USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 806 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 69 ASN : amide:sc= 0.355! K(o=-0.035!,f=-2.6) USER MOD Set 1.2: A 86 MET CE :methyl -170:sc= -0.39 (180deg=-0.567) USER MOD Set 1.3: A 91 MET CE :methyl -159:sc= 0 (180deg=-0.399) USER MOD Set 2.1: A 25 TYR OH : rot -138:sc= 1.07 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.865 K(o=0.2,f=-7.8!) USER MOD Set 3.1: A 44 CYS SG : rot 67:sc= -0.593 USER MOD Set 3.2: A 68 ASN : amide:sc= -4.98! C(o=-5.6!,f=-6.6!) USER MOD Set 4.1: A 21 GLN : amide:sc= 0.0476 X(o=0.13,f=-0.34) USER MOD Set 4.2: A 50 TYR OH : rot -47:sc= 0.0824 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= -0.0865 (180deg=-0.562) USER MOD Single : A 18 CYS SG : rot -141:sc= 1.05 USER MOD Single : A 19 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.13) USER MOD Single : A 22 THR OG1 : rot -70:sc= 1.28 USER MOD Single : A 29 ASN : amide:sc= -1.37! C(o=-1.4!,f=-3.3!) USER MOD Single : A 31 THR OG1 : rot 86:sc= 0.244 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 35 MET CE :methyl -171:sc= 0 (180deg=-0.123) USER MOD Single : A 36 SER OG : rot -60:sc= 0.479 USER MOD Single : A 38 LYS NZ :NH3+ -131:sc= -0.346 (180deg=-2.07!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -0.882 F(o=-1.4,f=-0.88) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -3.21! C(o=-3.7!,f=-3.2!) USER MOD Single : A 78 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0843) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -83:sc= -0.0742 USER MOD Single : A 89 LYS NZ :NH3+ -160:sc= -0.019 (180deg=-0.56) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.741) USER MOD Single : A 101 SER OG : rot 180:sc= 0.00137 USER MOD Single : A 102 MET CE :methyl 180:sc= -2.89 (180deg=-2.89) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 108:sc= 0.848 USER MOD Single : A 107 THR OG1 : rot -170:sc= -0.841 USER MOD Single : A 108 GLN : amide:sc= -9.45! C(o=-9.5!,f=-18!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 153:sc= -0.253 (180deg=-1.11) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 127 N SER A 12 7.999 -9.152 -7.025 1.00 0.00 N ATOM 128 CA SER A 12 7.911 -8.160 -8.090 1.00 0.00 C ATOM 129 C SER A 12 8.677 -6.894 -7.718 1.00 0.00 C ATOM 130 O SER A 12 8.645 -6.450 -6.570 1.00 0.00 O ATOM 131 CB SER A 12 6.447 -7.818 -8.377 1.00 0.00 C ATOM 132 OG SER A 12 6.337 -6.933 -9.479 1.00 0.00 O ATOM 0 HA SER A 12 8.361 -8.585 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.890 -8.732 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.997 -7.363 -7.495 1.00 0.00 H new ATOM 0 HG SER A 12 5.392 -6.731 -9.643 1.00 0.00 H new ATOM 138 N LYS A 13 9.365 -6.318 -8.697 1.00 0.00 N ATOM 139 CA LYS A 13 10.140 -5.102 -8.476 1.00 0.00 C ATOM 140 C LYS A 13 9.419 -4.166 -7.511 1.00 0.00 C ATOM 141 O LYS A 13 10.018 -3.652 -6.565 1.00 0.00 O ATOM 142 CB LYS A 13 10.394 -4.386 -9.804 1.00 0.00 C ATOM 143 CG LYS A 13 11.656 -4.847 -10.513 1.00 0.00 C ATOM 144 CD LYS A 13 11.843 -4.132 -11.840 1.00 0.00 C ATOM 145 CE LYS A 13 12.604 -4.994 -12.835 1.00 0.00 C ATOM 146 NZ LYS A 13 11.832 -6.208 -13.221 1.00 0.00 N ATOM 0 H LYS A 13 9.402 -6.673 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 13 11.096 -5.385 -8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.539 -4.545 -10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.461 -3.313 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.520 -4.664 -9.875 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.607 -5.923 -10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.869 -3.870 -12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.382 -3.198 -11.679 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.829 -4.408 -13.726 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.558 -5.293 -12.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.131 -6.524 -14.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.008 -6.965 -12.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.817 -5.983 -13.237 1.00 0.00 H new ATOM 160 N LEU A 14 8.132 -3.949 -7.755 1.00 0.00 N ATOM 161 CA LEU A 14 7.329 -3.076 -6.906 1.00 0.00 C ATOM 162 C LEU A 14 7.274 -3.605 -5.477 1.00 0.00 C ATOM 163 O LEU A 14 7.657 -2.914 -4.532 1.00 0.00 O ATOM 164 CB LEU A 14 5.912 -2.947 -7.469 1.00 0.00 C ATOM 165 CG LEU A 14 4.883 -2.284 -6.552 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.065 -0.774 -6.552 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.471 -2.653 -6.980 1.00 0.00 C ATOM 0 H LEU A 14 7.622 -4.365 -8.534 1.00 0.00 H new ATOM 0 HA LEU A 14 7.799 -2.093 -6.891 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.962 -2.378 -8.397 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.552 -3.944 -7.725 1.00 0.00 H new ATOM 0 HG LEU A 14 5.040 -2.649 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.325 -0.318 -5.894 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.066 -0.528 -6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.935 -0.392 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.752 -2.172 -6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.301 -2.317 -8.003 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.346 -3.735 -6.928 1.00 0.00 H new ATOM 179 N LEU A 15 6.798 -4.836 -5.325 1.00 0.00 N ATOM 180 CA LEU A 15 6.696 -5.460 -4.010 1.00 0.00 C ATOM 181 C LEU A 15 7.947 -5.190 -3.180 1.00 0.00 C ATOM 182 O LEU A 15 7.865 -4.686 -2.061 1.00 0.00 O ATOM 183 CB LEU A 15 6.482 -6.968 -4.155 1.00 0.00 C ATOM 184 CG LEU A 15 6.669 -7.797 -2.884 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.529 -7.546 -1.910 1.00 0.00 C ATOM 186 CD2 LEU A 15 6.767 -9.278 -3.223 1.00 0.00 C ATOM 0 H LEU A 15 6.477 -5.422 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 15 5.840 -5.025 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.473 -7.137 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.171 -7.341 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 15 7.600 -7.491 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.680 -8.145 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.505 -6.490 -1.642 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.584 -7.824 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.900 -9.853 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.853 -9.598 -3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.619 -9.445 -3.883 1.00 0.00 H new ATOM 198 N GLY A 16 9.106 -5.527 -3.739 1.00 0.00 N ATOM 199 CA GLY A 16 10.358 -5.311 -3.037 1.00 0.00 C ATOM 200 C GLY A 16 10.361 -4.022 -2.240 1.00 0.00 C ATOM 201 O GLY A 16 10.588 -4.033 -1.030 1.00 0.00 O ATOM 0 H GLY A 16 9.200 -5.945 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.544 -6.150 -2.366 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.176 -5.291 -3.757 1.00 0.00 H new ATOM 205 N TRP A 17 10.110 -2.908 -2.918 1.00 0.00 N ATOM 206 CA TRP A 17 10.086 -1.604 -2.265 1.00 0.00 C ATOM 207 C TRP A 17 9.246 -1.648 -0.993 1.00 0.00 C ATOM 208 O TRP A 17 9.763 -1.462 0.110 1.00 0.00 O ATOM 209 CB TRP A 17 9.535 -0.543 -3.218 1.00 0.00 C ATOM 210 CG TRP A 17 9.682 0.856 -2.699 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.843 1.561 -2.561 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.630 1.716 -2.247 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.576 2.809 -2.050 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.227 2.929 -1.850 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.244 1.581 -2.142 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.483 3.997 -1.355 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.507 2.642 -1.650 1.00 0.00 C ATOM 218 CH2 TRP A 17 7.127 3.837 -1.262 1.00 0.00 C ATOM 0 H TRP A 17 9.920 -2.881 -3.920 1.00 0.00 H new ATOM 0 HA TRP A 17 11.109 -1.342 -1.994 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.049 -0.623 -4.176 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.480 -0.745 -3.404 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.826 1.193 -2.816 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.271 3.529 -1.852 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.757 0.664 -2.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.959 4.919 -1.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.435 2.548 -1.563 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.523 4.648 -0.882 1.00 0.00 H new ATOM 229 N CYS A 18 7.951 -1.894 -1.153 1.00 0.00 N ATOM 230 CA CYS A 18 7.039 -1.962 -0.016 1.00 0.00 C ATOM 231 C CYS A 18 7.659 -2.752 1.132 1.00 0.00 C ATOM 232 O CYS A 18 7.772 -2.253 2.251 1.00 0.00 O ATOM 233 CB CYS A 18 5.715 -2.601 -0.435 1.00 0.00 C ATOM 234 SG CYS A 18 4.835 -1.695 -1.730 1.00 0.00 S ATOM 0 H CYS A 18 7.508 -2.050 -2.059 1.00 0.00 H new ATOM 0 HA CYS A 18 6.850 -0.945 0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.908 -3.616 -0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.070 -2.681 0.440 1.00 0.00 H new ATOM 0 HG CYS A 18 3.558 -1.722 -1.487 1.00 0.00 H new ATOM 240 N GLN A 19 8.057 -3.988 0.845 1.00 0.00 N ATOM 241 CA GLN A 19 8.663 -4.848 1.855 1.00 0.00 C ATOM 242 C GLN A 19 9.727 -4.094 2.645 1.00 0.00 C ATOM 243 O GLN A 19 9.828 -4.237 3.863 1.00 0.00 O ATOM 244 CB GLN A 19 9.278 -6.085 1.198 1.00 0.00 C ATOM 245 CG GLN A 19 8.284 -6.906 0.394 1.00 0.00 C ATOM 246 CD GLN A 19 8.703 -8.356 0.253 1.00 0.00 C ATOM 247 OE1 GLN A 19 9.886 -8.659 0.097 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.733 -9.261 0.306 1.00 0.00 N ATOM 0 H GLN A 19 7.971 -4.415 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 19 7.881 -5.163 2.545 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.091 -5.772 0.543 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.716 -6.716 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.307 -6.859 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.173 -6.466 -0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.766 -8.965 0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.955 -10.252 0.216 1.00 0.00 H new ATOM 257 N ARG A 20 10.519 -3.290 1.943 1.00 0.00 N ATOM 258 CA ARG A 20 11.577 -2.514 2.579 1.00 0.00 C ATOM 259 C ARG A 20 10.997 -1.330 3.347 1.00 0.00 C ATOM 260 O ARG A 20 11.371 -1.077 4.491 1.00 0.00 O ATOM 261 CB ARG A 20 12.575 -2.017 1.531 1.00 0.00 C ATOM 262 CG ARG A 20 13.365 -3.132 0.865 1.00 0.00 C ATOM 263 CD ARG A 20 14.563 -2.587 0.104 1.00 0.00 C ATOM 264 NE ARG A 20 14.922 -3.434 -1.031 1.00 0.00 N ATOM 265 CZ ARG A 20 15.505 -4.621 -0.907 1.00 0.00 C ATOM 266 NH1 ARG A 20 15.794 -5.099 0.295 1.00 0.00 N ATOM 267 NH2 ARG A 20 15.800 -5.332 -1.987 1.00 0.00 N ATOM 0 H ARG A 20 10.448 -3.159 0.934 1.00 0.00 H new ATOM 0 HA ARG A 20 12.095 -3.163 3.285 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.037 -1.457 0.766 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.270 -1.323 2.004 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.704 -3.841 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.717 -3.681 0.181 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.340 -1.581 -0.251 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.415 -2.505 0.779 1.00 0.00 H new ATOM 0 HE ARG A 20 14.713 -3.095 -1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.569 -4.555 1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.242 -6.011 0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.579 -4.967 -2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.248 -6.243 -1.891 1.00 0.00 H new ATOM 281 N GLN A 21 10.082 -0.609 2.708 1.00 0.00 N ATOM 282 CA GLN A 21 9.451 0.549 3.330 1.00 0.00 C ATOM 283 C GLN A 21 8.606 0.130 4.528 1.00 0.00 C ATOM 284 O GLN A 21 8.904 0.488 5.669 1.00 0.00 O ATOM 285 CB GLN A 21 8.583 1.292 2.313 1.00 0.00 C ATOM 286 CG GLN A 21 9.357 1.796 1.106 1.00 0.00 C ATOM 287 CD GLN A 21 10.743 2.293 1.466 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.893 3.273 2.197 1.00 0.00 O ATOM 289 NE2 GLN A 21 11.766 1.618 0.955 1.00 0.00 N ATOM 0 H GLN A 21 9.761 -0.806 1.760 1.00 0.00 H new ATOM 0 HA GLN A 21 10.239 1.216 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.788 0.629 1.973 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.104 2.138 2.806 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.442 0.994 0.373 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.798 2.603 0.632 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.596 0.812 0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.722 1.906 1.164 1.00 0.00 H new ATOM 298 N THR A 22 7.548 -0.630 4.263 1.00 0.00 N ATOM 299 CA THR A 22 6.658 -1.097 5.319 1.00 0.00 C ATOM 300 C THR A 22 7.448 -1.661 6.494 1.00 0.00 C ATOM 301 O THR A 22 7.021 -1.565 7.645 1.00 0.00 O ATOM 302 CB THR A 22 5.689 -2.176 4.800 1.00 0.00 C ATOM 303 OG1 THR A 22 6.425 -3.314 4.339 1.00 0.00 O ATOM 304 CG2 THR A 22 4.827 -1.632 3.671 1.00 0.00 C ATOM 0 H THR A 22 7.286 -0.935 3.326 1.00 0.00 H new ATOM 0 HA THR A 22 6.083 -0.234 5.653 1.00 0.00 H new ATOM 0 HB THR A 22 5.038 -2.473 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.906 -3.082 3.517 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.151 -2.412 3.321 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.246 -0.784 4.033 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.466 -1.310 2.849 1.00 0.00 H new ATOM 312 N ASP A 23 8.602 -2.249 6.198 1.00 0.00 N ATOM 313 CA ASP A 23 9.453 -2.827 7.231 1.00 0.00 C ATOM 314 C ASP A 23 9.547 -1.901 8.439 1.00 0.00 C ATOM 315 O ASP A 23 10.049 -0.783 8.339 1.00 0.00 O ATOM 316 CB ASP A 23 10.851 -3.104 6.674 1.00 0.00 C ATOM 317 CG ASP A 23 11.734 -3.836 7.666 1.00 0.00 C ATOM 318 OD1 ASP A 23 11.190 -4.577 8.510 1.00 0.00 O ATOM 319 OD2 ASP A 23 12.970 -3.666 7.597 1.00 0.00 O ATOM 0 H ASP A 23 8.970 -2.338 5.251 1.00 0.00 H new ATOM 0 HA ASP A 23 9.005 -3.768 7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.765 -3.696 5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.323 -2.161 6.399 1.00 0.00 H new ATOM 324 N GLY A 24 9.059 -2.375 9.581 1.00 0.00 N ATOM 325 CA GLY A 24 9.096 -1.576 10.792 1.00 0.00 C ATOM 326 C GLY A 24 7.768 -1.569 11.523 1.00 0.00 C ATOM 327 O GLY A 24 7.729 -1.574 12.754 1.00 0.00 O ATOM 0 H GLY A 24 8.639 -3.298 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.870 -1.962 11.455 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.374 -0.553 10.540 1.00 0.00 H new ATOM 331 N TYR A 25 6.678 -1.555 10.765 1.00 0.00 N ATOM 332 CA TYR A 25 5.341 -1.542 11.348 1.00 0.00 C ATOM 333 C TYR A 25 4.980 -2.913 11.911 1.00 0.00 C ATOM 334 O TYR A 25 5.366 -3.944 11.361 1.00 0.00 O ATOM 335 CB TYR A 25 4.309 -1.120 10.301 1.00 0.00 C ATOM 336 CG TYR A 25 4.414 0.334 9.900 1.00 0.00 C ATOM 337 CD1 TYR A 25 5.502 0.797 9.170 1.00 0.00 C ATOM 338 CD2 TYR A 25 3.424 1.245 10.250 1.00 0.00 C ATOM 339 CE1 TYR A 25 5.602 2.125 8.802 1.00 0.00 C ATOM 340 CE2 TYR A 25 3.515 2.574 9.885 1.00 0.00 C ATOM 341 CZ TYR A 25 4.606 3.009 9.161 1.00 0.00 C ATOM 342 OH TYR A 25 4.701 4.332 8.795 1.00 0.00 O ATOM 0 H TYR A 25 6.693 -1.552 9.745 1.00 0.00 H new ATOM 0 HA TYR A 25 5.335 -0.820 12.165 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.428 -1.742 9.414 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.309 -1.309 10.691 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.283 0.107 8.885 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.569 0.908 10.817 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.455 2.469 8.236 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.737 3.269 10.165 1.00 0.00 H new ATOM 0 HH TYR A 25 4.429 4.900 9.546 1.00 0.00 H new ATOM 352 N ALA A 26 4.235 -2.916 13.012 1.00 0.00 N ATOM 353 CA ALA A 26 3.818 -4.158 13.649 1.00 0.00 C ATOM 354 C ALA A 26 2.501 -4.660 13.066 1.00 0.00 C ATOM 355 O ALA A 26 1.512 -3.929 13.022 1.00 0.00 O ATOM 356 CB ALA A 26 3.690 -3.964 15.153 1.00 0.00 C ATOM 0 H ALA A 26 3.908 -2.071 13.481 1.00 0.00 H new ATOM 0 HA ALA A 26 4.582 -4.910 13.454 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.378 -4.900 15.615 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.653 -3.660 15.564 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.948 -3.193 15.359 1.00 0.00 H new ATOM 362 N GLY A 27 2.497 -5.911 12.617 1.00 0.00 N ATOM 363 CA GLY A 27 1.296 -6.488 12.041 1.00 0.00 C ATOM 364 C GLY A 27 1.197 -6.249 10.547 1.00 0.00 C ATOM 365 O GLY A 27 0.441 -6.927 9.851 1.00 0.00 O ATOM 0 H GLY A 27 3.303 -6.535 12.642 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.282 -7.560 12.236 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.421 -6.063 12.533 1.00 0.00 H new ATOM 369 N VAL A 28 1.962 -5.281 10.052 1.00 0.00 N ATOM 370 CA VAL A 28 1.957 -4.954 8.632 1.00 0.00 C ATOM 371 C VAL A 28 2.982 -5.788 7.871 1.00 0.00 C ATOM 372 O VAL A 28 3.921 -5.253 7.285 1.00 0.00 O ATOM 373 CB VAL A 28 2.253 -3.460 8.399 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.258 -3.142 6.912 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.241 -2.596 9.134 1.00 0.00 C ATOM 0 H VAL A 28 2.593 -4.710 10.614 1.00 0.00 H new ATOM 0 HA VAL A 28 0.959 -5.182 8.259 1.00 0.00 H new ATOM 0 HB VAL A 28 3.243 -3.237 8.797 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.469 -2.082 6.767 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.026 -3.736 6.416 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.283 -3.380 6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.465 -1.544 8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.239 -2.819 8.769 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.293 -2.804 10.203 1.00 0.00 H new ATOM 385 N ASN A 29 2.793 -7.104 7.886 1.00 0.00 N ATOM 386 CA ASN A 29 3.701 -8.014 7.198 1.00 0.00 C ATOM 387 C ASN A 29 3.273 -8.216 5.748 1.00 0.00 C ATOM 388 O ASN A 29 2.435 -9.067 5.449 1.00 0.00 O ATOM 389 CB ASN A 29 3.750 -9.362 7.920 1.00 0.00 C ATOM 390 CG ASN A 29 2.448 -10.131 7.797 1.00 0.00 C ATOM 391 OD1 ASN A 29 1.405 -9.687 8.274 1.00 0.00 O ATOM 392 ND2 ASN A 29 2.506 -11.291 7.154 1.00 0.00 N ATOM 0 H ASN A 29 2.020 -7.563 8.367 1.00 0.00 H new ATOM 0 HA ASN A 29 4.696 -7.569 7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.563 -9.961 7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.974 -9.199 8.974 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.663 -11.853 7.039 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.394 -11.620 6.775 1.00 0.00 H new ATOM 399 N VAL A 30 3.855 -7.428 4.849 1.00 0.00 N ATOM 400 CA VAL A 30 3.535 -7.521 3.429 1.00 0.00 C ATOM 401 C VAL A 30 4.233 -8.714 2.786 1.00 0.00 C ATOM 402 O VAL A 30 5.385 -8.619 2.361 1.00 0.00 O ATOM 403 CB VAL A 30 3.938 -6.238 2.678 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.874 -6.457 1.174 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.049 -5.076 3.094 1.00 0.00 C ATOM 0 H VAL A 30 4.550 -6.718 5.079 1.00 0.00 H new ATOM 0 HA VAL A 30 2.455 -7.652 3.355 1.00 0.00 H new ATOM 0 HB VAL A 30 4.966 -5.991 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.162 -5.540 0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.556 -7.259 0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.858 -6.729 0.889 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.348 -4.178 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.010 -5.311 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.151 -4.905 4.166 1.00 0.00 H new ATOM 415 N THR A 31 3.528 -9.839 2.718 1.00 0.00 N ATOM 416 CA THR A 31 4.079 -11.052 2.127 1.00 0.00 C ATOM 417 C THR A 31 3.751 -11.137 0.640 1.00 0.00 C ATOM 418 O THR A 31 4.573 -11.581 -0.161 1.00 0.00 O ATOM 419 CB THR A 31 3.544 -12.313 2.832 1.00 0.00 C ATOM 420 OG1 THR A 31 2.115 -12.344 2.762 1.00 0.00 O ATOM 421 CG2 THR A 31 3.988 -12.348 4.286 1.00 0.00 C ATOM 0 H THR A 31 2.574 -9.935 3.065 1.00 0.00 H new ATOM 0 HA THR A 31 5.160 -11.004 2.256 1.00 0.00 H new ATOM 0 HB THR A 31 3.950 -13.188 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.838 -12.763 1.921 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.599 -13.247 4.764 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.077 -12.354 4.334 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.607 -11.468 4.804 1.00 0.00 H new ATOM 429 N ASP A 32 2.547 -10.709 0.279 1.00 0.00 N ATOM 430 CA ASP A 32 2.112 -10.735 -1.113 1.00 0.00 C ATOM 431 C ASP A 32 1.509 -9.394 -1.519 1.00 0.00 C ATOM 432 O ASP A 32 1.437 -8.464 -0.714 1.00 0.00 O ATOM 433 CB ASP A 32 1.091 -11.853 -1.329 1.00 0.00 C ATOM 434 CG ASP A 32 1.690 -13.231 -1.125 1.00 0.00 C ATOM 435 OD1 ASP A 32 1.688 -13.714 0.026 1.00 0.00 O ATOM 436 OD2 ASP A 32 2.161 -13.826 -2.117 1.00 0.00 O ATOM 0 H ASP A 32 1.854 -10.340 0.930 1.00 0.00 H new ATOM 0 HA ASP A 32 2.985 -10.924 -1.737 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.257 -11.717 -0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.686 -11.782 -2.339 1.00 0.00 H new ATOM 441 N LEU A 33 1.079 -9.300 -2.772 1.00 0.00 N ATOM 442 CA LEU A 33 0.483 -8.072 -3.287 1.00 0.00 C ATOM 443 C LEU A 33 -1.002 -8.267 -3.577 1.00 0.00 C ATOM 444 O LEU A 33 -1.513 -7.802 -4.596 1.00 0.00 O ATOM 445 CB LEU A 33 1.208 -7.623 -4.557 1.00 0.00 C ATOM 446 CG LEU A 33 2.693 -7.292 -4.401 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.332 -7.053 -5.760 1.00 0.00 C ATOM 448 CD2 LEU A 33 2.877 -6.079 -3.501 1.00 0.00 C ATOM 0 H LEU A 33 1.132 -10.060 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 33 0.587 -7.300 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.108 -8.409 -5.305 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.699 -6.743 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 33 3.189 -8.143 -3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.388 -6.819 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.232 -7.950 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.834 -6.219 -6.255 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.940 -5.858 -3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.367 -5.221 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.456 -6.288 -2.518 1.00 0.00 H new ATOM 460 N THR A 34 -1.691 -8.956 -2.672 1.00 0.00 N ATOM 461 CA THR A 34 -3.117 -9.211 -2.830 1.00 0.00 C ATOM 462 C THR A 34 -3.870 -8.945 -1.532 1.00 0.00 C ATOM 463 O THR A 34 -4.633 -7.985 -1.432 1.00 0.00 O ATOM 464 CB THR A 34 -3.382 -10.662 -3.276 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.695 -11.573 -2.411 1.00 0.00 O ATOM 466 CG2 THR A 34 -2.928 -10.878 -4.712 1.00 0.00 C ATOM 0 H THR A 34 -1.284 -9.347 -1.822 1.00 0.00 H new ATOM 0 HA THR A 34 -3.476 -8.530 -3.601 1.00 0.00 H new ATOM 0 HB THR A 34 -4.455 -10.846 -3.219 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.870 -12.493 -2.700 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.125 -11.909 -5.005 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.474 -10.203 -5.371 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.860 -10.677 -4.790 1.00 0.00 H new ATOM 474 N MET A 35 -3.650 -9.801 -0.539 1.00 0.00 N ATOM 475 CA MET A 35 -4.307 -9.656 0.754 1.00 0.00 C ATOM 476 C MET A 35 -3.558 -8.663 1.637 1.00 0.00 C ATOM 477 O MET A 35 -4.169 -7.863 2.345 1.00 0.00 O ATOM 478 CB MET A 35 -4.401 -11.011 1.457 1.00 0.00 C ATOM 479 CG MET A 35 -3.051 -11.670 1.690 1.00 0.00 C ATOM 480 SD MET A 35 -3.198 -13.337 2.361 1.00 0.00 S ATOM 481 CE MET A 35 -3.765 -12.984 4.023 1.00 0.00 C ATOM 0 H MET A 35 -3.022 -10.602 -0.606 1.00 0.00 H new ATOM 0 HA MET A 35 -5.313 -9.274 0.581 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.902 -10.880 2.416 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.024 -11.678 0.861 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.503 -11.709 0.749 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.465 -11.057 2.375 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.750 -13.899 4.615 1.00 0.00 H new ATOM 0 HE2 MET A 35 -3.109 -12.245 4.482 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.782 -12.593 3.985 1.00 0.00 H new ATOM 491 N SER A 36 -2.231 -8.720 1.589 1.00 0.00 N ATOM 492 CA SER A 36 -1.398 -7.828 2.388 1.00 0.00 C ATOM 493 C SER A 36 -1.973 -6.415 2.401 1.00 0.00 C ATOM 494 O SER A 36 -1.742 -5.648 3.336 1.00 0.00 O ATOM 495 CB SER A 36 0.031 -7.805 1.841 1.00 0.00 C ATOM 496 OG SER A 36 0.622 -9.091 1.903 1.00 0.00 O ATOM 0 H SER A 36 -1.709 -9.374 1.006 1.00 0.00 H new ATOM 0 HA SER A 36 -1.382 -8.204 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.023 -7.455 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.631 -7.098 2.413 1.00 0.00 H new ATOM 0 HG SER A 36 0.650 -9.394 2.835 1.00 0.00 H new ATOM 502 N TRP A 37 -2.722 -6.079 1.358 1.00 0.00 N ATOM 503 CA TRP A 37 -3.331 -4.758 1.248 1.00 0.00 C ATOM 504 C TRP A 37 -4.820 -4.816 1.571 1.00 0.00 C ATOM 505 O TRP A 37 -5.377 -3.882 2.148 1.00 0.00 O ATOM 506 CB TRP A 37 -3.123 -4.193 -0.158 1.00 0.00 C ATOM 507 CG TRP A 37 -1.690 -4.200 -0.596 1.00 0.00 C ATOM 508 CD1 TRP A 37 -1.041 -5.201 -1.262 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.727 -3.159 -0.396 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.266 -4.845 -1.488 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.484 -3.596 -0.968 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.771 -1.900 0.207 1.00 0.00 C ATOM 513 CZ2 TRP A 37 1.638 -2.818 -0.951 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.375 -1.129 0.224 1.00 0.00 C ATOM 515 CH2 TRP A 37 1.567 -1.589 -0.353 1.00 0.00 C ATOM 0 H TRP A 37 -2.923 -6.702 0.576 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.847 -4.101 1.971 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.714 -4.774 -0.866 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.500 -3.171 -0.190 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.490 -6.135 -1.566 1.00 0.00 H new ATOM 0 HE1 TRP A 37 0.962 -5.418 -1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.685 -1.536 0.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.557 -3.172 -1.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.352 -0.155 0.690 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.446 -0.962 -0.325 1.00 0.00 H new ATOM 526 N LYS A 38 -5.459 -5.919 1.197 1.00 0.00 N ATOM 527 CA LYS A 38 -6.884 -6.100 1.448 1.00 0.00 C ATOM 528 C LYS A 38 -7.290 -5.455 2.769 1.00 0.00 C ATOM 529 O LYS A 38 -8.236 -4.669 2.822 1.00 0.00 O ATOM 530 CB LYS A 38 -7.234 -7.590 1.467 1.00 0.00 C ATOM 531 CG LYS A 38 -7.554 -8.157 0.095 1.00 0.00 C ATOM 532 CD LYS A 38 -7.861 -9.643 0.163 1.00 0.00 C ATOM 533 CE LYS A 38 -9.299 -9.896 0.589 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.452 -9.873 2.070 1.00 0.00 N ATOM 0 H LYS A 38 -5.013 -6.702 0.719 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.434 -5.614 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.399 -8.145 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.090 -7.745 2.124 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.407 -7.627 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.711 -7.989 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.684 -10.097 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.182 -10.124 0.867 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.947 -9.140 0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.627 -10.862 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.981 -10.714 2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.513 -9.873 2.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.969 -9.016 2.352 1.00 0.00 H new ATOM 548 N SER A 39 -6.568 -5.791 3.833 1.00 0.00 N ATOM 549 CA SER A 39 -6.854 -5.245 5.155 1.00 0.00 C ATOM 550 C SER A 39 -6.934 -3.722 5.109 1.00 0.00 C ATOM 551 O SER A 39 -7.936 -3.130 5.506 1.00 0.00 O ATOM 552 CB SER A 39 -5.780 -5.681 6.154 1.00 0.00 C ATOM 553 OG SER A 39 -6.298 -5.726 7.472 1.00 0.00 O ATOM 0 H SER A 39 -5.781 -6.439 3.806 1.00 0.00 H new ATOM 0 HA SER A 39 -7.820 -5.632 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.398 -6.663 5.876 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.939 -4.989 6.114 1.00 0.00 H new ATOM 0 HG SER A 39 -5.593 -6.009 8.091 1.00 0.00 H new ATOM 559 N GLY A 40 -5.868 -3.095 4.621 1.00 0.00 N ATOM 560 CA GLY A 40 -5.836 -1.647 4.532 1.00 0.00 C ATOM 561 C GLY A 40 -4.644 -1.047 5.251 1.00 0.00 C ATOM 562 O GLY A 40 -4.087 -0.040 4.812 1.00 0.00 O ATOM 0 H GLY A 40 -5.026 -3.564 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.810 -1.351 3.483 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.754 -1.240 4.955 1.00 0.00 H new ATOM 566 N LEU A 41 -4.252 -1.665 6.359 1.00 0.00 N ATOM 567 CA LEU A 41 -3.119 -1.186 7.143 1.00 0.00 C ATOM 568 C LEU A 41 -1.944 -0.828 6.238 1.00 0.00 C ATOM 569 O LEU A 41 -1.483 0.313 6.224 1.00 0.00 O ATOM 570 CB LEU A 41 -2.691 -2.246 8.159 1.00 0.00 C ATOM 571 CG LEU A 41 -3.724 -2.610 9.225 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.209 -3.738 10.106 1.00 0.00 C ATOM 573 CD2 LEU A 41 -4.074 -1.391 10.067 1.00 0.00 C ATOM 0 H LEU A 41 -4.702 -2.499 6.735 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.431 -0.288 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.423 -3.153 7.617 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.789 -1.896 8.661 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.629 -2.953 8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.958 -3.983 10.859 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.010 -4.617 9.493 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.289 -3.424 10.599 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.811 -1.669 10.821 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.175 -1.018 10.558 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.487 -0.612 9.426 1.00 0.00 H new ATOM 585 N ALA A 42 -1.465 -1.811 5.483 1.00 0.00 N ATOM 586 CA ALA A 42 -0.347 -1.599 4.572 1.00 0.00 C ATOM 587 C ALA A 42 -0.445 -0.239 3.889 1.00 0.00 C ATOM 588 O ALA A 42 0.357 0.658 4.153 1.00 0.00 O ATOM 589 CB ALA A 42 -0.294 -2.710 3.533 1.00 0.00 C ATOM 0 H ALA A 42 -1.834 -2.762 5.484 1.00 0.00 H new ATOM 0 HA ALA A 42 0.573 -1.618 5.156 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.546 -2.539 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.168 -3.670 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.222 -2.718 2.961 1.00 0.00 H new ATOM 595 N LEU A 43 -1.431 -0.092 3.012 1.00 0.00 N ATOM 596 CA LEU A 43 -1.634 1.159 2.291 1.00 0.00 C ATOM 597 C LEU A 43 -1.417 2.358 3.209 1.00 0.00 C ATOM 598 O LEU A 43 -0.836 3.366 2.803 1.00 0.00 O ATOM 599 CB LEU A 43 -3.042 1.206 1.696 1.00 0.00 C ATOM 600 CG LEU A 43 -3.256 2.199 0.553 1.00 0.00 C ATOM 601 CD1 LEU A 43 -2.077 2.168 -0.408 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.553 1.895 -0.182 1.00 0.00 C ATOM 0 H LEU A 43 -2.103 -0.824 2.783 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.904 1.206 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.296 0.209 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.744 1.445 2.495 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.328 3.201 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.247 2.881 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.165 2.435 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.973 1.166 -0.825 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.689 2.612 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.510 0.886 -0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.390 1.969 0.512 1.00 0.00 H new ATOM 614 N CYS A 44 -1.885 2.241 4.446 1.00 0.00 N ATOM 615 CA CYS A 44 -1.741 3.315 5.423 1.00 0.00 C ATOM 616 C CYS A 44 -0.281 3.487 5.830 1.00 0.00 C ATOM 617 O CYS A 44 0.213 4.608 5.946 1.00 0.00 O ATOM 618 CB CYS A 44 -2.597 3.028 6.657 1.00 0.00 C ATOM 619 SG CYS A 44 -4.330 2.671 6.286 1.00 0.00 S ATOM 0 H CYS A 44 -2.367 1.414 4.797 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.082 4.242 4.961 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.169 2.181 7.194 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.549 3.887 7.327 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.414 1.540 5.650 1.00 0.00 H new ATOM 625 N ALA A 45 0.403 2.368 6.048 1.00 0.00 N ATOM 626 CA ALA A 45 1.806 2.395 6.443 1.00 0.00 C ATOM 627 C ALA A 45 2.657 3.102 5.394 1.00 0.00 C ATOM 628 O ALA A 45 3.690 3.691 5.715 1.00 0.00 O ATOM 629 CB ALA A 45 2.316 0.980 6.673 1.00 0.00 C ATOM 0 H ALA A 45 0.008 1.432 5.958 1.00 0.00 H new ATOM 0 HA ALA A 45 1.886 2.954 7.375 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.365 1.015 6.967 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.733 0.507 7.463 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.216 0.403 5.753 1.00 0.00 H new ATOM 635 N ILE A 46 2.218 3.040 4.142 1.00 0.00 N ATOM 636 CA ILE A 46 2.941 3.676 3.047 1.00 0.00 C ATOM 637 C ILE A 46 2.906 5.195 3.174 1.00 0.00 C ATOM 638 O ILE A 46 3.948 5.851 3.188 1.00 0.00 O ATOM 639 CB ILE A 46 2.359 3.272 1.679 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.381 1.751 1.520 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.136 3.940 0.555 1.00 0.00 C ATOM 642 CD1 ILE A 46 3.742 1.138 1.766 1.00 0.00 C ATOM 0 H ILE A 46 1.365 2.556 3.860 1.00 0.00 H new ATOM 0 HA ILE A 46 3.974 3.333 3.109 1.00 0.00 H new ATOM 0 HB ILE A 46 1.323 3.608 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.663 1.311 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.052 1.494 0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.713 3.645 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.072 5.023 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.180 3.632 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.683 0.057 1.636 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.460 1.550 1.057 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.065 1.364 2.782 1.00 0.00 H new ATOM 654 N ILE A 47 1.701 5.748 3.267 1.00 0.00 N ATOM 655 CA ILE A 47 1.531 7.190 3.395 1.00 0.00 C ATOM 656 C ILE A 47 2.118 7.698 4.708 1.00 0.00 C ATOM 657 O ILE A 47 2.765 8.745 4.746 1.00 0.00 O ATOM 658 CB ILE A 47 0.045 7.590 3.322 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.541 7.210 1.961 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.115 9.081 3.577 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.054 7.215 1.932 1.00 0.00 C ATOM 0 H ILE A 47 0.829 5.219 3.256 1.00 0.00 H new ATOM 0 HA ILE A 47 2.064 7.646 2.560 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.501 7.049 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.169 7.904 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.184 6.218 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.170 9.348 3.522 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.270 9.324 4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.441 9.641 2.824 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.400 6.936 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.434 6.500 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.419 8.212 2.177 1.00 0.00 H new ATOM 673 N HIS A 48 1.890 6.948 5.781 1.00 0.00 N ATOM 674 CA HIS A 48 2.400 7.321 7.096 1.00 0.00 C ATOM 675 C HIS A 48 3.923 7.246 7.130 1.00 0.00 C ATOM 676 O HIS A 48 4.586 8.130 7.673 1.00 0.00 O ATOM 677 CB HIS A 48 1.808 6.410 8.173 1.00 0.00 C ATOM 678 CG HIS A 48 2.242 6.765 9.562 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.490 6.459 10.062 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.585 7.405 10.557 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.581 6.895 11.306 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.439 7.473 11.631 1.00 0.00 N ATOM 0 H HIS A 48 1.356 6.079 5.766 1.00 0.00 H new ATOM 0 HA HIS A 48 2.101 8.350 7.296 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.720 6.455 8.118 1.00 0.00 H new ATOM 0 HB3 HIS A 48 2.095 5.379 7.964 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.577 7.791 10.515 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.443 6.795 11.948 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.226 7.900 12.532 1.00 0.00 H new ATOM 691 N ARG A 49 4.472 6.184 6.548 1.00 0.00 N ATOM 692 CA ARG A 49 5.916 5.993 6.514 1.00 0.00 C ATOM 693 C ARG A 49 6.635 7.318 6.271 1.00 0.00 C ATOM 694 O ARG A 49 7.555 7.680 7.004 1.00 0.00 O ATOM 695 CB ARG A 49 6.294 4.989 5.423 1.00 0.00 C ATOM 696 CG ARG A 49 7.790 4.895 5.173 1.00 0.00 C ATOM 697 CD ARG A 49 8.436 3.834 6.050 1.00 0.00 C ATOM 698 NE ARG A 49 9.894 3.913 6.020 1.00 0.00 N ATOM 699 CZ ARG A 49 10.592 4.857 6.642 1.00 0.00 C ATOM 700 NH1 ARG A 49 9.968 5.796 7.339 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.917 4.861 6.568 1.00 0.00 N ATOM 0 H ARG A 49 3.938 5.443 6.094 1.00 0.00 H new ATOM 0 HA ARG A 49 6.228 5.602 7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.918 4.004 5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.796 5.269 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.971 4.661 4.124 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.254 5.862 5.368 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.088 3.951 7.076 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.119 2.846 5.716 1.00 0.00 H new ATOM 0 HE ARG A 49 10.404 3.205 5.493 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.950 5.795 7.399 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.506 6.520 7.816 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.400 4.139 6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.452 5.586 7.046 1.00 0.00 H new ATOM 715 N TYR A 50 6.207 8.035 5.238 1.00 0.00 N ATOM 716 CA TYR A 50 6.811 9.318 4.896 1.00 0.00 C ATOM 717 C TYR A 50 6.063 10.467 5.564 1.00 0.00 C ATOM 718 O TYR A 50 6.663 11.307 6.236 1.00 0.00 O ATOM 719 CB TYR A 50 6.820 9.513 3.379 1.00 0.00 C ATOM 720 CG TYR A 50 7.704 8.529 2.647 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.393 7.175 2.616 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.851 8.953 1.987 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.198 6.272 1.949 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.661 8.057 1.316 1.00 0.00 C ATOM 725 CZ TYR A 50 9.330 6.718 1.301 1.00 0.00 C ATOM 726 OH TYR A 50 10.135 5.822 0.635 1.00 0.00 O ATOM 0 H TYR A 50 5.445 7.750 4.623 1.00 0.00 H new ATOM 0 HA TYR A 50 7.838 9.316 5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.801 9.422 3.003 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.154 10.526 3.153 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.506 6.822 3.122 1.00 0.00 H new ATOM 0 HD2 TYR A 50 9.114 10.000 1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.942 5.223 1.935 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.548 8.403 0.806 1.00 0.00 H new ATOM 0 HH TYR A 50 10.304 5.045 1.208 1.00 0.00 H new ATOM 736 N ARG A 51 4.748 10.498 5.375 1.00 0.00 N ATOM 737 CA ARG A 51 3.916 11.544 5.958 1.00 0.00 C ATOM 738 C ARG A 51 2.919 10.955 6.952 1.00 0.00 C ATOM 739 O ARG A 51 1.846 10.478 6.584 1.00 0.00 O ATOM 740 CB ARG A 51 3.168 12.302 4.859 1.00 0.00 C ATOM 741 CG ARG A 51 4.083 12.907 3.806 1.00 0.00 C ATOM 742 CD ARG A 51 3.480 14.166 3.203 1.00 0.00 C ATOM 743 NE ARG A 51 4.489 14.997 2.552 1.00 0.00 N ATOM 744 CZ ARG A 51 5.036 14.706 1.377 1.00 0.00 C ATOM 745 NH1 ARG A 51 4.673 13.608 0.727 1.00 0.00 N ATOM 746 NH2 ARG A 51 5.948 15.512 0.850 1.00 0.00 N ATOM 0 H ARG A 51 4.236 9.811 4.823 1.00 0.00 H new ATOM 0 HA ARG A 51 4.568 12.237 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.468 11.623 4.373 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.577 13.097 5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.049 13.143 4.253 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.266 12.176 3.018 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.714 13.890 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.985 14.742 3.985 1.00 0.00 H new ATOM 0 HE ARG A 51 4.791 15.848 3.026 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.973 12.985 1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.094 13.387 -0.175 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.230 16.357 1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 51 6.367 15.287 -0.052 1.00 0.00 H new ATOM 760 N PRO A 52 3.282 10.988 8.243 1.00 0.00 N ATOM 761 CA PRO A 52 2.435 10.461 9.317 1.00 0.00 C ATOM 762 C PRO A 52 1.190 11.314 9.544 1.00 0.00 C ATOM 763 O PRO A 52 0.188 10.836 10.076 1.00 0.00 O ATOM 764 CB PRO A 52 3.347 10.510 10.545 1.00 0.00 C ATOM 765 CG PRO A 52 4.334 11.584 10.242 1.00 0.00 C ATOM 766 CD PRO A 52 4.548 11.541 8.754 1.00 0.00 C ATOM 0 HA PRO A 52 2.059 9.464 9.088 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.782 10.736 11.449 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.842 9.553 10.709 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.959 12.559 10.554 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.269 11.417 10.776 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.746 12.533 8.348 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.398 10.912 8.488 1.00 0.00 H new ATOM 774 N ASP A 53 1.262 12.576 9.137 1.00 0.00 N ATOM 775 CA ASP A 53 0.140 13.495 9.294 1.00 0.00 C ATOM 776 C ASP A 53 -1.051 13.046 8.454 1.00 0.00 C ATOM 777 O ASP A 53 -2.103 12.692 8.988 1.00 0.00 O ATOM 778 CB ASP A 53 0.555 14.913 8.899 1.00 0.00 C ATOM 779 CG ASP A 53 -0.382 15.966 9.454 1.00 0.00 C ATOM 780 OD1 ASP A 53 -0.879 15.782 10.585 1.00 0.00 O ATOM 781 OD2 ASP A 53 -0.620 16.976 8.758 1.00 0.00 O ATOM 0 H ASP A 53 2.085 12.987 8.696 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.157 13.492 10.343 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.566 15.106 9.257 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.582 14.991 7.812 1.00 0.00 H new ATOM 786 N LEU A 54 -0.880 13.066 7.137 1.00 0.00 N ATOM 787 CA LEU A 54 -1.942 12.663 6.221 1.00 0.00 C ATOM 788 C LEU A 54 -2.778 11.536 6.819 1.00 0.00 C ATOM 789 O LEU A 54 -4.002 11.636 6.905 1.00 0.00 O ATOM 790 CB LEU A 54 -1.347 12.217 4.884 1.00 0.00 C ATOM 791 CG LEU A 54 -0.240 13.105 4.313 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.195 12.602 2.945 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.707 14.551 4.227 1.00 0.00 C ATOM 0 H LEU A 54 -0.016 13.357 6.679 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.591 13.523 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.951 11.209 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.152 12.159 4.152 1.00 0.00 H new ATOM 0 HG LEU A 54 0.618 13.060 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.983 13.246 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.570 11.583 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.656 12.617 2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.093 15.168 3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.580 14.613 3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.969 14.909 5.223 1.00 0.00 H new ATOM 805 N ILE A 55 -2.108 10.465 7.233 1.00 0.00 N ATOM 806 CA ILE A 55 -2.789 9.321 7.826 1.00 0.00 C ATOM 807 C ILE A 55 -2.131 8.909 9.139 1.00 0.00 C ATOM 808 O ILE A 55 -0.906 8.827 9.232 1.00 0.00 O ATOM 809 CB ILE A 55 -2.800 8.114 6.870 1.00 0.00 C ATOM 810 CG1 ILE A 55 -4.001 7.213 7.164 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.501 7.331 6.991 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.419 6.359 5.987 1.00 0.00 C ATOM 0 H ILE A 55 -1.095 10.366 7.169 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.816 9.631 8.018 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.887 8.480 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.760 6.564 8.006 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.844 7.833 7.470 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.524 6.481 6.309 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.661 7.978 6.737 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.386 6.973 8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.276 5.746 6.268 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.691 7.002 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.591 5.713 5.694 1.00 0.00 H new ATOM 824 N ASP A 56 -2.953 8.650 10.150 1.00 0.00 N ATOM 825 CA ASP A 56 -2.451 8.244 11.458 1.00 0.00 C ATOM 826 C ASP A 56 -2.616 6.741 11.660 1.00 0.00 C ATOM 827 O ASP A 56 -3.720 6.255 11.909 1.00 0.00 O ATOM 828 CB ASP A 56 -3.181 9.003 12.566 1.00 0.00 C ATOM 829 CG ASP A 56 -2.340 9.148 13.819 1.00 0.00 C ATOM 830 OD1 ASP A 56 -1.384 9.952 13.803 1.00 0.00 O ATOM 831 OD2 ASP A 56 -2.639 8.459 14.817 1.00 0.00 O ATOM 0 H ASP A 56 -3.969 8.714 10.089 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.389 8.484 11.503 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.459 9.992 12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.106 8.481 12.811 1.00 0.00 H new ATOM 836 N PHE A 57 -1.512 6.010 11.550 1.00 0.00 N ATOM 837 CA PHE A 57 -1.534 4.561 11.719 1.00 0.00 C ATOM 838 C PHE A 57 -1.866 4.187 13.160 1.00 0.00 C ATOM 839 O PHE A 57 -2.641 3.263 13.411 1.00 0.00 O ATOM 840 CB PHE A 57 -0.185 3.959 11.321 1.00 0.00 C ATOM 841 CG PHE A 57 -0.193 2.458 11.260 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.730 1.800 10.166 1.00 0.00 C ATOM 843 CD2 PHE A 57 0.336 1.707 12.297 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.739 0.419 10.106 1.00 0.00 C ATOM 845 CE2 PHE A 57 0.330 0.326 12.242 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.209 -0.319 11.146 1.00 0.00 C ATOM 0 H PHE A 57 -0.591 6.397 11.345 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.310 4.156 11.069 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.106 4.353 10.347 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.573 4.282 12.035 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.147 2.372 9.350 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.757 2.206 13.157 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -1.160 -0.082 9.247 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.747 -0.249 13.056 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.216 -1.398 11.102 1.00 0.00 H new ATOM 856 N ASP A 58 -1.274 4.910 14.104 1.00 0.00 N ATOM 857 CA ASP A 58 -1.506 4.655 15.521 1.00 0.00 C ATOM 858 C ASP A 58 -3.000 4.587 15.824 1.00 0.00 C ATOM 859 O ASP A 58 -3.460 3.691 16.531 1.00 0.00 O ATOM 860 CB ASP A 58 -0.850 5.744 16.372 1.00 0.00 C ATOM 861 CG ASP A 58 0.579 6.025 15.950 1.00 0.00 C ATOM 862 OD1 ASP A 58 0.771 6.715 14.928 1.00 0.00 O ATOM 863 OD2 ASP A 58 1.506 5.554 16.643 1.00 0.00 O ATOM 0 H ASP A 58 -0.630 5.678 13.914 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.059 3.692 15.769 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.435 6.661 16.298 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.864 5.441 17.419 1.00 0.00 H new ATOM 868 N SER A 59 -3.752 5.541 15.284 1.00 0.00 N ATOM 869 CA SER A 59 -5.193 5.592 15.500 1.00 0.00 C ATOM 870 C SER A 59 -5.884 4.402 14.840 1.00 0.00 C ATOM 871 O SER A 59 -6.696 3.717 15.464 1.00 0.00 O ATOM 872 CB SER A 59 -5.766 6.899 14.949 1.00 0.00 C ATOM 873 OG SER A 59 -7.173 6.948 15.113 1.00 0.00 O ATOM 0 H SER A 59 -3.387 6.289 14.694 1.00 0.00 H new ATOM 0 HA SER A 59 -5.377 5.547 16.573 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.307 7.745 15.461 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.516 6.992 13.892 1.00 0.00 H new ATOM 0 HG SER A 59 -7.515 7.794 14.754 1.00 0.00 H new ATOM 879 N LEU A 60 -5.556 4.162 13.576 1.00 0.00 N ATOM 880 CA LEU A 60 -6.144 3.055 12.829 1.00 0.00 C ATOM 881 C LEU A 60 -6.039 1.752 13.616 1.00 0.00 C ATOM 882 O LEU A 60 -5.069 1.529 14.339 1.00 0.00 O ATOM 883 CB LEU A 60 -5.451 2.903 11.474 1.00 0.00 C ATOM 884 CG LEU A 60 -5.673 4.041 10.476 1.00 0.00 C ATOM 885 CD1 LEU A 60 -4.729 3.902 9.291 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.120 4.065 10.007 1.00 0.00 C ATOM 0 H LEU A 60 -4.886 4.719 13.046 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.199 3.277 12.667 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.379 2.801 11.646 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.791 1.974 11.017 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.459 4.985 10.977 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.901 4.720 8.591 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.697 3.935 9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.912 2.951 8.790 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.259 4.881 9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.361 3.119 9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.778 4.213 10.864 1.00 0.00 H new ATOM 898 N ASP A 61 -7.043 0.895 13.467 1.00 0.00 N ATOM 899 CA ASP A 61 -7.063 -0.387 14.160 1.00 0.00 C ATOM 900 C ASP A 61 -7.014 -1.543 13.166 1.00 0.00 C ATOM 901 O ASP A 61 -7.732 -1.546 12.167 1.00 0.00 O ATOM 902 CB ASP A 61 -8.315 -0.501 15.031 1.00 0.00 C ATOM 903 CG ASP A 61 -8.109 0.077 16.418 1.00 0.00 C ATOM 904 OD1 ASP A 61 -7.269 -0.464 17.167 1.00 0.00 O ATOM 905 OD2 ASP A 61 -8.789 1.069 16.755 1.00 0.00 O ATOM 0 H ASP A 61 -7.854 1.065 12.872 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.180 -0.441 14.797 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.142 0.016 14.544 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.601 -1.549 15.116 1.00 0.00 H new ATOM 910 N GLU A 62 -6.160 -2.523 13.446 1.00 0.00 N ATOM 911 CA GLU A 62 -6.016 -3.683 12.575 1.00 0.00 C ATOM 912 C GLU A 62 -7.375 -4.302 12.265 1.00 0.00 C ATOM 913 O GLU A 62 -7.615 -4.771 11.152 1.00 0.00 O ATOM 914 CB GLU A 62 -5.104 -4.726 13.224 1.00 0.00 C ATOM 915 CG GLU A 62 -5.638 -5.267 14.540 1.00 0.00 C ATOM 916 CD GLU A 62 -5.605 -4.236 15.651 1.00 0.00 C ATOM 917 OE1 GLU A 62 -4.586 -3.524 15.768 1.00 0.00 O ATOM 918 OE2 GLU A 62 -6.597 -4.141 16.403 1.00 0.00 O ATOM 0 H GLU A 62 -5.558 -2.536 14.269 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.566 -3.350 11.640 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.963 -5.555 12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.123 -4.283 13.394 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.663 -5.610 14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.049 -6.135 14.837 1.00 0.00 H new ATOM 925 N GLN A 63 -8.260 -4.300 13.257 1.00 0.00 N ATOM 926 CA GLN A 63 -9.595 -4.863 13.090 1.00 0.00 C ATOM 927 C GLN A 63 -10.318 -4.212 11.916 1.00 0.00 C ATOM 928 O GLN A 63 -10.933 -4.894 11.097 1.00 0.00 O ATOM 929 CB GLN A 63 -10.411 -4.682 14.371 1.00 0.00 C ATOM 930 CG GLN A 63 -9.932 -5.547 15.525 1.00 0.00 C ATOM 931 CD GLN A 63 -11.029 -5.838 16.530 1.00 0.00 C ATOM 932 OE1 GLN A 63 -11.622 -4.923 17.102 1.00 0.00 O ATOM 933 NE2 GLN A 63 -11.305 -7.118 16.752 1.00 0.00 N ATOM 0 H GLN A 63 -8.077 -3.915 14.184 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.489 -5.928 12.882 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.372 -3.635 14.672 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.455 -4.915 14.163 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -9.545 -6.487 15.133 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -9.105 -5.048 16.030 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.789 -7.845 16.256 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.033 -7.375 17.419 1.00 0.00 H new ATOM 942 N ASN A 64 -10.239 -2.887 11.840 1.00 0.00 N ATOM 943 CA ASN A 64 -10.887 -2.143 10.766 1.00 0.00 C ATOM 944 C ASN A 64 -10.266 -2.486 9.415 1.00 0.00 C ATOM 945 O ASN A 64 -9.100 -2.187 9.161 1.00 0.00 O ATOM 946 CB ASN A 64 -10.778 -0.638 11.022 1.00 0.00 C ATOM 947 CG ASN A 64 -11.414 -0.228 12.336 1.00 0.00 C ATOM 948 OD1 ASN A 64 -10.769 0.694 13.043 1.00 0.00 O flip ATOM 949 ND2 ASN A 64 -12.472 -0.733 12.711 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.733 -2.307 12.509 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.939 -2.426 10.745 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.727 -0.348 11.024 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.257 -0.098 10.205 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.933 -1.438 12.136 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.888 -0.447 13.597 1.00 0.00 H new ATOM 956 N VAL A 65 -11.055 -3.117 8.551 1.00 0.00 N ATOM 957 CA VAL A 65 -10.585 -3.500 7.225 1.00 0.00 C ATOM 958 C VAL A 65 -11.104 -2.541 6.160 1.00 0.00 C ATOM 959 O VAL A 65 -10.332 -1.807 5.543 1.00 0.00 O ATOM 960 CB VAL A 65 -11.022 -4.933 6.867 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.630 -5.269 5.436 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.419 -5.933 7.842 1.00 0.00 C ATOM 0 H VAL A 65 -12.023 -3.374 8.746 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.496 -3.456 7.250 1.00 0.00 H new ATOM 0 HB VAL A 65 -12.108 -4.993 6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.947 -6.285 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.114 -4.571 4.753 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.548 -5.192 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.738 -6.940 7.574 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.332 -5.873 7.798 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.755 -5.703 8.853 1.00 0.00 H new ATOM 972 N GLU A 66 -12.416 -2.553 5.949 1.00 0.00 N ATOM 973 CA GLU A 66 -13.038 -1.684 4.957 1.00 0.00 C ATOM 974 C GLU A 66 -12.612 -0.233 5.161 1.00 0.00 C ATOM 975 O GLU A 66 -12.208 0.447 4.218 1.00 0.00 O ATOM 976 CB GLU A 66 -14.562 -1.794 5.032 1.00 0.00 C ATOM 977 CG GLU A 66 -15.288 -0.894 4.046 1.00 0.00 C ATOM 978 CD GLU A 66 -15.381 0.541 4.527 1.00 0.00 C ATOM 979 OE1 GLU A 66 -16.025 0.777 5.570 1.00 0.00 O ATOM 980 OE2 GLU A 66 -14.810 1.428 3.858 1.00 0.00 O ATOM 0 H GLU A 66 -13.069 -3.155 6.451 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.706 -2.008 3.970 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.852 -2.828 4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.886 -1.547 6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.770 -0.919 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.292 -1.282 3.876 1.00 0.00 H new ATOM 987 N LYS A 67 -12.706 0.236 6.401 1.00 0.00 N ATOM 988 CA LYS A 67 -12.331 1.605 6.732 1.00 0.00 C ATOM 989 C LYS A 67 -10.894 1.893 6.309 1.00 0.00 C ATOM 990 O LYS A 67 -10.651 2.692 5.406 1.00 0.00 O ATOM 991 CB LYS A 67 -12.490 1.850 8.235 1.00 0.00 C ATOM 992 CG LYS A 67 -12.590 3.320 8.604 1.00 0.00 C ATOM 993 CD LYS A 67 -11.224 3.987 8.611 1.00 0.00 C ATOM 994 CE LYS A 67 -11.312 5.432 9.080 1.00 0.00 C ATOM 995 NZ LYS A 67 -11.252 5.538 10.564 1.00 0.00 N ATOM 0 H LYS A 67 -13.039 -0.313 7.194 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.993 2.278 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.384 1.334 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.641 1.410 8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.242 3.831 7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.049 3.419 9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.550 3.432 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.796 3.954 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.496 6.006 8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -12.242 5.874 8.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.315 6.538 10.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.045 5.011 10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.354 5.139 10.904 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.945 1.235 6.967 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.532 1.420 6.658 1.00 0.00 C ATOM 1011 C ASN A 68 -8.326 1.634 5.161 1.00 0.00 C ATOM 1012 O ASN A 68 -7.468 2.413 4.748 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.723 0.209 7.127 1.00 0.00 C ATOM 1014 CG ASN A 68 -7.234 0.358 8.555 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -6.069 0.676 8.794 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -8.125 0.128 9.512 1.00 0.00 N ATOM 0 H ASN A 68 -10.129 0.569 7.717 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.184 2.308 7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.338 -0.688 7.048 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.868 0.069 6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.854 0.213 10.492 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.080 -0.133 9.267 1.00 0.00 H new ATOM 1023 N ASN A 69 -9.120 0.937 4.355 1.00 0.00 N ATOM 1024 CA ASN A 69 -9.025 1.051 2.904 1.00 0.00 C ATOM 1025 C ASN A 69 -9.678 2.340 2.415 1.00 0.00 C ATOM 1026 O ASN A 69 -9.028 3.179 1.793 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.685 -0.155 2.233 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.906 -1.437 2.452 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.854 -1.649 1.848 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.421 -2.301 3.319 1.00 0.00 N ATOM 0 H ASN A 69 -9.836 0.288 4.681 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.969 1.076 2.635 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.696 -0.276 2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.777 0.033 1.163 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.942 -3.182 3.507 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.296 -2.084 3.797 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.967 2.489 2.703 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.709 3.676 2.293 1.00 0.00 C ATOM 1039 C GLN A 70 -10.930 4.945 2.624 1.00 0.00 C ATOM 1040 O GLN A 70 -10.910 5.896 1.841 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.077 3.710 2.976 1.00 0.00 C ATOM 1042 CG GLN A 70 -13.859 4.986 2.709 1.00 0.00 C ATOM 1043 CD GLN A 70 -13.538 5.596 1.359 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -13.592 4.780 0.312 1.00 0.00 O flip ATOM 1045 NE2 GLN A 70 -13.243 6.787 1.256 1.00 0.00 N flip ATOM 0 H GLN A 70 -11.519 1.803 3.218 1.00 0.00 H new ATOM 0 HA GLN A 70 -11.852 3.630 1.213 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.664 2.856 2.637 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.940 3.596 4.051 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.926 4.771 2.762 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.641 5.712 3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.213 7.379 2.086 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.028 7.182 0.340 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.291 4.955 3.788 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.511 6.108 4.224 1.00 0.00 C ATOM 1056 C LEU A 71 -8.431 6.452 3.202 1.00 0.00 C ATOM 1057 O LEU A 71 -8.498 7.487 2.539 1.00 0.00 O ATOM 1058 CB LEU A 71 -8.871 5.831 5.585 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.143 7.007 6.236 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.099 8.169 6.459 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.506 6.579 7.551 1.00 0.00 C ATOM 0 H LEU A 71 -10.297 4.177 4.448 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.186 6.959 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.649 5.489 6.267 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.163 5.010 5.471 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.352 7.337 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.563 8.997 6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.508 8.493 5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -9.912 7.851 7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.992 7.429 8.000 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.280 6.222 8.231 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.789 5.779 7.365 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.439 5.576 3.080 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.348 5.785 2.136 1.00 0.00 C ATOM 1075 C ALA A 72 -6.878 6.187 0.764 1.00 0.00 C ATOM 1076 O ALA A 72 -6.436 7.178 0.182 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.496 4.530 2.028 1.00 0.00 C ATOM 0 H ALA A 72 -7.368 4.715 3.623 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.728 6.600 2.510 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.685 4.700 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.079 4.288 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.112 3.701 1.681 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.828 5.412 0.252 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.418 5.687 -1.054 1.00 0.00 C ATOM 1085 C PHE A 73 -8.835 7.150 -1.165 1.00 0.00 C ATOM 1086 O PHE A 73 -8.926 7.699 -2.263 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.627 4.780 -1.291 1.00 0.00 C ATOM 1088 CG PHE A 73 -9.259 3.360 -1.611 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -8.260 3.080 -2.531 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.909 2.305 -0.993 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.920 1.774 -2.828 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.573 0.996 -1.285 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.576 0.731 -2.203 1.00 0.00 C ATOM 0 H PHE A 73 -8.206 4.589 0.721 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.665 5.484 -1.816 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.259 4.792 -0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.221 5.186 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.742 3.891 -3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.689 2.507 -0.274 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.142 1.569 -3.548 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.089 0.183 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.309 -0.290 -2.432 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.088 7.776 -0.021 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.495 9.175 0.012 1.00 0.00 C ATOM 1105 C ASP A 74 -8.300 10.083 0.285 1.00 0.00 C ATOM 1106 O ASP A 74 -8.019 11.003 -0.484 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.570 9.391 1.078 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.473 10.567 0.761 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -11.554 10.950 -0.425 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -12.099 11.104 1.698 1.00 0.00 O ATOM 0 H ASP A 74 -9.018 7.336 0.896 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.907 9.431 -0.964 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.173 8.488 1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.092 9.554 2.044 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.602 9.818 1.384 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.437 10.611 1.758 1.00 0.00 C ATOM 1117 C ILE A 75 -5.443 10.706 0.605 1.00 0.00 C ATOM 1118 O ILE A 75 -4.978 11.792 0.261 1.00 0.00 O ATOM 1119 CB ILE A 75 -5.724 10.018 2.987 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -6.693 9.918 4.167 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -4.516 10.866 3.359 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.187 11.260 4.660 1.00 0.00 C ATOM 0 H ILE A 75 -7.823 9.061 2.031 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.800 11.609 2.005 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.378 9.015 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.549 9.311 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.200 9.398 4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.022 10.434 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.818 10.892 2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.841 11.880 3.592 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.869 11.111 5.497 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.339 11.863 4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.709 11.774 3.853 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.124 9.561 0.010 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.189 9.516 -1.107 1.00 0.00 C ATOM 1136 C ALA A 76 -4.498 10.607 -2.127 1.00 0.00 C ATOM 1137 O ALA A 76 -3.775 11.597 -2.227 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.225 8.146 -1.769 1.00 0.00 C ATOM 0 H ALA A 76 -5.499 8.653 0.283 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.187 9.694 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.522 8.126 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.948 7.383 -1.042 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.231 7.947 -2.138 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.576 10.417 -2.882 1.00 0.00 N ATOM 1145 CA GLU A 77 -5.979 11.385 -3.895 1.00 0.00 C ATOM 1146 C GLU A 77 -6.092 12.784 -3.295 1.00 0.00 C ATOM 1147 O GLU A 77 -5.615 13.761 -3.873 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.313 10.977 -4.521 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.510 11.502 -5.933 1.00 0.00 C ATOM 1150 CD GLU A 77 -8.190 12.857 -5.962 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -9.381 12.930 -5.594 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -7.532 13.844 -6.352 1.00 0.00 O ATOM 0 H GLU A 77 -6.185 9.602 -2.811 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.213 11.401 -4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.381 9.889 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.126 11.339 -3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.542 11.575 -6.428 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.106 10.788 -6.502 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.729 12.873 -2.133 1.00 0.00 N ATOM 1160 CA LYS A 78 -6.907 14.150 -1.452 1.00 0.00 C ATOM 1161 C LYS A 78 -5.616 14.962 -1.474 1.00 0.00 C ATOM 1162 O LYS A 78 -5.606 16.117 -1.898 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.356 13.924 -0.007 1.00 0.00 C ATOM 1164 CG LYS A 78 -8.864 13.867 0.160 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.258 13.105 1.414 1.00 0.00 C ATOM 1166 CE LYS A 78 -9.139 13.976 2.656 1.00 0.00 C ATOM 1167 NZ LYS A 78 -10.239 14.976 2.739 1.00 0.00 N ATOM 0 H LYS A 78 -7.131 12.075 -1.642 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.678 14.711 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.923 12.992 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.960 14.725 0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.264 14.880 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.310 13.389 -0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -10.283 12.747 1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.622 12.226 1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.154 13.345 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.179 14.492 2.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.244 15.409 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.092 15.714 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.150 14.505 2.569 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.529 14.349 -1.015 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.233 15.016 -0.983 1.00 0.00 C ATOM 1183 C GLU A 79 -2.331 14.509 -2.105 1.00 0.00 C ATOM 1184 O GLU A 79 -1.973 15.257 -3.016 1.00 0.00 O ATOM 1185 CB GLU A 79 -2.554 14.796 0.370 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.337 15.361 1.543 1.00 0.00 C ATOM 1187 CD GLU A 79 -2.967 16.798 1.853 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -2.699 17.561 0.901 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -2.947 17.160 3.048 1.00 0.00 O ATOM 0 H GLU A 79 -4.520 13.393 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.400 16.083 -1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.407 13.727 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.565 15.254 0.350 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.403 15.303 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.158 14.745 2.425 1.00 0.00 H new ATOM 1196 N LEU A 80 -1.968 13.233 -2.033 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.109 12.624 -3.042 1.00 0.00 C ATOM 1198 C LEU A 80 -1.650 12.879 -4.445 1.00 0.00 C ATOM 1199 O LEU A 80 -0.924 13.329 -5.330 1.00 0.00 O ATOM 1200 CB LEU A 80 -0.987 11.119 -2.796 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.582 10.701 -1.381 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.147 9.244 -1.359 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.529 11.600 -0.857 1.00 0.00 C ATOM 0 H LEU A 80 -2.255 12.600 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.122 13.080 -2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.944 10.654 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.256 10.715 -3.496 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.448 10.810 -0.728 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.137 8.964 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.971 8.613 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.705 9.109 -2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.805 11.288 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.398 11.524 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.181 12.633 -0.835 1.00 0.00 H new ATOM 1215 N GLY A 81 -2.933 12.589 -4.640 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.551 12.796 -5.937 1.00 0.00 C ATOM 1217 C GLY A 81 -3.740 11.500 -6.702 1.00 0.00 C ATOM 1218 O GLY A 81 -4.100 11.514 -7.879 1.00 0.00 O ATOM 0 H GLY A 81 -3.555 12.215 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.519 13.279 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.935 13.475 -6.526 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.496 10.379 -6.032 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.641 9.070 -6.657 1.00 0.00 C ATOM 1224 C ILE A 82 -5.084 8.583 -6.585 1.00 0.00 C ATOM 1225 O ILE A 82 -5.555 8.158 -5.530 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.725 8.025 -5.993 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.277 8.519 -5.981 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.830 6.692 -6.719 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.357 7.671 -5.130 1.00 0.00 C ATOM 0 H ILE A 82 -3.197 10.351 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.351 9.185 -7.701 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.049 7.882 -4.962 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.899 8.537 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.255 9.545 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.177 5.963 -6.238 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.860 6.337 -6.681 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.528 6.819 -7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.653 8.079 -5.168 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.711 7.673 -4.099 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.350 6.649 -5.509 1.00 0.00 H new ATOM 1241 N SER A 83 -5.782 8.647 -7.715 1.00 0.00 N ATOM 1242 CA SER A 83 -7.173 8.215 -7.780 1.00 0.00 C ATOM 1243 C SER A 83 -7.291 6.720 -7.496 1.00 0.00 C ATOM 1244 O SER A 83 -6.558 5.898 -8.045 1.00 0.00 O ATOM 1245 CB SER A 83 -7.764 8.532 -9.155 1.00 0.00 C ATOM 1246 OG SER A 83 -8.937 7.774 -9.393 1.00 0.00 O ATOM 0 H SER A 83 -5.407 8.994 -8.598 1.00 0.00 H new ATOM 0 HA SER A 83 -7.732 8.758 -7.018 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.995 9.595 -9.218 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.027 8.319 -9.929 1.00 0.00 H new ATOM 0 HG SER A 83 -9.296 7.996 -10.277 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.237 6.359 -6.616 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.475 4.963 -6.238 1.00 0.00 C ATOM 1254 C PRO A 84 -9.085 4.151 -7.375 1.00 0.00 C ATOM 1255 O PRO A 84 -9.705 4.705 -8.283 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.460 5.074 -5.072 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.159 6.372 -5.289 1.00 0.00 C ATOM 1258 CD PRO A 84 -9.147 7.286 -5.922 1.00 0.00 C ATOM 0 HA PRO A 84 -7.550 4.446 -5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.163 4.241 -5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.942 5.059 -4.113 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -11.028 6.244 -5.935 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.520 6.783 -4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.615 7.985 -6.616 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.621 7.882 -5.176 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.904 2.835 -7.320 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.439 1.948 -8.345 1.00 0.00 C ATOM 1268 C ILE A 85 -10.647 1.175 -7.827 1.00 0.00 C ATOM 1269 O ILE A 85 -11.597 0.920 -8.567 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.375 0.947 -8.833 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -8.038 -0.054 -7.726 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -7.123 1.684 -9.287 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -7.090 -1.147 -8.168 1.00 0.00 C ATOM 0 H ILE A 85 -8.391 2.360 -6.577 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.745 2.578 -9.180 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.778 0.397 -9.683 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.596 0.481 -6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.961 -0.508 -7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.380 0.963 -9.629 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.375 2.361 -10.104 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.716 2.257 -8.454 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.896 -1.820 -7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.538 -1.707 -8.989 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.152 -0.702 -8.502 1.00 0.00 H new ATOM 1285 N MET A 86 -10.605 0.806 -6.551 1.00 0.00 N ATOM 1286 CA MET A 86 -11.699 0.065 -5.934 1.00 0.00 C ATOM 1287 C MET A 86 -12.186 0.767 -4.670 1.00 0.00 C ATOM 1288 O MET A 86 -11.486 1.609 -4.105 1.00 0.00 O ATOM 1289 CB MET A 86 -11.253 -1.360 -5.600 1.00 0.00 C ATOM 1290 CG MET A 86 -10.288 -1.436 -4.427 1.00 0.00 C ATOM 1291 SD MET A 86 -8.563 -1.312 -4.938 1.00 0.00 S ATOM 1292 CE MET A 86 -8.201 -3.022 -5.325 1.00 0.00 C ATOM 0 H MET A 86 -9.826 1.008 -5.925 1.00 0.00 H new ATOM 0 HA MET A 86 -12.523 0.023 -6.646 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.132 -1.964 -5.376 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.780 -1.799 -6.478 1.00 0.00 H new ATOM 0 HG2 MET A 86 -10.513 -0.634 -3.724 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.439 -2.377 -3.897 1.00 0.00 H new ATOM 0 HE1 MET A 86 -7.129 -3.140 -5.485 1.00 0.00 H new ATOM 0 HE2 MET A 86 -8.516 -3.657 -4.497 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.737 -3.312 -6.229 1.00 0.00 H new ATOM 1302 N THR A 87 -13.391 0.417 -4.231 1.00 0.00 N ATOM 1303 CA THR A 87 -13.972 1.014 -3.035 1.00 0.00 C ATOM 1304 C THR A 87 -13.701 0.156 -1.804 1.00 0.00 C ATOM 1305 O THR A 87 -13.735 -1.072 -1.872 1.00 0.00 O ATOM 1306 CB THR A 87 -15.492 1.208 -3.187 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.102 -0.013 -3.619 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.799 2.315 -4.184 1.00 0.00 C ATOM 0 H THR A 87 -13.984 -0.277 -4.686 1.00 0.00 H new ATOM 0 HA THR A 87 -13.499 1.988 -2.906 1.00 0.00 H new ATOM 0 HB THR A 87 -15.898 1.492 -2.216 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.028 -0.089 -4.593 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.879 2.434 -4.275 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.359 3.250 -3.837 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.380 2.056 -5.156 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.432 0.812 -0.679 1.00 0.00 N ATOM 1317 CA GLY A 88 -13.159 0.092 0.551 1.00 0.00 C ATOM 1318 C GLY A 88 -14.068 -1.107 0.735 1.00 0.00 C ATOM 1319 O GLY A 88 -13.620 -2.179 1.141 1.00 0.00 O ATOM 0 H GLY A 88 -13.398 1.828 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.121 -0.240 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.278 0.768 1.398 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.351 -0.926 0.438 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.327 -2.001 0.573 1.00 0.00 C ATOM 1325 C LYS A 89 -16.019 -3.140 -0.394 1.00 0.00 C ATOM 1326 O LYS A 89 -16.114 -4.313 -0.035 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.739 -1.470 0.319 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.827 -2.285 0.997 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.118 -1.770 2.397 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.216 -0.717 2.386 1.00 0.00 C ATOM 1331 NZ LYS A 89 -19.665 0.658 2.235 1.00 0.00 N ATOM 0 H LYS A 89 -15.739 -0.044 0.102 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.268 -2.386 1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.798 -0.439 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.924 -1.454 -0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -19.737 -2.248 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.521 -3.330 1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.415 -2.601 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.210 -1.346 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.908 -0.923 1.569 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.788 -0.779 3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -20.367 1.351 2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.798 0.749 2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.445 0.836 1.234 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.649 -2.785 -1.621 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.327 -3.779 -2.638 1.00 0.00 C ATOM 1347 C GLU A 90 -14.056 -4.539 -2.272 1.00 0.00 C ATOM 1348 O GLU A 90 -13.843 -5.665 -2.721 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.158 -3.108 -4.003 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.475 -2.778 -4.686 1.00 0.00 C ATOM 1351 CD GLU A 90 -16.285 -2.239 -6.090 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.098 -3.053 -7.018 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -16.323 -1.002 -6.260 1.00 0.00 O ATOM 0 H GLU A 90 -15.565 -1.818 -1.934 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.152 -4.489 -2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.583 -2.190 -3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.576 -3.763 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.094 -3.674 -4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -17.016 -2.044 -4.089 1.00 0.00 H new ATOM 1360 N MET A 91 -13.214 -3.915 -1.455 1.00 0.00 N ATOM 1361 CA MET A 91 -11.964 -4.532 -1.029 1.00 0.00 C ATOM 1362 C MET A 91 -12.208 -5.532 0.097 1.00 0.00 C ATOM 1363 O MET A 91 -11.513 -6.542 0.204 1.00 0.00 O ATOM 1364 CB MET A 91 -10.972 -3.462 -0.570 1.00 0.00 C ATOM 1365 CG MET A 91 -9.618 -4.022 -0.163 1.00 0.00 C ATOM 1366 SD MET A 91 -8.532 -4.308 -1.573 1.00 0.00 S ATOM 1367 CE MET A 91 -7.436 -2.898 -1.448 1.00 0.00 C ATOM 0 H MET A 91 -13.375 -2.982 -1.075 1.00 0.00 H new ATOM 0 HA MET A 91 -11.543 -5.066 -1.881 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.830 -2.740 -1.375 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.400 -2.919 0.273 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.136 -3.330 0.527 1.00 0.00 H new ATOM 0 HG3 MET A 91 -9.763 -4.959 0.374 1.00 0.00 H new ATOM 0 HE1 MET A 91 -6.965 -2.717 -2.414 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.007 -2.018 -1.152 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.668 -3.100 -0.702 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.198 -5.243 0.935 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.534 -6.118 2.051 1.00 0.00 C ATOM 1379 C ALA A 92 -14.424 -7.270 1.598 1.00 0.00 C ATOM 1380 O ALA A 92 -14.319 -8.386 2.107 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.217 -5.325 3.156 1.00 0.00 C ATOM 0 H ALA A 92 -13.781 -4.409 0.862 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.608 -6.541 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.462 -5.991 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.547 -4.540 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.131 -4.875 2.769 1.00 0.00 H new ATOM 1387 N SER A 93 -15.301 -6.992 0.638 1.00 0.00 N ATOM 1388 CA SER A 93 -16.212 -8.005 0.118 1.00 0.00 C ATOM 1389 C SER A 93 -15.483 -8.965 -0.816 1.00 0.00 C ATOM 1390 O SER A 93 -15.561 -10.184 -0.657 1.00 0.00 O ATOM 1391 CB SER A 93 -17.377 -7.342 -0.621 1.00 0.00 C ATOM 1392 OG SER A 93 -18.408 -6.973 0.278 1.00 0.00 O ATOM 0 H SER A 93 -15.400 -6.074 0.205 1.00 0.00 H new ATOM 0 HA SER A 93 -16.602 -8.574 0.962 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.020 -6.459 -1.152 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.772 -8.027 -1.371 1.00 0.00 H new ATOM 0 HG SER A 93 -19.139 -6.550 -0.219 1.00 0.00 H new ATOM 1398 N VAL A 94 -14.772 -8.407 -1.790 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.026 -9.213 -2.750 1.00 0.00 C ATOM 1400 C VAL A 94 -13.194 -10.277 -2.045 1.00 0.00 C ATOM 1401 O VAL A 94 -12.542 -10.004 -1.039 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.098 -8.339 -3.615 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -11.915 -7.845 -2.796 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.625 -9.112 -4.837 1.00 0.00 C ATOM 0 H VAL A 94 -14.696 -7.400 -1.936 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.759 -9.698 -3.394 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.660 -7.471 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.270 -7.229 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.276 -7.253 -1.955 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.350 -8.699 -2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.971 -8.479 -5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.079 -9.999 -4.517 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.486 -9.412 -5.434 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.220 -11.493 -2.582 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.463 -12.582 -1.992 1.00 0.00 C ATOM 1416 C GLY A 95 -10.966 -12.392 -2.136 1.00 0.00 C ATOM 1417 O GLY A 95 -10.194 -12.831 -1.284 1.00 0.00 O ATOM 0 H GLY A 95 -13.752 -11.744 -3.415 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.716 -12.665 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.754 -13.520 -2.464 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.556 -11.737 -3.217 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.141 -11.493 -3.470 1.00 0.00 C ATOM 1423 C GLU A 96 -8.954 -10.562 -4.665 1.00 0.00 C ATOM 1424 O GLU A 96 -9.523 -10.766 -5.738 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.409 -12.814 -3.721 1.00 0.00 C ATOM 1426 CG GLU A 96 -6.992 -12.636 -4.239 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.305 -13.958 -4.524 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.636 -14.956 -3.851 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -5.437 -13.993 -5.421 1.00 0.00 O ATOM 0 H GLU A 96 -11.183 -11.366 -3.931 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.719 -11.013 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.378 -13.385 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.978 -13.404 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.015 -12.039 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.409 -12.078 -3.507 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.138 -9.514 -4.475 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.857 -8.530 -5.525 1.00 0.00 C ATOM 1438 C PRO A 97 -7.011 -9.111 -6.652 1.00 0.00 C ATOM 1439 O PRO A 97 -6.301 -10.098 -6.463 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.085 -7.434 -4.786 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.463 -8.127 -3.623 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.427 -9.210 -3.223 1.00 0.00 C ATOM 0 HA PRO A 97 -8.768 -8.177 -6.008 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.329 -6.981 -5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.749 -6.633 -4.461 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.494 -8.547 -3.892 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.293 -7.433 -2.800 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.908 -10.086 -2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.111 -8.872 -2.445 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.090 -8.491 -7.825 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.329 -8.946 -8.983 1.00 0.00 C ATOM 1452 C ASP A 98 -4.886 -8.459 -8.910 1.00 0.00 C ATOM 1453 O ASP A 98 -4.628 -7.261 -8.788 1.00 0.00 O ATOM 1454 CB ASP A 98 -6.982 -8.452 -10.275 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.535 -9.243 -11.489 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.352 -9.126 -11.869 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.369 -9.978 -12.058 1.00 0.00 O ATOM 0 H ASP A 98 -7.673 -7.672 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.326 -10.036 -8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.066 -8.520 -10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.740 -7.399 -10.422 1.00 0.00 H new ATOM 1462 N LYS A 99 -3.946 -9.396 -8.984 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.528 -9.064 -8.926 1.00 0.00 C ATOM 1464 C LYS A 99 -2.225 -7.821 -9.758 1.00 0.00 C ATOM 1465 O LYS A 99 -1.727 -6.821 -9.241 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.686 -10.241 -9.424 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.190 -10.016 -9.297 1.00 0.00 C ATOM 1468 CD LYS A 99 0.261 -10.067 -7.846 1.00 0.00 C ATOM 1469 CE LYS A 99 0.646 -11.478 -7.431 1.00 0.00 C ATOM 1470 NZ LYS A 99 0.548 -11.669 -5.958 1.00 0.00 N ATOM 0 H LYS A 99 -4.142 -10.392 -9.084 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.272 -8.856 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.959 -11.135 -8.863 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -1.928 -10.434 -10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.343 -10.774 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.071 -9.049 -9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.112 -9.400 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.540 -9.703 -7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.003 -12.194 -7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.665 -11.687 -7.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.246 -12.377 -5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.737 -10.766 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -0.408 -11.997 -5.713 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.531 -7.891 -11.049 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.294 -6.771 -11.953 1.00 0.00 C ATOM 1486 C LEU A 100 -2.773 -5.462 -11.335 1.00 0.00 C ATOM 1487 O LEU A 100 -1.971 -4.580 -11.025 1.00 0.00 O ATOM 1488 CB LEU A 100 -3.003 -7.008 -13.288 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.251 -7.868 -14.304 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.174 -8.283 -15.439 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.042 -7.119 -14.845 1.00 0.00 C ATOM 0 H LEU A 100 -2.944 -8.711 -11.493 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.221 -6.698 -12.127 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.966 -7.477 -13.087 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.209 -6.040 -13.744 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.900 -8.769 -13.800 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.621 -8.894 -16.152 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.008 -8.858 -15.038 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.555 -7.394 -15.942 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.519 -7.746 -15.567 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.371 -6.201 -15.333 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.369 -6.872 -14.024 1.00 0.00 H new ATOM 1503 N SER A 101 -4.084 -5.342 -11.157 1.00 0.00 N ATOM 1504 CA SER A 101 -4.671 -4.139 -10.577 1.00 0.00 C ATOM 1505 C SER A 101 -3.862 -3.667 -9.372 1.00 0.00 C ATOM 1506 O SER A 101 -3.405 -2.526 -9.327 1.00 0.00 O ATOM 1507 CB SER A 101 -6.120 -4.402 -10.162 1.00 0.00 C ATOM 1508 OG SER A 101 -6.859 -4.977 -11.226 1.00 0.00 O ATOM 0 H SER A 101 -4.761 -6.063 -11.406 1.00 0.00 H new ATOM 0 HA SER A 101 -4.654 -3.355 -11.334 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.139 -5.069 -9.300 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.588 -3.468 -9.853 1.00 0.00 H new ATOM 0 HG SER A 101 -7.781 -5.137 -10.935 1.00 0.00 H new ATOM 1514 N MET A 102 -3.690 -4.555 -8.399 1.00 0.00 N ATOM 1515 CA MET A 102 -2.936 -4.230 -7.193 1.00 0.00 C ATOM 1516 C MET A 102 -1.565 -3.663 -7.547 1.00 0.00 C ATOM 1517 O MET A 102 -1.265 -2.506 -7.248 1.00 0.00 O ATOM 1518 CB MET A 102 -2.775 -5.474 -6.316 1.00 0.00 C ATOM 1519 CG MET A 102 -4.062 -5.903 -5.629 1.00 0.00 C ATOM 1520 SD MET A 102 -4.760 -4.606 -4.590 1.00 0.00 S ATOM 1521 CE MET A 102 -3.453 -4.398 -3.383 1.00 0.00 C ATOM 0 H MET A 102 -4.062 -5.505 -8.421 1.00 0.00 H new ATOM 0 HA MET A 102 -3.492 -3.473 -6.639 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.409 -6.297 -6.930 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.016 -5.279 -5.559 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.793 -6.192 -6.384 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.867 -6.786 -5.020 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.737 -3.626 -2.668 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.291 -5.338 -2.856 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.534 -4.103 -3.889 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.736 -4.483 -8.184 1.00 0.00 N ATOM 1532 CA VAL A 103 0.603 -4.062 -8.578 1.00 0.00 C ATOM 1533 C VAL A 103 0.576 -2.684 -9.231 1.00 0.00 C ATOM 1534 O VAL A 103 1.202 -1.743 -8.744 1.00 0.00 O ATOM 1535 CB VAL A 103 1.243 -5.067 -9.554 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.615 -4.582 -9.997 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.337 -6.444 -8.914 1.00 0.00 C ATOM 0 H VAL A 103 -0.968 -5.443 -8.438 1.00 0.00 H new ATOM 0 HA VAL A 103 1.201 -4.019 -7.668 1.00 0.00 H new ATOM 0 HB VAL A 103 0.609 -5.144 -10.437 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.051 -5.305 -10.686 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.516 -3.618 -10.497 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.262 -4.475 -9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.791 -7.142 -9.617 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.949 -6.386 -8.014 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.338 -6.792 -8.652 1.00 0.00 H new ATOM 1547 N MET A 104 -0.154 -2.573 -10.335 1.00 0.00 N ATOM 1548 CA MET A 104 -0.265 -1.309 -11.054 1.00 0.00 C ATOM 1549 C MET A 104 -0.656 -0.178 -10.109 1.00 0.00 C ATOM 1550 O MET A 104 0.132 0.733 -9.855 1.00 0.00 O ATOM 1551 CB MET A 104 -1.293 -1.427 -12.181 1.00 0.00 C ATOM 1552 CG MET A 104 -0.784 -2.195 -13.390 1.00 0.00 C ATOM 1553 SD MET A 104 -1.627 -1.729 -14.914 1.00 0.00 S ATOM 1554 CE MET A 104 -2.792 -3.079 -15.083 1.00 0.00 C ATOM 0 H MET A 104 -0.678 -3.343 -10.752 1.00 0.00 H new ATOM 0 HA MET A 104 0.710 -1.078 -11.484 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.186 -1.920 -11.797 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.592 -0.427 -12.495 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.286 -2.020 -13.503 1.00 0.00 H new ATOM 0 HG3 MET A 104 -0.916 -3.263 -13.219 1.00 0.00 H new ATOM 0 HE1 MET A 104 -3.389 -2.934 -15.983 1.00 0.00 H new ATOM 0 HE2 MET A 104 -2.249 -4.021 -15.156 1.00 0.00 H new ATOM 0 HE3 MET A 104 -3.448 -3.105 -14.213 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.878 -0.243 -9.591 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.375 0.778 -8.675 1.00 0.00 C ATOM 1566 C TYR A 105 -1.296 1.185 -7.676 1.00 0.00 C ATOM 1567 O TYR A 105 -1.066 2.372 -7.441 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.609 0.267 -7.931 1.00 0.00 C ATOM 1569 CG TYR A 105 -4.046 1.164 -6.794 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.577 2.423 -7.042 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.927 0.752 -5.473 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.976 3.247 -6.007 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -4.325 1.568 -4.431 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.848 2.814 -4.704 1.00 0.00 C ATOM 1575 OH TYR A 105 -5.246 3.631 -3.670 1.00 0.00 O ATOM 0 H TYR A 105 -2.542 -0.991 -9.789 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.650 1.655 -9.262 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.432 0.164 -8.638 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.400 -0.728 -7.538 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.680 2.764 -8.062 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -3.516 -0.223 -5.256 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.386 4.224 -6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -4.227 1.232 -3.409 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.072 3.281 -3.276 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.637 0.191 -7.090 1.00 0.00 N ATOM 1586 CA LEU A 106 0.419 0.443 -6.116 1.00 0.00 C ATOM 1587 C LEU A 106 1.584 1.190 -6.756 1.00 0.00 C ATOM 1588 O LEU A 106 2.263 1.984 -6.103 1.00 0.00 O ATOM 1589 CB LEU A 106 0.911 -0.875 -5.515 1.00 0.00 C ATOM 1590 CG LEU A 106 -0.083 -1.618 -4.622 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.319 -3.077 -4.475 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.179 -0.950 -3.259 1.00 0.00 C ATOM 0 H LEU A 106 -0.815 -0.797 -7.272 1.00 0.00 H new ATOM 0 HA LEU A 106 0.006 1.065 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.201 -1.537 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.810 -0.673 -4.933 1.00 0.00 H new ATOM 0 HG LEU A 106 -1.065 -1.578 -5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.400 -3.590 -3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.335 -3.551 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.311 -3.138 -4.027 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.891 -1.493 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.800 -0.958 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.515 0.080 -3.381 1.00 0.00 H new ATOM 1604 N THR A 107 1.811 0.932 -8.041 1.00 0.00 N ATOM 1605 CA THR A 107 2.893 1.580 -8.771 1.00 0.00 C ATOM 1606 C THR A 107 3.014 3.050 -8.385 1.00 0.00 C ATOM 1607 O THR A 107 4.054 3.487 -7.893 1.00 0.00 O ATOM 1608 CB THR A 107 2.685 1.476 -10.294 1.00 0.00 C ATOM 1609 OG1 THR A 107 2.532 0.105 -10.675 1.00 0.00 O ATOM 1610 CG2 THR A 107 3.858 2.089 -11.043 1.00 0.00 C ATOM 0 H THR A 107 1.259 0.279 -8.597 1.00 0.00 H new ATOM 0 HA THR A 107 3.812 1.060 -8.501 1.00 0.00 H new ATOM 0 HB THR A 107 1.781 2.027 -10.554 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.559 0.032 -11.652 1.00 0.00 H new ATOM 0 HG21 THR A 107 3.689 2.004 -12.116 1.00 0.00 H new ATOM 0 HG22 THR A 107 3.953 3.141 -10.773 1.00 0.00 H new ATOM 0 HG23 THR A 107 4.775 1.562 -10.777 1.00 0.00 H new ATOM 1618 N GLN A 108 1.945 3.806 -8.610 1.00 0.00 N ATOM 1619 CA GLN A 108 1.933 5.227 -8.285 1.00 0.00 C ATOM 1620 C GLN A 108 2.563 5.479 -6.919 1.00 0.00 C ATOM 1621 O GLN A 108 3.485 6.284 -6.788 1.00 0.00 O ATOM 1622 CB GLN A 108 0.501 5.765 -8.306 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.286 5.352 -9.540 1.00 0.00 C ATOM 1624 CD GLN A 108 -1.076 4.075 -9.328 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -0.653 2.995 -9.740 1.00 0.00 O ATOM 1626 NE2 GLN A 108 -2.230 4.194 -8.683 1.00 0.00 N ATOM 0 H GLN A 108 1.076 3.459 -9.016 1.00 0.00 H new ATOM 0 HA GLN A 108 2.522 5.751 -9.038 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.023 5.414 -7.417 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.530 6.853 -8.251 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.969 6.155 -9.817 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.401 5.215 -10.375 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -2.541 5.110 -8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.805 3.370 -8.511 1.00 0.00 H new ATOM 1635 N PHE A 109 2.059 4.785 -5.904 1.00 0.00 N ATOM 1636 CA PHE A 109 2.572 4.934 -4.547 1.00 0.00 C ATOM 1637 C PHE A 109 4.082 4.719 -4.510 1.00 0.00 C ATOM 1638 O PHE A 109 4.814 5.483 -3.879 1.00 0.00 O ATOM 1639 CB PHE A 109 1.881 3.944 -3.607 1.00 0.00 C ATOM 1640 CG PHE A 109 0.430 4.253 -3.372 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.533 3.856 -4.286 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.029 4.941 -2.238 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.869 4.140 -4.073 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -1.306 5.227 -2.020 1.00 0.00 C ATOM 1645 CZ PHE A 109 -2.256 4.825 -2.938 1.00 0.00 C ATOM 0 H PHE A 109 1.296 4.114 -5.995 1.00 0.00 H new ATOM 0 HA PHE A 109 2.359 5.950 -4.214 1.00 0.00 H new ATOM 0 HB2 PHE A 109 1.968 2.940 -4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.403 3.939 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -0.236 3.319 -5.175 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.768 5.257 -1.516 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.610 3.826 -4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.606 5.764 -1.132 1.00 0.00 H new ATOM 0 HZ PHE A 109 -3.300 5.046 -2.769 1.00 0.00 H new ATOM 1655 N TYR A 110 4.542 3.674 -5.188 1.00 0.00 N ATOM 1656 CA TYR A 110 5.964 3.355 -5.231 1.00 0.00 C ATOM 1657 C TYR A 110 6.747 4.452 -5.947 1.00 0.00 C ATOM 1658 O TYR A 110 7.584 5.124 -5.347 1.00 0.00 O ATOM 1659 CB TYR A 110 6.187 2.014 -5.931 1.00 0.00 C ATOM 1660 CG TYR A 110 7.516 1.917 -6.646 1.00 0.00 C ATOM 1661 CD1 TYR A 110 8.687 1.657 -5.946 1.00 0.00 C ATOM 1662 CD2 TYR A 110 7.600 2.085 -8.023 1.00 0.00 C ATOM 1663 CE1 TYR A 110 9.903 1.569 -6.595 1.00 0.00 C ATOM 1664 CE2 TYR A 110 8.811 1.997 -8.681 1.00 0.00 C ATOM 1665 CZ TYR A 110 9.960 1.740 -7.962 1.00 0.00 C ATOM 1666 OH TYR A 110 11.169 1.652 -8.613 1.00 0.00 O ATOM 0 H TYR A 110 3.950 3.033 -5.716 1.00 0.00 H new ATOM 0 HA TYR A 110 6.326 3.286 -4.205 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.121 1.214 -5.194 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.384 1.851 -6.650 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.646 1.521 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 110 6.703 2.288 -8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 110 10.804 1.367 -6.035 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.858 2.129 -9.752 1.00 0.00 H new ATOM 0 HH TYR A 110 11.035 1.796 -9.573 1.00 0.00 H new ATOM 1676 N GLU A 111 6.466 4.626 -7.235 1.00 0.00 N ATOM 1677 CA GLU A 111 7.143 5.640 -8.033 1.00 0.00 C ATOM 1678 C GLU A 111 7.105 6.997 -7.335 1.00 0.00 C ATOM 1679 O GLU A 111 8.004 7.819 -7.506 1.00 0.00 O ATOM 1680 CB GLU A 111 6.497 5.748 -9.416 1.00 0.00 C ATOM 1681 CG GLU A 111 6.737 4.533 -10.296 1.00 0.00 C ATOM 1682 CD GLU A 111 6.349 4.773 -11.742 1.00 0.00 C ATOM 1683 OE1 GLU A 111 5.339 5.468 -11.978 1.00 0.00 O ATOM 1684 OE2 GLU A 111 7.056 4.266 -12.638 1.00 0.00 O ATOM 0 H GLU A 111 5.775 4.078 -7.747 1.00 0.00 H new ATOM 0 HA GLU A 111 8.184 5.339 -8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.423 5.893 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.884 6.634 -9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.790 4.257 -10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 111 6.168 3.689 -9.906 1.00 0.00 H new ATOM 1691 N MET A 112 6.057 7.222 -6.550 1.00 0.00 N ATOM 1692 CA MET A 112 5.902 8.479 -5.826 1.00 0.00 C ATOM 1693 C MET A 112 6.987 8.632 -4.764 1.00 0.00 C ATOM 1694 O MET A 112 7.427 9.743 -4.468 1.00 0.00 O ATOM 1695 CB MET A 112 4.520 8.548 -5.173 1.00 0.00 C ATOM 1696 CG MET A 112 4.326 9.771 -4.291 1.00 0.00 C ATOM 1697 SD MET A 112 3.997 11.268 -5.241 1.00 0.00 S ATOM 1698 CE MET A 112 2.449 10.834 -6.032 1.00 0.00 C ATOM 0 H MET A 112 5.303 6.552 -6.399 1.00 0.00 H new ATOM 0 HA MET A 112 6.000 9.296 -6.541 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.758 8.548 -5.953 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.364 7.650 -4.575 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.498 9.592 -3.605 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.218 9.920 -3.682 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.882 11.741 -6.244 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.652 10.306 -6.964 1.00 0.00 H new ATOM 0 HE3 MET A 112 1.870 10.191 -5.370 1.00 0.00 H new ATOM 1708 N PHE A 113 7.414 7.510 -4.195 1.00 0.00 N ATOM 1709 CA PHE A 113 8.447 7.520 -3.165 1.00 0.00 C ATOM 1710 C PHE A 113 9.547 6.514 -3.489 1.00 0.00 C ATOM 1711 O PHE A 113 10.201 5.981 -2.592 1.00 0.00 O ATOM 1712 CB PHE A 113 7.837 7.204 -1.798 1.00 0.00 C ATOM 1713 CG PHE A 113 6.627 8.033 -1.475 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.710 9.415 -1.429 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.406 7.430 -1.218 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.598 10.180 -1.131 1.00 0.00 C ATOM 1717 CE2 PHE A 113 4.291 8.190 -0.920 1.00 0.00 C ATOM 1718 CZ PHE A 113 4.387 9.568 -0.878 1.00 0.00 C ATOM 0 H PHE A 113 7.061 6.582 -4.429 1.00 0.00 H new ATOM 0 HA PHE A 113 8.887 8.517 -3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.564 6.149 -1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.592 7.361 -1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.654 9.900 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.325 6.354 -1.251 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.677 11.257 -1.096 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.346 7.708 -0.720 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.517 10.165 -0.648 1.00 0.00 H new ATOM 1728 N LYS A 114 9.746 6.258 -4.777 1.00 0.00 N ATOM 1729 CA LYS A 114 10.767 5.316 -5.222 1.00 0.00 C ATOM 1730 C LYS A 114 12.141 5.978 -5.252 1.00 0.00 C ATOM 1731 O LYS A 114 13.167 5.299 -5.272 1.00 0.00 O ATOM 1732 CB LYS A 114 10.420 4.774 -6.610 1.00 0.00 C ATOM 1733 CG LYS A 114 10.657 5.772 -7.730 1.00 0.00 C ATOM 1734 CD LYS A 114 10.773 5.080 -9.078 1.00 0.00 C ATOM 1735 CE LYS A 114 10.786 6.084 -10.220 1.00 0.00 C ATOM 1736 NZ LYS A 114 11.089 5.435 -11.526 1.00 0.00 N ATOM 0 H LYS A 114 9.213 6.690 -5.532 1.00 0.00 H new ATOM 0 HA LYS A 114 10.797 4.489 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.013 3.880 -6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.373 4.470 -6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 114 9.838 6.490 -7.758 1.00 0.00 H new ATOM 0 HG3 LYS A 114 11.568 6.336 -7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.686 4.484 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.939 4.391 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 114 9.818 6.581 -10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.529 6.855 -10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.089 6.153 -12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.024 4.982 -11.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.366 4.716 -11.733 1.00 0.00 H new