USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 826 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 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 20 TYR OH : rot -26:sc= 0.134 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -2.11 K(o=-2.1,f=-11!) USER MOD Single : A 25 THR OG1 : rot -50:sc= 1.52 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 54 HIS : no HD1:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -4.42! C(o=-4.4!,f=-4.9!) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= -0.303 (180deg=-0.51) USER MOD Single : A 79 SER OG : rot 66:sc= 0.922 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -19:sc= -0.419 USER MOD Single : A 92 HIS : no HD1:sc= -1.29 X(o=-1.3,f=-1.5!) USER MOD Single : A 95 LYS NZ :NH3+ -137:sc= 0 (180deg=-1.56!) USER MOD Single : A 97 ASN : amide:sc= -0.441 K(o=-0.44,f=-1.1) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 138:sc= -0.393 (180deg=-1.97) USER MOD Single : A 103 ASN : amide:sc= -0.04 K(o=-0.04,f=-8.5!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -51:sc= 0.0102 USER MOD ----------------------------------------------------------------- ATOM 142 N ASN A 13 -10.107 -4.788 10.333 1.00 0.00 N ATOM 143 CA ASN A 13 -10.543 -5.538 9.161 1.00 0.00 C ATOM 144 C ASN A 13 -9.474 -5.514 8.072 1.00 0.00 C ATOM 145 O ASN A 13 -9.781 -5.602 6.884 1.00 0.00 O ATOM 146 CB ASN A 13 -11.852 -4.961 8.618 1.00 0.00 C ATOM 147 CG ASN A 13 -13.041 -5.297 9.498 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.944 -6.026 9.088 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.045 -4.765 10.715 1.00 0.00 N ATOM 0 HA ASN A 13 -10.707 -6.572 9.463 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.761 -3.878 8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.027 -5.346 7.613 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.818 -4.955 11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.275 -4.166 11.012 1.00 0.00 H new ATOM 156 N GLY A 14 -8.217 -5.395 8.488 1.00 0.00 N ATOM 157 CA GLY A 14 -7.121 -5.362 7.536 1.00 0.00 C ATOM 158 C GLY A 14 -6.395 -6.689 7.443 1.00 0.00 C ATOM 159 O GLY A 14 -6.750 -7.648 8.128 1.00 0.00 O ATOM 0 H GLY A 14 -7.938 -5.321 9.466 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.506 -5.092 6.553 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.415 -4.584 7.826 1.00 0.00 H new ATOM 163 N ALA A 15 -5.376 -6.746 6.591 1.00 0.00 N ATOM 164 CA ALA A 15 -4.598 -7.965 6.410 1.00 0.00 C ATOM 165 C ALA A 15 -3.139 -7.747 6.795 1.00 0.00 C ATOM 166 O ALA A 15 -2.453 -6.905 6.216 1.00 0.00 O ATOM 167 CB ALA A 15 -4.700 -8.448 4.971 1.00 0.00 C ATOM 0 H ALA A 15 -5.070 -5.961 6.015 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.010 -8.730 7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.114 -9.359 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.743 -8.653 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.316 -7.679 4.301 1.00 0.00 H new ATOM 173 N ASP A 16 -2.671 -8.511 7.776 1.00 0.00 N ATOM 174 CA ASP A 16 -1.292 -8.402 8.238 1.00 0.00 C ATOM 175 C ASP A 16 -0.340 -9.110 7.280 1.00 0.00 C ATOM 176 O ASP A 16 -0.304 -10.340 7.219 1.00 0.00 O ATOM 177 CB ASP A 16 -1.154 -8.992 9.643 1.00 0.00 C ATOM 178 CG ASP A 16 0.292 -9.105 10.084 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.898 -8.062 10.405 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.817 -10.238 10.107 1.00 0.00 O ATOM 0 H ASP A 16 -3.226 -9.212 8.266 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.028 -7.345 8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.699 -8.368 10.351 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.616 -9.979 9.666 1.00 0.00 H new ATOM 185 N LEU A 17 0.430 -8.326 6.532 1.00 0.00 N ATOM 186 CA LEU A 17 1.382 -8.878 5.575 1.00 0.00 C ATOM 187 C LEU A 17 2.815 -8.693 6.064 1.00 0.00 C ATOM 188 O LEU A 17 3.124 -7.774 6.822 1.00 0.00 O ATOM 189 CB LEU A 17 1.207 -8.211 4.209 1.00 0.00 C ATOM 190 CG LEU A 17 -0.199 -7.706 3.884 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.132 -6.497 2.965 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.030 -8.813 3.253 1.00 0.00 C ATOM 0 H LEU A 17 0.413 -7.307 6.570 1.00 0.00 H new ATOM 0 HA LEU A 17 1.185 -9.946 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.897 -7.369 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.503 -8.923 3.439 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.680 -7.403 4.814 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.142 -6.151 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.426 -5.699 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.368 -6.773 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.028 -8.436 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.552 -9.147 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.106 -9.651 3.946 1.00 0.00 H new ATOM 204 N PRO A 18 3.712 -9.585 5.620 1.00 0.00 N ATOM 205 CA PRO A 18 5.128 -9.540 5.997 1.00 0.00 C ATOM 206 C PRO A 18 5.856 -8.352 5.377 1.00 0.00 C ATOM 207 O PRO A 18 6.887 -7.911 5.882 1.00 0.00 O ATOM 208 CB PRO A 18 5.684 -10.855 5.447 1.00 0.00 C ATOM 209 CG PRO A 18 4.776 -11.209 4.320 1.00 0.00 C ATOM 210 CD PRO A 18 3.414 -10.707 4.714 1.00 0.00 C ATOM 0 HA PRO A 18 5.260 -9.423 7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.712 -10.738 5.105 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.689 -11.633 6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.109 -10.747 3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.762 -12.286 4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.840 -10.381 3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.829 -11.481 5.212 1.00 0.00 H new ATOM 218 N ASN A 19 5.311 -7.839 4.278 1.00 0.00 N ATOM 219 CA ASN A 19 5.909 -6.702 3.588 1.00 0.00 C ATOM 220 C ASN A 19 5.388 -5.385 4.156 1.00 0.00 C ATOM 221 O ASN A 19 6.114 -4.393 4.219 1.00 0.00 O ATOM 222 CB ASN A 19 5.615 -6.776 2.089 1.00 0.00 C ATOM 223 CG ASN A 19 6.586 -7.678 1.352 1.00 0.00 C ATOM 224 OD1 ASN A 19 6.470 -8.903 1.399 1.00 0.00 O ATOM 225 ND2 ASN A 19 7.551 -7.075 0.668 1.00 0.00 N ATOM 0 H ASN A 19 4.457 -8.193 3.847 1.00 0.00 H new ATOM 0 HA ASN A 19 6.987 -6.742 3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.599 -7.141 1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.660 -5.774 1.663 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.235 -7.630 0.153 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.609 -6.057 0.657 1.00 0.00 H new ATOM 232 N TYR A 20 4.125 -5.384 4.569 1.00 0.00 N ATOM 233 CA TYR A 20 3.505 -4.190 5.130 1.00 0.00 C ATOM 234 C TYR A 20 2.128 -4.509 5.702 1.00 0.00 C ATOM 235 O TYR A 20 1.495 -5.492 5.316 1.00 0.00 O ATOM 236 CB TYR A 20 3.386 -3.102 4.061 1.00 0.00 C ATOM 237 CG TYR A 20 2.850 -3.606 2.741 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.495 -3.867 2.573 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.697 -3.823 1.661 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.001 -4.328 1.368 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.211 -4.283 0.453 1.00 0.00 C ATOM 242 CZ TYR A 20 1.863 -4.534 0.311 1.00 0.00 C ATOM 243 OH TYR A 20 1.375 -4.994 -0.891 1.00 0.00 O ATOM 0 H TYR A 20 3.511 -6.197 4.526 1.00 0.00 H new ATOM 0 HA TYR A 20 4.139 -3.828 5.939 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.733 -2.311 4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.367 -2.655 3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.817 -3.707 3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.754 -3.628 1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.055 -4.526 1.254 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.884 -4.445 -0.376 1.00 0.00 H new ATOM 0 HH TYR A 20 0.553 -5.505 -0.736 1.00 0.00 H new ATOM 253 N ARG A 21 1.669 -3.670 6.626 1.00 0.00 N ATOM 254 CA ARG A 21 0.368 -3.862 7.254 1.00 0.00 C ATOM 255 C ARG A 21 -0.551 -2.676 6.973 1.00 0.00 C ATOM 256 O ARG A 21 -0.129 -1.522 7.042 1.00 0.00 O ATOM 257 CB ARG A 21 0.528 -4.050 8.763 1.00 0.00 C ATOM 258 CG ARG A 21 1.141 -2.850 9.465 1.00 0.00 C ATOM 259 CD ARG A 21 1.791 -3.246 10.781 1.00 0.00 C ATOM 260 NE ARG A 21 0.818 -3.342 11.866 1.00 0.00 N ATOM 261 CZ ARG A 21 1.154 -3.444 13.147 1.00 0.00 C ATOM 262 NH1 ARG A 21 2.431 -3.463 13.502 1.00 0.00 N ATOM 263 NH2 ARG A 21 0.210 -3.526 14.077 1.00 0.00 N ATOM 0 H ARG A 21 2.180 -2.851 6.956 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.083 -4.759 6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.449 -4.256 9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.151 -4.925 8.947 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.884 -2.388 8.815 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.370 -2.102 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.296 -4.204 10.662 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.555 -2.514 11.043 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.174 -3.330 11.627 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.159 -3.399 12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.685 -3.541 14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.774 -3.511 13.808 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.469 -3.604 15.061 1.00 0.00 H new ATOM 277 N TRP A 22 -1.807 -2.970 6.656 1.00 0.00 N ATOM 278 CA TRP A 22 -2.785 -1.927 6.365 1.00 0.00 C ATOM 279 C TRP A 22 -4.151 -2.287 6.938 1.00 0.00 C ATOM 280 O TRP A 22 -4.488 -3.463 7.076 1.00 0.00 O ATOM 281 CB TRP A 22 -2.893 -1.709 4.854 1.00 0.00 C ATOM 282 CG TRP A 22 -3.388 -2.915 4.114 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.627 -3.894 3.541 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.753 -3.268 3.866 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.438 -4.834 2.951 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.746 -4.473 3.138 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.981 -2.684 4.191 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -5.919 -5.103 2.729 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.144 -3.310 3.784 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.106 -4.509 3.060 1.00 0.00 C ATOM 0 H TRP A 22 -2.172 -3.920 6.594 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.447 -1.004 6.835 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.565 -0.873 4.662 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.915 -1.428 4.464 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.547 -3.925 3.550 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.118 -5.665 2.454 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.020 -1.761 4.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -5.892 -6.027 2.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.098 -2.867 4.028 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.033 -4.974 2.757 1.00 0.00 H new ATOM 301 N THR A 23 -4.936 -1.267 7.271 1.00 0.00 N ATOM 302 CA THR A 23 -6.265 -1.476 7.830 1.00 0.00 C ATOM 303 C THR A 23 -7.325 -0.738 7.021 1.00 0.00 C ATOM 304 O THR A 23 -7.002 0.092 6.170 1.00 0.00 O ATOM 305 CB THR A 23 -6.337 -1.009 9.296 1.00 0.00 C ATOM 306 OG1 THR A 23 -5.802 0.314 9.416 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.569 -1.956 10.205 1.00 0.00 C ATOM 0 H THR A 23 -4.674 -0.287 7.163 1.00 0.00 H new ATOM 0 HA THR A 23 -6.461 -2.547 7.787 1.00 0.00 H new ATOM 0 HB THR A 23 -7.383 -1.007 9.602 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.853 0.604 10.351 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.635 -1.605 11.235 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.998 -2.956 10.134 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.524 -1.987 9.898 1.00 0.00 H new ATOM 315 N GLN A 24 -8.589 -1.044 7.291 1.00 0.00 N ATOM 316 CA GLN A 24 -9.696 -0.408 6.586 1.00 0.00 C ATOM 317 C GLN A 24 -10.874 -0.168 7.526 1.00 0.00 C ATOM 318 O GLN A 24 -11.256 -1.048 8.298 1.00 0.00 O ATOM 319 CB GLN A 24 -10.140 -1.272 5.404 1.00 0.00 C ATOM 320 CG GLN A 24 -10.663 -2.640 5.813 1.00 0.00 C ATOM 321 CD GLN A 24 -11.314 -3.383 4.663 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.311 -2.930 4.101 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.751 -4.532 4.307 1.00 0.00 N ATOM 0 H GLN A 24 -8.873 -1.728 7.992 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.350 0.556 6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.918 -0.745 4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.298 -1.402 4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.840 -3.237 6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.386 -2.522 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.925 -4.870 4.801 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -11.145 -5.077 3.540 1.00 0.00 H new ATOM 332 N THR A 25 -11.446 1.030 7.455 1.00 0.00 N ATOM 333 CA THR A 25 -12.578 1.387 8.300 1.00 0.00 C ATOM 334 C THR A 25 -13.664 2.091 7.495 1.00 0.00 C ATOM 335 O THR A 25 -13.372 2.854 6.573 1.00 0.00 O ATOM 336 CB THR A 25 -12.146 2.297 9.465 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.690 3.557 8.958 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.041 1.644 10.282 1.00 0.00 C ATOM 0 H THR A 25 -11.143 1.769 6.821 1.00 0.00 H new ATOM 0 HA THR A 25 -12.975 0.456 8.705 1.00 0.00 H new ATOM 0 HB THR A 25 -13.009 2.456 10.112 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.031 3.405 8.248 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.753 2.306 11.099 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.400 0.699 10.690 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.177 1.459 9.643 1.00 0.00 H new ATOM 346 N LEU A 26 -14.918 1.833 7.850 1.00 0.00 N ATOM 347 CA LEU A 26 -16.049 2.444 7.160 1.00 0.00 C ATOM 348 C LEU A 26 -15.801 3.929 6.917 1.00 0.00 C ATOM 349 O LEU A 26 -16.399 4.531 6.025 1.00 0.00 O ATOM 350 CB LEU A 26 -17.330 2.257 7.975 1.00 0.00 C ATOM 351 CG LEU A 26 -18.089 0.950 7.740 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.323 0.883 8.627 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.476 0.813 6.275 1.00 0.00 C ATOM 0 H LEU A 26 -15.177 1.205 8.611 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.164 1.951 6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.077 2.322 9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.001 3.088 7.756 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.433 0.120 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.851 -0.054 8.446 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.022 0.934 9.673 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.982 1.721 8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.015 -0.123 6.127 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.114 1.649 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.577 0.815 5.659 1.00 0.00 H new ATOM 365 N ALA A 27 -14.914 4.514 7.715 1.00 0.00 N ATOM 366 CA ALA A 27 -14.583 5.928 7.583 1.00 0.00 C ATOM 367 C ALA A 27 -13.513 6.144 6.518 1.00 0.00 C ATOM 368 O ALA A 27 -13.722 6.886 5.559 1.00 0.00 O ATOM 369 CB ALA A 27 -14.121 6.488 8.920 1.00 0.00 C ATOM 0 H ALA A 27 -14.412 4.031 8.460 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.482 6.459 7.270 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.877 7.544 8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.917 6.376 9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.237 5.945 9.256 1.00 0.00 H new ATOM 375 N GLU A 28 -12.368 5.493 6.695 1.00 0.00 N ATOM 376 CA GLU A 28 -11.266 5.617 5.749 1.00 0.00 C ATOM 377 C GLU A 28 -10.318 4.426 5.859 1.00 0.00 C ATOM 378 O GLU A 28 -10.475 3.572 6.732 1.00 0.00 O ATOM 379 CB GLU A 28 -10.498 6.918 5.993 1.00 0.00 C ATOM 380 CG GLU A 28 -10.072 7.111 7.438 1.00 0.00 C ATOM 381 CD GLU A 28 -9.989 8.573 7.832 1.00 0.00 C ATOM 382 OE1 GLU A 28 -10.758 9.383 7.274 1.00 0.00 O ATOM 383 OE2 GLU A 28 -9.154 8.906 8.699 1.00 0.00 O ATOM 0 H GLU A 28 -12.180 4.875 7.484 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.685 5.634 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.613 6.932 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.121 7.760 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.780 6.602 8.092 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.101 6.641 7.592 1.00 0.00 H new ATOM 390 N LEU A 29 -9.334 4.376 4.967 1.00 0.00 N ATOM 391 CA LEU A 29 -8.360 3.290 4.963 1.00 0.00 C ATOM 392 C LEU A 29 -6.979 3.796 5.369 1.00 0.00 C ATOM 393 O LEU A 29 -6.713 4.997 5.336 1.00 0.00 O ATOM 394 CB LEU A 29 -8.292 2.645 3.578 1.00 0.00 C ATOM 395 CG LEU A 29 -7.892 1.170 3.543 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.550 0.466 2.366 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.379 1.029 3.474 1.00 0.00 C ATOM 0 H LEU A 29 -9.190 5.075 4.238 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.682 2.544 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.268 2.747 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.582 3.208 2.972 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.239 0.697 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.254 -0.583 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.634 0.536 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.235 0.940 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.113 -0.028 3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.009 1.517 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.930 1.496 4.350 1.00 0.00 H new ATOM 409 N ASP A 30 -6.105 2.871 5.750 1.00 0.00 N ATOM 410 CA ASP A 30 -4.750 3.223 6.159 1.00 0.00 C ATOM 411 C ASP A 30 -3.759 2.138 5.747 1.00 0.00 C ATOM 412 O ASP A 30 -4.083 0.950 5.758 1.00 0.00 O ATOM 413 CB ASP A 30 -4.691 3.436 7.673 1.00 0.00 C ATOM 414 CG ASP A 30 -3.628 4.439 8.075 1.00 0.00 C ATOM 415 OD1 ASP A 30 -3.724 5.608 7.646 1.00 0.00 O ATOM 416 OD2 ASP A 30 -2.700 4.056 8.817 1.00 0.00 O ATOM 0 H ASP A 30 -6.310 1.872 5.784 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.475 4.151 5.658 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.663 3.780 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.492 2.483 8.164 1.00 0.00 H new ATOM 421 N LEU A 31 -2.552 2.555 5.382 1.00 0.00 N ATOM 422 CA LEU A 31 -1.513 1.620 4.965 1.00 0.00 C ATOM 423 C LEU A 31 -0.173 1.975 5.599 1.00 0.00 C ATOM 424 O LEU A 31 0.247 3.132 5.580 1.00 0.00 O ATOM 425 CB LEU A 31 -1.384 1.617 3.440 1.00 0.00 C ATOM 426 CG LEU A 31 -0.011 1.242 2.884 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.320 -0.206 3.209 1.00 0.00 C ATOM 428 CD2 LEU A 31 0.039 1.478 1.381 1.00 0.00 C ATOM 0 H LEU A 31 -2.268 3.535 5.366 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.800 0.624 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.120 0.923 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.645 2.609 3.071 1.00 0.00 H new ATOM 0 HG LEU A 31 0.737 1.879 3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.301 -0.454 2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.327 -0.344 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.431 -0.859 2.765 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.024 1.206 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.720 0.867 0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.152 2.531 1.171 1.00 0.00 H new ATOM 440 N ALA A 32 0.496 0.973 6.159 1.00 0.00 N ATOM 441 CA ALA A 32 1.791 1.179 6.796 1.00 0.00 C ATOM 442 C ALA A 32 2.854 0.274 6.183 1.00 0.00 C ATOM 443 O ALA A 32 2.750 -0.951 6.242 1.00 0.00 O ATOM 444 CB ALA A 32 1.687 0.936 8.294 1.00 0.00 C ATOM 0 H ALA A 32 0.162 0.009 6.185 1.00 0.00 H new ATOM 0 HA ALA A 32 2.091 2.213 6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.661 1.093 8.757 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.964 1.628 8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.361 -0.088 8.475 1.00 0.00 H new ATOM 450 N VAL A 33 3.877 0.885 5.594 1.00 0.00 N ATOM 451 CA VAL A 33 4.960 0.134 4.970 1.00 0.00 C ATOM 452 C VAL A 33 6.260 0.294 5.750 1.00 0.00 C ATOM 453 O VAL A 33 6.981 1.282 5.607 1.00 0.00 O ATOM 454 CB VAL A 33 5.188 0.582 3.515 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.402 -0.119 2.924 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.948 0.316 2.675 1.00 0.00 C ATOM 0 H VAL A 33 3.979 1.898 5.536 1.00 0.00 H new ATOM 0 HA VAL A 33 4.663 -0.915 4.976 1.00 0.00 H new ATOM 0 HB VAL A 33 5.379 1.655 3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.547 0.210 1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.286 0.127 3.512 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.244 -1.197 2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.127 0.639 1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.723 -0.751 2.686 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.104 0.869 3.087 1.00 0.00 H new ATOM 466 N PRO A 34 6.570 -0.700 6.595 1.00 0.00 N ATOM 467 CA PRO A 34 7.785 -0.693 7.414 1.00 0.00 C ATOM 468 C PRO A 34 9.048 -0.878 6.580 1.00 0.00 C ATOM 469 O PRO A 34 9.188 -1.866 5.859 1.00 0.00 O ATOM 470 CB PRO A 34 7.587 -1.885 8.354 1.00 0.00 C ATOM 471 CG PRO A 34 6.665 -2.797 7.620 1.00 0.00 C ATOM 472 CD PRO A 34 5.757 -1.908 6.816 1.00 0.00 C ATOM 0 HA PRO A 34 7.922 0.257 7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.535 -2.375 8.577 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.159 -1.572 9.306 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.221 -3.475 6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.093 -3.414 8.313 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.468 -2.375 5.875 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.837 -1.680 7.355 1.00 0.00 H new ATOM 480 N PHE A 35 9.965 0.078 6.682 1.00 0.00 N ATOM 481 CA PHE A 35 11.216 0.021 5.935 1.00 0.00 C ATOM 482 C PHE A 35 12.404 -0.146 6.878 1.00 0.00 C ATOM 483 O PHE A 35 12.539 0.585 7.859 1.00 0.00 O ATOM 484 CB PHE A 35 11.391 1.287 5.094 1.00 0.00 C ATOM 485 CG PHE A 35 10.361 1.434 4.011 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.432 0.665 2.860 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.323 2.341 4.143 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.486 0.799 1.862 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.373 2.480 3.148 1.00 0.00 C ATOM 490 CZ PHE A 35 8.455 1.707 2.006 1.00 0.00 C ATOM 0 H PHE A 35 9.865 0.902 7.275 1.00 0.00 H new ATOM 0 HA PHE A 35 11.176 -0.843 5.272 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.345 2.158 5.748 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.383 1.279 4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.236 -0.047 2.742 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.255 2.947 5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.553 0.194 0.970 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.569 3.191 3.263 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.714 1.812 1.227 1.00 0.00 H new ATOM 500 N ARG A 36 13.264 -1.112 6.572 1.00 0.00 N ATOM 501 CA ARG A 36 14.440 -1.377 7.392 1.00 0.00 C ATOM 502 C ARG A 36 15.530 -0.343 7.128 1.00 0.00 C ATOM 503 O ARG A 36 16.622 -0.679 6.668 1.00 0.00 O ATOM 504 CB ARG A 36 14.976 -2.782 7.113 1.00 0.00 C ATOM 505 CG ARG A 36 15.290 -3.035 5.648 1.00 0.00 C ATOM 506 CD ARG A 36 16.043 -4.342 5.457 1.00 0.00 C ATOM 507 NE ARG A 36 15.150 -5.498 5.488 1.00 0.00 N ATOM 508 CZ ARG A 36 15.518 -6.721 5.122 1.00 0.00 C ATOM 509 NH1 ARG A 36 16.754 -6.946 4.699 1.00 0.00 N ATOM 510 NH2 ARG A 36 14.648 -7.721 5.179 1.00 0.00 N ATOM 0 H ARG A 36 13.168 -1.724 5.762 1.00 0.00 H new ATOM 0 HA ARG A 36 14.145 -1.310 8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.879 -2.940 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.243 -3.515 7.450 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.363 -3.061 5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.885 -2.210 5.255 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.573 -4.319 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.796 -4.444 6.239 1.00 0.00 H new ATOM 0 HE ARG A 36 14.192 -5.358 5.808 1.00 0.00 H new ATOM 0 HH11 ARG A 36 17.425 -6.179 4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.034 -7.886 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.696 -7.551 5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 36 14.931 -8.660 4.898 1.00 0.00 H new ATOM 524 N VAL A 37 15.227 0.918 7.421 1.00 0.00 N ATOM 525 CA VAL A 37 16.181 2.001 7.216 1.00 0.00 C ATOM 526 C VAL A 37 16.961 2.295 8.493 1.00 0.00 C ATOM 527 O VAL A 37 16.420 2.217 9.595 1.00 0.00 O ATOM 528 CB VAL A 37 15.476 3.289 6.750 1.00 0.00 C ATOM 529 CG1 VAL A 37 14.810 3.074 5.400 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.462 3.746 7.788 1.00 0.00 C ATOM 0 H VAL A 37 14.328 1.214 7.801 1.00 0.00 H new ATOM 0 HA VAL A 37 16.872 1.672 6.439 1.00 0.00 H new ATOM 0 HB VAL A 37 16.225 4.073 6.638 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.317 3.994 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.563 2.797 4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.071 2.276 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.973 4.657 7.443 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.714 2.966 7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.971 3.943 8.732 1.00 0.00 H new ATOM 540 N SER A 38 18.237 2.634 8.335 1.00 0.00 N ATOM 541 CA SER A 38 19.093 2.937 9.476 1.00 0.00 C ATOM 542 C SER A 38 19.203 4.444 9.687 1.00 0.00 C ATOM 543 O SER A 38 20.132 4.925 10.337 1.00 0.00 O ATOM 544 CB SER A 38 20.485 2.337 9.269 1.00 0.00 C ATOM 545 OG SER A 38 20.527 0.986 9.695 1.00 0.00 O ATOM 0 H SER A 38 18.700 2.706 7.429 1.00 0.00 H new ATOM 0 HA SER A 38 18.643 2.495 10.365 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.758 2.398 8.215 1.00 0.00 H new ATOM 0 HB3 SER A 38 21.221 2.919 9.823 1.00 0.00 H new ATOM 0 HG SER A 38 21.427 0.625 9.551 1.00 0.00 H new ATOM 551 N PHE A 39 18.249 5.184 9.133 1.00 0.00 N ATOM 552 CA PHE A 39 18.238 6.637 9.259 1.00 0.00 C ATOM 553 C PHE A 39 16.809 7.172 9.258 1.00 0.00 C ATOM 554 O PHE A 39 15.849 6.409 9.150 1.00 0.00 O ATOM 555 CB PHE A 39 19.034 7.276 8.119 1.00 0.00 C ATOM 556 CG PHE A 39 18.569 6.855 6.754 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.911 5.613 6.244 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.790 7.701 5.983 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.486 5.225 4.988 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.361 7.318 4.726 1.00 0.00 C ATOM 561 CZ PHE A 39 17.708 6.077 4.228 1.00 0.00 C ATOM 0 H PHE A 39 17.473 4.802 8.592 1.00 0.00 H new ATOM 0 HA PHE A 39 18.705 6.897 10.209 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.963 8.361 8.200 1.00 0.00 H new ATOM 0 HB3 PHE A 39 20.087 7.017 8.232 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.516 4.941 6.835 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.514 8.672 6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.762 4.256 4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.755 7.988 4.134 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.372 5.774 3.247 1.00 0.00 H new ATOM 571 N ARG A 40 16.676 8.489 9.380 1.00 0.00 N ATOM 572 CA ARG A 40 15.365 9.127 9.395 1.00 0.00 C ATOM 573 C ARG A 40 14.847 9.336 7.975 1.00 0.00 C ATOM 574 O ARG A 40 15.521 9.939 7.138 1.00 0.00 O ATOM 575 CB ARG A 40 15.436 10.468 10.126 1.00 0.00 C ATOM 576 CG ARG A 40 14.087 10.960 10.627 1.00 0.00 C ATOM 577 CD ARG A 40 13.787 10.437 12.023 1.00 0.00 C ATOM 578 NE ARG A 40 12.560 11.011 12.571 1.00 0.00 N ATOM 579 CZ ARG A 40 12.474 12.252 13.035 1.00 0.00 C ATOM 580 NH1 ARG A 40 13.535 13.046 13.019 1.00 0.00 N ATOM 581 NH2 ARG A 40 11.322 12.702 13.518 1.00 0.00 N ATOM 0 H ARG A 40 17.460 9.135 9.470 1.00 0.00 H new ATOM 0 HA ARG A 40 14.674 8.470 9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.117 10.376 10.972 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.860 11.216 9.456 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.076 12.050 10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.303 10.639 9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.697 9.351 11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.622 10.668 12.684 1.00 0.00 H new ATOM 0 HE ARG A 40 11.724 10.427 12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.422 12.704 12.649 1.00 0.00 H new ATOM 0 HH12 ARG A 40 13.464 13.999 13.376 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.503 12.094 13.533 1.00 0.00 H new ATOM 0 HH22 ARG A 40 11.256 13.655 13.874 1.00 0.00 H new ATOM 595 N LEU A 41 13.645 8.835 7.710 1.00 0.00 N ATOM 596 CA LEU A 41 13.036 8.967 6.391 1.00 0.00 C ATOM 597 C LEU A 41 12.393 10.340 6.223 1.00 0.00 C ATOM 598 O LEU A 41 11.672 10.812 7.102 1.00 0.00 O ATOM 599 CB LEU A 41 11.988 7.872 6.180 1.00 0.00 C ATOM 600 CG LEU A 41 12.529 6.457 5.972 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.392 5.448 5.950 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.338 6.379 4.685 1.00 0.00 C ATOM 0 H LEU A 41 13.074 8.334 8.390 1.00 0.00 H new ATOM 0 HA LEU A 41 13.821 8.860 5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.323 7.862 7.044 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.382 8.139 5.314 1.00 0.00 H new ATOM 0 HG LEU A 41 13.186 6.214 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.797 4.447 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.855 5.485 6.898 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.708 5.688 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.715 5.365 4.553 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.703 6.643 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.176 7.074 4.739 1.00 0.00 H new ATOM 614 N LYS A 42 12.657 10.975 5.086 1.00 0.00 N ATOM 615 CA LYS A 42 12.103 12.293 4.799 1.00 0.00 C ATOM 616 C LYS A 42 11.090 12.221 3.660 1.00 0.00 C ATOM 617 O LYS A 42 11.275 11.476 2.699 1.00 0.00 O ATOM 618 CB LYS A 42 13.222 13.273 4.440 1.00 0.00 C ATOM 619 CG LYS A 42 14.307 13.371 5.498 1.00 0.00 C ATOM 620 CD LYS A 42 14.891 14.772 5.569 1.00 0.00 C ATOM 621 CE LYS A 42 16.360 14.744 5.964 1.00 0.00 C ATOM 622 NZ LYS A 42 17.089 15.946 5.474 1.00 0.00 N ATOM 0 H LYS A 42 13.252 10.598 4.348 1.00 0.00 H new ATOM 0 HA LYS A 42 11.592 12.648 5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.673 12.966 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.791 14.261 4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.895 13.098 6.469 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.099 12.656 5.275 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.783 15.262 4.601 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.330 15.365 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.443 14.686 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.828 13.846 5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.086 15.889 5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.032 15.988 4.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.659 16.802 5.879 1.00 0.00 H new ATOM 636 N GLY A 43 10.021 13.003 3.775 1.00 0.00 N ATOM 637 CA GLY A 43 8.996 13.013 2.747 1.00 0.00 C ATOM 638 C GLY A 43 9.576 12.923 1.349 1.00 0.00 C ATOM 639 O GLY A 43 9.040 12.224 0.490 1.00 0.00 O ATOM 0 H GLY A 43 9.846 13.629 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.315 12.177 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.407 13.926 2.835 1.00 0.00 H new ATOM 643 N LYS A 44 10.675 13.635 1.120 1.00 0.00 N ATOM 644 CA LYS A 44 11.329 13.634 -0.183 1.00 0.00 C ATOM 645 C LYS A 44 12.018 12.298 -0.445 1.00 0.00 C ATOM 646 O LYS A 44 12.073 11.830 -1.583 1.00 0.00 O ATOM 647 CB LYS A 44 12.350 14.771 -0.265 1.00 0.00 C ATOM 648 CG LYS A 44 13.585 14.542 0.588 1.00 0.00 C ATOM 649 CD LYS A 44 14.547 15.715 0.503 1.00 0.00 C ATOM 650 CE LYS A 44 15.989 15.269 0.689 1.00 0.00 C ATOM 651 NZ LYS A 44 16.322 15.052 2.124 1.00 0.00 N ATOM 0 H LYS A 44 11.131 14.220 1.820 1.00 0.00 H new ATOM 0 HA LYS A 44 10.565 13.784 -0.945 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.655 14.900 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.872 15.700 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.288 14.388 1.625 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.089 13.632 0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.439 16.206 -0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.292 16.452 1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.158 14.347 0.133 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.658 16.021 0.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.331 14.815 2.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.120 15.919 2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.748 14.270 2.499 1.00 0.00 H new ATOM 665 N ASP A 45 12.539 11.689 0.614 1.00 0.00 N ATOM 666 CA ASP A 45 13.222 10.406 0.498 1.00 0.00 C ATOM 667 C ASP A 45 12.277 9.333 -0.035 1.00 0.00 C ATOM 668 O ASP A 45 12.658 8.516 -0.873 1.00 0.00 O ATOM 669 CB ASP A 45 13.784 9.979 1.855 1.00 0.00 C ATOM 670 CG ASP A 45 14.862 10.920 2.357 1.00 0.00 C ATOM 671 OD1 ASP A 45 15.640 11.430 1.524 1.00 0.00 O ATOM 672 OD2 ASP A 45 14.926 11.147 3.583 1.00 0.00 O ATOM 0 H ASP A 45 12.502 12.063 1.562 1.00 0.00 H new ATOM 0 HA ASP A 45 14.045 10.523 -0.207 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.974 9.937 2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.193 8.972 1.775 1.00 0.00 H new ATOM 677 N VAL A 46 11.043 9.342 0.458 1.00 0.00 N ATOM 678 CA VAL A 46 10.043 8.370 0.031 1.00 0.00 C ATOM 679 C VAL A 46 9.140 8.950 -1.052 1.00 0.00 C ATOM 680 O VAL A 46 8.860 10.149 -1.066 1.00 0.00 O ATOM 681 CB VAL A 46 9.173 7.904 1.214 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.035 7.261 2.289 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.378 9.070 1.782 1.00 0.00 C ATOM 0 H VAL A 46 10.712 10.011 1.153 1.00 0.00 H new ATOM 0 HA VAL A 46 10.585 7.514 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 46 8.468 7.156 0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.404 6.938 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.555 6.399 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.765 7.985 2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.769 8.723 2.617 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.064 9.843 2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.731 9.481 1.007 1.00 0.00 H new ATOM 693 N VAL A 47 8.686 8.091 -1.959 1.00 0.00 N ATOM 694 CA VAL A 47 7.812 8.517 -3.046 1.00 0.00 C ATOM 695 C VAL A 47 6.454 7.830 -2.961 1.00 0.00 C ATOM 696 O VAL A 47 6.301 6.680 -3.372 1.00 0.00 O ATOM 697 CB VAL A 47 8.441 8.220 -4.420 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.462 8.548 -5.537 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.738 8.995 -4.591 1.00 0.00 C ATOM 0 H VAL A 47 8.909 7.096 -1.963 1.00 0.00 H new ATOM 0 HA VAL A 47 7.678 9.594 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 47 8.672 7.156 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.924 8.332 -6.500 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.563 7.943 -5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.197 9.604 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.169 8.773 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.536 10.064 -4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.441 8.705 -3.810 1.00 0.00 H new ATOM 709 N VAL A 48 5.469 8.543 -2.424 1.00 0.00 N ATOM 710 CA VAL A 48 4.121 8.003 -2.286 1.00 0.00 C ATOM 711 C VAL A 48 3.133 8.759 -3.167 1.00 0.00 C ATOM 712 O VAL A 48 2.747 9.887 -2.858 1.00 0.00 O ATOM 713 CB VAL A 48 3.639 8.063 -0.825 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.133 7.866 -0.751 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.363 7.024 0.017 1.00 0.00 C ATOM 0 H VAL A 48 5.579 9.496 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 48 4.164 6.961 -2.604 1.00 0.00 H new ATOM 0 HB VAL A 48 3.872 9.049 -0.424 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.811 7.912 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.635 8.651 -1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.872 6.894 -1.169 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.010 7.080 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.163 6.029 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.435 7.217 -0.010 1.00 0.00 H new ATOM 725 N ASP A 49 2.728 8.132 -4.266 1.00 0.00 N ATOM 726 CA ASP A 49 1.783 8.745 -5.192 1.00 0.00 C ATOM 727 C ASP A 49 0.354 8.319 -4.871 1.00 0.00 C ATOM 728 O ASP A 49 0.048 7.127 -4.817 1.00 0.00 O ATOM 729 CB ASP A 49 2.130 8.366 -6.633 1.00 0.00 C ATOM 730 CG ASP A 49 1.575 9.354 -7.640 1.00 0.00 C ATOM 731 OD1 ASP A 49 2.076 10.496 -7.688 1.00 0.00 O ATOM 732 OD2 ASP A 49 0.639 8.984 -8.380 1.00 0.00 O ATOM 0 H ASP A 49 3.039 7.199 -4.537 1.00 0.00 H new ATOM 0 HA ASP A 49 1.854 9.827 -5.082 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.213 8.311 -6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.738 7.372 -6.849 1.00 0.00 H new ATOM 737 N ILE A 50 -0.517 9.300 -4.658 1.00 0.00 N ATOM 738 CA ILE A 50 -1.913 9.026 -4.342 1.00 0.00 C ATOM 739 C ILE A 50 -2.838 9.567 -5.427 1.00 0.00 C ATOM 740 O ILE A 50 -2.764 10.741 -5.790 1.00 0.00 O ATOM 741 CB ILE A 50 -2.315 9.640 -2.988 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.494 9.015 -1.857 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.803 9.445 -2.739 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.534 9.811 -0.572 1.00 0.00 C ATOM 0 H ILE A 50 -0.280 10.291 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.017 7.942 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.108 10.710 -3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.864 8.008 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.458 8.916 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.072 9.884 -1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.371 9.931 -3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -4.034 8.380 -2.728 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.931 9.310 0.185 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.136 10.810 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.564 9.888 -0.223 1.00 0.00 H new ATOM 756 N GLN A 51 -3.709 8.704 -5.939 1.00 0.00 N ATOM 757 CA GLN A 51 -4.650 9.096 -6.982 1.00 0.00 C ATOM 758 C GLN A 51 -6.078 8.724 -6.595 1.00 0.00 C ATOM 759 O GLN A 51 -6.317 8.176 -5.519 1.00 0.00 O ATOM 760 CB GLN A 51 -4.279 8.432 -8.309 1.00 0.00 C ATOM 761 CG GLN A 51 -3.210 9.183 -9.087 1.00 0.00 C ATOM 762 CD GLN A 51 -2.671 8.384 -10.258 1.00 0.00 C ATOM 763 OE1 GLN A 51 -2.174 7.271 -10.088 1.00 0.00 O ATOM 764 NE2 GLN A 51 -2.768 8.950 -11.455 1.00 0.00 N ATOM 0 H GLN A 51 -3.783 7.729 -5.649 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.595 10.178 -7.098 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.929 7.418 -8.113 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.174 8.347 -8.926 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.625 10.122 -9.453 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.389 9.437 -8.417 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.188 9.875 -11.549 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.423 8.460 -12.280 1.00 0.00 H new ATOM 773 N ARG A 52 -7.022 9.026 -7.480 1.00 0.00 N ATOM 774 CA ARG A 52 -8.427 8.725 -7.230 1.00 0.00 C ATOM 775 C ARG A 52 -8.606 7.264 -6.826 1.00 0.00 C ATOM 776 O ARG A 52 -9.130 6.966 -5.753 1.00 0.00 O ATOM 777 CB ARG A 52 -9.265 9.028 -8.474 1.00 0.00 C ATOM 778 CG ARG A 52 -10.739 9.246 -8.176 1.00 0.00 C ATOM 779 CD ARG A 52 -10.978 10.586 -7.497 1.00 0.00 C ATOM 780 NE ARG A 52 -11.041 11.683 -8.459 1.00 0.00 N ATOM 781 CZ ARG A 52 -12.120 11.967 -9.180 1.00 0.00 C ATOM 782 NH1 ARG A 52 -13.220 11.239 -9.049 1.00 0.00 N ATOM 783 NH2 ARG A 52 -12.100 12.983 -10.034 1.00 0.00 N ATOM 0 H ARG A 52 -6.840 9.478 -8.376 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.768 9.356 -6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.866 9.917 -8.963 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.164 8.204 -9.180 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.310 9.200 -9.104 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.105 8.443 -7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.909 10.545 -6.932 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.179 10.777 -6.781 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.211 12.263 -8.584 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.240 10.458 -8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.047 11.460 -9.604 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.256 13.546 -10.137 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.929 13.201 -10.587 1.00 0.00 H new ATOM 797 N ARG A 53 -8.168 6.358 -7.694 1.00 0.00 N ATOM 798 CA ARG A 53 -8.282 4.929 -7.429 1.00 0.00 C ATOM 799 C ARG A 53 -6.941 4.230 -7.632 1.00 0.00 C ATOM 800 O ARG A 53 -6.885 3.016 -7.831 1.00 0.00 O ATOM 801 CB ARG A 53 -9.339 4.302 -8.340 1.00 0.00 C ATOM 802 CG ARG A 53 -9.997 3.066 -7.749 1.00 0.00 C ATOM 803 CD ARG A 53 -11.353 2.799 -8.384 1.00 0.00 C ATOM 804 NE ARG A 53 -11.683 1.376 -8.390 1.00 0.00 N ATOM 805 CZ ARG A 53 -12.783 0.880 -8.947 1.00 0.00 C ATOM 806 NH1 ARG A 53 -13.652 1.687 -9.539 1.00 0.00 N ATOM 807 NH2 ARG A 53 -13.014 -0.426 -8.911 1.00 0.00 N ATOM 0 H ARG A 53 -7.731 6.588 -8.586 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.586 4.801 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.107 5.044 -8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.876 4.037 -9.291 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.349 2.202 -7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.117 3.195 -6.673 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.122 3.347 -7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.355 3.176 -9.407 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.034 0.728 -7.943 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.477 2.692 -9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.495 1.303 -9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.347 -1.049 -8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.858 -0.807 -9.339 1.00 0.00 H new ATOM 821 N HIS A 54 -5.862 5.004 -7.580 1.00 0.00 N ATOM 822 CA HIS A 54 -4.521 4.460 -7.758 1.00 0.00 C ATOM 823 C HIS A 54 -3.585 4.949 -6.657 1.00 0.00 C ATOM 824 O HIS A 54 -3.559 6.137 -6.333 1.00 0.00 O ATOM 825 CB HIS A 54 -3.965 4.853 -9.128 1.00 0.00 C ATOM 826 CG HIS A 54 -4.196 3.819 -10.187 1.00 0.00 C ATOM 827 ND1 HIS A 54 -5.101 3.983 -11.214 1.00 0.00 N ATOM 828 CD2 HIS A 54 -3.632 2.603 -10.375 1.00 0.00 C ATOM 829 CE1 HIS A 54 -5.085 2.912 -11.987 1.00 0.00 C ATOM 830 NE2 HIS A 54 -4.201 2.060 -11.500 1.00 0.00 N ATOM 0 H HIS A 54 -5.890 6.010 -7.416 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.586 3.374 -7.699 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.423 5.791 -9.442 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -2.894 5.036 -9.038 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.875 2.145 -9.755 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -5.692 2.759 -12.867 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -3.977 1.147 -11.896 1.00 0.00 H new ATOM 839 N LEU A 55 -2.819 4.027 -6.085 1.00 0.00 N ATOM 840 CA LEU A 55 -1.882 4.364 -5.019 1.00 0.00 C ATOM 841 C LEU A 55 -0.526 3.706 -5.258 1.00 0.00 C ATOM 842 O LEU A 55 -0.451 2.556 -5.689 1.00 0.00 O ATOM 843 CB LEU A 55 -2.442 3.929 -3.664 1.00 0.00 C ATOM 844 CG LEU A 55 -1.469 3.986 -2.486 1.00 0.00 C ATOM 845 CD1 LEU A 55 -1.044 5.421 -2.214 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.097 3.369 -1.245 1.00 0.00 C ATOM 0 H LEU A 55 -2.828 3.040 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.745 5.445 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.302 4.557 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.810 2.907 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.581 3.409 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.352 5.442 -1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.553 5.829 -3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.922 6.022 -1.977 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.390 3.418 -0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.001 3.918 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.350 2.328 -1.445 1.00 0.00 H new ATOM 858 N ARG A 56 0.542 4.444 -4.971 1.00 0.00 N ATOM 859 CA ARG A 56 1.895 3.931 -5.153 1.00 0.00 C ATOM 860 C ARG A 56 2.795 4.348 -3.994 1.00 0.00 C ATOM 861 O ARG A 56 2.822 5.516 -3.605 1.00 0.00 O ATOM 862 CB ARG A 56 2.480 4.435 -6.474 1.00 0.00 C ATOM 863 CG ARG A 56 3.824 3.814 -6.821 1.00 0.00 C ATOM 864 CD ARG A 56 4.572 4.646 -7.850 1.00 0.00 C ATOM 865 NE ARG A 56 4.224 4.268 -9.217 1.00 0.00 N ATOM 866 CZ ARG A 56 4.592 4.962 -10.288 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.316 6.064 -10.151 1.00 0.00 N ATOM 868 NH2 ARG A 56 4.236 4.554 -11.500 1.00 0.00 N ATOM 0 H ARG A 56 0.497 5.398 -4.612 1.00 0.00 H new ATOM 0 HA ARG A 56 1.844 2.842 -5.177 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.774 4.226 -7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.592 5.518 -6.422 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.427 3.721 -5.918 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.672 2.806 -7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.346 5.701 -7.697 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.645 4.526 -7.703 1.00 0.00 H new ATOM 0 HE ARG A 56 3.668 3.425 -9.357 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.592 6.381 -9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.597 6.595 -10.975 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.679 3.707 -11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.519 5.088 -12.322 1.00 0.00 H new ATOM 882 N VAL A 57 3.529 3.386 -3.446 1.00 0.00 N ATOM 883 CA VAL A 57 4.431 3.653 -2.331 1.00 0.00 C ATOM 884 C VAL A 57 5.789 2.997 -2.554 1.00 0.00 C ATOM 885 O VAL A 57 5.877 1.896 -3.096 1.00 0.00 O ATOM 886 CB VAL A 57 3.842 3.150 -1.000 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.831 3.362 0.136 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.521 3.845 -0.706 1.00 0.00 C ATOM 0 H VAL A 57 3.517 2.414 -3.755 1.00 0.00 H new ATOM 0 HA VAL A 57 4.558 4.734 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 57 3.651 2.080 -1.088 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.397 3.001 1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.749 2.813 -0.074 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.056 4.424 0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.119 3.478 0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.683 4.921 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.813 3.635 -1.508 1.00 0.00 H new ATOM 898 N GLY A 58 6.847 3.681 -2.130 1.00 0.00 N ATOM 899 CA GLY A 58 8.188 3.149 -2.291 1.00 0.00 C ATOM 900 C GLY A 58 9.259 4.189 -2.033 1.00 0.00 C ATOM 901 O GLY A 58 8.957 5.366 -1.833 1.00 0.00 O ATOM 0 H GLY A 58 6.800 4.594 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.328 2.311 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.302 2.758 -3.302 1.00 0.00 H new ATOM 905 N LEU A 59 10.515 3.756 -2.037 1.00 0.00 N ATOM 906 CA LEU A 59 11.637 4.658 -1.800 1.00 0.00 C ATOM 907 C LEU A 59 12.065 5.346 -3.092 1.00 0.00 C ATOM 908 O LEU A 59 11.800 4.852 -4.189 1.00 0.00 O ATOM 909 CB LEU A 59 12.817 3.891 -1.201 1.00 0.00 C ATOM 910 CG LEU A 59 12.599 3.307 0.195 1.00 0.00 C ATOM 911 CD1 LEU A 59 12.981 4.321 1.263 1.00 0.00 C ATOM 912 CD2 LEU A 59 11.153 2.866 0.369 1.00 0.00 C ATOM 0 H LEU A 59 10.782 2.786 -2.202 1.00 0.00 H new ATOM 0 HA LEU A 59 11.313 5.422 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.076 3.076 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.677 4.559 -1.163 1.00 0.00 H new ATOM 0 HG LEU A 59 13.240 2.433 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.819 3.888 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.032 4.588 1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.366 5.214 1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.016 2.453 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.493 3.723 0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.913 2.105 -0.374 1.00 0.00 H new ATOM 924 N LYS A 60 12.731 6.487 -2.957 1.00 0.00 N ATOM 925 CA LYS A 60 13.201 7.242 -4.112 1.00 0.00 C ATOM 926 C LYS A 60 14.108 6.385 -4.990 1.00 0.00 C ATOM 927 O LYS A 60 15.098 5.828 -4.518 1.00 0.00 O ATOM 928 CB LYS A 60 13.950 8.496 -3.658 1.00 0.00 C ATOM 929 CG LYS A 60 14.453 9.354 -4.807 1.00 0.00 C ATOM 930 CD LYS A 60 13.400 10.350 -5.262 1.00 0.00 C ATOM 931 CE LYS A 60 13.247 11.492 -4.269 1.00 0.00 C ATOM 932 NZ LYS A 60 14.336 12.497 -4.407 1.00 0.00 N ATOM 0 H LYS A 60 12.958 6.910 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 60 12.331 7.539 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.291 9.095 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.797 8.199 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.351 9.889 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.736 8.714 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.674 10.750 -6.238 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.444 9.841 -5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.283 11.978 -4.420 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.247 11.093 -3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.195 13.259 -3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.254 12.039 -4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 14.320 12.896 -5.367 1.00 0.00 H new ATOM 946 N GLY A 61 13.763 6.285 -6.270 1.00 0.00 N ATOM 947 CA GLY A 61 14.557 5.495 -7.193 1.00 0.00 C ATOM 948 C GLY A 61 14.217 4.019 -7.134 1.00 0.00 C ATOM 949 O GLY A 61 13.958 3.394 -8.162 1.00 0.00 O ATOM 0 H GLY A 61 12.948 6.737 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.400 5.861 -8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.614 5.630 -6.966 1.00 0.00 H new ATOM 953 N GLN A 62 14.220 3.461 -5.928 1.00 0.00 N ATOM 954 CA GLN A 62 13.912 2.048 -5.740 1.00 0.00 C ATOM 955 C GLN A 62 12.500 1.730 -6.222 1.00 0.00 C ATOM 956 O GLN A 62 11.662 2.615 -6.393 1.00 0.00 O ATOM 957 CB GLN A 62 14.060 1.663 -4.267 1.00 0.00 C ATOM 958 CG GLN A 62 15.447 1.156 -3.907 1.00 0.00 C ATOM 959 CD GLN A 62 16.451 2.277 -3.732 1.00 0.00 C ATOM 960 OE1 GLN A 62 17.319 2.487 -4.580 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.338 3.006 -2.628 1.00 0.00 N ATOM 0 H GLN A 62 14.432 3.965 -5.067 1.00 0.00 H new ATOM 0 HA GLN A 62 14.618 1.466 -6.332 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.827 2.530 -3.648 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.327 0.893 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.390 0.577 -2.985 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.796 0.479 -4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.604 2.797 -1.952 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.986 3.775 -2.456 1.00 0.00 H new ATOM 970 N PRO A 63 12.229 0.436 -6.448 1.00 0.00 N ATOM 971 CA PRO A 63 10.919 -0.029 -6.913 1.00 0.00 C ATOM 972 C PRO A 63 9.841 0.111 -5.844 1.00 0.00 C ATOM 973 O PRO A 63 10.081 -0.098 -4.655 1.00 0.00 O ATOM 974 CB PRO A 63 11.161 -1.505 -7.238 1.00 0.00 C ATOM 975 CG PRO A 63 12.314 -1.898 -6.380 1.00 0.00 C ATOM 976 CD PRO A 63 13.180 -0.674 -6.266 1.00 0.00 C ATOM 0 HA PRO A 63 10.557 0.554 -7.760 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.280 -2.108 -7.018 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.388 -1.646 -8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.975 -2.229 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.866 -2.727 -6.823 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.677 -0.622 -5.297 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.961 -0.662 -7.026 1.00 0.00 H new ATOM 984 N PRO A 64 8.623 0.474 -6.275 1.00 0.00 N ATOM 985 CA PRO A 64 7.484 0.650 -5.370 1.00 0.00 C ATOM 986 C PRO A 64 6.993 -0.673 -4.792 1.00 0.00 C ATOM 987 O PRO A 64 6.634 -1.590 -5.531 1.00 0.00 O ATOM 988 CB PRO A 64 6.411 1.272 -6.267 1.00 0.00 C ATOM 989 CG PRO A 64 6.765 0.829 -7.644 1.00 0.00 C ATOM 990 CD PRO A 64 8.266 0.740 -7.678 1.00 0.00 C ATOM 0 HA PRO A 64 7.742 1.260 -4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.414 0.932 -5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.411 2.359 -6.189 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.312 -0.136 -7.872 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.399 1.537 -8.388 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.606 -0.058 -8.338 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.715 1.665 -8.039 1.00 0.00 H new ATOM 998 N VAL A 65 6.979 -0.766 -3.466 1.00 0.00 N ATOM 999 CA VAL A 65 6.530 -1.977 -2.789 1.00 0.00 C ATOM 1000 C VAL A 65 5.035 -2.198 -2.991 1.00 0.00 C ATOM 1001 O VAL A 65 4.549 -3.327 -2.929 1.00 0.00 O ATOM 1002 CB VAL A 65 6.830 -1.920 -1.280 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.501 -3.250 -0.619 1.00 0.00 C ATOM 1004 CG2 VAL A 65 8.284 -1.542 -1.040 1.00 0.00 C ATOM 0 H VAL A 65 7.273 -0.017 -2.839 1.00 0.00 H new ATOM 0 HA VAL A 65 7.080 -2.808 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 65 6.200 -1.153 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.720 -3.190 0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.444 -3.475 -0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.103 -4.039 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.479 -1.506 0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.934 -2.285 -1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.483 -0.564 -1.477 1.00 0.00 H new ATOM 1014 N VAL A 66 4.310 -1.111 -3.234 1.00 0.00 N ATOM 1015 CA VAL A 66 2.869 -1.185 -3.447 1.00 0.00 C ATOM 1016 C VAL A 66 2.460 -0.430 -4.706 1.00 0.00 C ATOM 1017 O VAL A 66 2.499 0.800 -4.745 1.00 0.00 O ATOM 1018 CB VAL A 66 2.094 -0.614 -2.245 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.610 -0.512 -2.565 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.323 -1.469 -1.008 1.00 0.00 C ATOM 0 H VAL A 66 4.697 -0.169 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 66 2.620 -2.240 -3.563 1.00 0.00 H new ATOM 0 HB VAL A 66 2.467 0.389 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.079 -0.107 -1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.467 0.146 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.219 -1.502 -2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.768 -1.051 -0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.979 -2.486 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.386 -1.484 -0.768 1.00 0.00 H new ATOM 1030 N ASP A 67 2.068 -1.174 -5.735 1.00 0.00 N ATOM 1031 CA ASP A 67 1.650 -0.575 -6.997 1.00 0.00 C ATOM 1032 C ASP A 67 0.453 -1.319 -7.581 1.00 0.00 C ATOM 1033 O ASP A 67 0.571 -2.468 -8.007 1.00 0.00 O ATOM 1034 CB ASP A 67 2.807 -0.581 -7.997 1.00 0.00 C ATOM 1035 CG ASP A 67 2.351 -0.284 -9.412 1.00 0.00 C ATOM 1036 OD1 ASP A 67 1.482 -1.021 -9.922 1.00 0.00 O ATOM 1037 OD2 ASP A 67 2.864 0.685 -10.009 1.00 0.00 O ATOM 0 H ASP A 67 2.031 -2.193 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 67 1.355 0.456 -6.801 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.549 0.158 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.299 -1.554 -7.973 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.699 -0.657 -7.597 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.901 -1.271 -8.130 1.00 0.00 C ATOM 1044 C GLY A 68 -3.113 -0.368 -8.016 1.00 0.00 C ATOM 1045 O GLY A 68 -3.122 0.571 -7.221 1.00 0.00 O ATOM 0 H GLY A 68 -0.822 0.294 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.740 -1.528 -9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.095 -2.203 -7.599 1.00 0.00 H new ATOM 1049 N GLU A 69 -4.139 -0.653 -8.812 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.360 0.143 -8.798 1.00 0.00 C ATOM 1051 C GLU A 69 -6.163 -0.115 -7.526 1.00 0.00 C ATOM 1052 O GLU A 69 -6.636 -1.228 -7.292 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.215 -0.172 -10.027 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.619 0.406 -9.957 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.415 0.161 -11.224 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -8.673 -1.018 -11.544 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -8.780 1.149 -11.894 1.00 0.00 O ATOM 0 H GLU A 69 -4.149 -1.429 -9.474 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.077 1.195 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.716 0.215 -10.915 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.282 -1.254 -10.145 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.147 -0.033 -9.110 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.557 1.479 -9.773 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.312 0.920 -6.708 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.057 0.807 -5.458 1.00 0.00 C ATOM 1066 C LEU A 70 -8.351 0.026 -5.665 1.00 0.00 C ATOM 1067 O LEU A 70 -8.831 -0.114 -6.791 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.370 2.196 -4.900 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.184 2.971 -4.325 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.510 4.454 -4.231 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.798 2.420 -2.960 1.00 0.00 C ATOM 0 H LEU A 70 -5.927 1.847 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.438 0.266 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.817 2.793 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.123 2.091 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.335 2.849 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.654 4.989 -3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.736 4.840 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.373 4.596 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.952 2.984 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.644 2.511 -2.278 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.521 1.370 -3.056 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.913 -0.478 -4.572 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.151 -1.245 -4.633 1.00 0.00 C ATOM 1085 C TYR A 71 -11.331 -0.346 -4.991 1.00 0.00 C ATOM 1086 O TYR A 71 -12.176 -0.708 -5.809 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.413 -1.939 -3.296 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.834 -2.430 -3.135 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.238 -3.641 -3.684 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.772 -1.682 -2.435 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.536 -4.092 -3.540 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.072 -2.126 -2.285 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.449 -3.332 -2.840 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.742 -3.778 -2.694 1.00 0.00 O ATOM 0 H TYR A 71 -8.530 -0.369 -3.633 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.042 -2.000 -5.411 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.732 -2.784 -3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.183 -1.247 -2.486 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.526 -4.240 -4.232 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.480 -0.737 -2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.834 -5.035 -3.974 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.789 -1.533 -1.737 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.256 -3.126 -2.174 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.381 0.829 -4.372 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.456 1.781 -4.625 1.00 0.00 C ATOM 1106 C ASN A 72 -11.915 3.206 -4.697 1.00 0.00 C ATOM 1107 O ASN A 72 -10.753 3.456 -4.379 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.520 1.683 -3.529 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.785 2.441 -3.882 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.487 2.091 -4.832 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.082 3.485 -3.118 1.00 0.00 N ATOM 0 H ASN A 72 -10.690 1.145 -3.692 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.908 1.534 -5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.764 0.635 -3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.114 2.074 -2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.921 4.034 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.471 3.739 -2.341 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.767 4.136 -5.119 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.374 5.535 -5.233 1.00 0.00 C ATOM 1120 C GLU A 73 -12.116 6.142 -3.857 1.00 0.00 C ATOM 1121 O GLU A 73 -12.894 5.946 -2.924 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.457 6.334 -5.960 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.450 6.138 -7.467 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.943 7.360 -8.217 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -13.206 8.367 -8.258 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -15.065 7.310 -8.763 1.00 0.00 O ATOM 0 H GLU A 73 -13.733 3.945 -5.387 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.450 5.580 -5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.433 6.046 -5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.325 7.393 -5.739 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.438 5.900 -7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -14.077 5.283 -7.721 1.00 0.00 H new ATOM 1133 N VAL A 74 -11.017 6.881 -3.739 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.656 7.518 -2.478 1.00 0.00 C ATOM 1135 C VAL A 74 -10.322 8.992 -2.683 1.00 0.00 C ATOM 1136 O VAL A 74 -9.423 9.336 -3.451 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.453 6.817 -1.820 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.751 5.343 -1.595 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.203 6.993 -2.671 1.00 0.00 C ATOM 0 H VAL A 74 -10.362 7.053 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.521 7.432 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.272 7.279 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.889 4.865 -1.129 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.618 5.243 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.959 4.864 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.363 6.491 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.370 6.559 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.980 8.055 -2.775 1.00 0.00 H new ATOM 1149 N LYS A 75 -11.051 9.859 -1.990 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.833 11.297 -2.092 1.00 0.00 C ATOM 1151 C LYS A 75 -9.342 11.622 -2.098 1.00 0.00 C ATOM 1152 O LYS A 75 -8.733 11.806 -1.044 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.519 12.022 -0.933 1.00 0.00 C ATOM 1154 CG LYS A 75 -11.983 13.426 -1.282 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.126 13.874 -0.387 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.568 15.292 -0.716 1.00 0.00 C ATOM 1157 NZ LYS A 75 -12.798 16.307 0.055 1.00 0.00 N ATOM 0 H LYS A 75 -11.799 9.591 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.266 11.639 -3.032 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.378 11.436 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.830 12.075 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.149 14.121 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.302 13.456 -2.324 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.969 13.193 -0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.815 13.821 0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.441 15.473 -1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.631 15.401 -0.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.227 17.245 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.814 16.061 1.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.814 16.325 -0.281 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.761 11.693 -3.291 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.343 11.998 -3.434 1.00 0.00 C ATOM 1173 C VAL A 76 -7.039 13.421 -2.978 1.00 0.00 C ATOM 1174 O VAL A 76 -6.024 13.671 -2.328 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.875 11.827 -4.891 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.743 12.650 -5.831 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.411 12.213 -5.030 1.00 0.00 C ATOM 0 H VAL A 76 -9.251 11.543 -4.173 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.803 11.293 -2.802 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.977 10.777 -5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.397 12.517 -6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.779 12.320 -5.752 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.676 13.704 -5.560 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.098 12.086 -6.066 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.280 13.255 -4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.804 11.576 -4.387 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.925 14.350 -3.324 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.750 15.748 -2.950 1.00 0.00 C ATOM 1189 C GLU A 77 -7.510 15.884 -1.449 1.00 0.00 C ATOM 1190 O GLU A 77 -6.977 16.891 -0.985 1.00 0.00 O ATOM 1191 CB GLU A 77 -8.978 16.565 -3.357 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.223 16.589 -4.857 1.00 0.00 C ATOM 1193 CD GLU A 77 -9.953 17.839 -5.309 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -9.632 18.931 -4.796 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -10.846 17.725 -6.175 1.00 0.00 O ATOM 0 H GLU A 77 -8.770 14.160 -3.862 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.876 16.132 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.857 16.155 -2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.858 17.588 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.268 16.522 -5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.804 15.711 -5.141 1.00 0.00 H new ATOM 1202 N GLU A 78 -7.909 14.863 -0.697 1.00 0.00 N ATOM 1203 CA GLU A 78 -7.739 14.870 0.751 1.00 0.00 C ATOM 1204 C GLU A 78 -6.684 13.854 1.180 1.00 0.00 C ATOM 1205 O GLU A 78 -5.902 14.104 2.097 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.068 14.564 1.445 1.00 0.00 C ATOM 1207 CG GLU A 78 -9.974 15.776 1.585 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.506 16.734 2.663 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -9.662 16.403 3.857 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -8.984 17.813 2.313 1.00 0.00 O ATOM 0 H GLU A 78 -8.352 14.021 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.403 15.864 1.046 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.593 13.792 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.866 14.156 2.435 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.020 16.302 0.632 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -10.986 15.443 1.815 1.00 0.00 H new ATOM 1217 N SER A 79 -6.669 12.707 0.509 1.00 0.00 N ATOM 1218 CA SER A 79 -5.714 11.651 0.822 1.00 0.00 C ATOM 1219 C SER A 79 -4.334 12.234 1.111 1.00 0.00 C ATOM 1220 O SER A 79 -3.965 13.279 0.574 1.00 0.00 O ATOM 1221 CB SER A 79 -5.626 10.654 -0.335 1.00 0.00 C ATOM 1222 OG SER A 79 -6.790 9.849 -0.404 1.00 0.00 O ATOM 0 H SER A 79 -7.307 12.485 -0.255 1.00 0.00 H new ATOM 0 HA SER A 79 -6.064 11.132 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.496 11.192 -1.274 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.749 10.020 -0.207 1.00 0.00 H new ATOM 0 HG SER A 79 -7.561 10.407 -0.638 1.00 0.00 H new ATOM 1228 N SER A 80 -3.576 11.551 1.963 1.00 0.00 N ATOM 1229 CA SER A 80 -2.238 12.003 2.328 1.00 0.00 C ATOM 1230 C SER A 80 -1.484 10.912 3.081 1.00 0.00 C ATOM 1231 O SER A 80 -2.010 9.823 3.310 1.00 0.00 O ATOM 1232 CB SER A 80 -2.320 13.268 3.185 1.00 0.00 C ATOM 1233 OG SER A 80 -2.851 12.981 4.467 1.00 0.00 O ATOM 0 H SER A 80 -3.865 10.683 2.413 1.00 0.00 H new ATOM 0 HA SER A 80 -1.694 12.230 1.411 1.00 0.00 H new ATOM 0 HB2 SER A 80 -1.327 13.706 3.289 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.945 14.009 2.687 1.00 0.00 H new ATOM 0 HG SER A 80 -2.892 13.805 4.996 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.248 11.213 3.464 1.00 0.00 N ATOM 1240 CA TRP A 81 0.581 10.259 4.192 1.00 0.00 C ATOM 1241 C TRP A 81 1.594 10.980 5.074 1.00 0.00 C ATOM 1242 O TRP A 81 1.750 12.199 4.989 1.00 0.00 O ATOM 1243 CB TRP A 81 1.305 9.331 3.214 1.00 0.00 C ATOM 1244 CG TRP A 81 2.117 10.065 2.190 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.659 10.639 1.039 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.529 10.301 2.225 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.701 11.218 0.356 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.859 11.025 1.062 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.546 9.972 3.125 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.162 11.424 0.779 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.839 10.369 2.842 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.138 11.088 1.678 1.00 0.00 C ATOM 0 H TRP A 81 0.202 12.110 3.282 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.070 9.664 4.832 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.958 8.663 3.775 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.571 8.706 2.705 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.629 10.638 0.713 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.625 11.712 -0.533 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.326 9.418 4.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.395 11.979 -0.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.633 10.120 3.531 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.159 11.383 1.486 1.00 0.00 H new ATOM 1263 N LEU A 82 2.282 10.220 5.919 1.00 0.00 N ATOM 1264 CA LEU A 82 3.282 10.787 6.817 1.00 0.00 C ATOM 1265 C LEU A 82 4.273 9.721 7.272 1.00 0.00 C ATOM 1266 O LEU A 82 3.900 8.570 7.502 1.00 0.00 O ATOM 1267 CB LEU A 82 2.604 11.420 8.033 1.00 0.00 C ATOM 1268 CG LEU A 82 1.994 10.448 9.044 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.037 10.014 10.063 1.00 0.00 C ATOM 1270 CD2 LEU A 82 0.798 11.081 9.739 1.00 0.00 C ATOM 0 H LEU A 82 2.166 9.210 6.001 1.00 0.00 H new ATOM 0 HA LEU A 82 3.829 11.556 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.337 12.039 8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.817 12.086 7.679 1.00 0.00 H new ATOM 0 HG LEU A 82 1.650 9.564 8.507 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.585 9.323 10.774 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.862 9.520 9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.412 10.888 10.595 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.377 10.375 10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.117 11.982 10.263 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.042 11.341 8.998 1.00 0.00 H new ATOM 1282 N ILE A 83 5.537 10.111 7.400 1.00 0.00 N ATOM 1283 CA ILE A 83 6.581 9.189 7.830 1.00 0.00 C ATOM 1284 C ILE A 83 6.574 9.020 9.346 1.00 0.00 C ATOM 1285 O ILE A 83 6.661 9.997 10.089 1.00 0.00 O ATOM 1286 CB ILE A 83 7.974 9.669 7.384 1.00 0.00 C ATOM 1287 CG1 ILE A 83 7.969 10.003 5.891 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.023 8.610 7.692 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.029 11.007 5.493 1.00 0.00 C ATOM 0 H ILE A 83 5.863 11.059 7.212 1.00 0.00 H new ATOM 0 HA ILE A 83 6.369 8.229 7.359 1.00 0.00 H new ATOM 0 HB ILE A 83 8.225 10.573 7.938 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.117 9.086 5.321 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.989 10.394 5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.003 8.964 7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.041 8.417 8.765 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.778 7.690 7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 83 8.967 11.196 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.870 11.939 6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.015 10.610 5.735 1.00 0.00 H new ATOM 1301 N GLU A 84 6.474 7.773 9.796 1.00 0.00 N ATOM 1302 CA GLU A 84 6.457 7.477 11.224 1.00 0.00 C ATOM 1303 C GLU A 84 7.817 6.961 11.688 1.00 0.00 C ATOM 1304 O GLU A 84 8.509 6.257 10.953 1.00 0.00 O ATOM 1305 CB GLU A 84 5.373 6.445 11.541 1.00 0.00 C ATOM 1306 CG GLU A 84 4.020 7.060 11.853 1.00 0.00 C ATOM 1307 CD GLU A 84 3.173 6.182 12.754 1.00 0.00 C ATOM 1308 OE1 GLU A 84 3.432 6.162 13.975 1.00 0.00 O ATOM 1309 OE2 GLU A 84 2.253 5.514 12.237 1.00 0.00 O ATOM 0 H GLU A 84 6.404 6.953 9.194 1.00 0.00 H new ATOM 0 HA GLU A 84 6.236 8.401 11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.268 5.768 10.693 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.694 5.843 12.391 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.167 8.029 12.330 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.484 7.242 10.921 1.00 0.00 H new ATOM 1316 N ASP A 85 8.192 7.318 12.911 1.00 0.00 N ATOM 1317 CA ASP A 85 9.467 6.891 13.475 1.00 0.00 C ATOM 1318 C ASP A 85 10.574 6.960 12.427 1.00 0.00 C ATOM 1319 O ASP A 85 11.575 6.251 12.519 1.00 0.00 O ATOM 1320 CB ASP A 85 9.356 5.468 14.025 1.00 0.00 C ATOM 1321 CG ASP A 85 10.525 5.100 14.918 1.00 0.00 C ATOM 1322 OD1 ASP A 85 11.516 5.860 14.942 1.00 0.00 O ATOM 1323 OD2 ASP A 85 10.447 4.053 15.593 1.00 0.00 O ATOM 0 H ASP A 85 7.631 7.902 13.531 1.00 0.00 H new ATOM 0 HA ASP A 85 9.720 7.568 14.291 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.428 5.370 14.588 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.301 4.764 13.195 1.00 0.00 H new ATOM 1328 N GLY A 86 10.386 7.819 11.430 1.00 0.00 N ATOM 1329 CA GLY A 86 11.376 7.964 10.378 1.00 0.00 C ATOM 1330 C GLY A 86 11.807 6.631 9.800 1.00 0.00 C ATOM 1331 O GLY A 86 12.838 6.538 9.134 1.00 0.00 O ATOM 0 H GLY A 86 9.566 8.417 11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.967 8.587 9.582 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.248 8.484 10.773 1.00 0.00 H new ATOM 1335 N LYS A 87 11.017 5.593 10.057 1.00 0.00 N ATOM 1336 CA LYS A 87 11.322 4.257 9.558 1.00 0.00 C ATOM 1337 C LYS A 87 10.127 3.669 8.813 1.00 0.00 C ATOM 1338 O LYS A 87 10.278 2.759 7.998 1.00 0.00 O ATOM 1339 CB LYS A 87 11.718 3.337 10.715 1.00 0.00 C ATOM 1340 CG LYS A 87 10.739 3.363 11.876 1.00 0.00 C ATOM 1341 CD LYS A 87 10.607 1.995 12.525 1.00 0.00 C ATOM 1342 CE LYS A 87 11.621 1.808 13.643 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.842 0.370 13.956 1.00 0.00 N ATOM 0 H LYS A 87 10.161 5.652 10.608 1.00 0.00 H new ATOM 0 HA LYS A 87 12.158 4.337 8.863 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.801 2.316 10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.705 3.626 11.076 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.073 4.088 12.618 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.763 3.695 11.523 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.599 1.876 12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.747 1.219 11.772 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.567 2.267 13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.275 2.325 14.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.539 0.285 14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.944 -0.062 14.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.197 -0.119 13.109 1.00 0.00 H new ATOM 1357 N VAL A 88 8.940 4.196 9.097 1.00 0.00 N ATOM 1358 CA VAL A 88 7.721 3.725 8.452 1.00 0.00 C ATOM 1359 C VAL A 88 7.034 4.851 7.686 1.00 0.00 C ATOM 1360 O VAL A 88 7.271 6.030 7.950 1.00 0.00 O ATOM 1361 CB VAL A 88 6.733 3.140 9.478 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.531 2.529 8.774 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.426 2.111 10.358 1.00 0.00 C ATOM 0 H VAL A 88 8.797 4.949 9.770 1.00 0.00 H new ATOM 0 HA VAL A 88 8.015 2.941 7.754 1.00 0.00 H new ATOM 0 HB VAL A 88 6.377 3.949 10.116 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.844 2.121 9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.022 3.297 8.191 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.865 1.731 8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.713 1.708 11.077 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.812 1.302 9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.251 2.584 10.891 1.00 0.00 H new ATOM 1373 N VAL A 89 6.182 4.479 6.736 1.00 0.00 N ATOM 1374 CA VAL A 89 5.459 5.457 5.932 1.00 0.00 C ATOM 1375 C VAL A 89 3.968 5.140 5.891 1.00 0.00 C ATOM 1376 O VAL A 89 3.521 4.304 5.105 1.00 0.00 O ATOM 1377 CB VAL A 89 6.002 5.512 4.492 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.099 6.363 3.613 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.427 6.043 4.480 1.00 0.00 C ATOM 0 H VAL A 89 5.976 3.507 6.504 1.00 0.00 H new ATOM 0 HA VAL A 89 5.608 6.428 6.405 1.00 0.00 H new ATOM 0 HB VAL A 89 6.013 4.500 4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.499 6.390 2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.097 5.933 3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.053 7.376 4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.795 6.075 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.445 7.047 4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.064 5.388 5.074 1.00 0.00 H new ATOM 1389 N THR A 90 3.201 5.814 6.742 1.00 0.00 N ATOM 1390 CA THR A 90 1.761 5.604 6.804 1.00 0.00 C ATOM 1391 C THR A 90 1.036 6.458 5.770 1.00 0.00 C ATOM 1392 O THR A 90 1.340 7.639 5.602 1.00 0.00 O ATOM 1393 CB THR A 90 1.204 5.930 8.203 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.520 7.283 8.553 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.777 4.984 9.247 1.00 0.00 C ATOM 0 H THR A 90 3.554 6.511 7.398 1.00 0.00 H new ATOM 0 HA THR A 90 1.587 4.550 6.589 1.00 0.00 H new ATOM 0 HB THR A 90 0.121 5.805 8.177 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.258 7.602 7.992 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.369 5.233 10.227 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.510 3.958 8.994 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.862 5.082 9.270 1.00 0.00 H new ATOM 1403 N VAL A 91 0.075 5.853 5.078 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.695 6.560 4.061 1.00 0.00 C ATOM 1405 C VAL A 91 -2.187 6.515 4.372 1.00 0.00 C ATOM 1406 O VAL A 91 -2.789 5.442 4.427 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.455 5.963 2.661 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.233 6.739 1.610 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.031 5.952 2.335 1.00 0.00 C ATOM 0 H VAL A 91 -0.189 4.876 5.203 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.356 7.596 4.069 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.813 4.933 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.051 6.303 0.628 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.298 6.691 1.837 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.908 7.779 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.183 5.527 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.416 6.972 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.561 5.349 3.073 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.779 7.688 4.573 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.203 7.783 4.877 1.00 0.00 C ATOM 1421 C HIS A 92 -5.023 7.926 3.598 1.00 0.00 C ATOM 1422 O HIS A 92 -4.804 8.844 2.807 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.470 8.970 5.803 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.852 9.532 5.674 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.986 8.748 5.678 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.280 10.809 5.537 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.052 9.518 5.549 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.650 10.773 5.462 1.00 0.00 N ATOM 0 H HIS A 92 -2.296 8.585 4.531 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.504 6.864 5.380 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.308 8.659 6.835 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.746 9.756 5.590 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.659 11.692 5.495 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.077 9.179 5.520 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.259 11.584 5.356 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.966 7.012 3.402 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.819 7.035 2.218 1.00 0.00 C ATOM 1439 C LEU A 93 -8.269 7.320 2.597 1.00 0.00 C ATOM 1440 O LEU A 93 -8.889 6.555 3.336 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.728 5.703 1.473 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.366 5.366 0.865 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.233 3.867 0.648 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.166 6.116 -0.444 1.00 0.00 C ATOM 0 H LEU A 93 -6.160 6.246 4.047 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.469 7.834 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.004 4.905 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.470 5.705 0.674 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.591 5.681 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.257 3.647 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.330 3.351 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.016 3.527 -0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.192 5.864 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.948 5.833 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.215 7.189 -0.260 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.804 8.424 2.085 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.181 8.808 2.370 1.00 0.00 C ATOM 1458 C GLU A 94 -11.151 8.082 1.443 1.00 0.00 C ATOM 1459 O GLU A 94 -11.051 8.181 0.219 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.353 10.321 2.222 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.579 10.867 2.935 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.876 10.448 2.270 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -12.835 10.058 1.084 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -13.931 10.510 2.934 1.00 0.00 O ATOM 0 H GLU A 94 -8.305 9.068 1.471 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.405 8.523 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.465 10.819 2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.419 10.569 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.577 10.522 3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -11.524 11.955 2.962 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.090 7.350 2.034 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.079 6.607 1.263 1.00 0.00 C ATOM 1473 C LYS A 95 -14.212 7.521 0.805 1.00 0.00 C ATOM 1474 O LYS A 95 -14.975 8.036 1.623 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.645 5.455 2.097 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.665 4.312 2.300 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.332 3.115 2.955 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.306 2.157 3.542 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.949 0.950 4.133 1.00 0.00 N ATOM 0 H LYS A 95 -12.186 7.256 3.045 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.584 6.201 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.950 5.838 3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.542 5.072 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.247 4.015 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.834 4.650 2.919 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.004 3.457 3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.943 2.590 2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.607 1.852 2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.725 2.671 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.499 0.728 5.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.962 1.134 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.836 0.144 3.485 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.315 7.716 -0.505 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.356 8.566 -1.070 1.00 0.00 C ATOM 1495 C ILE A 96 -16.659 8.432 -0.289 1.00 0.00 C ATOM 1496 O ILE A 96 -17.333 9.423 -0.012 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.619 8.226 -2.549 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.410 8.605 -3.405 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.869 8.939 -3.042 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -14.153 10.095 -3.462 1.00 0.00 C ATOM 0 H ILE A 96 -13.691 7.297 -1.195 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.998 9.593 -1.000 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.779 7.151 -2.637 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.525 8.107 -3.010 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.561 8.231 -4.418 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.042 8.689 -4.089 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.726 8.623 -2.447 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.736 10.016 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.281 10.290 -4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -15.022 10.598 -3.885 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.970 10.471 -2.456 1.00 0.00 H new ATOM 1512 N ASN A 97 -17.007 7.198 0.064 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.229 6.934 0.814 1.00 0.00 C ATOM 1514 C ASN A 97 -17.914 6.270 2.151 1.00 0.00 C ATOM 1515 O ASN A 97 -17.285 5.213 2.199 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.170 6.044 -0.001 1.00 0.00 C ATOM 1517 CG ASN A 97 -20.543 5.923 0.632 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -21.038 6.864 1.254 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -21.166 4.761 0.476 1.00 0.00 N ATOM 0 H ASN A 97 -16.460 6.366 -0.157 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.719 7.888 1.009 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -19.271 6.452 -1.007 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.731 5.052 -0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -22.092 4.621 0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -20.718 4.008 -0.047 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.356 6.898 3.236 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.124 6.368 4.574 1.00 0.00 C ATOM 1528 C LYS A 98 -18.960 5.116 4.817 1.00 0.00 C ATOM 1529 O LYS A 98 -18.828 4.461 5.850 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.454 7.428 5.628 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.734 8.747 5.411 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.238 8.611 5.644 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.480 9.817 5.111 1.00 0.00 C ATOM 1534 NZ LYS A 98 -15.581 10.986 6.027 1.00 0.00 N ATOM 0 H LYS A 98 -18.877 7.775 3.214 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.071 6.100 4.654 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.529 7.606 5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.196 7.041 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.914 9.098 4.395 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.141 9.500 6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.043 8.500 6.711 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.873 7.706 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.431 9.554 4.972 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.873 10.089 4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.051 11.787 5.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.580 11.253 6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.183 10.736 6.955 1.00 0.00 H new ATOM 1548 N MET A 99 -19.820 4.789 3.858 1.00 0.00 N ATOM 1549 CA MET A 99 -20.676 3.614 3.968 1.00 0.00 C ATOM 1550 C MET A 99 -20.240 2.530 2.986 1.00 0.00 C ATOM 1551 O MET A 99 -21.070 1.804 2.441 1.00 0.00 O ATOM 1552 CB MET A 99 -22.135 3.993 3.710 1.00 0.00 C ATOM 1553 CG MET A 99 -22.854 4.516 4.944 1.00 0.00 C ATOM 1554 SD MET A 99 -22.874 3.322 6.295 1.00 0.00 S ATOM 1555 CE MET A 99 -21.655 4.036 7.396 1.00 0.00 C ATOM 0 H MET A 99 -19.942 5.321 2.996 1.00 0.00 H new ATOM 0 HA MET A 99 -20.583 3.222 4.981 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.172 4.752 2.929 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.667 3.120 3.332 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.369 5.432 5.281 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.879 4.777 4.679 1.00 0.00 H new ATOM 0 HE1 MET A 99 -22.010 3.969 8.424 1.00 0.00 H new ATOM 0 HE2 MET A 99 -20.715 3.492 7.301 1.00 0.00 H new ATOM 0 HE3 MET A 99 -21.497 5.082 7.134 1.00 0.00 H new ATOM 1565 N GLU A 100 -18.932 2.428 2.767 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.388 1.433 1.850 1.00 0.00 C ATOM 1567 C GLU A 100 -17.216 0.691 2.486 1.00 0.00 C ATOM 1568 O GLU A 100 -16.379 1.292 3.159 1.00 0.00 O ATOM 1569 CB GLU A 100 -17.937 2.100 0.549 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.301 1.137 -0.440 1.00 0.00 C ATOM 1571 CD GLU A 100 -17.519 1.553 -1.882 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -18.518 2.252 -2.152 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -16.692 1.179 -2.739 1.00 0.00 O ATOM 0 H GLU A 100 -18.231 3.021 3.211 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.175 0.712 1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -18.797 2.576 0.078 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.224 2.890 0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -16.231 1.073 -0.242 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.714 0.140 -0.287 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.166 -0.618 2.269 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.097 -1.444 2.821 1.00 0.00 C ATOM 1582 C TRP A 101 -15.128 -1.882 1.729 1.00 0.00 C ATOM 1583 O TRP A 101 -15.464 -1.865 0.545 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.684 -2.671 3.522 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.057 -2.417 4.951 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.312 -2.198 5.444 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.168 -2.353 6.071 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.256 -2.003 6.803 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -16.952 -2.093 7.212 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.785 -2.492 6.222 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.398 -1.969 8.483 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.237 -2.368 7.484 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.042 -2.110 8.602 1.00 0.00 C ATOM 0 H TRP A 101 -17.852 -1.131 1.715 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.548 -0.846 3.548 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.567 -3.004 2.977 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -15.960 -3.484 3.482 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.215 -2.181 4.853 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.056 -1.821 7.409 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.156 -2.693 5.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.017 -1.769 9.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.170 -2.472 7.611 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.583 -2.021 9.576 1.00 0.00 H new ATOM 1604 N TRP A 102 -13.925 -2.273 2.135 1.00 0.00 N ATOM 1605 CA TRP A 102 -12.907 -2.716 1.189 1.00 0.00 C ATOM 1606 C TRP A 102 -12.567 -4.187 1.404 1.00 0.00 C ATOM 1607 O TRP A 102 -12.661 -4.698 2.519 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.646 -1.862 1.329 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.772 -0.508 0.701 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -12.885 0.283 0.675 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.749 0.213 0.005 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.615 1.453 0.005 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.311 1.434 -0.414 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.412 -0.053 -0.302 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.582 2.384 -1.125 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.690 0.890 -1.008 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.276 2.097 -1.412 1.00 0.00 C ATOM 0 H TRP A 102 -13.631 -2.292 3.112 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.307 -2.599 0.182 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.412 -1.743 2.387 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.807 -2.389 0.874 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -13.837 0.027 1.116 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.278 2.212 -0.154 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.951 -0.979 0.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.032 3.314 -1.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.657 0.694 -1.253 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.685 2.815 -1.961 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.172 -4.862 0.329 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.818 -6.275 0.401 1.00 0.00 C ATOM 1630 C ASN A 103 -10.310 -6.465 0.269 1.00 0.00 C ATOM 1631 O ASN A 103 -9.789 -7.555 0.506 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.541 -7.059 -0.696 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.498 -8.557 -0.460 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -11.946 -9.023 0.537 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -13.081 -9.317 -1.379 1.00 0.00 N ATOM 0 H ASN A 103 -12.089 -4.453 -0.602 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.130 -6.654 1.374 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.579 -6.732 -0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.086 -6.833 -1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -13.084 -10.332 -1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.526 -8.886 -2.189 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.616 -5.398 -0.112 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.168 -5.448 -0.276 1.00 0.00 C ATOM 1644 C ARG A 104 -7.607 -4.062 -0.579 1.00 0.00 C ATOM 1645 O ARG A 104 -8.287 -3.220 -1.168 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.794 -6.417 -1.399 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.257 -5.964 -2.774 1.00 0.00 C ATOM 1648 CD ARG A 104 -8.115 -7.074 -3.804 1.00 0.00 C ATOM 1649 NE ARG A 104 -9.075 -6.934 -4.896 1.00 0.00 N ATOM 1650 CZ ARG A 104 -9.115 -7.745 -5.947 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -8.255 -8.748 -6.048 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -10.018 -7.552 -6.901 1.00 0.00 N ATOM 0 H ARG A 104 -10.032 -4.489 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.734 -5.801 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.711 -6.543 -1.413 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.226 -7.394 -1.183 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.298 -5.646 -2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.674 -5.098 -3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.103 -7.066 -4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.257 -8.039 -3.318 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.751 -6.172 -4.849 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.560 -8.899 -5.317 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -8.288 -9.369 -6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.681 -6.781 -6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -10.048 -8.175 -7.708 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.364 -3.830 -0.171 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.711 -2.545 -0.398 1.00 0.00 C ATOM 1668 C LEU A 105 -5.690 -2.200 -1.884 1.00 0.00 C ATOM 1669 O LEU A 105 -6.290 -1.214 -2.312 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.284 -2.572 0.152 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.423 -1.347 -0.157 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.005 -0.105 0.500 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -1.989 -1.574 0.302 1.00 0.00 C ATOM 0 H LEU A 105 -5.788 -4.515 0.319 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.281 -1.778 0.126 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.335 -2.692 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.780 -3.454 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.418 -1.193 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.378 0.756 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.013 0.068 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.041 -0.248 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.390 -0.692 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.975 -1.754 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.574 -2.438 -0.216 1.00 0.00 H new ATOM 1685 N VAL A 106 -4.996 -3.020 -2.666 1.00 0.00 N ATOM 1686 CA VAL A 106 -4.898 -2.804 -4.105 1.00 0.00 C ATOM 1687 C VAL A 106 -5.144 -4.098 -4.873 1.00 0.00 C ATOM 1688 O VAL A 106 -4.995 -5.193 -4.330 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.519 -2.241 -4.496 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.351 -0.825 -3.968 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.410 -3.146 -3.982 1.00 0.00 C ATOM 0 H VAL A 106 -4.493 -3.840 -2.328 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.666 -2.077 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.454 -2.207 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.371 -0.444 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.126 -0.185 -4.390 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.435 -0.829 -2.881 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.442 -2.733 -4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.470 -3.214 -2.896 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.522 -4.140 -4.414 1.00 0.00 H new ATOM 1701 N THR A 107 -5.520 -3.965 -6.141 1.00 0.00 N ATOM 1702 CA THR A 107 -5.787 -5.123 -6.985 1.00 0.00 C ATOM 1703 C THR A 107 -4.618 -6.102 -6.960 1.00 0.00 C ATOM 1704 O THR A 107 -4.768 -7.270 -7.317 1.00 0.00 O ATOM 1705 CB THR A 107 -6.062 -4.705 -8.442 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.991 -3.887 -8.927 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.375 -3.946 -8.549 1.00 0.00 C ATOM 0 H THR A 107 -5.647 -3.066 -6.606 1.00 0.00 H new ATOM 0 HA THR A 107 -6.675 -5.611 -6.582 1.00 0.00 H new ATOM 0 HB THR A 107 -6.133 -5.608 -9.049 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.172 -3.627 -9.854 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.547 -3.662 -9.587 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.192 -4.582 -8.207 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.329 -3.050 -7.930 1.00 0.00 H new ATOM 1715 N SER A 108 -3.456 -5.618 -6.536 1.00 0.00 N ATOM 1716 CA SER A 108 -2.260 -6.450 -6.468 1.00 0.00 C ATOM 1717 C SER A 108 -2.078 -7.025 -5.067 1.00 0.00 C ATOM 1718 O SER A 108 -0.954 -7.248 -4.617 1.00 0.00 O ATOM 1719 CB SER A 108 -1.025 -5.638 -6.864 1.00 0.00 C ATOM 1720 OG SER A 108 0.015 -6.484 -7.324 1.00 0.00 O ATOM 0 H SER A 108 -3.317 -4.654 -6.234 1.00 0.00 H new ATOM 0 HA SER A 108 -2.381 -7.277 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.290 -4.925 -7.644 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.676 -5.060 -6.008 1.00 0.00 H new ATOM 0 HG SER A 108 0.166 -7.200 -6.672 1.00 0.00 H new ATOM 1726 N ASP A 109 -3.191 -7.262 -4.382 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.156 -7.812 -3.032 1.00 0.00 C ATOM 1728 C ASP A 109 -4.228 -8.882 -2.853 1.00 0.00 C ATOM 1729 O ASP A 109 -5.230 -8.916 -3.567 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.350 -6.699 -2.000 1.00 0.00 C ATOM 1731 CG ASP A 109 -2.051 -5.998 -1.653 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -0.977 -6.586 -1.894 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.109 -4.860 -1.141 1.00 0.00 O ATOM 0 H ASP A 109 -4.129 -7.082 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.180 -8.273 -2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.061 -5.969 -2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.786 -7.120 -1.094 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.014 -9.777 -1.877 1.00 0.00 N ATOM 1739 CA PRO A 110 -4.951 -10.865 -1.582 1.00 0.00 C ATOM 1740 C PRO A 110 -6.251 -10.359 -0.966 1.00 0.00 C ATOM 1741 O PRO A 110 -6.255 -9.384 -0.216 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.185 -11.730 -0.578 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.221 -10.796 0.069 1.00 0.00 C ATOM 1744 CD PRO A 110 -2.841 -9.796 -0.987 1.00 0.00 C ATOM 0 HA PRO A 110 -5.252 -11.399 -2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.858 -12.175 0.155 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.668 -12.550 -1.076 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.673 -10.302 0.929 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.344 -11.331 0.433 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.646 -8.813 -0.558 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.938 -10.096 -1.519 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.353 -11.030 -1.289 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.660 -10.646 -0.767 1.00 0.00 C ATOM 1754 C GLU A 111 -8.889 -11.246 0.618 1.00 0.00 C ATOM 1755 O GLU A 111 -8.175 -12.156 1.038 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.767 -11.098 -1.720 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.461 -10.824 -3.183 1.00 0.00 C ATOM 1758 CD GLU A 111 -8.732 -11.973 -3.852 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -7.498 -12.071 -3.683 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -9.394 -12.773 -4.545 1.00 0.00 O ATOM 0 H GLU A 111 -7.367 -11.840 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.685 -9.560 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.935 -12.167 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.695 -10.593 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.392 -10.631 -3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.856 -9.921 -3.261 1.00 0.00 H new ATOM 1767 N ILE A 112 -9.890 -10.727 1.322 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.215 -11.211 2.658 1.00 0.00 C ATOM 1769 C ILE A 112 -11.723 -11.342 2.844 1.00 0.00 C ATOM 1770 O ILE A 112 -12.468 -10.383 2.645 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.653 -10.277 3.746 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.609 -8.835 3.238 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.267 -10.736 4.174 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.713 -7.803 4.340 1.00 0.00 C ATOM 0 H ILE A 112 -10.489 -9.972 0.989 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.753 -12.193 2.760 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.312 -10.317 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.679 -8.679 2.692 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.424 -8.683 2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.883 -10.066 4.943 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.326 -11.749 4.572 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.597 -10.722 3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.675 -6.803 3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.656 -7.932 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.883 -7.929 5.036 1.00 0.00 H new