USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 551 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 31 THR OG1 : rot 155:sc= 0.802 USER MOD Set 1.2: A 45 HIS : no HE2:sc= -0.193 K(o=0.61,f=-3.9) USER MOD Single : A 7 THR OG1 : rot -47:sc= 1.14 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.441 X(o=-0.44,f=0) USER MOD Single : A 30 CYS SG : rot 180:sc= -2.19 USER MOD Single : A 41 LYS NZ :NH3+ 165:sc= -0.0203 (180deg=-0.31) USER MOD Single : A 43 GLN : amide:sc= -1.32 X(o=-1.3,f=-1.1) USER MOD Single : A 51 CYS SG : rot -50:sc= 0.0921! USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0086 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -115:sc= -0.648 (180deg=-2.32!) USER MOD Single : A 67 HIS : no HE2:sc= -0.0172 X(o=-0.017,f=-0.16) USER MOD Single : A 78 GLN : amide:sc= -6.51! C(o=-6.5!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 91 N THR A 7 2.142 -16.791 0.566 1.00 0.00 N ATOM 92 CA THR A 7 1.755 -16.129 -0.679 1.00 0.00 C ATOM 93 C THR A 7 1.640 -14.617 -0.483 1.00 0.00 C ATOM 94 O THR A 7 1.963 -14.092 0.583 1.00 0.00 O ATOM 95 CB THR A 7 0.427 -16.699 -1.203 1.00 0.00 C ATOM 96 OG1 THR A 7 -0.643 -16.277 -0.370 1.00 0.00 O ATOM 97 CG2 THR A 7 0.490 -18.228 -1.223 1.00 0.00 C ATOM 0 HA THR A 7 2.534 -16.320 -1.417 1.00 0.00 H new ATOM 0 HB THR A 7 0.259 -16.332 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.398 -16.411 0.570 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.454 -18.626 -1.595 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.302 -18.550 -1.875 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.667 -18.598 -0.213 1.00 0.00 H new ATOM 105 N MET A 8 1.191 -13.922 -1.526 1.00 0.00 N ATOM 106 CA MET A 8 1.047 -12.468 -1.475 1.00 0.00 C ATOM 107 C MET A 8 0.283 -12.030 -0.228 1.00 0.00 C ATOM 108 O MET A 8 0.803 -11.275 0.595 1.00 0.00 O ATOM 109 CB MET A 8 0.306 -11.971 -2.723 1.00 0.00 C ATOM 110 CG MET A 8 1.066 -12.397 -3.986 1.00 0.00 C ATOM 111 SD MET A 8 2.620 -11.473 -4.093 1.00 0.00 S ATOM 112 CE MET A 8 3.497 -12.603 -5.205 1.00 0.00 C ATOM 0 H MET A 8 0.921 -14.341 -2.416 1.00 0.00 H new ATOM 0 HA MET A 8 2.047 -12.035 -1.439 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.705 -12.377 -2.742 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.213 -10.885 -2.693 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.268 -13.468 -3.959 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.457 -12.210 -4.871 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.496 -12.215 -5.405 1.00 0.00 H new ATOM 0 HE2 MET A 8 3.576 -13.585 -4.738 1.00 0.00 H new ATOM 0 HE3 MET A 8 2.948 -12.690 -6.142 1.00 0.00 H new ATOM 122 N PHE A 9 -0.954 -12.507 -0.102 1.00 0.00 N ATOM 123 CA PHE A 9 -1.798 -12.163 1.041 1.00 0.00 C ATOM 124 C PHE A 9 -1.014 -12.239 2.351 1.00 0.00 C ATOM 125 O PHE A 9 -1.224 -11.436 3.261 1.00 0.00 O ATOM 126 CB PHE A 9 -3.001 -13.113 1.103 1.00 0.00 C ATOM 127 CG PHE A 9 -4.176 -12.401 1.731 1.00 0.00 C ATOM 128 CD1 PHE A 9 -4.913 -11.472 0.984 1.00 0.00 C ATOM 129 CD2 PHE A 9 -4.528 -12.667 3.059 1.00 0.00 C ATOM 130 CE1 PHE A 9 -5.999 -10.810 1.566 1.00 0.00 C ATOM 131 CE2 PHE A 9 -5.615 -12.002 3.641 1.00 0.00 C ATOM 132 CZ PHE A 9 -6.351 -11.075 2.894 1.00 0.00 C ATOM 0 H PHE A 9 -1.394 -13.133 -0.777 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.145 -11.138 0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.262 -13.452 0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.747 -14.000 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.642 -11.267 -0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.962 -13.384 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.566 -10.094 0.990 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.885 -12.205 4.667 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.190 -10.564 3.343 1.00 0.00 H new ATOM 142 N ASP A 10 -0.116 -13.211 2.437 1.00 0.00 N ATOM 143 CA ASP A 10 0.702 -13.396 3.632 1.00 0.00 C ATOM 144 C ASP A 10 1.627 -12.201 3.849 1.00 0.00 C ATOM 145 O ASP A 10 1.559 -11.524 4.875 1.00 0.00 O ATOM 146 CB ASP A 10 1.538 -14.676 3.507 1.00 0.00 C ATOM 147 CG ASP A 10 0.658 -15.845 3.060 1.00 0.00 C ATOM 148 OD1 ASP A 10 0.073 -15.751 1.996 1.00 0.00 O ATOM 149 OD2 ASP A 10 0.587 -16.820 3.787 1.00 0.00 O ATOM 0 H ASP A 10 0.066 -13.885 1.694 1.00 0.00 H new ATOM 0 HA ASP A 10 0.034 -13.481 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.344 -14.523 2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.004 -14.909 4.464 1.00 0.00 H new ATOM 154 N GLN A 11 2.501 -11.968 2.874 1.00 0.00 N ATOM 155 CA GLN A 11 3.471 -10.877 2.941 1.00 0.00 C ATOM 156 C GLN A 11 2.797 -9.527 3.115 1.00 0.00 C ATOM 157 O GLN A 11 3.111 -8.793 4.047 1.00 0.00 O ATOM 158 CB GLN A 11 4.300 -10.858 1.657 1.00 0.00 C ATOM 159 CG GLN A 11 5.769 -10.581 1.987 1.00 0.00 C ATOM 160 CD GLN A 11 6.603 -10.599 0.709 1.00 0.00 C ATOM 161 OE1 GLN A 11 7.718 -11.120 0.700 1.00 0.00 O ATOM 162 NE2 GLN A 11 6.124 -10.058 -0.378 1.00 0.00 N ATOM 0 H GLN A 11 2.558 -12.525 2.021 1.00 0.00 H new ATOM 0 HA GLN A 11 4.107 -11.051 3.809 1.00 0.00 H new ATOM 0 HB2 GLN A 11 4.209 -11.814 1.141 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.920 -10.093 0.980 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.864 -9.613 2.479 1.00 0.00 H new ATOM 0 HG3 GLN A 11 6.141 -11.331 2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.200 -9.627 -0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.674 -10.067 -1.237 1.00 0.00 H new ATOM 171 N VAL A 12 1.890 -9.191 2.211 1.00 0.00 N ATOM 172 CA VAL A 12 1.215 -7.909 2.288 1.00 0.00 C ATOM 173 C VAL A 12 0.634 -7.707 3.672 1.00 0.00 C ATOM 174 O VAL A 12 1.045 -6.809 4.398 1.00 0.00 O ATOM 175 CB VAL A 12 0.113 -7.831 1.230 1.00 0.00 C ATOM 176 CG1 VAL A 12 0.724 -8.097 -0.131 1.00 0.00 C ATOM 177 CG2 VAL A 12 -0.965 -8.885 1.489 1.00 0.00 C ATOM 0 H VAL A 12 1.609 -9.780 1.427 1.00 0.00 H new ATOM 0 HA VAL A 12 1.939 -7.117 2.096 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.340 -6.841 1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.052 -8.044 -0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.489 -7.349 -0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.175 -9.089 -0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.738 -8.810 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.518 -9.878 1.457 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.409 -8.718 2.471 1.00 0.00 H new ATOM 187 N ALA A 13 -0.310 -8.553 4.048 1.00 0.00 N ATOM 188 CA ALA A 13 -0.907 -8.435 5.353 1.00 0.00 C ATOM 189 C ALA A 13 0.187 -8.272 6.402 1.00 0.00 C ATOM 190 O ALA A 13 0.048 -7.495 7.348 1.00 0.00 O ATOM 191 CB ALA A 13 -1.769 -9.662 5.666 1.00 0.00 C ATOM 0 H ALA A 13 -0.670 -9.315 3.474 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.552 -7.556 5.369 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.211 -9.553 6.656 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.561 -9.749 4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.149 -10.558 5.642 1.00 0.00 H new ATOM 197 N GLU A 14 1.284 -9.009 6.210 1.00 0.00 N ATOM 198 CA GLU A 14 2.417 -8.942 7.128 1.00 0.00 C ATOM 199 C GLU A 14 3.048 -7.551 7.121 1.00 0.00 C ATOM 200 O GLU A 14 3.049 -6.862 8.140 1.00 0.00 O ATOM 201 CB GLU A 14 3.471 -9.994 6.755 1.00 0.00 C ATOM 202 CG GLU A 14 4.462 -10.170 7.913 1.00 0.00 C ATOM 203 CD GLU A 14 5.370 -8.946 8.026 1.00 0.00 C ATOM 204 OE1 GLU A 14 6.120 -8.701 7.096 1.00 0.00 O ATOM 205 OE2 GLU A 14 5.300 -8.271 9.041 1.00 0.00 O ATOM 0 H GLU A 14 1.409 -9.655 5.431 1.00 0.00 H new ATOM 0 HA GLU A 14 2.046 -9.148 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.986 -10.944 6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.002 -9.687 5.854 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.918 -10.315 8.847 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.064 -11.064 7.752 1.00 0.00 H new ATOM 212 N VAL A 15 3.603 -7.150 5.971 1.00 0.00 N ATOM 213 CA VAL A 15 4.258 -5.844 5.869 1.00 0.00 C ATOM 214 C VAL A 15 3.272 -4.702 6.118 1.00 0.00 C ATOM 215 O VAL A 15 3.579 -3.769 6.858 1.00 0.00 O ATOM 216 CB VAL A 15 4.942 -5.676 4.499 1.00 0.00 C ATOM 217 CG1 VAL A 15 5.788 -6.916 4.195 1.00 0.00 C ATOM 218 CG2 VAL A 15 3.899 -5.486 3.392 1.00 0.00 C ATOM 0 H VAL A 15 3.612 -7.701 5.113 1.00 0.00 H new ATOM 0 HA VAL A 15 5.023 -5.802 6.644 1.00 0.00 H new ATOM 0 HB VAL A 15 5.579 -4.792 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.272 -6.797 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.547 -7.037 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.147 -7.798 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.404 -5.369 2.433 1.00 0.00 H new ATOM 0 HG22 VAL A 15 3.245 -6.357 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.305 -4.596 3.600 1.00 0.00 H new ATOM 228 N ILE A 16 2.090 -4.777 5.511 1.00 0.00 N ATOM 229 CA ILE A 16 1.088 -3.731 5.703 1.00 0.00 C ATOM 230 C ILE A 16 0.834 -3.526 7.193 1.00 0.00 C ATOM 231 O ILE A 16 1.088 -2.450 7.733 1.00 0.00 O ATOM 232 CB ILE A 16 -0.229 -4.099 5.002 1.00 0.00 C ATOM 233 CG1 ILE A 16 -0.005 -4.246 3.486 1.00 0.00 C ATOM 234 CG2 ILE A 16 -1.262 -2.996 5.254 1.00 0.00 C ATOM 235 CD1 ILE A 16 0.774 -3.047 2.947 1.00 0.00 C ATOM 0 H ILE A 16 1.805 -5.537 4.893 1.00 0.00 H new ATOM 0 HA ILE A 16 1.468 -2.808 5.265 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.589 -5.047 5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.542 -5.166 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.965 -4.324 2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.198 -3.254 4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.435 -2.897 6.326 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.890 -2.051 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.925 -3.164 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.212 -2.133 3.137 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.742 -2.988 3.446 1.00 0.00 H new ATOM 247 N GLU A 17 0.344 -4.575 7.850 1.00 0.00 N ATOM 248 CA GLU A 17 0.066 -4.520 9.281 1.00 0.00 C ATOM 249 C GLU A 17 1.301 -4.060 10.054 1.00 0.00 C ATOM 250 O GLU A 17 1.188 -3.418 11.098 1.00 0.00 O ATOM 251 CB GLU A 17 -0.372 -5.903 9.776 1.00 0.00 C ATOM 252 CG GLU A 17 -0.491 -5.896 11.306 1.00 0.00 C ATOM 253 CD GLU A 17 -1.539 -6.911 11.768 1.00 0.00 C ATOM 254 OE1 GLU A 17 -1.787 -7.861 11.041 1.00 0.00 O ATOM 255 OE2 GLU A 17 -2.073 -6.726 12.850 1.00 0.00 O ATOM 0 H GLU A 17 0.132 -5.472 7.414 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.736 -3.802 9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.329 -6.173 9.329 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.350 -6.657 9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.475 -6.133 11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.765 -4.899 11.651 1.00 0.00 H new ATOM 262 N ARG A 18 2.478 -4.400 9.534 1.00 0.00 N ATOM 263 CA ARG A 18 3.734 -4.023 10.176 1.00 0.00 C ATOM 264 C ARG A 18 3.935 -2.508 10.131 1.00 0.00 C ATOM 265 O ARG A 18 4.225 -1.885 11.148 1.00 0.00 O ATOM 266 CB ARG A 18 4.908 -4.718 9.479 1.00 0.00 C ATOM 267 CG ARG A 18 6.171 -4.593 10.334 1.00 0.00 C ATOM 268 CD ARG A 18 7.331 -5.297 9.629 1.00 0.00 C ATOM 269 NE ARG A 18 8.573 -5.079 10.361 1.00 0.00 N ATOM 270 CZ ARG A 18 9.608 -5.898 10.214 1.00 0.00 C ATOM 271 NH1 ARG A 18 9.607 -7.064 10.800 1.00 0.00 N ATOM 272 NH2 ARG A 18 10.626 -5.532 9.483 1.00 0.00 N ATOM 0 H ARG A 18 2.588 -4.934 8.672 1.00 0.00 H new ATOM 0 HA ARG A 18 3.692 -4.338 11.219 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.673 -5.769 9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.076 -4.271 8.499 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.412 -3.542 10.495 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.005 -5.036 11.316 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.127 -6.365 9.555 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.430 -4.920 8.611 1.00 0.00 H new ATOM 0 HE ARG A 18 8.648 -4.285 10.996 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.811 -7.347 11.371 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.402 -7.692 10.687 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.625 -4.620 9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.423 -6.158 9.368 1.00 0.00 H new ATOM 286 N LEU A 19 3.790 -1.933 8.936 1.00 0.00 N ATOM 287 CA LEU A 19 3.963 -0.489 8.745 1.00 0.00 C ATOM 288 C LEU A 19 2.729 0.287 9.194 1.00 0.00 C ATOM 289 O LEU A 19 2.806 1.486 9.459 1.00 0.00 O ATOM 290 CB LEU A 19 4.237 -0.185 7.271 1.00 0.00 C ATOM 291 CG LEU A 19 5.733 -0.341 6.983 1.00 0.00 C ATOM 292 CD1 LEU A 19 6.173 -1.776 7.285 1.00 0.00 C ATOM 293 CD2 LEU A 19 5.999 -0.026 5.509 1.00 0.00 C ATOM 0 H LEU A 19 3.553 -2.443 8.085 1.00 0.00 H new ATOM 0 HA LEU A 19 4.810 -0.175 9.355 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.662 -0.860 6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.914 0.828 7.032 1.00 0.00 H new ATOM 0 HG LEU A 19 6.296 0.347 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.238 -1.881 7.078 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.983 -2.002 8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.612 -2.468 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.063 -0.136 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.433 -0.715 4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.691 0.997 5.294 1.00 0.00 H new ATOM 305 N ARG A 20 1.591 -0.399 9.249 1.00 0.00 N ATOM 306 CA ARG A 20 0.330 0.229 9.641 1.00 0.00 C ATOM 307 C ARG A 20 0.519 1.273 10.756 1.00 0.00 C ATOM 308 O ARG A 20 -0.069 2.347 10.693 1.00 0.00 O ATOM 309 CB ARG A 20 -0.677 -0.853 10.071 1.00 0.00 C ATOM 310 CG ARG A 20 -1.785 -0.239 10.940 1.00 0.00 C ATOM 311 CD ARG A 20 -2.998 -1.180 10.998 1.00 0.00 C ATOM 312 NE ARG A 20 -3.497 -1.466 9.653 1.00 0.00 N ATOM 313 CZ ARG A 20 -4.765 -1.816 9.440 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.251 -2.899 9.986 1.00 0.00 N ATOM 315 NH2 ARG A 20 -5.526 -1.075 8.682 1.00 0.00 N ATOM 0 H ARG A 20 1.515 -1.392 9.027 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.060 0.764 8.775 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.115 -1.322 9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.163 -1.637 10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.409 -0.057 11.947 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.084 0.727 10.532 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.719 -2.110 11.493 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.788 -0.726 11.595 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.860 -1.396 8.860 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.659 -3.481 10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.222 -3.162 9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.150 -0.229 8.253 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.497 -1.342 8.518 1.00 0.00 H new ATOM 329 N PRO A 21 1.307 0.998 11.770 1.00 0.00 N ATOM 330 CA PRO A 21 1.523 1.955 12.894 1.00 0.00 C ATOM 331 C PRO A 21 2.484 3.085 12.524 1.00 0.00 C ATOM 332 O PRO A 21 2.389 4.188 13.063 1.00 0.00 O ATOM 333 CB PRO A 21 2.096 1.083 14.026 1.00 0.00 C ATOM 334 CG PRO A 21 2.165 -0.318 13.494 1.00 0.00 C ATOM 335 CD PRO A 21 2.086 -0.219 11.974 1.00 0.00 C ATOM 0 HA PRO A 21 0.599 2.461 13.175 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.084 1.434 14.323 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.462 1.131 14.911 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.091 -0.803 13.802 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.345 -0.920 13.885 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.075 -0.147 11.521 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.598 -1.090 11.537 1.00 0.00 H new ATOM 343 N PHE A 22 3.403 2.807 11.600 1.00 0.00 N ATOM 344 CA PHE A 22 4.371 3.814 11.168 1.00 0.00 C ATOM 345 C PHE A 22 3.722 4.808 10.216 1.00 0.00 C ATOM 346 O PHE A 22 3.881 6.020 10.370 1.00 0.00 O ATOM 347 CB PHE A 22 5.557 3.144 10.471 1.00 0.00 C ATOM 348 CG PHE A 22 6.519 2.634 11.514 1.00 0.00 C ATOM 349 CD1 PHE A 22 6.336 1.363 12.072 1.00 0.00 C ATOM 350 CD2 PHE A 22 7.592 3.434 11.925 1.00 0.00 C ATOM 351 CE1 PHE A 22 7.227 0.894 13.043 1.00 0.00 C ATOM 352 CE2 PHE A 22 8.484 2.963 12.896 1.00 0.00 C ATOM 353 CZ PHE A 22 8.300 1.693 13.455 1.00 0.00 C ATOM 0 H PHE A 22 3.497 1.902 11.140 1.00 0.00 H new ATOM 0 HA PHE A 22 4.723 4.346 12.051 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.210 2.322 9.846 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.057 3.855 9.814 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.509 0.746 11.753 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.732 4.414 11.493 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.087 -0.086 13.475 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.313 3.579 13.213 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.987 1.329 14.205 1.00 0.00 H new ATOM 363 N LEU A 23 2.984 4.288 9.236 1.00 0.00 N ATOM 364 CA LEU A 23 2.311 5.145 8.270 1.00 0.00 C ATOM 365 C LEU A 23 1.415 6.136 9.004 1.00 0.00 C ATOM 366 O LEU A 23 1.308 7.295 8.615 1.00 0.00 O ATOM 367 CB LEU A 23 1.467 4.301 7.308 1.00 0.00 C ATOM 368 CG LEU A 23 2.372 3.357 6.504 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.576 2.119 6.083 1.00 0.00 C ATOM 370 CD2 LEU A 23 2.887 4.077 5.251 1.00 0.00 C ATOM 0 H LEU A 23 2.840 3.288 9.093 1.00 0.00 H new ATOM 0 HA LEU A 23 3.062 5.688 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.731 3.723 7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.913 4.951 6.631 1.00 0.00 H new ATOM 0 HG LEU A 23 3.217 3.056 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.219 1.449 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.211 1.602 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.730 2.423 5.466 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.529 3.404 4.683 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.042 4.381 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.456 4.959 5.546 1.00 0.00 H new ATOM 382 N LEU A 24 0.779 5.671 10.079 1.00 0.00 N ATOM 383 CA LEU A 24 -0.103 6.528 10.867 1.00 0.00 C ATOM 384 C LEU A 24 0.653 7.754 11.374 1.00 0.00 C ATOM 385 O LEU A 24 0.245 8.892 11.132 1.00 0.00 O ATOM 386 CB LEU A 24 -0.673 5.742 12.057 1.00 0.00 C ATOM 387 CG LEU A 24 -2.037 6.319 12.467 1.00 0.00 C ATOM 388 CD1 LEU A 24 -2.542 5.601 13.720 1.00 0.00 C ATOM 389 CD2 LEU A 24 -1.906 7.816 12.767 1.00 0.00 C ATOM 0 H LEU A 24 0.858 4.713 10.421 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.922 6.861 10.229 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.780 4.690 11.791 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.018 5.789 12.898 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.741 6.174 11.648 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.509 6.011 14.009 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.647 4.536 13.512 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.830 5.743 14.533 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.878 8.215 13.057 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.196 7.963 13.581 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.551 8.336 11.877 1.00 0.00 H new ATOM 401 N ARG A 25 1.748 7.508 12.087 1.00 0.00 N ATOM 402 CA ARG A 25 2.553 8.587 12.646 1.00 0.00 C ATOM 403 C ARG A 25 2.979 9.599 11.576 1.00 0.00 C ATOM 404 O ARG A 25 3.089 10.791 11.863 1.00 0.00 O ATOM 405 CB ARG A 25 3.806 8.013 13.319 1.00 0.00 C ATOM 406 CG ARG A 25 3.412 7.130 14.510 1.00 0.00 C ATOM 407 CD ARG A 25 4.590 6.221 14.881 1.00 0.00 C ATOM 408 NE ARG A 25 4.328 5.529 16.139 1.00 0.00 N ATOM 409 CZ ARG A 25 4.494 6.136 17.311 1.00 0.00 C ATOM 410 NH1 ARG A 25 5.674 6.571 17.662 1.00 0.00 N ATOM 411 NH2 ARG A 25 3.477 6.295 18.112 1.00 0.00 N ATOM 0 H ARG A 25 2.097 6.572 12.291 1.00 0.00 H new ATOM 0 HA ARG A 25 1.934 9.105 13.379 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.379 7.429 12.599 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.450 8.825 13.657 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.135 7.751 15.362 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.539 6.528 14.258 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.759 5.493 14.087 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.500 6.814 14.968 1.00 0.00 H new ATOM 0 HE ARG A 25 4.011 4.560 16.119 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.470 6.446 17.037 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.799 7.036 18.561 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.555 5.954 17.840 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.604 6.760 19.011 1.00 0.00 H new ATOM 425 N ASP A 26 3.248 9.124 10.357 1.00 0.00 N ATOM 426 CA ASP A 26 3.694 10.025 9.290 1.00 0.00 C ATOM 427 C ASP A 26 2.573 10.395 8.312 1.00 0.00 C ATOM 428 O ASP A 26 2.237 11.571 8.168 1.00 0.00 O ATOM 429 CB ASP A 26 4.830 9.352 8.520 1.00 0.00 C ATOM 430 CG ASP A 26 6.072 9.256 9.402 1.00 0.00 C ATOM 431 OD1 ASP A 26 6.770 10.250 9.519 1.00 0.00 O ATOM 432 OD2 ASP A 26 6.304 8.192 9.952 1.00 0.00 O ATOM 0 H ASP A 26 3.168 8.144 10.087 1.00 0.00 H new ATOM 0 HA ASP A 26 4.026 10.950 9.761 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.523 8.356 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.057 9.921 7.619 1.00 0.00 H new ATOM 437 N GLY A 27 2.006 9.394 7.637 1.00 0.00 N ATOM 438 CA GLY A 27 0.935 9.638 6.665 1.00 0.00 C ATOM 439 C GLY A 27 -0.439 9.300 7.238 1.00 0.00 C ATOM 440 O GLY A 27 -1.211 10.191 7.596 1.00 0.00 O ATOM 0 H GLY A 27 2.267 8.414 7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.954 10.684 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.113 9.041 5.771 1.00 0.00 H new ATOM 444 N GLY A 28 -0.736 8.004 7.311 1.00 0.00 N ATOM 445 CA GLY A 28 -2.019 7.538 7.832 1.00 0.00 C ATOM 446 C GLY A 28 -2.026 6.018 7.963 1.00 0.00 C ATOM 447 O GLY A 28 -1.046 5.419 8.393 1.00 0.00 O ATOM 0 H GLY A 28 -0.106 7.258 7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.210 7.993 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.824 7.855 7.168 1.00 0.00 H new ATOM 451 N ASP A 29 -3.134 5.392 7.587 1.00 0.00 N ATOM 452 CA ASP A 29 -3.235 3.939 7.678 1.00 0.00 C ATOM 453 C ASP A 29 -3.751 3.354 6.368 1.00 0.00 C ATOM 454 O ASP A 29 -4.821 3.729 5.891 1.00 0.00 O ATOM 455 CB ASP A 29 -4.176 3.561 8.827 1.00 0.00 C ATOM 456 CG ASP A 29 -3.443 3.652 10.164 1.00 0.00 C ATOM 457 OD1 ASP A 29 -2.298 3.251 10.217 1.00 0.00 O ATOM 458 OD2 ASP A 29 -4.042 4.119 11.116 1.00 0.00 O ATOM 0 H ASP A 29 -3.964 5.858 7.221 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.244 3.529 7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.040 4.226 8.832 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.553 2.549 8.679 1.00 0.00 H new ATOM 463 N CYS A 30 -2.984 2.433 5.788 1.00 0.00 N ATOM 464 CA CYS A 30 -3.377 1.806 4.529 1.00 0.00 C ATOM 465 C CYS A 30 -4.099 0.488 4.790 1.00 0.00 C ATOM 466 O CYS A 30 -3.967 -0.099 5.866 1.00 0.00 O ATOM 467 CB CYS A 30 -2.144 1.564 3.658 1.00 0.00 C ATOM 468 SG CYS A 30 -0.942 0.560 4.567 1.00 0.00 S ATOM 0 H CYS A 30 -2.095 2.107 6.166 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.058 2.477 4.005 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.432 1.058 2.736 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.696 2.516 3.373 1.00 0.00 H new ATOM 0 HG CYS A 30 0.104 0.355 3.822 1.00 0.00 H new ATOM 474 N THR A 31 -4.867 0.030 3.801 1.00 0.00 N ATOM 475 CA THR A 31 -5.611 -1.220 3.941 1.00 0.00 C ATOM 476 C THR A 31 -5.804 -1.902 2.585 1.00 0.00 C ATOM 477 O THR A 31 -6.344 -1.305 1.649 1.00 0.00 O ATOM 478 CB THR A 31 -6.984 -0.949 4.573 1.00 0.00 C ATOM 479 OG1 THR A 31 -6.853 0.001 5.624 1.00 0.00 O ATOM 480 CG2 THR A 31 -7.558 -2.253 5.135 1.00 0.00 C ATOM 0 H THR A 31 -4.989 0.500 2.904 1.00 0.00 H new ATOM 0 HA THR A 31 -5.033 -1.882 4.586 1.00 0.00 H new ATOM 0 HB THR A 31 -7.655 -0.553 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.707 0.463 5.756 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.532 -2.058 5.583 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.668 -2.979 4.330 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.883 -2.651 5.893 1.00 0.00 H new ATOM 488 N LEU A 32 -5.371 -3.162 2.498 1.00 0.00 N ATOM 489 CA LEU A 32 -5.509 -3.939 1.268 1.00 0.00 C ATOM 490 C LEU A 32 -6.946 -4.426 1.122 1.00 0.00 C ATOM 491 O LEU A 32 -7.471 -5.105 2.005 1.00 0.00 O ATOM 492 CB LEU A 32 -4.559 -5.148 1.295 1.00 0.00 C ATOM 493 CG LEU A 32 -4.834 -6.065 0.090 1.00 0.00 C ATOM 494 CD1 LEU A 32 -4.782 -5.251 -1.208 1.00 0.00 C ATOM 495 CD2 LEU A 32 -3.777 -7.176 0.035 1.00 0.00 C ATOM 0 H LEU A 32 -4.923 -3.664 3.265 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.253 -3.302 0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.524 -4.807 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.692 -5.704 2.223 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.824 -6.507 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.978 -5.907 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.537 -4.465 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.795 -4.802 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.974 -7.824 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.787 -6.732 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.818 -7.763 0.953 1.00 0.00 H new ATOM 507 N VAL A 33 -7.575 -4.074 0.007 1.00 0.00 N ATOM 508 CA VAL A 33 -8.955 -4.477 -0.243 1.00 0.00 C ATOM 509 C VAL A 33 -9.011 -5.765 -1.061 1.00 0.00 C ATOM 510 O VAL A 33 -9.909 -6.586 -0.865 1.00 0.00 O ATOM 511 CB VAL A 33 -9.693 -3.355 -0.981 1.00 0.00 C ATOM 512 CG1 VAL A 33 -11.062 -3.853 -1.458 1.00 0.00 C ATOM 513 CG2 VAL A 33 -9.882 -2.168 -0.032 1.00 0.00 C ATOM 0 H VAL A 33 -7.155 -3.514 -0.735 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.439 -4.664 0.716 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.107 -3.046 -1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -11.579 -3.049 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -10.927 -4.698 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -11.655 -4.167 -0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.407 -1.366 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.466 -2.483 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.908 -1.809 0.300 1.00 0.00 H new ATOM 523 N ASP A 34 -8.056 -5.944 -1.975 1.00 0.00 N ATOM 524 CA ASP A 34 -8.030 -7.147 -2.806 1.00 0.00 C ATOM 525 C ASP A 34 -6.706 -7.273 -3.557 1.00 0.00 C ATOM 526 O ASP A 34 -6.172 -6.287 -4.067 1.00 0.00 O ATOM 527 CB ASP A 34 -9.190 -7.113 -3.810 1.00 0.00 C ATOM 528 CG ASP A 34 -9.512 -8.526 -4.300 1.00 0.00 C ATOM 529 OD1 ASP A 34 -9.660 -9.405 -3.466 1.00 0.00 O ATOM 530 OD2 ASP A 34 -9.608 -8.706 -5.503 1.00 0.00 O ATOM 0 H ASP A 34 -7.301 -5.282 -2.157 1.00 0.00 H new ATOM 0 HA ASP A 34 -8.136 -8.012 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.071 -6.674 -3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.928 -6.478 -4.657 1.00 0.00 H new ATOM 535 N VAL A 35 -6.194 -8.502 -3.629 1.00 0.00 N ATOM 536 CA VAL A 35 -4.942 -8.771 -4.330 1.00 0.00 C ATOM 537 C VAL A 35 -5.235 -9.430 -5.675 1.00 0.00 C ATOM 538 O VAL A 35 -5.943 -10.435 -5.741 1.00 0.00 O ATOM 539 CB VAL A 35 -4.040 -9.680 -3.478 1.00 0.00 C ATOM 540 CG1 VAL A 35 -4.702 -11.049 -3.278 1.00 0.00 C ATOM 541 CG2 VAL A 35 -2.687 -9.861 -4.179 1.00 0.00 C ATOM 0 H VAL A 35 -6.628 -9.325 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.422 -7.829 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.889 -9.216 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.053 -11.682 -2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.658 -10.920 -2.771 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.866 -11.519 -4.248 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.048 -10.505 -3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.842 -10.317 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.209 -8.889 -4.304 1.00 0.00 H new ATOM 551 N GLU A 36 -4.692 -8.851 -6.744 1.00 0.00 N ATOM 552 CA GLU A 36 -4.904 -9.385 -8.085 1.00 0.00 C ATOM 553 C GLU A 36 -3.700 -9.096 -8.976 1.00 0.00 C ATOM 554 O GLU A 36 -3.733 -8.192 -9.811 1.00 0.00 O ATOM 555 CB GLU A 36 -6.172 -8.780 -8.702 1.00 0.00 C ATOM 556 CG GLU A 36 -6.424 -9.414 -10.077 1.00 0.00 C ATOM 557 CD GLU A 36 -7.916 -9.409 -10.407 1.00 0.00 C ATOM 558 OE1 GLU A 36 -8.697 -9.799 -9.554 1.00 0.00 O ATOM 559 OE2 GLU A 36 -8.254 -9.022 -11.514 1.00 0.00 O ATOM 0 H GLU A 36 -4.106 -8.017 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.027 -10.465 -8.009 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.026 -8.953 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.061 -7.700 -8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.875 -8.865 -10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.048 -10.437 -10.086 1.00 0.00 H new ATOM 566 N ASP A 37 -2.642 -9.886 -8.791 1.00 0.00 N ATOM 567 CA ASP A 37 -1.421 -9.737 -9.580 1.00 0.00 C ATOM 568 C ASP A 37 -0.876 -8.310 -9.484 1.00 0.00 C ATOM 569 O ASP A 37 -0.053 -8.006 -8.619 1.00 0.00 O ATOM 570 CB ASP A 37 -1.708 -10.100 -11.048 1.00 0.00 C ATOM 571 CG ASP A 37 -0.504 -9.771 -11.930 1.00 0.00 C ATOM 572 OD1 ASP A 37 0.438 -10.545 -11.925 1.00 0.00 O ATOM 573 OD2 ASP A 37 -0.543 -8.751 -12.602 1.00 0.00 O ATOM 0 H ASP A 37 -2.607 -10.636 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.664 -10.413 -9.181 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.943 -11.161 -11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.583 -9.553 -11.399 1.00 0.00 H new ATOM 578 N GLY A 38 -1.341 -7.448 -10.385 1.00 0.00 N ATOM 579 CA GLY A 38 -0.902 -6.054 -10.416 1.00 0.00 C ATOM 580 C GLY A 38 -2.055 -5.106 -10.091 1.00 0.00 C ATOM 581 O GLY A 38 -1.834 -3.967 -9.682 1.00 0.00 O ATOM 0 H GLY A 38 -2.022 -7.690 -11.104 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.094 -5.908 -9.699 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.500 -5.818 -11.401 1.00 0.00 H new ATOM 585 N ILE A 39 -3.284 -5.589 -10.277 1.00 0.00 N ATOM 586 CA ILE A 39 -4.473 -4.786 -10.005 1.00 0.00 C ATOM 587 C ILE A 39 -4.824 -4.865 -8.525 1.00 0.00 C ATOM 588 O ILE A 39 -5.874 -5.381 -8.142 1.00 0.00 O ATOM 589 CB ILE A 39 -5.660 -5.271 -10.853 1.00 0.00 C ATOM 590 CG1 ILE A 39 -5.269 -5.283 -12.337 1.00 0.00 C ATOM 591 CG2 ILE A 39 -6.850 -4.320 -10.659 1.00 0.00 C ATOM 592 CD1 ILE A 39 -4.348 -6.472 -12.632 1.00 0.00 C ATOM 0 H ILE A 39 -3.480 -6.531 -10.615 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.260 -3.750 -10.269 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.934 -6.278 -10.539 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.164 -5.345 -12.956 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.766 -4.351 -12.596 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.692 -4.663 -11.260 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.137 -4.306 -9.607 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.567 -3.315 -10.972 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.078 -6.470 -13.688 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.445 -6.392 -12.026 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.865 -7.401 -12.392 1.00 0.00 H new ATOM 604 N VAL A 40 -3.920 -4.359 -7.698 1.00 0.00 N ATOM 605 CA VAL A 40 -4.118 -4.378 -6.254 1.00 0.00 C ATOM 606 C VAL A 40 -4.920 -3.162 -5.792 1.00 0.00 C ATOM 607 O VAL A 40 -4.486 -2.018 -5.950 1.00 0.00 O ATOM 608 CB VAL A 40 -2.754 -4.414 -5.545 1.00 0.00 C ATOM 609 CG1 VAL A 40 -2.825 -3.667 -4.207 1.00 0.00 C ATOM 610 CG2 VAL A 40 -2.363 -5.873 -5.284 1.00 0.00 C ATOM 0 H VAL A 40 -3.045 -3.931 -8.000 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.685 -5.272 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.012 -3.931 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.851 -3.702 -3.718 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.105 -2.629 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.570 -4.139 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.396 -5.906 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.117 -6.344 -4.653 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.298 -6.407 -6.232 1.00 0.00 H new ATOM 620 N LYS A 41 -6.080 -3.424 -5.198 1.00 0.00 N ATOM 621 CA LYS A 41 -6.923 -2.351 -4.686 1.00 0.00 C ATOM 622 C LYS A 41 -6.463 -1.986 -3.281 1.00 0.00 C ATOM 623 O LYS A 41 -6.114 -2.863 -2.489 1.00 0.00 O ATOM 624 CB LYS A 41 -8.389 -2.787 -4.655 1.00 0.00 C ATOM 625 CG LYS A 41 -8.886 -3.022 -6.085 1.00 0.00 C ATOM 626 CD LYS A 41 -10.410 -2.880 -6.124 1.00 0.00 C ATOM 627 CE LYS A 41 -10.898 -2.955 -7.573 1.00 0.00 C ATOM 628 NZ LYS A 41 -10.583 -4.297 -8.136 1.00 0.00 N ATOM 0 H LYS A 41 -6.455 -4.363 -5.060 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.837 -1.485 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.495 -3.699 -4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.996 -2.023 -4.169 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.425 -2.305 -6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.594 -4.016 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.874 -3.669 -5.533 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.708 -1.931 -5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.972 -2.774 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.420 -2.178 -8.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.126 -4.442 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -9.566 -4.356 -8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.837 -5.032 -7.445 1.00 0.00 H new ATOM 642 N LEU A 42 -6.448 -0.695 -2.979 1.00 0.00 N ATOM 643 CA LEU A 42 -6.006 -0.234 -1.668 1.00 0.00 C ATOM 644 C LEU A 42 -6.883 0.901 -1.160 1.00 0.00 C ATOM 645 O LEU A 42 -7.694 1.456 -1.903 1.00 0.00 O ATOM 646 CB LEU A 42 -4.557 0.252 -1.759 1.00 0.00 C ATOM 647 CG LEU A 42 -3.598 -0.928 -1.587 1.00 0.00 C ATOM 648 CD1 LEU A 42 -2.273 -0.615 -2.288 1.00 0.00 C ATOM 649 CD2 LEU A 42 -3.342 -1.166 -0.095 1.00 0.00 C ATOM 0 H LEU A 42 -6.734 0.047 -3.617 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.081 -1.068 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.386 0.733 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.367 1.001 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.040 -1.822 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.589 -1.455 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.454 -0.446 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.831 0.279 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.659 -2.007 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.900 -0.272 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.285 -1.389 0.405 1.00 0.00 H new ATOM 661 N GLN A 43 -6.697 1.243 0.111 1.00 0.00 N ATOM 662 CA GLN A 43 -7.457 2.320 0.735 1.00 0.00 C ATOM 663 C GLN A 43 -6.586 3.059 1.746 1.00 0.00 C ATOM 664 O GLN A 43 -6.202 2.497 2.773 1.00 0.00 O ATOM 665 CB GLN A 43 -8.689 1.749 1.443 1.00 0.00 C ATOM 666 CG GLN A 43 -9.816 1.537 0.428 1.00 0.00 C ATOM 667 CD GLN A 43 -10.976 0.772 1.067 1.00 0.00 C ATOM 668 OE1 GLN A 43 -11.866 0.298 0.361 1.00 0.00 O ATOM 669 NE2 GLN A 43 -11.022 0.620 2.366 1.00 0.00 N ATOM 0 H GLN A 43 -6.025 0.789 0.730 1.00 0.00 H new ATOM 0 HA GLN A 43 -7.777 3.017 -0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.438 0.804 1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.017 2.430 2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.167 2.501 0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -9.439 0.985 -0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.285 1.012 2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.795 0.109 2.793 1.00 0.00 H new ATOM 678 N LEU A 44 -6.275 4.319 1.442 1.00 0.00 N ATOM 679 CA LEU A 44 -5.447 5.131 2.330 1.00 0.00 C ATOM 680 C LEU A 44 -6.323 5.900 3.317 1.00 0.00 C ATOM 681 O LEU A 44 -6.971 6.883 2.955 1.00 0.00 O ATOM 682 CB LEU A 44 -4.607 6.114 1.511 1.00 0.00 C ATOM 683 CG LEU A 44 -3.597 6.819 2.423 1.00 0.00 C ATOM 684 CD1 LEU A 44 -2.345 5.949 2.574 1.00 0.00 C ATOM 685 CD2 LEU A 44 -3.211 8.166 1.805 1.00 0.00 C ATOM 0 H LEU A 44 -6.582 4.796 0.594 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.784 4.470 2.887 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.084 5.584 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.254 6.849 1.033 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.044 6.981 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.628 6.452 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.619 4.989 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.895 5.785 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.493 8.670 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.764 8.002 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.101 8.786 1.699 1.00 0.00 H new ATOM 697 N HIS A 45 -6.330 5.445 4.566 1.00 0.00 N ATOM 698 CA HIS A 45 -7.123 6.094 5.604 1.00 0.00 C ATOM 699 C HIS A 45 -6.424 7.355 6.100 1.00 0.00 C ATOM 700 O HIS A 45 -5.690 7.321 7.089 1.00 0.00 O ATOM 701 CB HIS A 45 -7.343 5.141 6.780 1.00 0.00 C ATOM 702 CG HIS A 45 -8.042 3.897 6.300 1.00 0.00 C ATOM 703 ND1 HIS A 45 -9.303 3.543 6.747 1.00 0.00 N ATOM 704 CD2 HIS A 45 -7.668 2.912 5.418 1.00 0.00 C ATOM 705 CE1 HIS A 45 -9.641 2.390 6.141 1.00 0.00 C ATOM 706 NE2 HIS A 45 -8.680 1.962 5.319 1.00 0.00 N ATOM 0 H HIS A 45 -5.799 4.634 4.883 1.00 0.00 H new ATOM 0 HA HIS A 45 -8.087 6.365 5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.387 4.881 7.234 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.939 5.630 7.551 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -9.873 4.062 7.415 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.731 2.880 4.883 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.576 1.874 6.300 1.00 0.00 H new ATOM 714 N GLY A 46 -6.660 8.466 5.411 1.00 0.00 N ATOM 715 CA GLY A 46 -6.053 9.734 5.795 1.00 0.00 C ATOM 716 C GLY A 46 -6.919 10.441 6.831 1.00 0.00 C ATOM 717 O GLY A 46 -7.828 11.196 6.482 1.00 0.00 O ATOM 0 H GLY A 46 -7.263 8.514 4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.057 9.560 6.201 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.933 10.369 4.917 1.00 0.00 H new ATOM 721 N ALA A 47 -6.632 10.187 8.108 1.00 0.00 N ATOM 722 CA ALA A 47 -7.391 10.799 9.196 1.00 0.00 C ATOM 723 C ALA A 47 -7.206 12.315 9.208 1.00 0.00 C ATOM 724 O ALA A 47 -7.760 13.012 10.060 1.00 0.00 O ATOM 725 CB ALA A 47 -6.948 10.207 10.537 1.00 0.00 C ATOM 0 H ALA A 47 -5.883 9.565 8.412 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.448 10.586 9.038 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.518 10.668 11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -7.125 9.131 10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.886 10.400 10.687 1.00 0.00 H new ATOM 763 N CYS A 51 -6.954 19.311 3.596 1.00 0.00 N ATOM 764 CA CYS A 51 -6.285 19.596 2.328 1.00 0.00 C ATOM 765 C CYS A 51 -4.822 19.153 2.395 1.00 0.00 C ATOM 766 O CYS A 51 -3.909 19.980 2.340 1.00 0.00 O ATOM 767 CB CYS A 51 -6.368 21.098 2.031 1.00 0.00 C ATOM 768 SG CYS A 51 -5.340 21.510 0.597 1.00 0.00 S ATOM 0 HA CYS A 51 -6.780 19.045 1.529 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.403 21.382 1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.037 21.667 2.900 1.00 0.00 H new ATOM 0 HG CYS A 51 -4.149 21.014 0.760 1.00 0.00 H new ATOM 774 N PRO A 52 -4.586 17.867 2.513 1.00 0.00 N ATOM 775 CA PRO A 52 -3.212 17.299 2.596 1.00 0.00 C ATOM 776 C PRO A 52 -2.531 17.256 1.232 1.00 0.00 C ATOM 777 O PRO A 52 -2.965 16.534 0.331 1.00 0.00 O ATOM 778 CB PRO A 52 -3.418 15.878 3.148 1.00 0.00 C ATOM 779 CG PRO A 52 -4.893 15.701 3.355 1.00 0.00 C ATOM 780 CD PRO A 52 -5.597 16.810 2.578 1.00 0.00 C ATOM 0 HA PRO A 52 -2.562 17.907 3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.034 15.133 2.451 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -2.878 15.746 4.085 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.215 14.721 3.003 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.142 15.757 4.415 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.896 16.478 1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.500 17.147 3.087 1.00 0.00 H new ATOM 788 N SER A 53 -1.461 18.029 1.089 1.00 0.00 N ATOM 789 CA SER A 53 -0.721 18.068 -0.165 1.00 0.00 C ATOM 790 C SER A 53 0.268 16.909 -0.224 1.00 0.00 C ATOM 791 O SER A 53 0.761 16.550 -1.294 1.00 0.00 O ATOM 792 CB SER A 53 0.030 19.395 -0.292 1.00 0.00 C ATOM 793 OG SER A 53 0.977 19.505 0.763 1.00 0.00 O ATOM 0 H SER A 53 -1.089 18.634 1.821 1.00 0.00 H new ATOM 0 HA SER A 53 -1.427 17.978 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.536 19.448 -1.256 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.672 20.228 -0.254 1.00 0.00 H new ATOM 0 HG SER A 53 1.460 20.354 0.682 1.00 0.00 H new ATOM 799 N SER A 54 0.551 16.331 0.943 1.00 0.00 N ATOM 800 CA SER A 54 1.484 15.214 1.038 1.00 0.00 C ATOM 801 C SER A 54 0.820 13.911 0.607 1.00 0.00 C ATOM 802 O SER A 54 1.371 13.174 -0.206 1.00 0.00 O ATOM 803 CB SER A 54 1.989 15.078 2.474 1.00 0.00 C ATOM 804 OG SER A 54 2.410 16.351 2.947 1.00 0.00 O ATOM 0 H SER A 54 0.147 16.619 1.834 1.00 0.00 H new ATOM 0 HA SER A 54 2.323 15.414 0.371 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.200 14.683 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.817 14.370 2.515 1.00 0.00 H new ATOM 0 HG SER A 54 2.733 16.267 3.868 1.00 0.00 H new ATOM 810 N THR A 55 -0.366 13.635 1.159 1.00 0.00 N ATOM 811 CA THR A 55 -1.100 12.415 0.821 1.00 0.00 C ATOM 812 C THR A 55 -1.017 12.149 -0.682 1.00 0.00 C ATOM 813 O THR A 55 -0.849 11.008 -1.114 1.00 0.00 O ATOM 814 CB THR A 55 -2.567 12.551 1.246 1.00 0.00 C ATOM 815 OG1 THR A 55 -2.640 12.633 2.664 1.00 0.00 O ATOM 816 CG2 THR A 55 -3.365 11.337 0.763 1.00 0.00 C ATOM 0 H THR A 55 -0.834 14.236 1.837 1.00 0.00 H new ATOM 0 HA THR A 55 -0.651 11.577 1.353 1.00 0.00 H new ATOM 0 HB THR A 55 -2.988 13.454 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.576 12.722 2.939 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.406 11.441 1.069 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.310 11.275 -0.324 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.947 10.430 1.200 1.00 0.00 H new ATOM 824 N ILE A 56 -1.114 13.221 -1.465 1.00 0.00 N ATOM 825 CA ILE A 56 -1.027 13.118 -2.917 1.00 0.00 C ATOM 826 C ILE A 56 0.339 12.556 -3.310 1.00 0.00 C ATOM 827 O ILE A 56 0.434 11.558 -4.028 1.00 0.00 O ATOM 828 CB ILE A 56 -1.221 14.502 -3.551 1.00 0.00 C ATOM 829 CG1 ILE A 56 -2.498 15.155 -2.990 1.00 0.00 C ATOM 830 CG2 ILE A 56 -1.335 14.359 -5.073 1.00 0.00 C ATOM 831 CD1 ILE A 56 -2.549 16.633 -3.393 1.00 0.00 C ATOM 0 H ILE A 56 -1.253 14.170 -1.117 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.809 12.449 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.364 15.132 -3.313 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.379 14.636 -3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.516 15.064 -1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.473 15.343 -5.522 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.425 13.906 -5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.189 13.727 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.455 17.088 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.676 17.149 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.552 16.714 -4.480 1.00 0.00 H new ATOM 843 N THR A 57 1.394 13.200 -2.807 1.00 0.00 N ATOM 844 CA THR A 57 2.760 12.760 -3.081 1.00 0.00 C ATOM 845 C THR A 57 2.975 11.363 -2.509 1.00 0.00 C ATOM 846 O THR A 57 3.678 10.541 -3.098 1.00 0.00 O ATOM 847 CB THR A 57 3.767 13.735 -2.449 1.00 0.00 C ATOM 848 OG1 THR A 57 3.578 15.032 -2.994 1.00 0.00 O ATOM 849 CG2 THR A 57 5.201 13.271 -2.734 1.00 0.00 C ATOM 0 H THR A 57 1.328 14.025 -2.210 1.00 0.00 H new ATOM 0 HA THR A 57 2.914 12.739 -4.160 1.00 0.00 H new ATOM 0 HB THR A 57 3.606 13.760 -1.371 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.219 15.653 -2.590 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.906 13.969 -2.282 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.353 12.278 -2.312 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.365 13.237 -3.811 1.00 0.00 H new ATOM 857 N LEU A 58 2.355 11.108 -1.354 1.00 0.00 N ATOM 858 CA LEU A 58 2.467 9.811 -0.693 1.00 0.00 C ATOM 859 C LEU A 58 2.006 8.696 -1.623 1.00 0.00 C ATOM 860 O LEU A 58 2.760 7.767 -1.909 1.00 0.00 O ATOM 861 CB LEU A 58 1.618 9.803 0.583 1.00 0.00 C ATOM 862 CG LEU A 58 2.063 8.649 1.483 1.00 0.00 C ATOM 863 CD1 LEU A 58 3.278 9.085 2.305 1.00 0.00 C ATOM 864 CD2 LEU A 58 0.915 8.258 2.419 1.00 0.00 C ATOM 0 H LEU A 58 1.772 11.783 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 58 3.512 9.642 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.725 10.751 1.110 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.563 9.696 0.330 1.00 0.00 H new ATOM 0 HG LEU A 58 2.333 7.790 0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.597 8.264 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.092 9.358 1.634 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.012 9.944 2.920 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.232 7.436 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.641 9.114 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.054 7.946 1.828 1.00 0.00 H new ATOM 876 N LYS A 59 0.765 8.798 -2.094 1.00 0.00 N ATOM 877 CA LYS A 59 0.216 7.798 -2.999 1.00 0.00 C ATOM 878 C LYS A 59 1.201 7.513 -4.128 1.00 0.00 C ATOM 879 O LYS A 59 1.589 6.364 -4.351 1.00 0.00 O ATOM 880 CB LYS A 59 -1.109 8.291 -3.579 1.00 0.00 C ATOM 881 CG LYS A 59 -1.775 7.155 -4.358 1.00 0.00 C ATOM 882 CD LYS A 59 -2.924 7.708 -5.207 1.00 0.00 C ATOM 883 CE LYS A 59 -3.979 8.352 -4.300 1.00 0.00 C ATOM 884 NZ LYS A 59 -3.649 9.790 -4.087 1.00 0.00 N ATOM 0 H LYS A 59 0.126 9.559 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 59 0.042 6.878 -2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.765 8.631 -2.778 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.937 9.145 -4.235 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.043 6.663 -4.998 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.152 6.401 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.543 8.443 -5.916 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.375 6.906 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.967 8.259 -4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.016 7.832 -3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.426 9.950 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.827 10.048 -4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.464 10.377 -4.358 1.00 0.00 H new ATOM 898 N ALA A 60 1.611 8.572 -4.828 1.00 0.00 N ATOM 899 CA ALA A 60 2.567 8.434 -5.923 1.00 0.00 C ATOM 900 C ALA A 60 3.877 7.844 -5.403 1.00 0.00 C ATOM 901 O ALA A 60 4.658 7.270 -6.161 1.00 0.00 O ATOM 902 CB ALA A 60 2.836 9.797 -6.568 1.00 0.00 C ATOM 0 H ALA A 60 1.298 9.527 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 60 2.144 7.765 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.550 9.679 -7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.904 10.205 -6.959 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.245 10.478 -5.822 1.00 0.00 H new ATOM 908 N GLY A 61 4.094 7.983 -4.096 1.00 0.00 N ATOM 909 CA GLY A 61 5.296 7.457 -3.457 1.00 0.00 C ATOM 910 C GLY A 61 5.229 5.939 -3.371 1.00 0.00 C ATOM 911 O GLY A 61 6.204 5.245 -3.663 1.00 0.00 O ATOM 0 H GLY A 61 3.452 8.456 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.178 7.757 -4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.399 7.880 -2.458 1.00 0.00 H new ATOM 915 N ILE A 62 4.062 5.430 -2.974 1.00 0.00 N ATOM 916 CA ILE A 62 3.863 3.988 -2.856 1.00 0.00 C ATOM 917 C ILE A 62 4.069 3.322 -4.209 1.00 0.00 C ATOM 918 O ILE A 62 4.932 2.457 -4.360 1.00 0.00 O ATOM 919 CB ILE A 62 2.449 3.682 -2.350 1.00 0.00 C ATOM 920 CG1 ILE A 62 2.081 4.657 -1.221 1.00 0.00 C ATOM 921 CG2 ILE A 62 2.395 2.241 -1.830 1.00 0.00 C ATOM 922 CD1 ILE A 62 0.741 4.256 -0.597 1.00 0.00 C ATOM 0 H ILE A 62 3.246 5.992 -2.731 1.00 0.00 H new ATOM 0 HA ILE A 62 4.589 3.598 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 62 1.737 3.798 -3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.861 4.655 -0.460 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.020 5.673 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.390 2.022 -1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.649 1.553 -2.637 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.107 2.122 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.489 4.953 0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.037 4.281 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 62 0.817 3.248 -0.189 1.00 0.00 H new ATOM 934 N GLU A 63 3.273 3.738 -5.193 1.00 0.00 N ATOM 935 CA GLU A 63 3.382 3.187 -6.539 1.00 0.00 C ATOM 936 C GLU A 63 4.846 3.109 -6.951 1.00 0.00 C ATOM 937 O GLU A 63 5.335 2.050 -7.350 1.00 0.00 O ATOM 938 CB GLU A 63 2.615 4.063 -7.533 1.00 0.00 C ATOM 939 CG GLU A 63 2.692 3.447 -8.937 1.00 0.00 C ATOM 940 CD GLU A 63 1.994 2.087 -8.966 1.00 0.00 C ATOM 941 OE1 GLU A 63 2.622 1.109 -8.596 1.00 0.00 O ATOM 942 OE2 GLU A 63 0.845 2.042 -9.368 1.00 0.00 O ATOM 0 H GLU A 63 2.551 4.450 -5.083 1.00 0.00 H new ATOM 0 HA GLU A 63 2.952 2.185 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.574 4.155 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.034 5.069 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.226 4.117 -9.660 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.735 3.333 -9.234 1.00 0.00 H new ATOM 949 N ARG A 64 5.542 4.241 -6.835 1.00 0.00 N ATOM 950 CA ARG A 64 6.956 4.293 -7.179 1.00 0.00 C ATOM 951 C ARG A 64 7.702 3.204 -6.424 1.00 0.00 C ATOM 952 O ARG A 64 8.567 2.530 -6.978 1.00 0.00 O ATOM 953 CB ARG A 64 7.546 5.662 -6.820 1.00 0.00 C ATOM 954 CG ARG A 64 9.037 5.695 -7.183 1.00 0.00 C ATOM 955 CD ARG A 64 9.466 7.130 -7.512 1.00 0.00 C ATOM 956 NE ARG A 64 10.917 7.192 -7.692 1.00 0.00 N ATOM 957 CZ ARG A 64 11.747 6.736 -6.756 1.00 0.00 C ATOM 958 NH1 ARG A 64 11.462 6.908 -5.496 1.00 0.00 N ATOM 959 NH2 ARG A 64 12.844 6.115 -7.098 1.00 0.00 N ATOM 0 H ARG A 64 5.151 5.124 -6.508 1.00 0.00 H new ATOM 0 HA ARG A 64 7.062 4.136 -8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.014 6.449 -7.355 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.417 5.856 -5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.630 5.311 -6.353 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.226 5.045 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 64 8.964 7.469 -8.418 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.162 7.802 -6.709 1.00 0.00 H new ATOM 0 HE ARG A 64 11.299 7.591 -8.549 1.00 0.00 H new ATOM 0 HH11 ARG A 64 10.604 7.391 -5.228 1.00 0.00 H new ATOM 0 HH12 ARG A 64 12.096 6.559 -4.777 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.067 5.978 -8.084 1.00 0.00 H new ATOM 0 HH22 ARG A 64 13.478 5.767 -6.379 1.00 0.00 H new ATOM 973 N ALA A 65 7.340 3.030 -5.155 1.00 0.00 N ATOM 974 CA ALA A 65 7.965 2.011 -4.326 1.00 0.00 C ATOM 975 C ALA A 65 7.780 0.634 -4.956 1.00 0.00 C ATOM 976 O ALA A 65 8.732 -0.131 -5.064 1.00 0.00 O ATOM 977 CB ALA A 65 7.354 2.018 -2.922 1.00 0.00 C ATOM 0 H ALA A 65 6.621 3.579 -4.684 1.00 0.00 H new ATOM 0 HA ALA A 65 9.030 2.232 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.832 1.250 -2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.509 2.994 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.285 1.815 -2.989 1.00 0.00 H new ATOM 983 N LEU A 66 6.553 0.328 -5.372 1.00 0.00 N ATOM 984 CA LEU A 66 6.269 -0.965 -5.994 1.00 0.00 C ATOM 985 C LEU A 66 7.117 -1.153 -7.243 1.00 0.00 C ATOM 986 O LEU A 66 7.900 -2.092 -7.340 1.00 0.00 O ATOM 987 CB LEU A 66 4.790 -1.069 -6.377 1.00 0.00 C ATOM 988 CG LEU A 66 3.904 -0.573 -5.229 1.00 0.00 C ATOM 989 CD1 LEU A 66 2.447 -0.928 -5.531 1.00 0.00 C ATOM 990 CD2 LEU A 66 4.323 -1.236 -3.910 1.00 0.00 C ATOM 0 H LEU A 66 5.748 0.949 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 66 6.510 -1.742 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.598 -0.480 -7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.542 -2.103 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 66 4.015 0.507 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.811 -0.578 -4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.142 -0.450 -6.462 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.349 -2.009 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.686 -0.875 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.220 -2.318 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.361 -0.987 -3.691 1.00 0.00 H new ATOM 1002 N HIS A 67 6.955 -0.250 -8.201 1.00 0.00 N ATOM 1003 CA HIS A 67 7.715 -0.328 -9.439 1.00 0.00 C ATOM 1004 C HIS A 67 9.211 -0.412 -9.144 1.00 0.00 C ATOM 1005 O HIS A 67 9.887 -1.351 -9.564 1.00 0.00 O ATOM 1006 CB HIS A 67 7.430 0.903 -10.300 1.00 0.00 C ATOM 1007 CG HIS A 67 6.211 0.648 -11.141 1.00 0.00 C ATOM 1008 ND1 HIS A 67 6.266 0.600 -12.525 1.00 0.00 N ATOM 1009 CD2 HIS A 67 4.899 0.421 -10.810 1.00 0.00 C ATOM 1010 CE1 HIS A 67 5.021 0.354 -12.970 1.00 0.00 C ATOM 1011 NE2 HIS A 67 4.149 0.236 -11.966 1.00 0.00 N ATOM 0 H HIS A 67 6.310 0.538 -8.145 1.00 0.00 H new ATOM 0 HA HIS A 67 7.412 -1.226 -9.977 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.273 1.776 -9.666 1.00 0.00 H new ATOM 0 HB3 HIS A 67 8.287 1.122 -10.937 1.00 0.00 H new ATOM 0 HD1 HIS A 67 7.098 0.728 -13.101 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.508 0.391 -9.804 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.758 0.263 -14.014 1.00 0.00 H new ATOM 1019 N GLU A 68 9.713 0.581 -8.416 1.00 0.00 N ATOM 1020 CA GLU A 68 11.130 0.632 -8.056 1.00 0.00 C ATOM 1021 C GLU A 68 11.500 -0.472 -7.063 1.00 0.00 C ATOM 1022 O GLU A 68 12.681 -0.718 -6.823 1.00 0.00 O ATOM 1023 CB GLU A 68 11.454 1.996 -7.445 1.00 0.00 C ATOM 1024 CG GLU A 68 11.113 3.104 -8.446 1.00 0.00 C ATOM 1025 CD GLU A 68 11.972 2.961 -9.698 1.00 0.00 C ATOM 1026 OE1 GLU A 68 13.176 3.130 -9.589 1.00 0.00 O ATOM 1027 OE2 GLU A 68 11.416 2.681 -10.747 1.00 0.00 O ATOM 0 H GLU A 68 9.161 1.363 -8.063 1.00 0.00 H new ATOM 0 HA GLU A 68 11.713 0.479 -8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.887 2.137 -6.525 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.510 2.045 -7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.057 3.052 -8.712 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.280 4.080 -7.991 1.00 0.00 H new ATOM 1034 N GLU A 69 10.489 -1.125 -6.498 1.00 0.00 N ATOM 1035 CA GLU A 69 10.701 -2.199 -5.530 1.00 0.00 C ATOM 1036 C GLU A 69 9.515 -3.152 -5.585 1.00 0.00 C ATOM 1037 O GLU A 69 8.459 -2.878 -5.018 1.00 0.00 O ATOM 1038 CB GLU A 69 10.836 -1.629 -4.107 1.00 0.00 C ATOM 1039 CG GLU A 69 11.927 -2.382 -3.329 1.00 0.00 C ATOM 1040 CD GLU A 69 13.319 -1.878 -3.715 1.00 0.00 C ATOM 1041 OE1 GLU A 69 13.700 -2.059 -4.859 1.00 0.00 O ATOM 1042 OE2 GLU A 69 13.990 -1.332 -2.856 1.00 0.00 O ATOM 0 H GLU A 69 9.508 -0.928 -6.695 1.00 0.00 H new ATOM 0 HA GLU A 69 11.622 -2.727 -5.779 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.081 -0.568 -4.155 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.884 -1.712 -3.583 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.772 -2.250 -2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.853 -3.450 -3.533 1.00 0.00 H new ATOM 1049 N VAL A 70 9.710 -4.252 -6.305 1.00 0.00 N ATOM 1050 CA VAL A 70 8.681 -5.271 -6.507 1.00 0.00 C ATOM 1051 C VAL A 70 7.809 -4.887 -7.703 1.00 0.00 C ATOM 1052 O VAL A 70 6.702 -4.371 -7.543 1.00 0.00 O ATOM 1053 CB VAL A 70 7.810 -5.426 -5.258 1.00 0.00 C ATOM 1054 CG1 VAL A 70 6.952 -6.686 -5.384 1.00 0.00 C ATOM 1055 CG2 VAL A 70 8.690 -5.542 -4.005 1.00 0.00 C ATOM 0 H VAL A 70 10.593 -4.465 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 70 9.172 -6.225 -6.701 1.00 0.00 H new ATOM 0 HB VAL A 70 7.171 -4.548 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.332 -6.795 -4.494 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.313 -6.605 -6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.598 -7.558 -5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.057 -5.652 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.339 -6.413 -4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.299 -4.644 -3.904 1.00 0.00 H new ATOM 1065 N PRO A 71 8.303 -5.119 -8.896 1.00 0.00 N ATOM 1066 CA PRO A 71 7.578 -4.787 -10.155 1.00 0.00 C ATOM 1067 C PRO A 71 6.424 -5.749 -10.435 1.00 0.00 C ATOM 1068 O PRO A 71 5.825 -6.298 -9.508 1.00 0.00 O ATOM 1069 CB PRO A 71 8.657 -4.861 -11.253 1.00 0.00 C ATOM 1070 CG PRO A 71 9.946 -5.226 -10.577 1.00 0.00 C ATOM 1071 CD PRO A 71 9.605 -5.729 -9.176 1.00 0.00 C ATOM 0 HA PRO A 71 7.108 -3.805 -10.100 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.392 -5.604 -12.005 1.00 0.00 H new ATOM 0 HB3 PRO A 71 8.749 -3.905 -11.768 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.471 -5.995 -11.143 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.608 -4.362 -10.523 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.553 -6.817 -9.143 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.356 -5.423 -8.447 1.00 0.00 H new ATOM 1079 N GLY A 72 6.107 -5.931 -11.715 1.00 0.00 N ATOM 1080 CA GLY A 72 5.011 -6.811 -12.107 1.00 0.00 C ATOM 1081 C GLY A 72 3.703 -6.030 -12.135 1.00 0.00 C ATOM 1082 O GLY A 72 2.742 -6.421 -12.800 1.00 0.00 O ATOM 0 H GLY A 72 6.591 -5.483 -12.493 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.210 -7.239 -13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 72 4.933 -7.643 -11.407 1.00 0.00 H new ATOM 1086 N VAL A 73 3.684 -4.914 -11.405 1.00 0.00 N ATOM 1087 CA VAL A 73 2.504 -4.061 -11.337 1.00 0.00 C ATOM 1088 C VAL A 73 2.224 -3.440 -12.694 1.00 0.00 C ATOM 1089 O VAL A 73 3.145 -3.081 -13.432 1.00 0.00 O ATOM 1090 CB VAL A 73 2.706 -2.964 -10.280 1.00 0.00 C ATOM 1091 CG1 VAL A 73 1.674 -1.844 -10.470 1.00 0.00 C ATOM 1092 CG2 VAL A 73 2.535 -3.572 -8.885 1.00 0.00 C ATOM 0 H VAL A 73 4.475 -4.582 -10.853 1.00 0.00 H new ATOM 0 HA VAL A 73 1.647 -4.670 -11.051 1.00 0.00 H new ATOM 0 HB VAL A 73 3.707 -2.547 -10.389 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.829 -1.074 -9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.789 -1.407 -11.462 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.669 -2.254 -10.369 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.677 -2.798 -8.131 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.533 -3.991 -8.791 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.273 -4.361 -8.739 1.00 0.00 H new ATOM 1102 N ILE A 74 0.942 -3.334 -13.013 1.00 0.00 N ATOM 1103 CA ILE A 74 0.513 -2.775 -14.285 1.00 0.00 C ATOM 1104 C ILE A 74 -0.373 -1.558 -14.056 1.00 0.00 C ATOM 1105 O ILE A 74 -0.293 -0.569 -14.787 1.00 0.00 O ATOM 1106 CB ILE A 74 -0.271 -3.832 -15.071 1.00 0.00 C ATOM 1107 CG1 ILE A 74 0.060 -5.235 -14.535 1.00 0.00 C ATOM 1108 CG2 ILE A 74 0.102 -3.742 -16.548 1.00 0.00 C ATOM 1109 CD1 ILE A 74 -0.608 -6.303 -15.407 1.00 0.00 C ATOM 0 H ILE A 74 0.178 -3.630 -12.405 1.00 0.00 H new ATOM 0 HA ILE A 74 1.394 -2.472 -14.851 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.340 -3.652 -14.954 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.140 -5.384 -14.527 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.283 -5.329 -13.505 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.454 -4.493 -17.110 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.144 -2.750 -16.926 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.171 -3.919 -16.665 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.367 -7.293 -15.019 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.689 -6.161 -15.393 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.244 -6.217 -16.431 1.00 0.00 H new ATOM 1121 N GLU A 75 -1.226 -1.649 -13.038 1.00 0.00 N ATOM 1122 CA GLU A 75 -2.142 -0.563 -12.710 1.00 0.00 C ATOM 1123 C GLU A 75 -2.719 -0.768 -11.310 1.00 0.00 C ATOM 1124 O GLU A 75 -3.530 -1.669 -11.089 1.00 0.00 O ATOM 1125 CB GLU A 75 -3.277 -0.516 -13.743 1.00 0.00 C ATOM 1126 CG GLU A 75 -3.690 0.936 -14.003 1.00 0.00 C ATOM 1127 CD GLU A 75 -4.916 0.981 -14.916 1.00 0.00 C ATOM 1128 OE1 GLU A 75 -4.907 0.295 -15.926 1.00 0.00 O ATOM 1129 OE2 GLU A 75 -5.844 1.704 -14.593 1.00 0.00 O ATOM 0 H GLU A 75 -1.301 -2.463 -12.428 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.598 0.381 -12.731 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.953 -0.982 -14.673 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -4.132 -1.087 -13.382 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.912 1.433 -13.059 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.865 1.480 -14.463 1.00 0.00 H new ATOM 1136 N VAL A 76 -2.292 0.069 -10.366 1.00 0.00 N ATOM 1137 CA VAL A 76 -2.772 -0.037 -8.990 1.00 0.00 C ATOM 1138 C VAL A 76 -4.097 0.699 -8.832 1.00 0.00 C ATOM 1139 O VAL A 76 -4.579 1.338 -9.768 1.00 0.00 O ATOM 1140 CB VAL A 76 -1.731 0.551 -8.027 1.00 0.00 C ATOM 1141 CG1 VAL A 76 -1.728 2.079 -8.137 1.00 0.00 C ATOM 1142 CG2 VAL A 76 -2.068 0.142 -6.587 1.00 0.00 C ATOM 0 H VAL A 76 -1.621 0.821 -10.526 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.926 -1.090 -8.754 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.745 0.168 -8.290 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.988 2.492 -7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.480 2.370 -9.158 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.715 2.464 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.327 0.561 -5.907 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.056 0.519 -6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.061 -0.945 -6.506 1.00 0.00 H new ATOM 1152 N GLU A 77 -4.676 0.606 -7.641 1.00 0.00 N ATOM 1153 CA GLU A 77 -5.944 1.263 -7.356 1.00 0.00 C ATOM 1154 C GLU A 77 -5.990 1.697 -5.892 1.00 0.00 C ATOM 1155 O GLU A 77 -6.503 0.976 -5.035 1.00 0.00 O ATOM 1156 CB GLU A 77 -7.106 0.305 -7.655 1.00 0.00 C ATOM 1157 CG GLU A 77 -7.533 0.446 -9.119 1.00 0.00 C ATOM 1158 CD GLU A 77 -8.510 -0.667 -9.488 1.00 0.00 C ATOM 1159 OE1 GLU A 77 -8.131 -1.822 -9.381 1.00 0.00 O ATOM 1160 OE2 GLU A 77 -9.625 -0.350 -9.871 1.00 0.00 O ATOM 0 H GLU A 77 -4.287 0.082 -6.857 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.037 2.145 -7.989 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.803 -0.722 -7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.948 0.524 -6.999 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.000 1.418 -9.278 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.658 0.403 -9.767 1.00 0.00 H new ATOM 1167 N GLN A 78 -5.446 2.882 -5.613 1.00 0.00 N ATOM 1168 CA GLN A 78 -5.427 3.408 -4.249 1.00 0.00 C ATOM 1169 C GLN A 78 -6.503 4.477 -4.082 1.00 0.00 C ATOM 1170 O GLN A 78 -6.267 5.660 -4.336 1.00 0.00 O ATOM 1171 CB GLN A 78 -4.045 4.000 -3.929 1.00 0.00 C ATOM 1172 CG GLN A 78 -3.742 3.839 -2.434 1.00 0.00 C ATOM 1173 CD GLN A 78 -4.951 4.247 -1.598 1.00 0.00 C ATOM 1174 OE1 GLN A 78 -5.735 3.396 -1.192 1.00 0.00 O ATOM 1175 NE2 GLN A 78 -5.155 5.505 -1.323 1.00 0.00 N ATOM 0 H GLN A 78 -5.016 3.492 -6.308 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.631 2.591 -3.557 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -3.279 3.498 -4.520 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.019 5.055 -4.203 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -3.477 2.804 -2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.882 4.451 -2.163 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.503 6.213 -1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.967 5.781 -0.770 1.00 0.00 H new ATOM 1184 N VAL A 79 -7.689 4.047 -3.663 1.00 0.00 N ATOM 1185 CA VAL A 79 -8.806 4.968 -3.472 1.00 0.00 C ATOM 1186 C VAL A 79 -8.878 5.454 -2.024 1.00 0.00 C ATOM 1187 O VAL A 79 -8.116 5.003 -1.166 1.00 0.00 O ATOM 1188 CB VAL A 79 -10.123 4.285 -3.866 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -10.021 3.767 -5.305 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -10.409 3.108 -2.925 1.00 0.00 C ATOM 0 H VAL A 79 -7.902 3.072 -3.450 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.646 5.835 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.933 5.010 -3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.956 3.282 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.829 4.602 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.205 3.048 -5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.346 2.631 -3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.597 2.384 -2.991 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.488 3.472 -1.901 1.00 0.00 H new ATOM 1200 N PHE A 80 -9.797 6.384 -1.764 1.00 0.00 N ATOM 1201 CA PHE A 80 -9.971 6.939 -0.421 1.00 0.00 C ATOM 1202 C PHE A 80 -11.120 6.248 0.305 1.00 0.00 C ATOM 1203 O PHE A 80 -11.936 5.561 -0.311 1.00 0.00 O ATOM 1204 CB PHE A 80 -10.249 8.445 -0.511 1.00 0.00 C ATOM 1205 CG PHE A 80 -9.349 9.063 -1.555 1.00 0.00 C ATOM 1206 CD1 PHE A 80 -8.013 9.350 -1.250 1.00 0.00 C ATOM 1207 CD2 PHE A 80 -9.851 9.345 -2.830 1.00 0.00 C ATOM 1208 CE1 PHE A 80 -7.179 9.919 -2.220 1.00 0.00 C ATOM 1209 CE2 PHE A 80 -9.019 9.915 -3.800 1.00 0.00 C ATOM 1210 CZ PHE A 80 -7.683 10.202 -3.495 1.00 0.00 C ATOM 0 H PHE A 80 -10.432 6.769 -2.464 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.053 6.771 0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -11.294 8.618 -0.768 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -10.077 8.916 0.457 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -7.625 9.132 -0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.881 9.123 -3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -6.148 10.139 -1.985 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.407 10.134 -4.784 1.00 0.00 H new ATOM 0 HZ PHE A 80 -7.041 10.642 -4.244 1.00 0.00 H new