228 1.00 0.00 C ATOM 747 C PRO A 49 7.326 4.631 -6.288 1.00 0.00 C ATOM 748 O PRO A 49 8.307 4.011 -6.713 1.00 0.00 O ATOM 749 CB PRO A 49 6.702 6.725 -7.493 1.00 0.00 C ATOM 750 CG PRO A 49 7.858 6.995 -8.423 1.00 0.00 C ATOM 751 CD PRO A 49 9.113 6.542 -7.707 1.00 0.00 C ATOM 0 HA PRO A 49 6.816 6.457 -5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.997 6.022 -7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.148 7.639 -7.277 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.733 6.455 -9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.916 8.055 -8.670 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.416 5.538 -8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.958 7.202 -7.904 1.00 0.00 H new ATOM 759 N ILE A 50 6.249 4.017 -5.897 1.00 0.00 N ATOM 760 CA ILE A 50 6.221 2.571 -5.891 1.00 0.00 C ATOM 761 C ILE A 50 5.193 2.052 -6.875 1.00 0.00 C ATOM 762 O ILE A 50 3.990 2.118 -6.621 1.00 0.00 O ATOM 763 CB ILE A 50 5.922 2.005 -4.486 1.00 0.00 C ATOM 764 CG1 ILE A 50 6.815 2.663 -3.432 1.00 0.00 C ATOM 765 CG2 ILE A 50 6.128 0.498 -4.472 1.00 0.00 C ATOM 766 CD1 ILE A 50 6.511 2.217 -2.017 1.00 0.00 C ATOM 0 H ILE A 50 5.393 4.475 -5.583 1.00 0.00 H new ATOM 0 HA ILE A 50 7.213 2.233 -6.189 1.00 0.00 H new ATOM 0 HB ILE A 50 4.882 2.226 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.857 2.438 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.701 3.745 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.914 0.111 -3.476 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.457 0.032 -5.194 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.161 0.269 -4.736 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.182 2.724 -1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.479 2.466 -1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.653 1.139 -1.937 1.00 0.00 H new ATOM 778 N GLN A 51 5.671 1.565 -8.008 1.00 0.00 N ATOM 779 CA GLN A 51 4.814 0.923 -8.972 1.00 0.00 C ATOM 780 C GLN A 51 4.648 -0.532 -8.577 1.00 0.00 C ATOM 781 O GLN A 51 5.612 -1.289 -8.583 1.00 0.00 O ATOM 782 CB GLN A 51 5.414 1.034 -10.373 1.00 0.00 C ATOM 783 CG GLN A 51 5.512 2.463 -10.888 1.00 0.00 C ATOM 784 CD GLN A 51 6.203 2.554 -12.236 1.00 0.00 C ATOM 785 OE1 GLN A 51 7.081 1.754 -12.555 1.00 0.00 O ATOM 786 NE2 GLN A 51 5.806 3.526 -13.042 1.00 0.00 N ATOM 0 H GLN A 51 6.654 1.606 -8.277 1.00 0.00 H new ATOM 0 HA GLN A 51 3.840 1.412 -8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.410 0.591 -10.368 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.808 0.449 -11.065 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.510 2.885 -10.969 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.056 3.069 -10.164 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.075 4.170 -12.742 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.232 3.631 -13.963 1.00 0.00 H new ATOM 795 N VAL A 52 3.443 -0.913 -8.193 1.00 0.00 N ATOM 796 CA VAL A 52 3.182 -2.274 -7.738 1.00 0.00 C ATOM 797 C VAL A 52 1.938 -2.849 -8.390 1.00 0.00 C ATOM 798 O VAL A 52 1.142 -2.122 -8.982 1.00 0.00 O ATOM 799 CB VAL A 52 3.002 -2.353 -6.207 1.00 0.00 C ATOM 800 CG1 VAL A 52 4.314 -2.112 -5.489 1.00 0.00 C ATOM 801 CG2 VAL A 52 1.945 -1.365 -5.736 1.00 0.00 C ATOM 0 H VAL A 52 2.627 -0.301 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 52 4.057 -2.855 -8.027 1.00 0.00 H new ATOM 0 HB VAL A 52 2.665 -3.360 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 52 4.156 -2.174 -4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 52 5.039 -2.867 -5.793 1.00 0.00 H new ATOM 0 HG13 VAL A 52 4.692 -1.122 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.835 -1.438 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 52 2.249 -0.353 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.993 -1.595 -6.214 1.00 0.00 H new ATOM 811 N GLU A 53 1.785 -4.155 -8.274 1.00 0.00 N ATOM 812 CA GLU A 53 0.612 -4.847 -8.766 1.00 0.00 C ATOM 813 C GLU A 53 0.330 -6.028 -7.853 1.00 0.00 C ATOM 814 O GLU A 53 1.259 -6.685 -7.394 1.00 0.00 O ATOM 815 CB GLU A 53 0.845 -5.349 -10.191 1.00 0.00 C ATOM 816 CG GLU A 53 -0.393 -5.949 -10.833 1.00 0.00 C ATOM 817 CD GLU A 53 -0.058 -6.972 -11.892 1.00 0.00 C ATOM 818 OE1 GLU A 53 0.877 -6.740 -12.681 1.00 0.00 O ATOM 819 OE2 GLU A 53 -0.716 -8.030 -11.918 1.00 0.00 O ATOM 0 H GLU A 53 2.473 -4.766 -7.834 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.236 -4.162 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.198 -4.521 -10.806 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.637 -6.098 -10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.007 -6.416 -10.063 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.990 -5.153 -11.278 1.00 0.00 H new ATOM 826 N THR A 54 -0.932 -6.297 -7.576 1.00 0.00 N ATOM 827 CA THR A 54 -1.271 -7.455 -6.768 1.00 0.00 C ATOM 828 C THR A 54 -1.624 -8.632 -7.677 1.00 0.00 C ATOM 829 O THR A 54 -1.114 -9.738 -7.500 1.00 0.00 O ATOM 830 CB THR A 54 -2.412 -7.149 -5.761 1.00 0.00 C ATOM 831 OG1 THR A 54 -2.661 -8.295 -4.942 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.700 -6.725 -6.459 1.00 0.00 C ATOM 0 H THR A 54 -1.727 -5.741 -7.891 1.00 0.00 H new ATOM 0 HA THR A 54 -0.399 -7.722 -6.170 1.00 0.00 H new ATOM 0 HB THR A 54 -2.083 -6.314 -5.142 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.920 -8.414 -4.311 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.468 -6.522 -5.713 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.517 -5.825 -7.045 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.037 -7.525 -7.118 1.00 0.00 H new ATOM 840 N ARG A 55 -2.475 -8.362 -8.665 1.00 0.00 N ATOM 841 CA ARG A 55 -2.850 -9.333 -9.697 1.00 0.00 C ATOM 842 C ARG A 55 -3.892 -8.714 -10.627 1.00 0.00 C ATOM 843 O ARG A 55 -4.644 -9.419 -11.301 1.00 0.00 O ATOM 844 CB ARG A 55 -3.404 -10.622 -9.073 1.00 0.00 C ATOM 845 CG ARG A 55 -4.607 -10.412 -8.166 1.00 0.00 C ATOM 846 CD ARG A 55 -4.983 -11.702 -7.459 1.00 0.00 C ATOM 847 NE ARG A 55 -6.124 -11.531 -6.562 1.00 0.00 N ATOM 848 CZ ARG A 55 -6.081 -11.767 -5.250 1.00 0.00 C ATOM 849 NH1 ARG A 55 -4.932 -12.114 -4.672 1.00 0.00 N ATOM 850 NH2 ARG A 55 -7.185 -11.661 -4.520 1.00 0.00 N ATOM 0 H ARG A 55 -2.929 -7.455 -8.775 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.957 -9.592 -10.266 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.682 -11.308 -9.873 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.612 -11.104 -8.500 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.382 -9.641 -7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -5.453 -10.055 -8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -5.218 -12.465 -8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -4.127 -12.064 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.006 -11.212 -6.963 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.084 -12.199 -5.233 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.900 -12.294 -3.669 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.066 -11.399 -4.963 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.152 -11.841 -3.517 1.00 0.00 H new ATOM 864 N GLN A 56 -3.898 -7.387 -10.686 1.00 0.00 N ATOM 865 CA GLN A 56 -4.936 -6.652 -11.392 1.00 0.00 C ATOM 866 C GLN A 56 -4.307 -5.679 -12.382 1.00 0.00 C ATOM 867 O GLN A 56 -4.446 -5.828 -13.595 1.00 0.00 O ATOM 868 CB GLN A 56 -5.808 -5.891 -10.383 1.00 0.00 C ATOM 869 CG GLN A 56 -7.027 -5.217 -10.991 1.00 0.00 C ATOM 870 CD GLN A 56 -8.034 -6.212 -11.526 1.00 0.00 C ATOM 871 OE1 GLN A 56 -7.976 -6.608 -12.688 1.00 0.00 O ATOM 872 NE2 GLN A 56 -8.959 -6.625 -10.677 1.00 0.00 N ATOM 0 H GLN A 56 -3.190 -6.797 -10.250 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.560 -7.355 -11.943 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.139 -6.585 -9.611 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.197 -5.134 -9.891 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.505 -4.591 -10.238 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.709 -4.558 -11.798 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.969 -6.269 -9.721 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.663 -7.299 -10.978 1.00 0.00 H new ATOM 881 N THR A 57 -3.599 -4.689 -11.854 1.00 0.00 N ATOM 882 CA THR A 57 -2.964 -3.676 -12.681 1.00 0.00 C ATOM 883 C THR A 57 -1.924 -2.910 -11.865 1.00 0.00 C ATOM 884 O THR A 57 -2.014 -2.843 -10.635 1.00 0.00 O ATOM 885 CB THR A 57 -4.010 -2.695 -13.266 1.00 0.00 C ATOM 886 OG1 THR A 57 -3.387 -1.768 -14.167 1.00 0.00 O ATOM 887 CG2 THR A 57 -4.720 -1.922 -12.160 1.00 0.00 C ATOM 0 H THR A 57 -3.451 -4.567 -10.852 1.00 0.00 H new ATOM 0 HA THR A 57 -2.469 -4.178 -13.512 1.00 0.00 H new ATOM 0 HB THR A 57 -4.746 -3.289 -13.809 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.064 -1.158 -14.528 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.448 -1.242 -12.601 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.231 -2.621 -11.498 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.989 -1.350 -11.589 1.00 0.00 H new ATOM 895 N SER A 58 -0.927 -2.368 -12.544 1.00 0.00 N ATOM 896 CA SER A 58 0.133 -1.625 -11.885 1.00 0.00 C ATOM 897 C SER A 58 -0.372 -0.275 -11.381 1.00 0.00 C ATOM 898 O SER A 58 -1.183 0.387 -12.034 1.00 0.00 O ATOM 899 CB SER A 58 1.298 -1.425 -12.851 1.00 0.00 C ATOM 900 OG SER A 58 1.651 -2.650 -13.480 1.00 0.00 O ATOM 0 H SER A 58 -0.830 -2.430 -13.557 1.00 0.00 H new ATOM 0 HA SER A 58 0.472 -2.199 -11.023 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.026 -0.688 -13.607 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.158 -1.027 -12.313 1.00 0.00 H new ATOM 0 HG SER A 58 2.398 -2.498 -14.096 1.00 0.00 H new ATOM 906 N LEU A 59 0.102 0.110 -10.209 1.00 0.00 N ATOM 907 CA LEU A 59 -0.248 1.387 -9.605 1.00 0.00 C ATOM 908 C LEU A 59 0.977 2.006 -8.948 1.00 0.00 C ATOM 909 O LEU A 59 1.819 1.292 -8.410 1.00 0.00 O ATOM 910 CB LEU A 59 -1.362 1.196 -8.568 1.00 0.00 C ATOM 911 CG LEU A 59 -1.777 2.459 -7.803 1.00 0.00 C ATOM 912 CD1 LEU A 59 -2.373 3.493 -8.747 1.00 0.00 C ATOM 913 CD2 LEU A 59 -2.768 2.108 -6.702 1.00 0.00 C ATOM 0 H LEU A 59 0.741 -0.453 -9.648 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.608 2.058 -10.385 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.240 0.794 -9.074 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.038 0.446 -7.847 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.886 2.891 -7.346 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.660 4.380 -8.181 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.634 3.766 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.253 3.075 -9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.054 3.014 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.654 1.652 -7.142 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.306 1.407 -6.007 1.00 0.00 H new ATOM 925 N ALA A 60 1.077 3.326 -9.005 1.00 0.00 N ATOM 926 CA ALA A 60 2.197 4.039 -8.406 1.00 0.00 C ATOM 927 C ALA A 60 1.729 4.875 -7.224 1.00 0.00 C ATOM 928 O ALA A 60 0.651 5.472 -7.265 1.00 0.00 O ATOM 929 CB ALA A 60 2.883 4.915 -9.443 1.00 0.00 C ATOM 0 H ALA A 60 0.392 3.928 -9.462 1.00 0.00 H new ATOM 0 HA ALA A 60 2.917 3.307 -8.042 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.718 5.441 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.253 4.292 -10.257 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.170 5.640 -9.836 1.00 0.00 H new ATOM 935 N LEU A 61 2.540 4.918 -6.178 1.00 0.00 N ATOM 936 CA LEU A 61 2.202 5.666 -4.981 1.00 0.00 C ATOM 937 C LEU A 61 3.454 6.318 -4.423 1.00 0.00 C ATOM 938 O LEU A 61 4.565 5.921 -4.771 1.00 0.00 O ATOM 939 CB LEU A 61 1.538 4.745 -3.943 1.00 0.00 C ATOM 940 CG LEU A 61 2.327 3.492 -3.550 1.00 0.00 C ATOM 941 CD1 LEU A 61 3.269 3.779 -2.390 1.00 0.00 C ATOM 942 CD2 LEU A 61 1.381 2.349 -3.203 1.00 0.00 C ATOM 0 H LEU A 61 3.440 4.441 -6.136 1.00 0.00 H new ATOM 0 HA LEU A 61 1.486 6.449 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.347 5.327 -3.041 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.569 4.432 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 61 2.931 3.193 -4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.816 2.872 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.974 4.558 -2.678 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.693 4.112 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.961 1.468 -2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.746 2.643 -2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.758 2.117 -4.067 1.00 0.00 H new ATOM 954 N ARG A 62 3.281 7.321 -3.580 1.00 0.00 N ATOM 955 CA ARG A 62 4.413 8.051 -3.036 1.00 0.00 C ATOM 956 C ARG A 62 4.773 7.504 -1.664 1.00 0.00 C ATOM 957 O ARG A 62 4.071 6.654 -1.116 1.00 0.00 O ATOM 958 CB ARG A 62 4.115 9.555 -2.915 1.00 0.00 C ATOM 959 CG ARG A 62 3.776 10.257 -4.224 1.00 0.00 C ATOM 960 CD ARG A 62 2.434 9.797 -4.762 1.00 0.00 C ATOM 961 NE ARG A 62 1.834 10.720 -5.713 1.00 0.00 N ATOM 962 CZ ARG A 62 0.517 10.856 -5.857 1.00 0.00 C ATOM 963 NH1 ARG A 62 -0.308 10.181 -5.060 1.00 0.00 N ATOM 964 NH2 ARG A 62 0.027 11.661 -6.792 1.00 0.00 N ATOM 0 H ARG A 62 2.370 7.648 -3.258 1.00 0.00 H new ATOM 0 HA ARG A 62 5.248 7.920 -3.724 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.284 9.690 -2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.981 10.046 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.757 11.335 -4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.554 10.055 -4.960 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.559 8.826 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.748 9.654 -3.927 1.00 0.00 H new ATOM 0 HE ARG A 62 2.449 11.288 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.069 9.562 -4.342 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.317 10.282 -5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.660 12.178 -7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.982 11.763 -6.900 1.00 0.00 H new ATOM 978 N ARG A 63 5.847 8.018 -1.098 1.00 0.00 N ATOM 979 CA ARG A 63 6.265 7.624 0.242 1.00 0.00 C ATOM 980 C ARG A 63 5.243 8.079 1.275 1.00 0.00 C ATOM 981 O ARG A 63 5.022 7.410 2.283 1.00 0.00 O ATOM 982 CB ARG A 63 7.649 8.184 0.561 1.00 0.00 C ATOM 983 CG ARG A 63 8.765 7.417 -0.119 1.00 0.00 C ATOM 984 CD ARG A 63 8.925 6.030 0.486 1.00 0.00 C ATOM 985 NE ARG A 63 9.138 5.005 -0.532 1.00 0.00 N ATOM 986 CZ ARG A 63 9.534 3.758 -0.276 1.00 0.00 C ATOM 987 NH1 ARG A 63 9.824 3.378 0.961 1.00 0.00 N ATOM 988 NH2 ARG A 63 9.640 2.888 -1.267 1.00 0.00 N ATOM 0 H ARG A 63 6.450 8.711 -1.542 1.00 0.00 H new ATOM 0 HA ARG A 63 6.325 6.536 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.693 9.229 0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.805 8.163 1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.554 7.330 -1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.700 7.969 -0.024 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.767 6.032 1.178 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.036 5.784 1.066 1.00 0.00 H new ATOM 0 HE ARG A 63 8.972 5.261 -1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.745 4.043 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.126 2.421 1.143 1.00 0.00 H new ATOM 0 HH21 ARG A 63 9.419 3.173 -2.221 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.943 1.933 -1.077 1.00 0.00 H new ATOM 1002 N LYS A 64 4.620 9.221 1.015 1.00 0.00 N ATOM 1003 CA LYS A 64 3.578 9.736 1.890 1.00 0.00 C ATOM 1004 C LYS A 64 2.348 8.829 1.856 1.00 0.00 C ATOM 1005 O LYS A 64 1.685 8.638 2.874 1.00 0.00 O ATOM 1006 CB LYS A 64 3.200 11.166 1.495 1.00 0.00 C ATOM 1007 CG LYS A 64 4.376 12.136 1.513 1.00 0.00 C ATOM 1008 CD LYS A 64 5.086 12.156 2.862 1.00 0.00 C ATOM 1009 CE LYS A 64 4.236 12.781 3.959 1.00 0.00 C ATOM 1010 NZ LYS A 64 3.969 14.224 3.715 1.00 0.00 N ATOM 0 H LYS A 64 4.819 9.808 0.205 1.00 0.00 H new ATOM 0 HA LYS A 64 3.965 9.751 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.765 11.155 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.429 11.530 2.175 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.086 11.857 0.735 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.021 13.139 1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.348 11.137 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.019 12.711 2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.289 12.246 4.031 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.741 12.665 4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.583 14.657 4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.855 14.702 3.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.282 14.324 2.941 1.00 0.00 H new ATOM 1024 N ASP A 65 2.057 8.255 0.688 1.00 0.00 N ATOM 1025 CA ASP A 65 0.971 7.289 0.561 1.00 0.00 C ATOM 1026 C ASP A 65 1.337 6.017 1.311 1.00 0.00 C ATOM 1027 O ASP A 65 0.517 5.429 2.015 1.00 0.00 O ATOM 1028 CB ASP A 65 0.705 6.940 -0.905 1.00 0.00 C ATOM 1029 CG ASP A 65 0.222 8.111 -1.730 1.00 0.00 C ATOM 1030 OD1 ASP A 65 -0.910 8.578 -1.506 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.970 8.548 -2.629 1.00 0.00 O ATOM 0 H ASP A 65 2.558 8.443 -0.180 1.00 0.00 H new ATOM 0 HA ASP A 65 0.070 7.736 0.981 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.621 6.548 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.038 6.144 -0.951 1.00 0.00 H new ATOM 1036 N LEU A 66 2.591 5.608 1.152 1.00 0.00 N ATOM 1037 CA LEU A 66 3.117 4.422 1.816 1.00 0.00 C ATOM 1038 C LEU A 66 3.032 4.565 3.330 1.00 0.00 C ATOM 1039 O LEU A 66 2.843 3.587 4.050 1.00 0.00 O ATOM 1040 CB LEU A 66 4.571 4.189 1.404 1.00 0.00 C ATOM 1041 CG LEU A 66 5.200 2.917 1.968 1.00 0.00 C ATOM 1042 CD1 LEU A 66 4.527 1.688 1.383 1.00 0.00 C ATOM 1043 CD2 LEU A 66 6.692 2.892 1.696 1.00 0.00 C ATOM 0 H LEU A 66 3.269 6.088 0.561 1.00 0.00 H new ATOM 0 HA LEU A 66 2.513 3.567 1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.624 4.152 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.166 5.044 1.724 1.00 0.00 H new ATOM 0 HG LEU A 66 5.051 2.909 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.987 0.790 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.466 1.700 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.644 1.690 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.121 1.978 2.106 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.866 2.924 0.621 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.162 3.756 2.166 1.00 0.00 H new ATOM 1055 N ALA A 67 3.171 5.793 3.803 1.00 0.00 N ATOM 1056 CA ALA A 67 3.111 6.083 5.229 1.00 0.00 C ATOM 1057 C ALA A 67 1.721 5.810 5.796 1.00 0.00 C ATOM 1058 O ALA A 67 1.565 5.599 6.998 1.00 0.00 O ATOM 1059 CB ALA A 67 3.517 7.523 5.491 1.00 0.00 C ATOM 0 H ALA A 67 3.327 6.612 3.216 1.00 0.00 H new ATOM 0 HA ALA A 67 3.812 5.420 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.468 7.726 6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.536 7.684 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.840 8.194 4.963 1.00 0.00 H new ATOM 1065 N LEU A 68 0.716 5.801 4.928 1.00 0.00 N ATOM 1066 CA LEU A 68 -0.658 5.552 5.349 1.00 0.00 C ATOM 1067 C LEU A 68 -0.953 4.056 5.395 1.00 0.00 C ATOM 1068 O LEU A 68 -1.903 3.618 6.045 1.00 0.00 O ATOM 1069 CB LEU A 68 -1.638 6.244 4.398 1.00 0.00 C ATOM 1070 CG LEU A 68 -1.500 7.763 4.306 1.00 0.00 C ATOM 1071 CD1 LEU A 68 -2.451 8.315 3.258 1.00 0.00 C ATOM 1072 CD2 LEU A 68 -1.759 8.407 5.658 1.00 0.00 C ATOM 0 H LEU A 68 0.827 5.963 3.927 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.782 5.960 6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.508 5.823 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.654 6.007 4.715 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.479 8.001 4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.342 9.398 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.217 7.877 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.477 8.067 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.656 9.489 5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.769 8.164 5.989 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.038 8.031 6.384 1.00 0.00 H new ATOM 1084 N LEU A 69 -0.128 3.277 4.717 1.00 0.00 N ATOM 1085 CA LEU A 69 -0.326 1.840 4.645 1.00 0.00 C ATOM 1086 C LEU A 69 0.663 1.115 5.545 1.00 0.00 C ATOM 1087 O LEU A 69 1.815 1.522 5.674 1.00 0.00 O ATOM 1088 CB LEU A 69 -0.153 1.356 3.202 1.00 0.00 C ATOM 1089 CG LEU A 69 -1.126 1.959 2.183 1.00 0.00 C ATOM 1090 CD1 LEU A 69 -0.772 1.499 0.777 1.00 0.00 C ATOM 1091 CD2 LEU A 69 -2.562 1.575 2.521 1.00 0.00 C ATOM 0 H LEU A 69 0.688 3.617 4.207 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.338 1.619 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.865 1.579 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.262 0.272 3.185 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.041 3.045 2.226 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.472 1.935 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.241 1.820 0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.831 0.412 0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.238 2.012 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.662 0.490 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.814 1.948 3.514 1.00 0.00 H new ATOM 1103 N THR A 70 0.205 0.057 6.188 1.00 0.00 N ATOM 1104 CA THR A 70 1.090 -0.809 6.943 1.00 0.00 C ATOM 1105 C THR A 70 1.390 -2.061 6.132 1.00 0.00 C ATOM 1106 O THR A 70 0.491 -2.849 5.827 1.00 0.00 O ATOM 1107 CB THR A 70 0.478 -1.209 8.291 1.00 0.00 C ATOM 1108 OG1 THR A 70 -0.001 -0.046 8.981 1.00 0.00 O ATOM 1109 CG2 THR A 70 1.497 -1.931 9.160 1.00 0.00 C ATOM 0 H THR A 70 -0.776 -0.223 6.202 1.00 0.00 H new ATOM 0 HA THR A 70 2.010 -0.258 7.141 1.00 0.00 H new ATOM 0 HB THR A 70 -0.354 -1.885 8.095 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.391 -0.313 9.839 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.037 -2.203 10.110 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.837 -2.832 8.650 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.348 -1.275 9.344 1.00 0.00 H new ATOM 1117 N LEU A 71 2.646 -2.227 5.769 1.00 0.00 N ATOM 1118 CA LEU A 71 3.060 -3.342 4.933 1.00 0.00 C ATOM 1119 C LEU A 71 4.048 -4.242 5.663 1.00 0.00 C ATOM 1120 O LEU A 71 4.835 -3.777 6.492 1.00 0.00 O ATOM 1121 CB LEU A 71 3.706 -2.841 3.635 1.00 0.00 C ATOM 1122 CG LEU A 71 2.817 -1.983 2.737 1.00 0.00 C ATOM 1123 CD1 LEU A 71 3.553 -1.632 1.456 1.00 0.00 C ATOM 1124 CD2 LEU A 71 1.519 -2.702 2.421 1.00 0.00 C ATOM 0 H LEU A 71 3.404 -1.601 6.041 1.00 0.00 H new ATOM 0 HA LEU A 71 2.164 -3.915 4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.594 -2.264 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.042 -3.705 3.062 1.00 0.00 H new ATOM 0 HG LEU A 71 2.575 -1.062 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.910 -1.020 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.459 -1.077 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.819 -2.547 0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.901 -2.073 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.737 -3.639 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.985 -2.912 3.347 1.00 0.00 H new ATOM 1136 N VAL A 72 3.987 -5.526 5.351 1.00 0.00 N ATOM 1137 CA VAL A 72 4.963 -6.494 5.830 1.00 0.00 C ATOM 1138 C VAL A 72 5.516 -7.292 4.651 1.00 0.00 C ATOM 1139 O VAL A 72 4.780 -8.006 3.969 1.00 0.00 O ATOM 1140 CB VAL A 72 4.373 -7.460 6.889 1.00 0.00 C ATOM 1141 CG1 VAL A 72 4.226 -6.759 8.228 1.00 0.00 C ATOM 1142 CG2 VAL A 72 3.031 -8.021 6.440 1.00 0.00 C ATOM 0 H VAL A 72 3.260 -5.928 4.759 1.00 0.00 H new ATOM 0 HA VAL A 72 5.763 -5.936 6.315 1.00 0.00 H new ATOM 0 HB VAL A 72 5.068 -8.292 7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.810 -7.453 8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.203 -6.416 8.568 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.559 -5.904 8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.644 -8.695 7.205 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.327 -7.203 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.159 -8.568 5.506 1.00 0.00 H new ATOM 1152 N PRO A 73 6.816 -7.153 4.367 1.00 0.00 N ATOM 1153 CA PRO A 73 7.442 -7.833 3.232 1.00 0.00 C ATOM 1154 C PRO A 73 7.443 -9.349 3.394 1.00 0.00 C ATOM 1155 O PRO A 73 7.292 -9.867 4.501 1.00 0.00 O ATOM 1156 CB PRO A 73 8.885 -7.305 3.239 1.00 0.00 C ATOM 1157 CG PRO A 73 8.864 -6.093 4.110 1.00 0.00 C ATOM 1158 CD PRO A 73 7.772 -6.323 5.112 1.00 0.00 C ATOM 0 HA PRO A 73 6.905 -7.638 2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.575 -8.055 3.627 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.217 -7.058 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 73 9.825 -5.952 4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.673 -5.194 3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.141 -6.832 6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 73 7.323 -5.387 5.443 1.00 0.00 H new ATOM 1166 N LEU A 74 7.632 -10.055 2.291 1.00 0.00 N ATOM 1167 CA LEU A 74 7.731 -11.498 2.320 1.00 0.00 C ATOM 1168 C LEU A 74 9.192 -11.910 2.420 1.00 0.00 C ATOM 1169 O LEU A 74 9.514 -13.051 2.748 1.00 0.00 O ATOM 1170 CB LEU A 74 7.084 -12.081 1.065 1.00 0.00 C ATOM 1171 CG LEU A 74 5.581 -11.814 0.933 1.00 0.00 C ATOM 1172 CD1 LEU A 74 5.054 -12.363 -0.380 1.00 0.00 C ATOM 1173 CD2 LEU A 74 4.827 -12.422 2.105 1.00 0.00 C ATOM 0 H LEU A 74 7.720 -9.645 1.361 1.00 0.00 H new ATOM 0 HA LEU A 74 7.205 -11.886 3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.589 -11.673 0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.250 -13.158 1.055 1.00 0.00 H new ATOM 0 HG LEU A 74 5.422 -10.736 0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.985 -12.164 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.572 -11.882 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.226 -13.439 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.761 -12.223 1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 74 4.994 -13.499 2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.184 -11.981 3.036 1.00 0.00 H new ATOM 1185 N ASP A 75 10.068 -10.958 2.141 1.00 0.00 N ATOM 1186 CA ASP A 75 11.501 -11.162 2.255 1.00 0.00 C ATOM 1187 C ASP A 75 12.092 -10.095 3.158 1.00 0.00 C ATOM 1188 O ASP A 75 12.207 -8.939 2.712 1.00 0.00 O ATOM 1189 CB ASP A 75 12.172 -11.119 0.879 1.00 0.00 C ATOM 1190 CG ASP A 75 13.684 -11.178 0.968 1.00 0.00 C ATOM 1191 OD1 ASP A 75 14.229 -12.270 1.233 1.00 0.00 O ATOM 1192 OD2 ASP A 75 14.339 -10.138 0.762 1.00 0.00 O ATOM 1193 OXT ASP A 75 12.418 -10.407 4.319 1.00 0.00 O ATOM 0 H ASP A 75 9.805 -10.023 1.829 1.00 0.00 H new ATOM 0 HA ASP A 75 11.681 -12.147 2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.814 -11.955 0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.877 -10.205 0.363 1.00 0.00 H new