USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 130 CYS SG : rot 116:sc= -1.57 USER MOD Set 2.1: A 40 ASN : amide:sc= -3.41! C(o=-3.4!,f=-4.2!) USER MOD Set 2.2: A 113 MET CE :methyl -151:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.116 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.036 F(o=-1.2!,f=-0.036) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= -0.0172 (180deg=-0.261) USER MOD Single : A 37 SER OG : rot 180:sc= -0.213 USER MOD Single : A 42 THR OG1 : rot 163:sc= 0.647 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot -19:sc= -5.42! USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 52 GLN : amide:sc= -1.12 K(o=-1.1,f=-5!) USER MOD Single : A 56 SER OG : rot 76:sc= -0.084 USER MOD Single : A 58 THR OG1 : rot -18:sc= 0.0404 USER MOD Single : A 59 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 60 GLN : amide:sc= 0.435 K(o=0.44,f=-0.08) USER MOD Single : A 63 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.19) USER MOD Single : A 67 ASN : amide:sc= -0.424 X(o=-0.42,f=-0.38) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.196 K(o=-0.2,f=-3.7!) USER MOD Single : A 74 SER OG : rot 170:sc= -0.504 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0088 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 79 SER OG : rot 150:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= 0 F(o=-0.81,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.015 X(o=-0.015,f=-0.015) USER MOD Single : A 101 MET CE :methyl -165:sc= -1.08 (180deg=-1.8) USER MOD Single : A 105 GLN : amide:sc= -2.56! C(o=-2.6!,f=-4.5!) USER MOD Single : A 106 GLN : amide:sc= -0.284 K(o=-0.28,f=-7.2!) USER MOD Single : A 108 GLN : amide:sc= -0.736 K(o=-0.74,f=-3.6!) USER MOD Single : A 111 ASN : amide:sc= 0.197 K(o=0.2,f=-0.34) USER MOD Single : A 114 LYS NZ :NH3+ -112:sc= 0.515 (180deg=-0.0161) USER MOD Single : A 117 SER OG : rot 133:sc= 1.35 USER MOD Single : A 118 TYR OH : rot 4:sc= 0.0586 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 76:sc= 0.95 USER MOD Single : A 127 TYR OH : rot 180:sc= -0.894 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -12.942 -3.245 -5.799 1.00 0.00 N ATOM 107 CA VAL A 8 -12.229 -2.030 -5.399 1.00 0.00 C ATOM 108 C VAL A 8 -12.482 -1.691 -3.925 1.00 0.00 C ATOM 109 O VAL A 8 -11.794 -0.856 -3.348 1.00 0.00 O ATOM 110 CB VAL A 8 -12.611 -0.816 -6.286 1.00 0.00 C ATOM 111 CG1 VAL A 8 -12.295 -1.100 -7.754 1.00 0.00 C ATOM 112 CG2 VAL A 8 -14.082 -0.443 -6.107 1.00 0.00 C ATOM 0 HA VAL A 8 -11.167 -2.236 -5.536 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.011 0.036 -5.966 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.570 -0.236 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.229 -1.296 -7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.860 -1.971 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.321 0.411 -6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -14.709 -1.290 -6.388 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.267 -0.184 -5.065 1.00 0.00 H new ATOM 122 N ALA A 9 -13.466 -2.351 -3.316 1.00 0.00 N ATOM 123 CA ALA A 9 -13.788 -2.115 -1.907 1.00 0.00 C ATOM 124 C ALA A 9 -12.688 -2.656 -0.997 1.00 0.00 C ATOM 125 O ALA A 9 -12.633 -2.336 0.189 1.00 0.00 O ATOM 126 CB ALA A 9 -15.131 -2.742 -1.551 1.00 0.00 C ATOM 0 H ALA A 9 -14.052 -3.050 -3.772 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.857 -1.038 -1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.352 -2.556 -0.500 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.913 -2.303 -2.170 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.089 -3.817 -1.728 1.00 0.00 H new ATOM 132 N SER A 10 -11.808 -3.472 -1.572 1.00 0.00 N ATOM 133 CA SER A 10 -10.699 -4.067 -0.835 1.00 0.00 C ATOM 134 C SER A 10 -9.785 -2.991 -0.235 1.00 0.00 C ATOM 135 O SER A 10 -9.049 -3.254 0.721 1.00 0.00 O ATOM 136 CB SER A 10 -9.899 -4.980 -1.768 1.00 0.00 C ATOM 137 OG SER A 10 -10.757 -5.892 -2.440 1.00 0.00 O ATOM 0 H SER A 10 -11.844 -3.738 -2.556 1.00 0.00 H new ATOM 0 HA SER A 10 -11.107 -4.652 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.358 -4.378 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.154 -5.531 -1.194 1.00 0.00 H new ATOM 0 HG SER A 10 -10.226 -6.465 -3.032 1.00 0.00 H new ATOM 143 N TRP A 11 -9.849 -1.781 -0.792 1.00 0.00 N ATOM 144 CA TRP A 11 -9.016 -0.673 -0.333 1.00 0.00 C ATOM 145 C TRP A 11 -9.299 -0.357 1.136 1.00 0.00 C ATOM 146 O TRP A 11 -8.379 -0.225 1.938 1.00 0.00 O ATOM 147 CB TRP A 11 -9.268 0.586 -1.174 1.00 0.00 C ATOM 148 CG TRP A 11 -9.121 0.393 -2.656 1.00 0.00 C ATOM 149 CD1 TRP A 11 -8.463 -0.612 -3.310 1.00 0.00 C ATOM 150 CD2 TRP A 11 -9.644 1.254 -3.669 1.00 0.00 C ATOM 151 NE1 TRP A 11 -8.561 -0.428 -4.669 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.281 0.714 -4.913 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.390 2.429 -3.636 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -9.643 1.314 -6.115 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -10.749 3.027 -4.824 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.376 2.468 -6.055 1.00 0.00 C ATOM 0 H TRP A 11 -10.472 -1.545 -1.564 1.00 0.00 H new ATOM 0 HA TRP A 11 -7.975 -0.976 -0.444 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.275 0.949 -0.967 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.576 1.365 -0.853 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -7.944 -1.429 -2.830 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.163 -1.041 -5.380 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.683 2.865 -2.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.355 0.884 -7.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.326 3.940 -4.807 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.672 2.957 -6.971 1.00 0.00 H new ATOM 167 N ALA A 12 -10.586 -0.261 1.478 1.00 0.00 N ATOM 168 CA ALA A 12 -11.006 0.131 2.826 1.00 0.00 C ATOM 169 C ALA A 12 -10.825 -1.009 3.826 1.00 0.00 C ATOM 170 O ALA A 12 -11.051 -0.834 5.027 1.00 0.00 O ATOM 171 CB ALA A 12 -12.458 0.598 2.815 1.00 0.00 C ATOM 0 H ALA A 12 -11.358 -0.450 0.838 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.369 0.956 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.755 0.886 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.560 1.454 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.098 -0.212 2.465 1.00 0.00 H new ATOM 177 N LEU A 13 -10.432 -2.176 3.328 1.00 0.00 N ATOM 178 CA LEU A 13 -10.185 -3.331 4.184 1.00 0.00 C ATOM 179 C LEU A 13 -8.760 -3.286 4.730 1.00 0.00 C ATOM 180 O LEU A 13 -8.521 -3.599 5.900 1.00 0.00 O ATOM 181 CB LEU A 13 -10.422 -4.638 3.414 1.00 0.00 C ATOM 182 CG LEU A 13 -11.845 -4.823 2.854 1.00 0.00 C ATOM 183 CD1 LEU A 13 -11.973 -6.160 2.126 1.00 0.00 C ATOM 184 CD2 LEU A 13 -12.888 -4.711 3.966 1.00 0.00 C ATOM 0 H LEU A 13 -10.277 -2.348 2.335 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.883 -3.297 5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.714 -4.686 2.586 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.197 -5.475 4.075 1.00 0.00 H new ATOM 0 HG LEU A 13 -12.030 -4.025 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.986 -6.268 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.264 -6.193 1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.760 -6.974 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.884 -4.845 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -12.704 -5.480 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.820 -3.727 4.431 1.00 0.00 H new ATOM 196 N SER A 14 -7.818 -2.889 3.878 1.00 0.00 N ATOM 197 CA SER A 14 -6.413 -2.795 4.261 1.00 0.00 C ATOM 198 C SER A 14 -5.675 -1.808 3.359 1.00 0.00 C ATOM 199 O SER A 14 -5.839 -1.827 2.135 1.00 0.00 O ATOM 200 CB SER A 14 -5.742 -4.170 4.182 1.00 0.00 C ATOM 201 OG SER A 14 -6.401 -5.121 5.005 1.00 0.00 O ATOM 0 H SER A 14 -8.005 -2.626 2.911 1.00 0.00 H new ATOM 0 HA SER A 14 -6.366 -2.436 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.745 -4.518 3.149 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.699 -4.085 4.487 1.00 0.00 H new ATOM 0 HG SER A 14 -5.949 -5.987 4.930 1.00 0.00 H new ATOM 207 N PHE A 15 -4.843 -0.971 3.970 1.00 0.00 N ATOM 208 CA PHE A 15 -4.096 0.052 3.243 1.00 0.00 C ATOM 209 C PHE A 15 -3.138 -0.589 2.244 1.00 0.00 C ATOM 210 O PHE A 15 -2.988 -0.107 1.129 1.00 0.00 O ATOM 211 CB PHE A 15 -3.331 0.957 4.226 1.00 0.00 C ATOM 212 CG PHE A 15 -2.573 2.095 3.573 1.00 0.00 C ATOM 213 CD1 PHE A 15 -3.088 2.753 2.461 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.345 2.509 4.075 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.397 3.794 1.870 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.653 3.549 3.485 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.179 4.192 2.382 1.00 0.00 C ATOM 0 H PHE A 15 -4.668 -0.981 4.975 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.804 0.667 2.688 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.039 1.373 4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.627 0.345 4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.040 2.446 2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.926 2.011 4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.810 4.296 1.008 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.300 3.859 3.887 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.638 5.005 1.921 1.00 0.00 H new ATOM 227 N GLU A 16 -2.498 -1.684 2.649 1.00 0.00 N ATOM 228 CA GLU A 16 -1.562 -2.393 1.783 1.00 0.00 C ATOM 229 C GLU A 16 -2.252 -2.941 0.531 1.00 0.00 C ATOM 230 O GLU A 16 -1.648 -2.991 -0.539 1.00 0.00 O ATOM 231 CB GLU A 16 -0.816 -3.491 2.565 1.00 0.00 C ATOM 232 CG GLU A 16 -1.697 -4.467 3.346 1.00 0.00 C ATOM 233 CD GLU A 16 -2.241 -5.600 2.499 1.00 0.00 C ATOM 234 OE1 GLU A 16 -1.465 -6.198 1.727 1.00 0.00 O ATOM 235 OE2 GLU A 16 -3.445 -5.896 2.596 1.00 0.00 O ATOM 0 H GLU A 16 -2.612 -2.099 3.574 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.817 -1.677 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.208 -4.062 1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.130 -3.011 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.120 -4.885 4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.531 -3.920 3.786 1.00 0.00 H new ATOM 242 N ARG A 17 -3.518 -3.332 0.663 1.00 0.00 N ATOM 243 CA ARG A 17 -4.313 -3.740 -0.505 1.00 0.00 C ATOM 244 C ARG A 17 -4.468 -2.570 -1.471 1.00 0.00 C ATOM 245 O ARG A 17 -4.282 -2.722 -2.675 1.00 0.00 O ATOM 246 CB ARG A 17 -5.705 -4.266 -0.107 1.00 0.00 C ATOM 247 CG ARG A 17 -5.721 -5.679 0.481 1.00 0.00 C ATOM 248 CD ARG A 17 -5.020 -6.698 -0.423 1.00 0.00 C ATOM 249 NE ARG A 17 -3.562 -6.633 -0.293 1.00 0.00 N ATOM 250 CZ ARG A 17 -2.691 -6.988 -1.241 1.00 0.00 C ATOM 251 NH1 ARG A 17 -3.107 -7.441 -2.415 1.00 0.00 N ATOM 252 NH2 ARG A 17 -1.392 -6.895 -1.000 1.00 0.00 N ATOM 0 H ARG A 17 -4.015 -3.377 1.553 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.775 -4.554 -0.990 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -6.141 -3.581 0.621 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.348 -4.248 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -5.235 -5.669 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.753 -5.990 0.642 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -5.362 -7.702 -0.172 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -5.300 -6.516 -1.460 1.00 0.00 H new ATOM 0 HE ARG A 17 -3.183 -6.290 0.590 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.106 -7.523 -2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.428 -7.708 -3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.064 -6.554 -0.096 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.720 -7.164 -1.718 1.00 0.00 H new ATOM 266 N LEU A 18 -4.809 -1.407 -0.923 1.00 0.00 N ATOM 267 CA LEU A 18 -4.968 -0.182 -1.712 1.00 0.00 C ATOM 268 C LEU A 18 -3.642 0.247 -2.334 1.00 0.00 C ATOM 269 O LEU A 18 -3.558 0.558 -3.522 1.00 0.00 O ATOM 270 CB LEU A 18 -5.492 0.949 -0.807 1.00 0.00 C ATOM 271 CG LEU A 18 -5.401 2.374 -1.393 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.353 2.552 -2.572 1.00 0.00 C ATOM 273 CD2 LEU A 18 -5.670 3.419 -0.312 1.00 0.00 C ATOM 0 H LEU A 18 -4.983 -1.284 0.075 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.679 -0.382 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.534 0.742 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.936 0.926 0.130 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.387 2.519 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.264 3.566 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.099 1.839 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.377 2.378 -2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.601 4.417 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.669 3.270 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.932 3.317 0.484 1.00 0.00 H new ATOM 285 N LEU A 19 -2.610 0.235 -1.507 1.00 0.00 N ATOM 286 CA LEU A 19 -1.331 0.847 -1.830 1.00 0.00 C ATOM 287 C LEU A 19 -0.495 -0.032 -2.757 1.00 0.00 C ATOM 288 O LEU A 19 0.366 0.462 -3.480 1.00 0.00 O ATOM 289 CB LEU A 19 -0.573 1.138 -0.528 1.00 0.00 C ATOM 290 CG LEU A 19 0.712 1.956 -0.682 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.429 3.275 -1.400 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.363 2.211 0.673 1.00 0.00 C ATOM 0 H LEU A 19 -2.636 -0.203 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.518 1.778 -2.365 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.241 1.668 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.324 0.189 -0.053 1.00 0.00 H new ATOM 0 HG LEU A 19 1.409 1.377 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.355 3.841 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.021 3.070 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.291 3.856 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.274 2.794 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.672 2.763 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.609 1.259 1.143 1.00 0.00 H new ATOM 304 N GLN A 20 -0.744 -1.335 -2.735 1.00 0.00 N ATOM 305 CA GLN A 20 0.002 -2.266 -3.582 1.00 0.00 C ATOM 306 C GLN A 20 -0.831 -2.684 -4.798 1.00 0.00 C ATOM 307 O GLN A 20 -0.410 -3.523 -5.599 1.00 0.00 O ATOM 308 CB GLN A 20 0.444 -3.489 -2.763 1.00 0.00 C ATOM 309 CG GLN A 20 1.439 -4.396 -3.485 1.00 0.00 C ATOM 310 CD GLN A 20 2.005 -5.493 -2.597 1.00 0.00 C ATOM 311 OE1 GLN A 20 2.165 -5.204 -1.316 1.00 0.00 O flip ATOM 312 NE2 GLN A 20 2.316 -6.589 -3.067 1.00 0.00 N flip ATOM 0 H GLN A 20 -1.452 -1.772 -2.145 1.00 0.00 H new ATOM 0 HA GLN A 20 0.895 -1.762 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.892 -3.146 -1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.437 -4.073 -2.497 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.948 -4.851 -4.345 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.259 -3.790 -3.870 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.178 -6.776 -4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.711 -7.309 -2.463 1.00 0.00 H new ATOM 321 N ASP A 21 -2.010 -2.083 -4.943 1.00 0.00 N ATOM 322 CA ASP A 21 -2.875 -2.355 -6.090 1.00 0.00 C ATOM 323 C ASP A 21 -2.705 -1.252 -7.130 1.00 0.00 C ATOM 324 O ASP A 21 -2.774 -0.073 -6.790 1.00 0.00 O ATOM 325 CB ASP A 21 -4.344 -2.436 -5.655 1.00 0.00 C ATOM 326 CG ASP A 21 -5.256 -2.948 -6.761 1.00 0.00 C ATOM 327 OD1 ASP A 21 -5.386 -4.186 -6.900 1.00 0.00 O ATOM 328 OD2 ASP A 21 -5.850 -2.123 -7.487 1.00 0.00 O ATOM 0 H ASP A 21 -2.388 -1.405 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.590 -3.314 -6.523 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.427 -3.092 -4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.681 -1.448 -5.340 1.00 0.00 H new ATOM 333 N PRO A 22 -2.469 -1.608 -8.406 1.00 0.00 N ATOM 334 CA PRO A 22 -2.259 -0.618 -9.471 1.00 0.00 C ATOM 335 C PRO A 22 -3.454 0.328 -9.635 1.00 0.00 C ATOM 336 O PRO A 22 -3.285 1.543 -9.772 1.00 0.00 O ATOM 337 CB PRO A 22 -2.065 -1.476 -10.733 1.00 0.00 C ATOM 338 CG PRO A 22 -1.660 -2.821 -10.226 1.00 0.00 C ATOM 339 CD PRO A 22 -2.372 -2.991 -8.913 1.00 0.00 C ATOM 0 HA PRO A 22 -1.413 0.035 -9.256 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -2.984 -1.534 -11.316 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.300 -1.053 -11.384 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.941 -3.605 -10.929 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.579 -2.882 -10.096 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.355 -3.443 -9.043 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.814 -3.633 -8.231 1.00 0.00 H new ATOM 347 N LEU A 23 -4.656 -0.236 -9.601 1.00 0.00 N ATOM 348 CA LEU A 23 -5.879 0.540 -9.785 1.00 0.00 C ATOM 349 C LEU A 23 -6.130 1.387 -8.536 1.00 0.00 C ATOM 350 O LEU A 23 -6.480 2.570 -8.625 1.00 0.00 O ATOM 351 CB LEU A 23 -7.058 -0.415 -10.072 1.00 0.00 C ATOM 352 CG LEU A 23 -8.325 0.214 -10.697 1.00 0.00 C ATOM 353 CD1 LEU A 23 -9.228 -0.870 -11.280 1.00 0.00 C ATOM 354 CD2 LEU A 23 -9.102 1.044 -9.676 1.00 0.00 C ATOM 0 H LEU A 23 -4.811 -1.232 -9.447 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.778 1.212 -10.637 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.704 -1.201 -10.739 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.343 -0.895 -9.136 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.000 0.879 -11.497 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.115 -0.409 -11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.687 -1.418 -12.052 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.528 -1.558 -10.489 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.986 1.470 -10.151 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.408 0.407 -8.846 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.468 1.848 -9.302 1.00 0.00 H new ATOM 366 N GLY A 24 -5.916 0.776 -7.375 1.00 0.00 N ATOM 367 CA GLY A 24 -6.076 1.468 -6.112 1.00 0.00 C ATOM 368 C GLY A 24 -5.144 2.656 -5.985 1.00 0.00 C ATOM 369 O GLY A 24 -5.584 3.785 -5.743 1.00 0.00 O ATOM 0 H GLY A 24 -5.631 -0.199 -7.288 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.108 1.806 -6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.889 0.773 -5.293 1.00 0.00 H new ATOM 373 N LEU A 25 -3.854 2.398 -6.169 1.00 0.00 N ATOM 374 CA LEU A 25 -2.829 3.430 -6.067 1.00 0.00 C ATOM 375 C LEU A 25 -3.068 4.529 -7.107 1.00 0.00 C ATOM 376 O LEU A 25 -2.671 5.670 -6.904 1.00 0.00 O ATOM 377 CB LEU A 25 -1.425 2.810 -6.242 1.00 0.00 C ATOM 378 CG LEU A 25 -0.335 3.335 -5.284 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.994 2.633 -5.552 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.173 4.851 -5.390 1.00 0.00 C ATOM 0 H LEU A 25 -3.490 1.471 -6.392 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.886 3.880 -5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.506 1.731 -6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.096 2.985 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.653 3.109 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.752 3.015 -4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.876 1.560 -5.400 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.305 2.822 -6.580 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.603 5.183 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.109 5.116 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.115 5.336 -5.136 1.00 0.00 H new ATOM 392 N ALA A 26 -3.722 4.179 -8.216 1.00 0.00 N ATOM 393 CA ALA A 26 -4.067 5.163 -9.243 1.00 0.00 C ATOM 394 C ALA A 26 -5.010 6.220 -8.667 1.00 0.00 C ATOM 395 O ALA A 26 -4.768 7.428 -8.788 1.00 0.00 O ATOM 396 CB ALA A 26 -4.700 4.478 -10.452 1.00 0.00 C ATOM 0 H ALA A 26 -4.022 3.227 -8.425 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.153 5.657 -9.572 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.950 5.226 -11.205 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.996 3.760 -10.873 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.607 3.958 -10.142 1.00 0.00 H new ATOM 402 N TYR A 27 -6.077 5.758 -8.023 1.00 0.00 N ATOM 403 CA TYR A 27 -7.025 6.654 -7.365 1.00 0.00 C ATOM 404 C TYR A 27 -6.348 7.384 -6.205 1.00 0.00 C ATOM 405 O TYR A 27 -6.548 8.585 -6.007 1.00 0.00 O ATOM 406 CB TYR A 27 -8.244 5.867 -6.853 1.00 0.00 C ATOM 407 CG TYR A 27 -9.268 5.518 -7.925 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.911 4.802 -9.063 1.00 0.00 C ATOM 409 CD2 TYR A 27 -10.597 5.910 -7.791 1.00 0.00 C ATOM 410 CE1 TYR A 27 -9.847 4.490 -10.033 1.00 0.00 C ATOM 411 CE2 TYR A 27 -11.537 5.602 -8.756 1.00 0.00 C ATOM 412 CZ TYR A 27 -11.158 4.892 -9.874 1.00 0.00 C ATOM 413 OH TYR A 27 -12.095 4.585 -10.840 1.00 0.00 O ATOM 0 H TYR A 27 -6.308 4.768 -7.942 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.365 7.390 -8.094 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.896 4.945 -6.388 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -8.736 6.450 -6.075 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.887 4.485 -9.191 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.899 6.466 -6.916 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.553 3.934 -10.911 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.563 5.916 -8.634 1.00 0.00 H new ATOM 0 HH TYR A 27 -12.968 4.940 -10.573 1.00 0.00 H new ATOM 423 N PHE A 28 -5.530 6.651 -5.456 1.00 0.00 N ATOM 424 CA PHE A 28 -4.867 7.189 -4.272 1.00 0.00 C ATOM 425 C PHE A 28 -3.856 8.278 -4.644 1.00 0.00 C ATOM 426 O PHE A 28 -3.781 9.314 -3.981 1.00 0.00 O ATOM 427 CB PHE A 28 -4.175 6.058 -3.496 1.00 0.00 C ATOM 428 CG PHE A 28 -3.557 6.504 -2.192 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.353 6.757 -1.084 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.183 6.673 -2.076 1.00 0.00 C ATOM 431 CE1 PHE A 28 -3.794 7.167 0.111 1.00 0.00 C ATOM 432 CE2 PHE A 28 -1.622 7.083 -0.882 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.426 7.330 0.212 1.00 0.00 C ATOM 0 H PHE A 28 -5.309 5.674 -5.650 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.627 7.645 -3.637 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.902 5.272 -3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.399 5.620 -4.124 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.423 6.632 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.547 6.482 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.426 7.360 0.965 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.552 7.210 -0.805 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.987 7.650 1.145 1.00 0.00 H new ATOM 443 N THR A 29 -3.089 8.052 -5.709 1.00 0.00 N ATOM 444 CA THR A 29 -2.055 9.002 -6.121 1.00 0.00 C ATOM 445 C THR A 29 -2.698 10.302 -6.603 1.00 0.00 C ATOM 446 O THR A 29 -2.142 11.380 -6.412 1.00 0.00 O ATOM 447 CB THR A 29 -1.115 8.420 -7.217 1.00 0.00 C ATOM 448 OG1 THR A 29 0.044 9.255 -7.378 1.00 0.00 O ATOM 449 CG2 THR A 29 -1.821 8.287 -8.561 1.00 0.00 C ATOM 0 H THR A 29 -3.162 7.224 -6.300 1.00 0.00 H new ATOM 0 HA THR A 29 -1.435 9.206 -5.248 1.00 0.00 H new ATOM 0 HB THR A 29 -0.816 7.426 -6.885 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.627 8.876 -8.069 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.129 7.877 -9.297 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.677 7.621 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.163 9.268 -8.891 1.00 0.00 H new ATOM 457 N GLU A 30 -3.882 10.189 -7.210 1.00 0.00 N ATOM 458 CA GLU A 30 -4.677 11.363 -7.578 1.00 0.00 C ATOM 459 C GLU A 30 -5.027 12.156 -6.319 1.00 0.00 C ATOM 460 O GLU A 30 -4.864 13.377 -6.261 1.00 0.00 O ATOM 461 CB GLU A 30 -5.958 10.916 -8.310 1.00 0.00 C ATOM 462 CG GLU A 30 -6.990 12.023 -8.546 1.00 0.00 C ATOM 463 CD GLU A 30 -6.462 13.186 -9.375 1.00 0.00 C ATOM 464 OE1 GLU A 30 -5.919 12.944 -10.475 1.00 0.00 O ATOM 465 OE2 GLU A 30 -6.615 14.347 -8.945 1.00 0.00 O ATOM 0 H GLU A 30 -4.311 9.297 -7.457 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.100 12.002 -8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.678 10.490 -9.273 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.428 10.119 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.859 11.596 -9.047 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.331 12.401 -7.582 1.00 0.00 H new ATOM 472 N PHE A 31 -5.468 11.429 -5.302 1.00 0.00 N ATOM 473 CA PHE A 31 -5.879 12.011 -4.027 1.00 0.00 C ATOM 474 C PHE A 31 -4.684 12.647 -3.302 1.00 0.00 C ATOM 475 O PHE A 31 -4.846 13.572 -2.503 1.00 0.00 O ATOM 476 CB PHE A 31 -6.509 10.904 -3.165 1.00 0.00 C ATOM 477 CG PHE A 31 -7.187 11.385 -1.909 1.00 0.00 C ATOM 478 CD1 PHE A 31 -8.516 11.791 -1.938 1.00 0.00 C ATOM 479 CD2 PHE A 31 -6.509 11.416 -0.697 1.00 0.00 C ATOM 480 CE1 PHE A 31 -9.149 12.217 -0.789 1.00 0.00 C ATOM 481 CE2 PHE A 31 -7.140 11.843 0.454 1.00 0.00 C ATOM 482 CZ PHE A 31 -8.461 12.243 0.408 1.00 0.00 C ATOM 0 H PHE A 31 -5.552 10.413 -5.336 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.608 12.801 -4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.238 10.364 -3.769 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.732 10.191 -2.890 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.059 11.773 -2.871 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.476 11.102 -0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -10.182 12.530 -0.825 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.601 11.864 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.956 12.576 1.308 1.00 0.00 H new ATOM 492 N LEU A 32 -3.489 12.150 -3.611 1.00 0.00 N ATOM 493 CA LEU A 32 -2.255 12.552 -2.927 1.00 0.00 C ATOM 494 C LEU A 32 -1.380 13.435 -3.838 1.00 0.00 C ATOM 495 O LEU A 32 -0.237 13.773 -3.502 1.00 0.00 O ATOM 496 CB LEU A 32 -1.511 11.270 -2.508 1.00 0.00 C ATOM 497 CG LEU A 32 -0.214 11.445 -1.701 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.467 12.190 -0.395 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.427 10.086 -1.428 1.00 0.00 C ATOM 0 H LEU A 32 -3.345 11.455 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.490 13.150 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.195 10.659 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.275 10.706 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 32 0.474 12.046 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.471 12.296 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.874 13.177 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.178 11.630 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.344 10.225 -0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.265 9.465 -0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.660 9.597 -2.374 1.00 0.00 H new ATOM 511 N LYS A 33 -1.923 13.811 -4.993 1.00 0.00 N ATOM 512 CA LYS A 33 -1.199 14.651 -5.953 1.00 0.00 C ATOM 513 C LYS A 33 -1.604 16.119 -5.782 1.00 0.00 C ATOM 514 O LYS A 33 -0.885 17.025 -6.209 1.00 0.00 O ATOM 515 CB LYS A 33 -1.483 14.155 -7.389 1.00 0.00 C ATOM 516 CG LYS A 33 -0.558 14.723 -8.472 1.00 0.00 C ATOM 517 CD LYS A 33 -1.040 16.068 -9.016 1.00 0.00 C ATOM 518 CE LYS A 33 -0.069 16.642 -10.040 1.00 0.00 C ATOM 519 NZ LYS A 33 -0.470 18.003 -10.480 1.00 0.00 N ATOM 0 H LYS A 33 -2.863 13.549 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.127 14.578 -5.767 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.406 13.068 -7.402 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.512 14.405 -7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.445 14.840 -8.062 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.485 14.009 -9.293 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.021 15.945 -9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.159 16.772 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.932 16.679 -9.610 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.020 15.980 -10.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.216 18.359 -11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.415 17.964 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.492 18.641 -9.659 1.00 0.00 H new ATOM 533 N LYS A 34 -2.735 16.335 -5.114 1.00 0.00 N ATOM 534 CA LYS A 34 -3.337 17.665 -4.969 1.00 0.00 C ATOM 535 C LYS A 34 -2.320 18.699 -4.479 1.00 0.00 C ATOM 536 O LYS A 34 -1.990 19.653 -5.188 1.00 0.00 O ATOM 537 CB LYS A 34 -4.515 17.600 -3.986 1.00 0.00 C ATOM 538 CG LYS A 34 -5.527 16.503 -4.300 1.00 0.00 C ATOM 539 CD LYS A 34 -6.204 16.708 -5.651 1.00 0.00 C ATOM 540 CE LYS A 34 -7.186 15.580 -5.957 1.00 0.00 C ATOM 541 NZ LYS A 34 -8.224 15.443 -4.898 1.00 0.00 N ATOM 0 H LYS A 34 -3.264 15.593 -4.656 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.688 17.977 -5.953 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.127 17.444 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.027 18.562 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.025 15.536 -4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.285 16.476 -3.517 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.731 17.662 -5.655 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.448 16.758 -6.435 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.669 15.769 -6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.641 14.641 -6.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.148 15.263 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.979 14.649 -4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.271 16.321 -4.342 1.00 0.00 H new ATOM 555 N GLU A 35 -1.841 18.503 -3.256 1.00 0.00 N ATOM 556 CA GLU A 35 -0.846 19.393 -2.651 1.00 0.00 C ATOM 557 C GLU A 35 0.568 18.914 -2.981 1.00 0.00 C ATOM 558 O GLU A 35 1.557 19.529 -2.572 1.00 0.00 O ATOM 559 CB GLU A 35 -1.042 19.472 -1.123 1.00 0.00 C ATOM 560 CG GLU A 35 -0.719 18.181 -0.364 1.00 0.00 C ATOM 561 CD GLU A 35 -1.506 16.981 -0.859 1.00 0.00 C ATOM 562 OE1 GLU A 35 -2.747 16.982 -0.715 1.00 0.00 O ATOM 563 OE2 GLU A 35 -0.886 16.051 -1.415 1.00 0.00 O ATOM 0 H GLU A 35 -2.126 17.729 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.983 20.391 -3.067 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.415 20.273 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.076 19.748 -0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.347 17.971 -0.455 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.925 18.330 0.696 1.00 0.00 H new ATOM 570 N PHE A 36 0.635 17.800 -3.710 1.00 0.00 N ATOM 571 CA PHE A 36 1.890 17.201 -4.152 1.00 0.00 C ATOM 572 C PHE A 36 2.620 16.576 -2.971 1.00 0.00 C ATOM 573 O PHE A 36 3.497 17.188 -2.360 1.00 0.00 O ATOM 574 CB PHE A 36 2.794 18.210 -4.884 1.00 0.00 C ATOM 575 CG PHE A 36 4.066 17.593 -5.420 1.00 0.00 C ATOM 576 CD1 PHE A 36 4.054 16.873 -6.605 1.00 0.00 C ATOM 577 CD2 PHE A 36 5.267 17.725 -4.734 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.211 16.297 -7.092 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.426 17.152 -5.220 1.00 0.00 C ATOM 580 CZ PHE A 36 6.398 16.437 -6.399 1.00 0.00 C ATOM 0 H PHE A 36 -0.191 17.284 -4.013 1.00 0.00 H new ATOM 0 HA PHE A 36 1.644 16.420 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.238 18.654 -5.710 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.051 19.020 -4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.130 16.761 -7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.295 18.282 -3.809 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.188 15.737 -8.015 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.353 17.264 -4.677 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.303 15.987 -6.780 1.00 0.00 H new ATOM 590 N SER A 37 2.212 15.368 -2.623 1.00 0.00 N ATOM 591 CA SER A 37 2.876 14.608 -1.578 1.00 0.00 C ATOM 592 C SER A 37 3.065 13.159 -2.028 1.00 0.00 C ATOM 593 O SER A 37 3.582 12.327 -1.287 1.00 0.00 O ATOM 594 CB SER A 37 2.049 14.676 -0.291 1.00 0.00 C ATOM 595 OG SER A 37 1.690 16.016 0.012 1.00 0.00 O ATOM 0 H SER A 37 1.419 14.890 -3.052 1.00 0.00 H new ATOM 0 HA SER A 37 3.859 15.036 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.149 14.070 -0.400 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.620 14.253 0.535 1.00 0.00 H new ATOM 0 HG SER A 37 1.161 16.034 0.837 1.00 0.00 H new ATOM 601 N ALA A 38 2.687 12.886 -3.278 1.00 0.00 N ATOM 602 CA ALA A 38 2.671 11.526 -3.824 1.00 0.00 C ATOM 603 C ALA A 38 4.067 10.910 -3.924 1.00 0.00 C ATOM 604 O ALA A 38 4.209 9.743 -4.280 1.00 0.00 O ATOM 605 CB ALA A 38 1.993 11.523 -5.192 1.00 0.00 C ATOM 0 H ALA A 38 2.384 13.600 -3.940 1.00 0.00 H new ATOM 0 HA ALA A 38 2.104 10.908 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.985 10.509 -5.592 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.969 11.882 -5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.541 12.176 -5.871 1.00 0.00 H new ATOM 611 N GLU A 39 5.096 11.676 -3.589 1.00 0.00 N ATOM 612 CA GLU A 39 6.467 11.187 -3.720 1.00 0.00 C ATOM 613 C GLU A 39 6.793 10.178 -2.616 1.00 0.00 C ATOM 614 O GLU A 39 7.739 9.397 -2.741 1.00 0.00 O ATOM 615 CB GLU A 39 7.478 12.353 -3.719 1.00 0.00 C ATOM 616 CG GLU A 39 8.439 12.326 -4.908 1.00 0.00 C ATOM 617 CD GLU A 39 7.721 12.316 -6.253 1.00 0.00 C ATOM 618 OE1 GLU A 39 7.394 11.219 -6.753 1.00 0.00 O ATOM 619 OE2 GLU A 39 7.471 13.403 -6.815 1.00 0.00 O ATOM 0 H GLU A 39 5.013 12.627 -3.229 1.00 0.00 H new ATOM 0 HA GLU A 39 6.550 10.677 -4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.933 13.297 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.055 12.323 -2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.094 13.196 -4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.074 11.443 -4.835 1.00 0.00 H new ATOM 626 N ASN A 40 5.993 10.175 -1.543 1.00 0.00 N ATOM 627 CA ASN A 40 6.205 9.226 -0.448 1.00 0.00 C ATOM 628 C ASN A 40 5.831 7.814 -0.898 1.00 0.00 C ATOM 629 O ASN A 40 6.515 6.845 -0.558 1.00 0.00 O ATOM 630 CB ASN A 40 5.424 9.616 0.827 1.00 0.00 C ATOM 631 CG ASN A 40 3.921 9.384 0.730 1.00 0.00 C ATOM 632 OD1 ASN A 40 3.431 8.290 0.989 1.00 0.00 O ATOM 633 ND2 ASN A 40 3.176 10.421 0.395 1.00 0.00 N ATOM 0 H ASN A 40 5.205 10.809 -1.412 1.00 0.00 H new ATOM 0 HA ASN A 40 7.264 9.254 -0.191 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.816 9.045 1.669 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.605 10.669 1.044 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.162 10.326 0.346 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.615 11.318 0.185 1.00 0.00 H new ATOM 640 N VAL A 41 4.761 7.700 -1.687 1.00 0.00 N ATOM 641 CA VAL A 41 4.343 6.404 -2.208 1.00 0.00 C ATOM 642 C VAL A 41 5.250 5.982 -3.360 1.00 0.00 C ATOM 643 O VAL A 41 5.405 4.796 -3.625 1.00 0.00 O ATOM 644 CB VAL A 41 2.858 6.382 -2.661 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.935 6.740 -1.497 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.618 7.309 -3.850 1.00 0.00 C ATOM 0 H VAL A 41 4.175 8.484 -1.975 1.00 0.00 H new ATOM 0 HA VAL A 41 4.433 5.692 -1.387 1.00 0.00 H new ATOM 0 HB VAL A 41 2.627 5.368 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.899 6.719 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.069 6.018 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.178 7.738 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.568 7.267 -4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.877 8.331 -3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.238 6.992 -4.689 1.00 0.00 H new ATOM 656 N THR A 42 5.854 6.960 -4.035 1.00 0.00 N ATOM 657 CA THR A 42 6.866 6.678 -5.051 1.00 0.00 C ATOM 658 C THR A 42 8.077 6.012 -4.397 1.00 0.00 C ATOM 659 O THR A 42 8.591 5.005 -4.889 1.00 0.00 O ATOM 660 CB THR A 42 7.310 7.963 -5.784 1.00 0.00 C ATOM 661 OG1 THR A 42 6.165 8.618 -6.348 1.00 0.00 O ATOM 662 CG2 THR A 42 8.317 7.652 -6.890 1.00 0.00 C ATOM 0 H THR A 42 5.660 7.952 -3.897 1.00 0.00 H new ATOM 0 HA THR A 42 6.426 6.007 -5.789 1.00 0.00 H new ATOM 0 HB THR A 42 7.792 8.617 -5.058 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.396 9.543 -6.573 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.609 8.577 -7.386 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.198 7.178 -6.457 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.863 6.978 -7.617 1.00 0.00 H new ATOM 670 N PHE A 43 8.514 6.579 -3.274 1.00 0.00 N ATOM 671 CA PHE A 43 9.566 5.976 -2.460 1.00 0.00 C ATOM 672 C PHE A 43 9.171 4.555 -2.066 1.00 0.00 C ATOM 673 O PHE A 43 9.988 3.629 -2.112 1.00 0.00 O ATOM 674 CB PHE A 43 9.811 6.829 -1.206 1.00 0.00 C ATOM 675 CG PHE A 43 10.724 6.191 -0.185 1.00 0.00 C ATOM 676 CD1 PHE A 43 12.090 6.112 -0.406 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.212 5.680 1.003 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.926 5.538 0.533 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.046 5.104 1.942 1.00 0.00 C ATOM 680 CZ PHE A 43 12.404 5.033 1.708 1.00 0.00 C ATOM 0 H PHE A 43 8.153 7.459 -2.906 1.00 0.00 H new ATOM 0 HA PHE A 43 10.487 5.934 -3.041 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.238 7.785 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.852 7.043 -0.734 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.506 6.504 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.150 5.734 1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.989 5.484 0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.635 4.709 2.859 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.057 4.584 2.442 1.00 0.00 H new ATOM 690 N TRP A 44 7.905 4.394 -1.686 1.00 0.00 N ATOM 691 CA TRP A 44 7.364 3.089 -1.319 1.00 0.00 C ATOM 692 C TRP A 44 7.440 2.133 -2.514 1.00 0.00 C ATOM 693 O TRP A 44 7.846 0.981 -2.368 1.00 0.00 O ATOM 694 CB TRP A 44 5.913 3.233 -0.829 1.00 0.00 C ATOM 695 CG TRP A 44 5.374 1.999 -0.163 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.505 1.658 1.154 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.619 0.945 -0.775 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.889 0.456 1.395 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.335 -0.002 0.227 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.158 0.709 -2.074 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.611 -1.165 -0.028 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.437 -0.444 -2.326 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.171 -1.368 -1.307 1.00 0.00 C ATOM 0 H TRP A 44 7.231 5.158 -1.624 1.00 0.00 H new ATOM 0 HA TRP A 44 7.960 2.674 -0.506 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.857 4.067 -0.129 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.276 3.485 -1.677 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.019 2.249 1.897 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.849 -0.020 2.296 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.361 1.414 -2.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.405 -1.880 0.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.073 -0.635 -3.325 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.606 -2.260 -1.536 1.00 0.00 H new ATOM 714 N LYS A 45 7.065 2.631 -3.697 1.00 0.00 N ATOM 715 CA LYS A 45 7.133 1.849 -4.935 1.00 0.00 C ATOM 716 C LYS A 45 8.558 1.366 -5.178 1.00 0.00 C ATOM 717 O LYS A 45 8.789 0.190 -5.449 1.00 0.00 O ATOM 718 CB LYS A 45 6.681 2.685 -6.147 1.00 0.00 C ATOM 719 CG LYS A 45 5.212 3.103 -6.135 1.00 0.00 C ATOM 720 CD LYS A 45 4.881 3.992 -7.337 1.00 0.00 C ATOM 721 CE LYS A 45 3.430 4.460 -7.333 1.00 0.00 C ATOM 722 NZ LYS A 45 3.117 5.314 -8.512 1.00 0.00 N ATOM 0 H LYS A 45 6.709 3.579 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 45 6.464 0.996 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.297 3.582 -6.200 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.872 2.113 -7.055 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.578 2.216 -6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.991 3.638 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.540 4.860 -7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.080 3.443 -8.257 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.769 3.593 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.231 5.018 -6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.121 5.611 -8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.729 6.155 -8.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.282 4.774 -9.385 1.00 0.00 H new ATOM 736 N ALA A 46 9.505 2.294 -5.077 1.00 0.00 N ATOM 737 CA ALA A 46 10.912 2.005 -5.330 1.00 0.00 C ATOM 738 C ALA A 46 11.420 0.907 -4.399 1.00 0.00 C ATOM 739 O ALA A 46 12.028 -0.065 -4.846 1.00 0.00 O ATOM 740 CB ALA A 46 11.743 3.274 -5.172 1.00 0.00 C ATOM 0 H ALA A 46 9.320 3.263 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 46 11.013 1.646 -6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.792 3.048 -5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.399 4.025 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.633 3.657 -4.157 1.00 0.00 H new ATOM 746 N CYS A 47 11.149 1.058 -3.106 1.00 0.00 N ATOM 747 CA CYS A 47 11.576 0.077 -2.112 1.00 0.00 C ATOM 748 C CYS A 47 10.849 -1.254 -2.314 1.00 0.00 C ATOM 749 O CYS A 47 11.419 -2.325 -2.094 1.00 0.00 O ATOM 750 CB CYS A 47 11.330 0.604 -0.696 1.00 0.00 C ATOM 751 SG CYS A 47 11.827 -0.543 0.609 1.00 0.00 S ATOM 0 H CYS A 47 10.635 1.851 -2.721 1.00 0.00 H new ATOM 0 HA CYS A 47 12.645 -0.091 -2.241 1.00 0.00 H new ATOM 0 HB2 CYS A 47 11.872 1.541 -0.568 1.00 0.00 H new ATOM 0 HB3 CYS A 47 10.270 0.831 -0.582 1.00 0.00 H new ATOM 0 HG CYS A 47 11.926 -1.743 0.118 1.00 0.00 H new ATOM 757 N GLU A 48 9.593 -1.173 -2.740 1.00 0.00 N ATOM 758 CA GLU A 48 8.784 -2.359 -3.004 1.00 0.00 C ATOM 759 C GLU A 48 9.362 -3.110 -4.208 1.00 0.00 C ATOM 760 O GLU A 48 9.449 -4.335 -4.209 1.00 0.00 O ATOM 761 CB GLU A 48 7.320 -1.934 -3.234 1.00 0.00 C ATOM 762 CG GLU A 48 6.298 -3.071 -3.239 1.00 0.00 C ATOM 763 CD GLU A 48 6.281 -3.866 -4.536 1.00 0.00 C ATOM 764 OE1 GLU A 48 6.049 -3.256 -5.605 1.00 0.00 O ATOM 765 OE2 GLU A 48 6.490 -5.095 -4.489 1.00 0.00 O ATOM 0 H GLU A 48 9.110 -0.291 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 48 8.805 -3.036 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.041 -1.221 -2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.258 -1.409 -4.187 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.514 -3.746 -2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.305 -2.657 -3.063 1.00 0.00 H new ATOM 772 N ARG A 49 9.801 -2.353 -5.208 1.00 0.00 N ATOM 773 CA ARG A 49 10.441 -2.922 -6.393 1.00 0.00 C ATOM 774 C ARG A 49 11.805 -3.493 -6.016 1.00 0.00 C ATOM 775 O ARG A 49 12.250 -4.509 -6.558 1.00 0.00 O ATOM 776 CB ARG A 49 10.618 -1.837 -7.462 1.00 0.00 C ATOM 777 CG ARG A 49 11.105 -2.356 -8.814 1.00 0.00 C ATOM 778 CD ARG A 49 11.546 -1.215 -9.721 1.00 0.00 C ATOM 779 NE ARG A 49 10.597 -0.101 -9.705 1.00 0.00 N ATOM 780 CZ ARG A 49 10.926 1.158 -9.408 1.00 0.00 C ATOM 781 NH1 ARG A 49 12.184 1.470 -9.106 1.00 0.00 N ATOM 782 NH2 ARG A 49 9.989 2.096 -9.394 1.00 0.00 N ATOM 0 H ARG A 49 9.725 -1.336 -5.223 1.00 0.00 H new ATOM 0 HA ARG A 49 9.811 -3.718 -6.790 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.666 -1.326 -7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.327 -1.095 -7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.936 -3.045 -8.663 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.307 -2.920 -9.298 1.00 0.00 H new ATOM 0 HD2 ARG A 49 12.527 -0.860 -9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.654 -1.584 -10.741 1.00 0.00 H new ATOM 0 HE ARG A 49 9.623 -0.299 -9.935 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.902 0.745 -9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.430 2.434 -8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.022 1.854 -9.610 1.00 0.00 H new ATOM 0 HH22 ARG A 49 10.235 3.060 -9.168 1.00 0.00 H new ATOM 796 N PHE A 50 12.450 -2.815 -5.075 1.00 0.00 N ATOM 797 CA PHE A 50 13.775 -3.177 -4.595 1.00 0.00 C ATOM 798 C PHE A 50 13.751 -4.536 -3.893 1.00 0.00 C ATOM 799 O PHE A 50 14.650 -5.357 -4.074 1.00 0.00 O ATOM 800 CB PHE A 50 14.275 -2.078 -3.648 1.00 0.00 C ATOM 801 CG PHE A 50 15.646 -2.308 -3.074 1.00 0.00 C ATOM 802 CD1 PHE A 50 16.773 -2.220 -3.875 1.00 0.00 C ATOM 803 CD2 PHE A 50 15.808 -2.599 -1.727 1.00 0.00 C ATOM 804 CE1 PHE A 50 18.032 -2.419 -3.347 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.065 -2.796 -1.196 1.00 0.00 C ATOM 806 CZ PHE A 50 18.178 -2.707 -2.007 1.00 0.00 C ATOM 0 H PHE A 50 12.062 -1.989 -4.619 1.00 0.00 H new ATOM 0 HA PHE A 50 14.456 -3.264 -5.441 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.277 -1.130 -4.185 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.566 -1.977 -2.826 1.00 0.00 H new ATOM 0 HD1 PHE A 50 16.665 -1.993 -4.925 1.00 0.00 H new ATOM 0 HD2 PHE A 50 14.940 -2.672 -1.088 1.00 0.00 H new ATOM 0 HE1 PHE A 50 18.902 -2.349 -3.983 1.00 0.00 H new ATOM 0 HE2 PHE A 50 17.179 -3.020 -0.146 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.163 -2.863 -1.592 1.00 0.00 H new ATOM 816 N GLN A 51 12.704 -4.778 -3.104 1.00 0.00 N ATOM 817 CA GLN A 51 12.570 -6.040 -2.373 1.00 0.00 C ATOM 818 C GLN A 51 12.094 -7.162 -3.298 1.00 0.00 C ATOM 819 O GLN A 51 12.119 -8.337 -2.923 1.00 0.00 O ATOM 820 CB GLN A 51 11.622 -5.883 -1.174 1.00 0.00 C ATOM 821 CG GLN A 51 10.208 -5.455 -1.542 1.00 0.00 C ATOM 822 CD GLN A 51 9.313 -5.277 -0.328 1.00 0.00 C ATOM 823 OE1 GLN A 51 9.231 -4.190 0.248 1.00 0.00 O ATOM 824 NE2 GLN A 51 8.625 -6.339 0.061 1.00 0.00 N ATOM 0 H GLN A 51 11.939 -4.120 -2.954 1.00 0.00 H new ATOM 0 HA GLN A 51 13.555 -6.311 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.574 -6.831 -0.638 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.043 -5.149 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.250 -4.518 -2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.769 -6.200 -2.206 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.721 -7.221 -0.442 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.999 -6.275 0.864 1.00 0.00 H new ATOM 833 N GLN A 52 11.662 -6.796 -4.507 1.00 0.00 N ATOM 834 CA GLN A 52 11.273 -7.781 -5.520 1.00 0.00 C ATOM 835 C GLN A 52 12.508 -8.396 -6.177 1.00 0.00 C ATOM 836 O GLN A 52 12.411 -9.397 -6.891 1.00 0.00 O ATOM 837 CB GLN A 52 10.374 -7.145 -6.595 1.00 0.00 C ATOM 838 CG GLN A 52 8.973 -6.789 -6.108 1.00 0.00 C ATOM 839 CD GLN A 52 8.107 -6.180 -7.201 1.00 0.00 C ATOM 840 OE1 GLN A 52 8.086 -4.964 -7.393 1.00 0.00 O ATOM 841 NE2 GLN A 52 7.394 -7.021 -7.935 1.00 0.00 N ATOM 0 H GLN A 52 11.573 -5.826 -4.809 1.00 0.00 H new ATOM 0 HA GLN A 52 10.710 -8.567 -5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.857 -6.242 -6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.290 -7.833 -7.436 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.488 -7.686 -5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.049 -6.087 -5.277 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.436 -8.023 -7.748 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.803 -6.667 -8.687 1.00 0.00 H new ATOM 850 N ILE A 53 13.666 -7.788 -5.949 1.00 0.00 N ATOM 851 CA ILE A 53 14.921 -8.304 -6.485 1.00 0.00 C ATOM 852 C ILE A 53 15.358 -9.536 -5.681 1.00 0.00 C ATOM 853 O ILE A 53 15.516 -9.458 -4.462 1.00 0.00 O ATOM 854 CB ILE A 53 16.037 -7.227 -6.454 1.00 0.00 C ATOM 855 CG1 ILE A 53 15.583 -5.966 -7.215 1.00 0.00 C ATOM 856 CG2 ILE A 53 17.340 -7.780 -7.042 1.00 0.00 C ATOM 857 CD1 ILE A 53 16.575 -4.821 -7.158 1.00 0.00 C ATOM 0 H ILE A 53 13.763 -6.936 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 53 14.757 -8.584 -7.526 1.00 0.00 H new ATOM 0 HB ILE A 53 16.227 -6.953 -5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.405 -6.228 -8.258 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.631 -5.629 -6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.109 -7.009 -7.011 1.00 0.00 H new ATOM 0 HG22 ILE A 53 17.666 -8.641 -6.459 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.173 -8.084 -8.075 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.183 -3.971 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.735 -4.530 -6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 53 17.522 -5.137 -7.596 1.00 0.00 H new ATOM 869 N PRO A 54 15.572 -10.684 -6.356 1.00 0.00 N ATOM 870 CA PRO A 54 15.842 -11.973 -5.686 1.00 0.00 C ATOM 871 C PRO A 54 17.250 -12.084 -5.080 1.00 0.00 C ATOM 872 O PRO A 54 17.781 -13.190 -4.948 1.00 0.00 O ATOM 873 CB PRO A 54 15.663 -12.990 -6.822 1.00 0.00 C ATOM 874 CG PRO A 54 16.035 -12.236 -8.053 1.00 0.00 C ATOM 875 CD PRO A 54 15.557 -10.825 -7.829 1.00 0.00 C ATOM 0 HA PRO A 54 15.182 -12.120 -4.831 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.303 -13.861 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.637 -13.353 -6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.112 -12.263 -8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.567 -12.672 -8.935 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.213 -10.098 -8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.558 -10.670 -8.237 1.00 0.00 H new ATOM 883 N ALA A 55 17.847 -10.942 -4.723 1.00 0.00 N ATOM 884 CA ALA A 55 19.152 -10.890 -4.039 1.00 0.00 C ATOM 885 C ALA A 55 20.328 -11.243 -4.962 1.00 0.00 C ATOM 886 O ALA A 55 21.415 -10.675 -4.828 1.00 0.00 O ATOM 887 CB ALA A 55 19.159 -11.782 -2.798 1.00 0.00 C ATOM 0 H ALA A 55 17.441 -10.023 -4.899 1.00 0.00 H new ATOM 0 HA ALA A 55 19.292 -9.854 -3.730 1.00 0.00 H new ATOM 0 HB1 ALA A 55 20.134 -11.724 -2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.388 -11.446 -2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.960 -12.813 -3.090 1.00 0.00 H new ATOM 893 N SER A 56 20.109 -12.176 -5.890 1.00 0.00 N ATOM 894 CA SER A 56 21.146 -12.623 -6.815 1.00 0.00 C ATOM 895 C SER A 56 21.753 -11.442 -7.568 1.00 0.00 C ATOM 896 O SER A 56 22.974 -11.322 -7.687 1.00 0.00 O ATOM 897 CB SER A 56 20.550 -13.640 -7.797 1.00 0.00 C ATOM 898 OG SER A 56 19.343 -13.150 -8.367 1.00 0.00 O ATOM 0 H SER A 56 19.210 -12.640 -6.020 1.00 0.00 H new ATOM 0 HA SER A 56 21.945 -13.098 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A 56 21.270 -13.853 -8.587 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.357 -14.580 -7.280 1.00 0.00 H new ATOM 0 HG SER A 56 19.553 -12.481 -9.052 1.00 0.00 H new ATOM 904 N ASP A 57 20.887 -10.568 -8.065 1.00 0.00 N ATOM 905 CA ASP A 57 21.318 -9.380 -8.791 1.00 0.00 C ATOM 906 C ASP A 57 21.786 -8.308 -7.812 1.00 0.00 C ATOM 907 O ASP A 57 21.127 -7.279 -7.635 1.00 0.00 O ATOM 908 CB ASP A 57 20.178 -8.842 -9.671 1.00 0.00 C ATOM 909 CG ASP A 57 19.727 -9.836 -10.730 1.00 0.00 C ATOM 910 OD1 ASP A 57 19.048 -10.826 -10.373 1.00 0.00 O ATOM 911 OD2 ASP A 57 20.031 -9.625 -11.924 1.00 0.00 O ATOM 0 H ASP A 57 19.875 -10.661 -7.978 1.00 0.00 H new ATOM 0 HA ASP A 57 22.152 -9.651 -9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 57 19.329 -8.583 -9.038 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.505 -7.923 -10.158 1.00 0.00 H new ATOM 916 N THR A 58 22.918 -8.565 -7.165 1.00 0.00 N ATOM 917 CA THR A 58 23.479 -7.647 -6.182 1.00 0.00 C ATOM 918 C THR A 58 23.808 -6.302 -6.830 1.00 0.00 C ATOM 919 O THR A 58 23.621 -5.243 -6.229 1.00 0.00 O ATOM 920 CB THR A 58 24.744 -8.254 -5.536 1.00 0.00 C ATOM 921 OG1 THR A 58 24.447 -9.579 -5.069 1.00 0.00 O ATOM 922 CG2 THR A 58 25.245 -7.404 -4.370 1.00 0.00 C ATOM 0 H THR A 58 23.470 -9.411 -7.307 1.00 0.00 H new ATOM 0 HA THR A 58 22.735 -7.483 -5.402 1.00 0.00 H new ATOM 0 HB THR A 58 25.530 -8.284 -6.291 1.00 0.00 H new ATOM 0 HG1 THR A 58 23.476 -9.689 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 58 26.136 -7.863 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 58 25.489 -6.403 -4.727 1.00 0.00 H new ATOM 0 HG23 THR A 58 24.469 -7.338 -3.608 1.00 0.00 H new ATOM 930 N GLN A 59 24.273 -6.361 -8.076 1.00 0.00 N ATOM 931 CA GLN A 59 24.550 -5.161 -8.861 1.00 0.00 C ATOM 932 C GLN A 59 23.274 -4.336 -9.051 1.00 0.00 C ATOM 933 O GLN A 59 23.288 -3.112 -8.924 1.00 0.00 O ATOM 934 CB GLN A 59 25.155 -5.543 -10.222 1.00 0.00 C ATOM 935 CG GLN A 59 24.332 -6.569 -10.997 1.00 0.00 C ATOM 936 CD GLN A 59 24.936 -6.939 -12.343 1.00 0.00 C ATOM 937 OE1 GLN A 59 26.256 -6.891 -12.447 1.00 0.00 O flip ATOM 938 NE2 GLN A 59 24.216 -7.276 -13.283 1.00 0.00 N flip ATOM 0 H GLN A 59 24.467 -7.234 -8.566 1.00 0.00 H new ATOM 0 HA GLN A 59 25.273 -4.551 -8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 59 25.260 -4.643 -10.828 1.00 0.00 H new ATOM 0 HB3 GLN A 59 26.158 -5.940 -10.065 1.00 0.00 H new ATOM 0 HG2 GLN A 59 24.229 -7.471 -10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 59 23.328 -6.174 -11.154 1.00 0.00 H new ATOM 0 HE21 GLN A 59 23.203 -7.301 -13.166 1.00 0.00 H new ATOM 0 HE22 GLN A 59 24.632 -7.530 -14.179 1.00 0.00 H new ATOM 947 N GLN A 60 22.165 -5.023 -9.332 1.00 0.00 N ATOM 948 CA GLN A 60 20.878 -4.360 -9.526 1.00 0.00 C ATOM 949 C GLN A 60 20.392 -3.768 -8.206 1.00 0.00 C ATOM 950 O GLN A 60 19.793 -2.691 -8.181 1.00 0.00 O ATOM 951 CB GLN A 60 19.843 -5.343 -10.090 1.00 0.00 C ATOM 952 CG GLN A 60 18.475 -4.726 -10.370 1.00 0.00 C ATOM 953 CD GLN A 60 18.537 -3.564 -11.348 1.00 0.00 C ATOM 954 OE1 GLN A 60 18.451 -3.751 -12.561 1.00 0.00 O ATOM 955 NE2 GLN A 60 18.674 -2.353 -10.828 1.00 0.00 N ATOM 0 H GLN A 60 22.134 -6.038 -9.430 1.00 0.00 H new ATOM 0 HA GLN A 60 21.006 -3.552 -10.247 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.232 -5.770 -11.014 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.720 -6.166 -9.386 1.00 0.00 H new ATOM 0 HG2 GLN A 60 17.811 -5.493 -10.768 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.039 -4.382 -9.432 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.742 -2.237 -9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.711 -1.537 -11.439 1.00 0.00 H new ATOM 964 N LEU A 61 20.660 -4.484 -7.114 1.00 0.00 N ATOM 965 CA LEU A 61 20.369 -3.986 -5.772 1.00 0.00 C ATOM 966 C LEU A 61 21.102 -2.671 -5.533 1.00 0.00 C ATOM 967 O LEU A 61 20.500 -1.679 -5.132 1.00 0.00 O ATOM 968 CB LEU A 61 20.785 -5.015 -4.707 1.00 0.00 C ATOM 969 CG LEU A 61 19.926 -6.287 -4.630 1.00 0.00 C ATOM 970 CD1 LEU A 61 20.568 -7.312 -3.697 1.00 0.00 C ATOM 971 CD2 LEU A 61 18.511 -5.950 -4.162 1.00 0.00 C ATOM 0 H LEU A 61 21.079 -5.414 -7.134 1.00 0.00 H new ATOM 0 HA LEU A 61 19.295 -3.820 -5.693 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.817 -5.308 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.766 -4.528 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 61 19.865 -6.721 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 61 19.946 -8.206 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 61 21.557 -7.576 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.660 -6.887 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.917 -6.863 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.554 -5.492 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.051 -5.255 -4.864 1.00 0.00 H new ATOM 983 N ALA A 62 22.407 -2.677 -5.798 1.00 0.00 N ATOM 984 CA ALA A 62 23.245 -1.495 -5.609 1.00 0.00 C ATOM 985 C ALA A 62 22.727 -0.318 -6.433 1.00 0.00 C ATOM 986 O ALA A 62 22.632 0.806 -5.939 1.00 0.00 O ATOM 987 CB ALA A 62 24.691 -1.811 -5.977 1.00 0.00 C ATOM 0 H ALA A 62 22.909 -3.493 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 62 23.204 -1.211 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.306 -0.923 -5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.061 -2.616 -5.341 1.00 0.00 H new ATOM 0 HB3 ALA A 62 24.741 -2.121 -7.021 1.00 0.00 H new ATOM 993 N GLN A 63 22.378 -0.593 -7.687 1.00 0.00 N ATOM 994 CA GLN A 63 21.872 0.438 -8.589 1.00 0.00 C ATOM 995 C GLN A 63 20.554 1.017 -8.077 1.00 0.00 C ATOM 996 O GLN A 63 20.424 2.232 -7.918 1.00 0.00 O ATOM 997 CB GLN A 63 21.692 -0.125 -10.007 1.00 0.00 C ATOM 998 CG GLN A 63 23.003 -0.500 -10.691 1.00 0.00 C ATOM 999 CD GLN A 63 23.947 0.682 -10.834 1.00 0.00 C ATOM 1000 OE1 GLN A 63 23.897 1.414 -11.820 1.00 0.00 O ATOM 1001 NE2 GLN A 63 24.815 0.873 -9.853 1.00 0.00 N ATOM 0 H GLN A 63 22.436 -1.523 -8.102 1.00 0.00 H new ATOM 0 HA GLN A 63 22.607 1.243 -8.623 1.00 0.00 H new ATOM 0 HB2 GLN A 63 21.053 -1.006 -9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 63 21.172 0.613 -10.618 1.00 0.00 H new ATOM 0 HG2 GLN A 63 23.495 -1.286 -10.118 1.00 0.00 H new ATOM 0 HG3 GLN A 63 22.789 -0.911 -11.678 1.00 0.00 H new ATOM 0 HE21 GLN A 63 24.825 0.243 -9.051 1.00 0.00 H new ATOM 0 HE22 GLN A 63 25.474 1.650 -9.899 1.00 0.00 H new ATOM 1010 N GLU A 64 19.585 0.145 -7.803 1.00 0.00 N ATOM 1011 CA GLU A 64 18.267 0.582 -7.341 1.00 0.00 C ATOM 1012 C GLU A 64 18.400 1.354 -6.030 1.00 0.00 C ATOM 1013 O GLU A 64 17.830 2.436 -5.871 1.00 0.00 O ATOM 1014 CB GLU A 64 17.328 -0.621 -7.160 1.00 0.00 C ATOM 1015 CG GLU A 64 15.882 -0.238 -6.843 1.00 0.00 C ATOM 1016 CD GLU A 64 15.184 0.450 -8.008 1.00 0.00 C ATOM 1017 OE1 GLU A 64 15.386 1.667 -8.206 1.00 0.00 O ATOM 1018 OE2 GLU A 64 14.435 -0.228 -8.743 1.00 0.00 O ATOM 0 H GLU A 64 19.686 -0.866 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 64 17.837 1.240 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.343 -1.221 -8.070 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.711 -1.250 -6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.325 -1.134 -6.570 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.868 0.422 -5.976 1.00 0.00 H new ATOM 1025 N ALA A 65 19.187 0.802 -5.107 1.00 0.00 N ATOM 1026 CA ALA A 65 19.447 1.439 -3.819 1.00 0.00 C ATOM 1027 C ALA A 65 20.048 2.827 -4.018 1.00 0.00 C ATOM 1028 O ALA A 65 19.704 3.774 -3.312 1.00 0.00 O ATOM 1029 CB ALA A 65 20.379 0.573 -2.979 1.00 0.00 C ATOM 0 H ALA A 65 19.659 -0.094 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 65 18.500 1.547 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.564 1.060 -2.022 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.917 -0.399 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.324 0.438 -3.506 1.00 0.00 H new ATOM 1035 N ARG A 66 20.939 2.930 -4.997 1.00 0.00 N ATOM 1036 CA ARG A 66 21.607 4.187 -5.323 1.00 0.00 C ATOM 1037 C ARG A 66 20.594 5.218 -5.829 1.00 0.00 C ATOM 1038 O ARG A 66 20.704 6.408 -5.525 1.00 0.00 O ATOM 1039 CB ARG A 66 22.715 3.913 -6.359 1.00 0.00 C ATOM 1040 CG ARG A 66 23.522 5.135 -6.805 1.00 0.00 C ATOM 1041 CD ARG A 66 22.929 5.804 -8.042 1.00 0.00 C ATOM 1042 NE ARG A 66 23.852 6.788 -8.615 1.00 0.00 N ATOM 1043 CZ ARG A 66 24.017 6.994 -9.922 1.00 0.00 C ATOM 1044 NH1 ARG A 66 23.286 6.320 -10.805 1.00 0.00 N ATOM 1045 NH2 ARG A 66 24.917 7.871 -10.343 1.00 0.00 N ATOM 0 H ARG A 66 21.219 2.147 -5.587 1.00 0.00 H new ATOM 0 HA ARG A 66 22.067 4.607 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.403 3.178 -5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.260 3.460 -7.240 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.563 5.857 -5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 66 24.548 4.833 -7.015 1.00 0.00 H new ATOM 0 HD2 ARG A 66 22.694 5.046 -8.789 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.992 6.293 -7.778 1.00 0.00 H new ATOM 0 HE ARG A 66 24.405 7.353 -7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 66 22.595 5.642 -10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 66 23.416 6.481 -11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 66 25.482 8.387 -9.668 1.00 0.00 H new ATOM 0 HH22 ARG A 66 25.045 8.030 -11.342 1.00 0.00 H new ATOM 1059 N ASN A 67 19.603 4.752 -6.591 1.00 0.00 N ATOM 1060 CA ASN A 67 18.526 5.625 -7.068 1.00 0.00 C ATOM 1061 C ASN A 67 17.716 6.138 -5.884 1.00 0.00 C ATOM 1062 O ASN A 67 17.626 7.344 -5.654 1.00 0.00 O ATOM 1063 CB ASN A 67 17.593 4.891 -8.050 1.00 0.00 C ATOM 1064 CG ASN A 67 18.238 4.622 -9.398 1.00 0.00 C ATOM 1065 OD1 ASN A 67 18.218 5.471 -10.291 1.00 0.00 O ATOM 1066 ND2 ASN A 67 18.800 3.438 -9.566 1.00 0.00 N ATOM 0 H ASN A 67 19.523 3.780 -6.891 1.00 0.00 H new ATOM 0 HA ASN A 67 18.984 6.461 -7.597 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.282 3.945 -7.608 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.691 5.485 -8.198 1.00 0.00 H new ATOM 0 HD21 ASN A 67 19.236 3.202 -10.457 1.00 0.00 H new ATOM 0 HD22 ASN A 67 18.798 2.760 -8.804 1.00 0.00 H new ATOM 1073 N ILE A 68 17.156 5.199 -5.124 1.00 0.00 N ATOM 1074 CA ILE A 68 16.360 5.520 -3.941 1.00 0.00 C ATOM 1075 C ILE A 68 17.131 6.472 -3.026 1.00 0.00 C ATOM 1076 O ILE A 68 16.576 7.435 -2.490 1.00 0.00 O ATOM 1077 CB ILE A 68 15.995 4.234 -3.154 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.254 3.239 -4.067 1.00 0.00 C ATOM 1079 CG2 ILE A 68 15.151 4.569 -1.925 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.927 1.918 -3.399 1.00 0.00 C ATOM 0 H ILE A 68 17.240 4.200 -5.309 1.00 0.00 H new ATOM 0 HA ILE A 68 15.441 6.001 -4.276 1.00 0.00 H new ATOM 0 HB ILE A 68 16.919 3.768 -2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.328 3.699 -4.413 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.864 3.047 -4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.908 3.651 -1.390 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.712 5.234 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.230 5.061 -2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.406 1.272 -4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.850 1.435 -3.078 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.290 2.096 -2.533 1.00 0.00 H new ATOM 1092 N TYR A 69 18.424 6.197 -2.884 1.00 0.00 N ATOM 1093 CA TYR A 69 19.316 7.007 -2.066 1.00 0.00 C ATOM 1094 C TYR A 69 19.339 8.455 -2.560 1.00 0.00 C ATOM 1095 O TYR A 69 18.911 9.370 -1.861 1.00 0.00 O ATOM 1096 CB TYR A 69 20.738 6.416 -2.104 1.00 0.00 C ATOM 1097 CG TYR A 69 21.744 7.132 -1.217 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.896 6.782 0.120 1.00 0.00 C ATOM 1099 CD2 TYR A 69 22.546 8.153 -1.721 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.816 7.426 0.926 1.00 0.00 C ATOM 1101 CE2 TYR A 69 23.466 8.800 -0.919 1.00 0.00 C ATOM 1102 CZ TYR A 69 23.596 8.433 0.402 1.00 0.00 C ATOM 1103 OH TYR A 69 24.513 9.075 1.203 1.00 0.00 O ATOM 0 H TYR A 69 18.882 5.405 -3.334 1.00 0.00 H new ATOM 0 HA TYR A 69 18.948 7.000 -1.040 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.690 5.369 -1.805 1.00 0.00 H new ATOM 0 HB3 TYR A 69 21.099 6.438 -3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.285 5.994 0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 69 22.447 8.444 -2.756 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.923 7.141 1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 69 24.080 9.590 -1.326 1.00 0.00 H new ATOM 0 HH TYR A 69 24.982 9.758 0.680 1.00 0.00 H new ATOM 1113 N GLN A 70 19.802 8.642 -3.788 1.00 0.00 N ATOM 1114 CA GLN A 70 20.079 9.975 -4.322 1.00 0.00 C ATOM 1115 C GLN A 70 18.808 10.748 -4.686 1.00 0.00 C ATOM 1116 O GLN A 70 18.869 11.952 -4.949 1.00 0.00 O ATOM 1117 CB GLN A 70 21.006 9.865 -5.537 1.00 0.00 C ATOM 1118 CG GLN A 70 22.404 9.365 -5.188 1.00 0.00 C ATOM 1119 CD GLN A 70 23.328 9.266 -6.390 1.00 0.00 C ATOM 1120 OE1 GLN A 70 24.228 8.425 -6.425 1.00 0.00 O ATOM 1121 NE2 GLN A 70 23.121 10.122 -7.381 1.00 0.00 N ATOM 0 H GLN A 70 19.996 7.883 -4.441 1.00 0.00 H new ATOM 0 HA GLN A 70 20.571 10.543 -3.532 1.00 0.00 H new ATOM 0 HB2 GLN A 70 20.558 9.190 -6.267 1.00 0.00 H new ATOM 0 HB3 GLN A 70 21.086 10.842 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 70 22.848 10.035 -4.452 1.00 0.00 H new ATOM 0 HG3 GLN A 70 22.324 8.384 -4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 70 22.366 10.804 -7.316 1.00 0.00 H new ATOM 0 HE22 GLN A 70 23.717 10.098 -8.208 1.00 0.00 H new ATOM 1130 N GLU A 71 17.665 10.069 -4.702 1.00 0.00 N ATOM 1131 CA GLU A 71 16.397 10.717 -5.049 1.00 0.00 C ATOM 1132 C GLU A 71 15.578 11.076 -3.809 1.00 0.00 C ATOM 1133 O GLU A 71 15.054 12.190 -3.706 1.00 0.00 O ATOM 1134 CB GLU A 71 15.567 9.821 -5.979 1.00 0.00 C ATOM 1135 CG GLU A 71 16.184 9.627 -7.359 1.00 0.00 C ATOM 1136 CD GLU A 71 15.334 8.754 -8.269 1.00 0.00 C ATOM 1137 OE1 GLU A 71 14.202 9.159 -8.607 1.00 0.00 O ATOM 1138 OE2 GLU A 71 15.801 7.668 -8.671 1.00 0.00 O ATOM 0 H GLU A 71 17.587 9.076 -4.481 1.00 0.00 H new ATOM 0 HA GLU A 71 16.644 11.644 -5.567 1.00 0.00 H new ATOM 0 HB2 GLU A 71 15.438 8.846 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.573 10.254 -6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.327 10.601 -7.828 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.171 9.177 -7.250 1.00 0.00 H new ATOM 1145 N PHE A 72 15.471 10.142 -2.865 1.00 0.00 N ATOM 1146 CA PHE A 72 14.548 10.298 -1.737 1.00 0.00 C ATOM 1147 C PHE A 72 15.273 10.333 -0.389 1.00 0.00 C ATOM 1148 O PHE A 72 14.661 10.640 0.633 1.00 0.00 O ATOM 1149 CB PHE A 72 13.533 9.144 -1.730 1.00 0.00 C ATOM 1150 CG PHE A 72 12.866 8.912 -3.064 1.00 0.00 C ATOM 1151 CD1 PHE A 72 11.827 9.727 -3.493 1.00 0.00 C ATOM 1152 CD2 PHE A 72 13.290 7.883 -3.893 1.00 0.00 C ATOM 1153 CE1 PHE A 72 11.226 9.517 -4.720 1.00 0.00 C ATOM 1154 CE2 PHE A 72 12.695 7.673 -5.121 1.00 0.00 C ATOM 1155 CZ PHE A 72 11.663 8.490 -5.535 1.00 0.00 C ATOM 0 H PHE A 72 16.007 9.274 -2.856 1.00 0.00 H new ATOM 0 HA PHE A 72 14.041 11.254 -1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.039 8.229 -1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 72 12.767 9.350 -0.982 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.485 10.533 -2.861 1.00 0.00 H new ATOM 0 HD2 PHE A 72 14.096 7.238 -3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 72 10.416 10.155 -5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 72 13.037 6.870 -5.757 1.00 0.00 H new ATOM 0 HZ PHE A 72 11.197 8.327 -6.496 1.00 0.00 H new ATOM 1165 N LEU A 73 16.569 10.018 -0.372 1.00 0.00 N ATOM 1166 CA LEU A 73 17.281 9.827 0.898 1.00 0.00 C ATOM 1167 C LEU A 73 18.624 10.562 0.941 1.00 0.00 C ATOM 1168 O LEU A 73 19.383 10.415 1.903 1.00 0.00 O ATOM 1169 CB LEU A 73 17.485 8.326 1.139 1.00 0.00 C ATOM 1170 CG LEU A 73 16.187 7.502 1.225 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.490 6.007 1.201 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.399 7.875 2.479 1.00 0.00 C ATOM 0 H LEU A 73 17.141 9.891 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 73 16.669 10.257 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.101 7.924 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.044 8.194 2.065 1.00 0.00 H new ATOM 0 HG LEU A 73 15.576 7.735 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.558 5.446 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.004 5.755 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.125 5.751 2.049 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.485 7.283 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.005 7.674 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.144 8.934 2.447 1.00 0.00 H new ATOM 1184 N SER A 74 18.918 11.349 -0.087 1.00 0.00 N ATOM 1185 CA SER A 74 20.150 12.131 -0.120 1.00 0.00 C ATOM 1186 C SER A 74 19.971 13.447 0.642 1.00 0.00 C ATOM 1187 O SER A 74 18.845 13.831 0.976 1.00 0.00 O ATOM 1188 CB SER A 74 20.565 12.390 -1.574 1.00 0.00 C ATOM 1189 OG SER A 74 19.463 12.838 -2.344 1.00 0.00 O ATOM 0 H SER A 74 18.323 11.463 -0.907 1.00 0.00 H new ATOM 0 HA SER A 74 20.942 11.566 0.371 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.360 13.135 -1.602 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.970 11.476 -2.009 1.00 0.00 H new ATOM 0 HG SER A 74 19.779 13.149 -3.218 1.00 0.00 H new ATOM 1195 N SER A 75 21.082 14.126 0.922 1.00 0.00 N ATOM 1196 CA SER A 75 21.053 15.382 1.668 1.00 0.00 C ATOM 1197 C SER A 75 20.148 16.405 0.978 1.00 0.00 C ATOM 1198 O SER A 75 19.248 16.979 1.599 1.00 0.00 O ATOM 1199 CB SER A 75 22.478 15.932 1.820 1.00 0.00 C ATOM 1200 OG SER A 75 23.120 16.062 0.558 1.00 0.00 O ATOM 0 H SER A 75 22.016 13.826 0.642 1.00 0.00 H new ATOM 0 HA SER A 75 20.643 15.190 2.659 1.00 0.00 H new ATOM 0 HB2 SER A 75 22.444 16.903 2.315 1.00 0.00 H new ATOM 0 HB3 SER A 75 23.060 15.268 2.460 1.00 0.00 H new ATOM 0 HG SER A 75 24.025 16.416 0.686 1.00 0.00 H new ATOM 1206 N GLN A 76 20.384 16.611 -0.313 1.00 0.00 N ATOM 1207 CA GLN A 76 19.585 17.526 -1.122 1.00 0.00 C ATOM 1208 C GLN A 76 18.677 16.724 -2.054 1.00 0.00 C ATOM 1209 O GLN A 76 18.559 17.027 -3.242 1.00 0.00 O ATOM 1210 CB GLN A 76 20.504 18.452 -1.930 1.00 0.00 C ATOM 1211 CG GLN A 76 21.468 19.267 -1.072 1.00 0.00 C ATOM 1212 CD GLN A 76 22.353 20.191 -1.892 1.00 0.00 C ATOM 1213 OE1 GLN A 76 21.954 20.667 -2.956 1.00 0.00 O ATOM 1214 NE2 GLN A 76 23.558 20.448 -1.407 1.00 0.00 N ATOM 0 H GLN A 76 21.133 16.149 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 76 18.966 18.141 -0.469 1.00 0.00 H new ATOM 0 HB2 GLN A 76 21.079 17.852 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 76 19.890 19.134 -2.518 1.00 0.00 H new ATOM 0 HG2 GLN A 76 20.898 19.859 -0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 76 22.096 18.588 -0.495 1.00 0.00 H new ATOM 0 HE21 GLN A 76 23.851 20.034 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 76 24.194 21.060 -1.918 1.00 0.00 H new ATOM 1223 N ALA A 77 18.047 15.695 -1.493 1.00 0.00 N ATOM 1224 CA ALA A 77 17.172 14.798 -2.249 1.00 0.00 C ATOM 1225 C ALA A 77 16.061 15.554 -2.978 1.00 0.00 C ATOM 1226 O ALA A 77 15.639 16.630 -2.547 1.00 0.00 O ATOM 1227 CB ALA A 77 16.566 13.755 -1.315 1.00 0.00 C ATOM 0 H ALA A 77 18.127 15.458 -0.504 1.00 0.00 H new ATOM 0 HA ALA A 77 17.783 14.306 -3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.916 13.091 -1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 77 17.364 13.173 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 77 15.985 14.255 -0.540 1.00 0.00 H new ATOM 1233 N LEU A 78 15.586 14.970 -4.078 1.00 0.00 N ATOM 1234 CA LEU A 78 14.487 15.544 -4.857 1.00 0.00 C ATOM 1235 C LEU A 78 13.233 15.617 -3.988 1.00 0.00 C ATOM 1236 O LEU A 78 12.406 16.521 -4.125 1.00 0.00 O ATOM 1237 CB LEU A 78 14.212 14.704 -6.120 1.00 0.00 C ATOM 1238 CG LEU A 78 15.294 14.754 -7.221 1.00 0.00 C ATOM 1239 CD1 LEU A 78 16.628 14.190 -6.730 1.00 0.00 C ATOM 1240 CD2 LEU A 78 14.824 14.002 -8.465 1.00 0.00 C ATOM 0 H LEU A 78 15.948 14.093 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 78 14.768 16.548 -5.175 1.00 0.00 H new ATOM 0 HB2 LEU A 78 14.078 13.665 -5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.268 15.035 -6.552 1.00 0.00 H new ATOM 0 HG LEU A 78 15.453 15.801 -7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.363 14.243 -7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.978 14.773 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 78 16.495 13.151 -6.428 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.598 14.047 -9.231 1.00 0.00 H new ATOM 0 HD22 LEU A 78 14.627 12.961 -8.208 1.00 0.00 H new ATOM 0 HD23 LEU A 78 13.911 14.461 -8.844 1.00 0.00 H new ATOM 1252 N SER A 79 13.114 14.639 -3.099 1.00 0.00 N ATOM 1253 CA SER A 79 12.055 14.601 -2.105 1.00 0.00 C ATOM 1254 C SER A 79 12.486 13.671 -0.971 1.00 0.00 C ATOM 1255 O SER A 79 12.363 12.450 -1.086 1.00 0.00 O ATOM 1256 CB SER A 79 10.732 14.130 -2.730 1.00 0.00 C ATOM 1257 OG SER A 79 9.663 14.206 -1.799 1.00 0.00 O ATOM 0 H SER A 79 13.754 13.847 -3.049 1.00 0.00 H new ATOM 0 HA SER A 79 11.886 15.603 -1.712 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.501 14.742 -3.602 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.839 13.103 -3.081 1.00 0.00 H new ATOM 0 HG SER A 79 8.825 14.377 -2.277 1.00 0.00 H new ATOM 1263 N PRO A 80 13.022 14.235 0.132 1.00 0.00 N ATOM 1264 CA PRO A 80 13.571 13.446 1.250 1.00 0.00 C ATOM 1265 C PRO A 80 12.485 12.819 2.136 1.00 0.00 C ATOM 1266 O PRO A 80 12.672 12.687 3.349 1.00 0.00 O ATOM 1267 CB PRO A 80 14.380 14.490 2.032 1.00 0.00 C ATOM 1268 CG PRO A 80 13.663 15.774 1.789 1.00 0.00 C ATOM 1269 CD PRO A 80 13.144 15.691 0.376 1.00 0.00 C ATOM 0 HA PRO A 80 14.155 12.593 0.903 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.416 14.250 3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 80 15.411 14.538 1.681 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.846 15.907 2.499 1.00 0.00 H new ATOM 0 HG3 PRO A 80 14.333 16.625 1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.184 16.196 0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.829 16.159 -0.331 1.00 0.00 H new ATOM 1277 N VAL A 81 11.386 12.387 1.499 1.00 0.00 N ATOM 1278 CA VAL A 81 10.203 11.835 2.180 1.00 0.00 C ATOM 1279 C VAL A 81 9.995 12.418 3.588 1.00 0.00 C ATOM 1280 O VAL A 81 9.388 13.479 3.739 1.00 0.00 O ATOM 1281 CB VAL A 81 10.207 10.272 2.206 1.00 0.00 C ATOM 1282 CG1 VAL A 81 9.639 9.720 0.900 1.00 0.00 C ATOM 1283 CG2 VAL A 81 11.616 9.706 2.435 1.00 0.00 C ATOM 0 H VAL A 81 11.292 12.411 0.484 1.00 0.00 H new ATOM 0 HA VAL A 81 9.348 12.149 1.581 1.00 0.00 H new ATOM 0 HB VAL A 81 9.579 9.960 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.648 8.630 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.615 10.071 0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.248 10.064 0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 81 11.573 8.617 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.275 10.035 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.001 10.064 3.390 1.00 0.00 H new ATOM 1293 N ASN A 82 10.505 11.729 4.607 1.00 0.00 N ATOM 1294 CA ASN A 82 10.453 12.210 5.981 1.00 0.00 C ATOM 1295 C ASN A 82 11.344 11.322 6.850 1.00 0.00 C ATOM 1296 O ASN A 82 12.552 11.556 6.925 1.00 0.00 O ATOM 1297 CB ASN A 82 9.003 12.241 6.509 1.00 0.00 C ATOM 1298 CG ASN A 82 8.877 12.924 7.865 1.00 0.00 C ATOM 1299 OD1 ASN A 82 9.034 12.168 8.941 1.00 0.00 O flip ATOM 1300 ND2 ASN A 82 8.635 14.129 7.940 1.00 0.00 N flip ATOM 0 H ASN A 82 10.964 10.824 4.501 1.00 0.00 H new ATOM 0 HA ASN A 82 10.822 13.235 6.019 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.371 12.759 5.788 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.629 11.220 6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 82 8.520 14.680 7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.549 14.576 8.853 1.00 0.00 H new ATOM 1307 N ILE A 83 10.747 10.261 7.429 1.00 0.00 N ATOM 1308 CA ILE A 83 11.444 9.272 8.276 1.00 0.00 C ATOM 1309 C ILE A 83 12.577 9.880 9.118 1.00 0.00 C ATOM 1310 O ILE A 83 12.566 11.075 9.428 1.00 0.00 O ATOM 1311 CB ILE A 83 11.976 8.078 7.430 1.00 0.00 C ATOM 1312 CG1 ILE A 83 12.993 8.548 6.372 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.814 7.342 6.771 1.00 0.00 C ATOM 1314 CD1 ILE A 83 13.530 7.434 5.498 1.00 0.00 C ATOM 0 H ILE A 83 9.752 10.064 7.320 1.00 0.00 H new ATOM 0 HA ILE A 83 10.696 8.904 8.978 1.00 0.00 H new ATOM 0 HB ILE A 83 12.493 7.391 8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.522 9.299 5.738 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.828 9.035 6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.198 6.509 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 83 10.141 6.963 7.540 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.272 8.027 6.120 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.239 7.845 4.779 1.00 0.00 H new ATOM 0 HD12 ILE A 83 14.032 6.693 6.120 1.00 0.00 H new ATOM 0 HD13 ILE A 83 12.706 6.961 4.964 1.00 0.00 H new ATOM 1326 N ASP A 84 13.524 9.043 9.536 1.00 0.00 N ATOM 1327 CA ASP A 84 14.680 9.499 10.301 1.00 0.00 C ATOM 1328 C ASP A 84 15.938 9.343 9.458 1.00 0.00 C ATOM 1329 O ASP A 84 16.568 8.287 9.457 1.00 0.00 O ATOM 1330 CB ASP A 84 14.815 8.708 11.612 1.00 0.00 C ATOM 1331 CG ASP A 84 13.573 8.805 12.482 1.00 0.00 C ATOM 1332 OD1 ASP A 84 13.373 9.853 13.129 1.00 0.00 O ATOM 1333 OD2 ASP A 84 12.782 7.834 12.514 1.00 0.00 O ATOM 0 H ASP A 84 13.512 8.039 9.356 1.00 0.00 H new ATOM 0 HA ASP A 84 14.542 10.550 10.555 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.012 7.661 11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.675 9.079 12.170 1.00 0.00 H new ATOM 1338 N ARG A 85 16.283 10.393 8.718 1.00 0.00 N ATOM 1339 CA ARG A 85 17.403 10.342 7.780 1.00 0.00 C ATOM 1340 C ARG A 85 18.726 10.654 8.479 1.00 0.00 C ATOM 1341 O ARG A 85 19.800 10.331 7.966 1.00 0.00 O ATOM 1342 CB ARG A 85 17.176 11.320 6.621 1.00 0.00 C ATOM 1343 CG ARG A 85 15.844 11.121 5.902 1.00 0.00 C ATOM 1344 CD ARG A 85 15.699 12.054 4.704 1.00 0.00 C ATOM 1345 NE ARG A 85 15.988 13.451 5.045 1.00 0.00 N ATOM 1346 CZ ARG A 85 15.102 14.304 5.563 1.00 0.00 C ATOM 1347 NH1 ARG A 85 13.868 13.905 5.858 1.00 0.00 N ATOM 1348 NH2 ARG A 85 15.460 15.559 5.793 1.00 0.00 N ATOM 0 H ARG A 85 15.802 11.292 8.749 1.00 0.00 H new ATOM 0 HA ARG A 85 17.459 9.328 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.224 12.340 7.003 1.00 0.00 H new ATOM 0 HB3 ARG A 85 17.987 11.211 5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.763 10.087 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.025 11.296 6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.373 11.730 3.911 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.685 11.981 4.311 1.00 0.00 H new ATOM 0 HE ARG A 85 16.933 13.795 4.874 1.00 0.00 H new ATOM 0 HH11 ARG A 85 13.590 12.938 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.199 14.566 6.254 1.00 0.00 H new ATOM 0 HH21 ARG A 85 16.407 15.867 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.788 16.217 6.189 1.00 0.00 H new ATOM 1362 N GLN A 86 18.649 11.286 9.646 1.00 0.00 N ATOM 1363 CA GLN A 86 19.848 11.607 10.421 1.00 0.00 C ATOM 1364 C GLN A 86 20.341 10.360 11.156 1.00 0.00 C ATOM 1365 O GLN A 86 21.546 10.134 11.291 1.00 0.00 O ATOM 1366 CB GLN A 86 19.559 12.734 11.422 1.00 0.00 C ATOM 1367 CG GLN A 86 18.983 13.998 10.789 1.00 0.00 C ATOM 1368 CD GLN A 86 19.912 14.637 9.767 1.00 0.00 C ATOM 1369 OE1 GLN A 86 20.747 15.478 10.106 1.00 0.00 O ATOM 1370 NE2 GLN A 86 19.770 14.249 8.508 1.00 0.00 N ATOM 0 H GLN A 86 17.774 11.586 10.076 1.00 0.00 H new ATOM 0 HA GLN A 86 20.625 11.948 9.737 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.861 12.367 12.174 1.00 0.00 H new ATOM 0 HB3 GLN A 86 20.482 12.989 11.942 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.036 13.755 10.307 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.765 14.722 11.574 1.00 0.00 H new ATOM 0 HE21 GLN A 86 19.068 13.550 8.266 1.00 0.00 H new ATOM 0 HE22 GLN A 86 20.363 14.649 7.781 1.00 0.00 H new ATOM 1379 N ALA A 87 19.392 9.553 11.626 1.00 0.00 N ATOM 1380 CA ALA A 87 19.697 8.288 12.296 1.00 0.00 C ATOM 1381 C ALA A 87 19.570 7.120 11.316 1.00 0.00 C ATOM 1382 O ALA A 87 19.399 5.967 11.719 1.00 0.00 O ATOM 1383 CB ALA A 87 18.762 8.094 13.486 1.00 0.00 C ATOM 0 H ALA A 87 18.395 9.755 11.554 1.00 0.00 H new ATOM 0 HA ALA A 87 20.725 8.318 12.658 1.00 0.00 H new ATOM 0 HB1 ALA A 87 18.994 7.151 13.981 1.00 0.00 H new ATOM 0 HB2 ALA A 87 18.894 8.915 14.190 1.00 0.00 H new ATOM 0 HB3 ALA A 87 17.729 8.077 13.138 1.00 0.00 H new ATOM 1389 N TRP A 88 19.677 7.432 10.031 1.00 0.00 N ATOM 1390 CA TRP A 88 19.509 6.450 8.963 1.00 0.00 C ATOM 1391 C TRP A 88 20.819 5.682 8.721 1.00 0.00 C ATOM 1392 O TRP A 88 21.827 5.943 9.384 1.00 0.00 O ATOM 1393 CB TRP A 88 19.041 7.177 7.692 1.00 0.00 C ATOM 1394 CG TRP A 88 18.604 6.264 6.591 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.540 5.413 6.608 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.219 6.120 5.312 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.474 4.724 5.424 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.490 5.148 4.608 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.320 6.716 4.695 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.828 4.756 3.321 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.653 6.329 3.414 1.00 0.00 C ATOM 1402 CH2 TRP A 88 19.910 5.358 2.739 1.00 0.00 C ATOM 0 H TRP A 88 19.883 8.374 9.697 1.00 0.00 H new ATOM 0 HA TRP A 88 18.756 5.716 9.250 1.00 0.00 H new ATOM 0 HB2 TRP A 88 18.215 7.840 7.949 1.00 0.00 H new ATOM 0 HB3 TRP A 88 19.853 7.806 7.327 1.00 0.00 H new ATOM 0 HD1 TRP A 88 16.851 5.298 7.432 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.782 4.012 5.189 1.00 0.00 H new ATOM 0 HE3 TRP A 88 20.900 7.466 5.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 18.258 4.003 2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 21.502 6.784 2.925 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.196 5.076 1.736 1.00 0.00 H new ATOM 1413 N LEU A 89 20.796 4.725 7.786 1.00 0.00 N ATOM 1414 CA LEU A 89 21.968 3.902 7.482 1.00 0.00 C ATOM 1415 C LEU A 89 23.079 4.758 6.868 1.00 0.00 C ATOM 1416 O LEU A 89 24.071 5.071 7.524 1.00 0.00 O ATOM 1417 CB LEU A 89 21.610 2.749 6.521 1.00 0.00 C ATOM 1418 CG LEU A 89 20.586 1.716 7.040 1.00 0.00 C ATOM 1419 CD1 LEU A 89 19.167 2.283 7.043 1.00 0.00 C ATOM 1420 CD2 LEU A 89 20.646 0.438 6.205 1.00 0.00 C ATOM 0 H LEU A 89 19.973 4.502 7.225 1.00 0.00 H new ATOM 0 HA LEU A 89 22.321 3.472 8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 89 21.222 3.181 5.599 1.00 0.00 H new ATOM 0 HB3 LEU A 89 22.528 2.221 6.264 1.00 0.00 H new ATOM 0 HG LEU A 89 20.851 1.478 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 89 18.474 1.528 7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 89 19.127 3.161 7.688 1.00 0.00 H new ATOM 0 HD13 LEU A 89 18.886 2.566 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.918 -0.279 6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 89 20.417 0.672 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 89 21.646 0.008 6.269 1.00 0.00 H new ATOM 1432 N GLY A 90 22.897 5.135 5.607 1.00 0.00 N ATOM 1433 CA GLY A 90 23.866 5.977 4.925 1.00 0.00 C ATOM 1434 C GLY A 90 24.775 5.193 3.992 1.00 0.00 C ATOM 1435 O GLY A 90 24.301 4.498 3.094 1.00 0.00 O ATOM 0 H GLY A 90 22.091 4.871 5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 90 23.338 6.741 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 90 24.474 6.496 5.666 1.00 0.00 H new ATOM 1439 N GLU A 91 26.080 5.287 4.232 1.00 0.00 N ATOM 1440 CA GLU A 91 27.095 4.702 3.350 1.00 0.00 C ATOM 1441 C GLU A 91 26.970 3.177 3.280 1.00 0.00 C ATOM 1442 O GLU A 91 27.357 2.556 2.286 1.00 0.00 O ATOM 1443 CB GLU A 91 28.496 5.097 3.845 1.00 0.00 C ATOM 1444 CG GLU A 91 29.630 4.723 2.894 1.00 0.00 C ATOM 1445 CD GLU A 91 29.529 5.431 1.551 1.00 0.00 C ATOM 1446 OE1 GLU A 91 29.648 6.677 1.519 1.00 0.00 O ATOM 1447 OE2 GLU A 91 29.344 4.754 0.521 1.00 0.00 O ATOM 0 H GLU A 91 26.467 5.770 5.043 1.00 0.00 H new ATOM 0 HA GLU A 91 26.937 5.091 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 91 28.519 6.174 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 91 28.675 4.621 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 91 30.585 4.970 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 91 29.623 3.645 2.733 1.00 0.00 H new ATOM 1454 N GLU A 92 26.399 2.585 4.327 1.00 0.00 N ATOM 1455 CA GLU A 92 26.261 1.134 4.418 1.00 0.00 C ATOM 1456 C GLU A 92 25.421 0.620 3.260 1.00 0.00 C ATOM 1457 O GLU A 92 25.573 -0.521 2.820 1.00 0.00 O ATOM 1458 CB GLU A 92 25.621 0.719 5.755 1.00 0.00 C ATOM 1459 CG GLU A 92 26.461 1.048 6.990 1.00 0.00 C ATOM 1460 CD GLU A 92 26.287 2.478 7.487 1.00 0.00 C ATOM 1461 OE1 GLU A 92 26.818 3.411 6.849 1.00 0.00 O ATOM 1462 OE2 GLU A 92 25.641 2.669 8.536 1.00 0.00 O ATOM 0 H GLU A 92 26.023 3.092 5.128 1.00 0.00 H new ATOM 0 HA GLU A 92 27.257 0.694 4.367 1.00 0.00 H new ATOM 0 HB2 GLU A 92 24.653 1.211 5.848 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.432 -0.354 5.735 1.00 0.00 H new ATOM 0 HG2 GLU A 92 26.196 0.359 7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 92 27.513 0.879 6.759 1.00 0.00 H new ATOM 1469 N VAL A 93 24.551 1.490 2.763 1.00 0.00 N ATOM 1470 CA VAL A 93 23.667 1.161 1.658 1.00 0.00 C ATOM 1471 C VAL A 93 24.460 0.960 0.369 1.00 0.00 C ATOM 1472 O VAL A 93 24.225 0.011 -0.381 1.00 0.00 O ATOM 1473 CB VAL A 93 22.611 2.274 1.446 1.00 0.00 C ATOM 1474 CG1 VAL A 93 21.799 2.034 0.174 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.696 2.380 2.666 1.00 0.00 C ATOM 0 H VAL A 93 24.440 2.441 3.115 1.00 0.00 H new ATOM 0 HA VAL A 93 23.157 0.231 1.910 1.00 0.00 H new ATOM 0 HB VAL A 93 23.137 3.221 1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 93 21.067 2.832 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 93 22.467 2.022 -0.687 1.00 0.00 H new ATOM 0 HG13 VAL A 93 21.283 1.076 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.960 3.167 2.501 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.184 1.430 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 93 22.291 2.619 3.547 1.00 0.00 H new ATOM 1485 N LEU A 94 25.410 1.857 0.131 1.00 0.00 N ATOM 1486 CA LEU A 94 26.215 1.830 -1.086 1.00 0.00 C ATOM 1487 C LEU A 94 27.306 0.769 -0.977 1.00 0.00 C ATOM 1488 O LEU A 94 27.839 0.300 -1.987 1.00 0.00 O ATOM 1489 CB LEU A 94 26.852 3.208 -1.347 1.00 0.00 C ATOM 1490 CG LEU A 94 25.872 4.368 -1.636 1.00 0.00 C ATOM 1491 CD1 LEU A 94 24.917 4.008 -2.772 1.00 0.00 C ATOM 1492 CD2 LEU A 94 25.099 4.771 -0.380 1.00 0.00 C ATOM 0 H LEU A 94 25.643 2.617 0.770 1.00 0.00 H new ATOM 0 HA LEU A 94 25.560 1.583 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 94 27.455 3.477 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 94 27.533 3.116 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 94 26.463 5.228 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 94 24.238 4.841 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 94 25.489 3.801 -3.676 1.00 0.00 H new ATOM 0 HD13 LEU A 94 24.341 3.125 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 94 24.419 5.589 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 94 24.527 3.918 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 94 25.799 5.094 0.390 1.00 0.00 H new ATOM 1504 N ALA A 95 27.640 0.412 0.259 1.00 0.00 N ATOM 1505 CA ALA A 95 28.672 -0.583 0.532 1.00 0.00 C ATOM 1506 C ALA A 95 28.129 -2.005 0.383 1.00 0.00 C ATOM 1507 O ALA A 95 28.730 -2.843 -0.297 1.00 0.00 O ATOM 1508 CB ALA A 95 29.240 -0.374 1.932 1.00 0.00 C ATOM 0 H ALA A 95 27.206 0.802 1.096 1.00 0.00 H new ATOM 0 HA ALA A 95 29.469 -0.455 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.010 -1.121 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.675 0.623 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 95 28.442 -0.474 2.667 1.00 0.00 H new ATOM 1514 N GLU A 96 26.989 -2.273 1.016 1.00 0.00 N ATOM 1515 CA GLU A 96 26.395 -3.610 1.011 1.00 0.00 C ATOM 1516 C GLU A 96 24.893 -3.540 0.730 1.00 0.00 C ATOM 1517 O GLU A 96 24.099 -3.292 1.636 1.00 0.00 O ATOM 1518 CB GLU A 96 26.632 -4.311 2.358 1.00 0.00 C ATOM 1519 CG GLU A 96 28.098 -4.526 2.708 1.00 0.00 C ATOM 1520 CD GLU A 96 28.273 -5.288 4.010 1.00 0.00 C ATOM 1521 OE1 GLU A 96 28.288 -4.649 5.083 1.00 0.00 O ATOM 1522 OE2 GLU A 96 28.381 -6.533 3.970 1.00 0.00 O ATOM 0 H GLU A 96 26.456 -1.580 1.541 1.00 0.00 H new ATOM 0 HA GLU A 96 26.875 -4.183 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 96 26.166 -3.721 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 96 26.129 -5.278 2.343 1.00 0.00 H new ATOM 0 HG2 GLU A 96 28.586 -5.073 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 96 28.597 -3.560 2.785 1.00 0.00 H new ATOM 1529 N PRO A 97 24.482 -3.745 -0.532 1.00 0.00 N ATOM 1530 CA PRO A 97 23.066 -3.760 -0.902 1.00 0.00 C ATOM 1531 C PRO A 97 22.406 -5.112 -0.601 1.00 0.00 C ATOM 1532 O PRO A 97 23.054 -6.158 -0.672 1.00 0.00 O ATOM 1533 CB PRO A 97 23.111 -3.488 -2.407 1.00 0.00 C ATOM 1534 CG PRO A 97 24.398 -4.098 -2.858 1.00 0.00 C ATOM 1535 CD PRO A 97 25.362 -3.961 -1.702 1.00 0.00 C ATOM 0 HA PRO A 97 22.474 -3.035 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.259 -3.937 -2.917 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.083 -2.419 -2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.259 -5.145 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.779 -3.590 -3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 97 25.973 -4.855 -1.583 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.046 -3.125 -1.848 1.00 0.00 H new ATOM 1543 N ARG A 98 21.128 -5.075 -0.239 1.00 0.00 N ATOM 1544 CA ARG A 98 20.349 -6.282 0.050 1.00 0.00 C ATOM 1545 C ARG A 98 18.864 -5.982 -0.127 1.00 0.00 C ATOM 1546 O ARG A 98 18.433 -4.866 0.145 1.00 0.00 O ATOM 1547 CB ARG A 98 20.618 -6.796 1.479 1.00 0.00 C ATOM 1548 CG ARG A 98 20.558 -5.716 2.564 1.00 0.00 C ATOM 1549 CD ARG A 98 21.950 -5.228 2.952 1.00 0.00 C ATOM 1550 NE ARG A 98 22.722 -6.274 3.635 1.00 0.00 N ATOM 1551 CZ ARG A 98 23.834 -6.834 3.153 1.00 0.00 C ATOM 1552 NH1 ARG A 98 24.287 -6.512 1.947 1.00 0.00 N ATOM 1553 NH2 ARG A 98 24.488 -7.734 3.871 1.00 0.00 N ATOM 0 H ARG A 98 20.599 -4.209 -0.137 1.00 0.00 H new ATOM 0 HA ARG A 98 20.653 -7.063 -0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 98 19.890 -7.572 1.716 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.602 -7.264 1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 98 19.964 -4.875 2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.053 -6.113 3.445 1.00 0.00 H new ATOM 0 HD2 ARG A 98 22.485 -4.906 2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.862 -4.357 3.602 1.00 0.00 H new ATOM 0 HE ARG A 98 22.385 -6.596 4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 98 23.784 -5.830 1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 98 25.138 -6.946 1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 98 24.142 -8.000 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 98 25.337 -8.161 3.502 1.00 0.00 H new ATOM 1567 N PRO A 99 18.052 -6.973 -0.555 1.00 0.00 N ATOM 1568 CA PRO A 99 16.622 -6.763 -0.874 1.00 0.00 C ATOM 1569 C PRO A 99 15.740 -6.539 0.364 1.00 0.00 C ATOM 1570 O PRO A 99 14.546 -6.846 0.351 1.00 0.00 O ATOM 1571 CB PRO A 99 16.238 -8.065 -1.587 1.00 0.00 C ATOM 1572 CG PRO A 99 17.148 -9.090 -1.002 1.00 0.00 C ATOM 1573 CD PRO A 99 18.455 -8.382 -0.757 1.00 0.00 C ATOM 0 HA PRO A 99 16.471 -5.861 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.192 -8.318 -1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.373 -7.982 -2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 99 16.740 -9.492 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 99 17.280 -9.931 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 99 18.970 -8.781 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.134 -8.488 -1.603 1.00 0.00 H new ATOM 1581 N ASP A 100 16.328 -5.987 1.418 1.00 0.00 N ATOM 1582 CA ASP A 100 15.602 -5.656 2.639 1.00 0.00 C ATOM 1583 C ASP A 100 15.804 -4.169 2.950 1.00 0.00 C ATOM 1584 O ASP A 100 15.048 -3.325 2.467 1.00 0.00 O ATOM 1585 CB ASP A 100 16.088 -6.552 3.795 1.00 0.00 C ATOM 1586 CG ASP A 100 15.329 -6.318 5.092 1.00 0.00 C ATOM 1587 OD1 ASP A 100 14.300 -6.987 5.312 1.00 0.00 O ATOM 1588 OD2 ASP A 100 15.760 -5.472 5.903 1.00 0.00 O ATOM 0 H ASP A 100 17.321 -5.756 1.451 1.00 0.00 H new ATOM 0 HA ASP A 100 14.535 -5.839 2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 100 15.985 -7.597 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.149 -6.372 3.965 1.00 0.00 H new ATOM 1593 N MET A 101 16.833 -3.870 3.744 1.00 0.00 N ATOM 1594 CA MET A 101 17.335 -2.507 3.963 1.00 0.00 C ATOM 1595 C MET A 101 16.224 -1.457 4.153 1.00 0.00 C ATOM 1596 O MET A 101 15.808 -1.180 5.281 1.00 0.00 O ATOM 1597 CB MET A 101 18.260 -2.105 2.802 1.00 0.00 C ATOM 1598 CG MET A 101 18.938 -0.753 2.980 1.00 0.00 C ATOM 1599 SD MET A 101 20.059 -0.363 1.622 1.00 0.00 S ATOM 1600 CE MET A 101 21.267 -1.677 1.780 1.00 0.00 C ATOM 0 H MET A 101 17.352 -4.578 4.263 1.00 0.00 H new ATOM 0 HA MET A 101 17.890 -2.525 4.901 1.00 0.00 H new ATOM 0 HB2 MET A 101 19.027 -2.870 2.682 1.00 0.00 H new ATOM 0 HB3 MET A 101 17.680 -2.089 1.879 1.00 0.00 H new ATOM 0 HG2 MET A 101 18.178 0.025 3.055 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.493 -0.748 3.918 1.00 0.00 H new ATOM 0 HE1 MET A 101 22.153 -1.429 1.196 1.00 0.00 H new ATOM 0 HE2 MET A 101 21.544 -1.793 2.828 1.00 0.00 H new ATOM 0 HE3 MET A 101 20.840 -2.610 1.412 1.00 0.00 H new ATOM 1610 N PHE A 102 15.728 -0.906 3.043 1.00 0.00 N ATOM 1611 CA PHE A 102 14.843 0.263 3.079 1.00 0.00 C ATOM 1612 C PHE A 102 13.443 -0.098 3.563 1.00 0.00 C ATOM 1613 O PHE A 102 12.678 0.784 3.952 1.00 0.00 O ATOM 1614 CB PHE A 102 14.724 0.905 1.690 1.00 0.00 C ATOM 1615 CG PHE A 102 16.039 1.208 1.021 1.00 0.00 C ATOM 1616 CD1 PHE A 102 16.866 2.217 1.494 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.439 0.487 -0.092 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.065 2.495 0.865 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.633 0.765 -0.723 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.445 1.770 -0.245 1.00 0.00 C ATOM 0 H PHE A 102 15.925 -1.252 2.104 1.00 0.00 H new ATOM 0 HA PHE A 102 15.292 0.967 3.779 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.149 0.240 1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.156 1.831 1.780 1.00 0.00 H new ATOM 0 HD1 PHE A 102 16.570 2.790 2.361 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.807 -0.303 -0.470 1.00 0.00 H new ATOM 0 HE1 PHE A 102 18.704 3.280 1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.931 0.196 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.379 1.990 -0.740 1.00 0.00 H new ATOM 1630 N ARG A 103 13.112 -1.386 3.538 1.00 0.00 N ATOM 1631 CA ARG A 103 11.749 -1.830 3.831 1.00 0.00 C ATOM 1632 C ARG A 103 11.282 -1.359 5.211 1.00 0.00 C ATOM 1633 O ARG A 103 10.084 -1.231 5.457 1.00 0.00 O ATOM 1634 CB ARG A 103 11.627 -3.360 3.681 1.00 0.00 C ATOM 1635 CG ARG A 103 12.536 -4.180 4.600 1.00 0.00 C ATOM 1636 CD ARG A 103 11.950 -4.371 5.995 1.00 0.00 C ATOM 1637 NE ARG A 103 12.807 -5.212 6.830 1.00 0.00 N ATOM 1638 CZ ARG A 103 12.376 -5.941 7.858 1.00 0.00 C ATOM 1639 NH1 ARG A 103 11.089 -5.947 8.183 1.00 0.00 N ATOM 1640 NH2 ARG A 103 13.236 -6.676 8.548 1.00 0.00 N ATOM 0 H ARG A 103 13.764 -2.139 3.319 1.00 0.00 H new ATOM 0 HA ARG A 103 11.086 -1.368 3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.592 -3.646 3.871 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.847 -3.626 2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.715 -5.156 4.149 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.504 -3.685 4.682 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.819 -3.399 6.471 1.00 0.00 H new ATOM 0 HD3 ARG A 103 10.962 -4.824 5.916 1.00 0.00 H new ATOM 0 HE ARG A 103 13.803 -5.242 6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.424 -5.391 7.644 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.765 -6.507 8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 103 14.223 -6.682 8.291 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.911 -7.236 9.336 1.00 0.00 H new ATOM 1654 N ALA A 104 12.232 -1.090 6.101 1.00 0.00 N ATOM 1655 CA ALA A 104 11.907 -0.566 7.424 1.00 0.00 C ATOM 1656 C ALA A 104 11.447 0.890 7.321 1.00 0.00 C ATOM 1657 O ALA A 104 10.519 1.314 8.011 1.00 0.00 O ATOM 1658 CB ALA A 104 13.105 -0.697 8.358 1.00 0.00 C ATOM 0 H ALA A 104 13.229 -1.225 5.932 1.00 0.00 H new ATOM 0 HA ALA A 104 11.088 -1.152 7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 104 12.846 -0.302 9.340 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.381 -1.747 8.451 1.00 0.00 H new ATOM 0 HB3 ALA A 104 13.946 -0.136 7.952 1.00 0.00 H new ATOM 1664 N GLN A 105 12.095 1.646 6.435 1.00 0.00 N ATOM 1665 CA GLN A 105 11.753 3.050 6.218 1.00 0.00 C ATOM 1666 C GLN A 105 10.470 3.169 5.395 1.00 0.00 C ATOM 1667 O GLN A 105 9.593 3.975 5.712 1.00 0.00 O ATOM 1668 CB GLN A 105 12.894 3.796 5.504 1.00 0.00 C ATOM 1669 CG GLN A 105 14.163 3.981 6.339 1.00 0.00 C ATOM 1670 CD GLN A 105 14.935 2.690 6.568 1.00 0.00 C ATOM 1671 OE1 GLN A 105 15.777 2.310 5.757 1.00 0.00 O ATOM 1672 NE2 GLN A 105 14.670 2.026 7.680 1.00 0.00 N ATOM 0 H GLN A 105 12.862 1.307 5.854 1.00 0.00 H new ATOM 0 HA GLN A 105 11.597 3.506 7.196 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.151 3.253 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.532 4.777 5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.814 4.700 5.841 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.893 4.409 7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 105 13.963 2.376 8.327 1.00 0.00 H new ATOM 0 HE22 GLN A 105 15.172 1.164 7.891 1.00 0.00 H new ATOM 1681 N GLN A 106 10.361 2.354 4.342 1.00 0.00 N ATOM 1682 CA GLN A 106 9.195 2.389 3.457 1.00 0.00 C ATOM 1683 C GLN A 106 7.933 2.089 4.257 1.00 0.00 C ATOM 1684 O GLN A 106 6.872 2.668 4.019 1.00 0.00 O ATOM 1685 CB GLN A 106 9.360 1.392 2.286 1.00 0.00 C ATOM 1686 CG GLN A 106 9.145 -0.083 2.645 1.00 0.00 C ATOM 1687 CD GLN A 106 7.742 -0.592 2.340 1.00 0.00 C ATOM 1688 OE1 GLN A 106 6.843 -0.523 3.177 1.00 0.00 O ATOM 1689 NE2 GLN A 106 7.551 -1.116 1.140 1.00 0.00 N ATOM 0 H GLN A 106 11.065 1.663 4.082 1.00 0.00 H new ATOM 0 HA GLN A 106 9.109 3.387 3.028 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.657 1.663 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 106 10.362 1.506 1.872 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.868 -0.689 2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 106 9.349 -0.222 3.707 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.321 -1.156 0.472 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.634 -1.480 0.883 1.00 0.00 H new ATOM 1698 N LEU A 107 8.074 1.197 5.233 1.00 0.00 N ATOM 1699 CA LEU A 107 6.962 0.811 6.083 1.00 0.00 C ATOM 1700 C LEU A 107 6.568 1.966 7.002 1.00 0.00 C ATOM 1701 O LEU A 107 5.418 2.067 7.424 1.00 0.00 O ATOM 1702 CB LEU A 107 7.323 -0.435 6.903 1.00 0.00 C ATOM 1703 CG LEU A 107 6.142 -1.127 7.604 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.120 -1.625 6.582 1.00 0.00 C ATOM 1705 CD2 LEU A 107 6.636 -2.277 8.481 1.00 0.00 C ATOM 0 H LEU A 107 8.953 0.728 5.452 1.00 0.00 H new ATOM 0 HA LEU A 107 6.108 0.570 5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 107 7.805 -1.156 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.057 -0.153 7.658 1.00 0.00 H new ATOM 0 HG LEU A 107 5.650 -0.396 8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.294 -2.111 7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.741 -0.781 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.596 -2.339 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.786 -2.754 8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.157 -3.008 7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.318 -1.890 9.238 1.00 0.00 H new ATOM 1717 N GLN A 108 7.520 2.850 7.301 1.00 0.00 N ATOM 1718 CA GLN A 108 7.239 4.009 8.144 1.00 0.00 C ATOM 1719 C GLN A 108 6.411 5.032 7.361 1.00 0.00 C ATOM 1720 O GLN A 108 5.567 5.727 7.931 1.00 0.00 O ATOM 1721 CB GLN A 108 8.537 4.634 8.688 1.00 0.00 C ATOM 1722 CG GLN A 108 8.296 5.669 9.783 1.00 0.00 C ATOM 1723 CD GLN A 108 9.565 6.053 10.527 1.00 0.00 C ATOM 1724 OE1 GLN A 108 10.257 7.001 10.155 1.00 0.00 O ATOM 1725 NE2 GLN A 108 9.881 5.312 11.577 1.00 0.00 N ATOM 0 H GLN A 108 8.484 2.786 6.975 1.00 0.00 H new ATOM 0 HA GLN A 108 6.659 3.680 9.006 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.176 3.843 9.080 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.078 5.104 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 108 7.856 6.563 9.340 1.00 0.00 H new ATOM 0 HG3 GLN A 108 7.570 5.275 10.494 1.00 0.00 H new ATOM 0 HE21 GLN A 108 9.280 4.535 11.852 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.725 5.518 12.111 1.00 0.00 H new ATOM 1734 N ILE A 109 6.651 5.111 6.048 1.00 0.00 N ATOM 1735 CA ILE A 109 5.792 5.891 5.152 1.00 0.00 C ATOM 1736 C ILE A 109 4.393 5.283 5.153 1.00 0.00 C ATOM 1737 O ILE A 109 3.384 5.987 5.269 1.00 0.00 O ATOM 1738 CB ILE A 109 6.338 5.929 3.688 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.478 6.952 3.542 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.224 6.231 2.681 1.00 0.00 C ATOM 1741 CD1 ILE A 109 8.730 6.602 4.311 1.00 0.00 C ATOM 0 H ILE A 109 7.431 4.646 5.583 1.00 0.00 H new ATOM 0 HA ILE A 109 5.771 6.917 5.520 1.00 0.00 H new ATOM 0 HB ILE A 109 6.735 4.938 3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.730 7.050 2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.121 7.926 3.876 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.640 6.250 1.673 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.458 5.458 2.743 1.00 0.00 H new ATOM 0 HG23 ILE A 109 4.781 7.200 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.482 7.375 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.497 6.534 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.115 5.644 3.962 1.00 0.00 H new ATOM 1753 N PHE A 110 4.360 3.960 5.043 1.00 0.00 N ATOM 1754 CA PHE A 110 3.119 3.201 5.044 1.00 0.00 C ATOM 1755 C PHE A 110 2.289 3.527 6.288 1.00 0.00 C ATOM 1756 O PHE A 110 1.147 3.984 6.185 1.00 0.00 O ATOM 1757 CB PHE A 110 3.439 1.700 4.994 1.00 0.00 C ATOM 1758 CG PHE A 110 2.232 0.816 4.817 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.496 0.379 5.911 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.836 0.425 3.551 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.390 -0.428 5.738 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.734 -0.381 3.374 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.010 -0.807 4.467 1.00 0.00 C ATOM 0 H PHE A 110 5.196 3.384 4.950 1.00 0.00 H new ATOM 0 HA PHE A 110 2.534 3.474 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.134 1.515 4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 110 3.950 1.418 5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 110 1.792 0.674 6.907 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.398 0.756 2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -0.176 -0.762 6.595 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.437 -0.679 2.379 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.855 -1.438 4.328 1.00 0.00 H new ATOM 1773 N ASN A 111 2.886 3.313 7.461 1.00 0.00 N ATOM 1774 CA ASN A 111 2.203 3.533 8.741 1.00 0.00 C ATOM 1775 C ASN A 111 1.802 4.997 8.919 1.00 0.00 C ATOM 1776 O ASN A 111 0.848 5.300 9.640 1.00 0.00 O ATOM 1777 CB ASN A 111 3.080 3.079 9.922 1.00 0.00 C ATOM 1778 CG ASN A 111 3.103 1.568 10.093 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.248 0.997 10.771 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.084 0.911 9.499 1.00 0.00 N ATOM 0 H ASN A 111 3.848 2.985 7.553 1.00 0.00 H new ATOM 0 HA ASN A 111 1.295 2.930 8.728 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.098 3.438 9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.712 3.538 10.839 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.150 -0.102 9.595 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.775 1.417 8.945 1.00 0.00 H new ATOM 1787 N LEU A 112 2.523 5.897 8.256 1.00 0.00 N ATOM 1788 CA LEU A 112 2.234 7.329 8.337 1.00 0.00 C ATOM 1789 C LEU A 112 0.862 7.614 7.719 1.00 0.00 C ATOM 1790 O LEU A 112 -0.031 8.153 8.379 1.00 0.00 O ATOM 1791 CB LEU A 112 3.345 8.133 7.623 1.00 0.00 C ATOM 1792 CG LEU A 112 3.424 9.647 7.942 1.00 0.00 C ATOM 1793 CD1 LEU A 112 4.742 10.228 7.431 1.00 0.00 C ATOM 1794 CD2 LEU A 112 2.246 10.416 7.339 1.00 0.00 C ATOM 0 H LEU A 112 3.313 5.661 7.655 1.00 0.00 H new ATOM 0 HA LEU A 112 2.211 7.638 9.382 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.305 7.682 7.873 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.210 8.019 6.547 1.00 0.00 H new ATOM 0 HG LEU A 112 3.376 9.757 9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.784 11.292 7.662 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.576 9.719 7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.807 10.088 6.352 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.338 11.474 7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.248 10.294 6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.312 10.029 7.746 1.00 0.00 H new ATOM 1806 N MET A 113 0.693 7.225 6.458 1.00 0.00 N ATOM 1807 CA MET A 113 -0.558 7.471 5.738 1.00 0.00 C ATOM 1808 C MET A 113 -1.637 6.481 6.167 1.00 0.00 C ATOM 1809 O MET A 113 -2.826 6.710 5.934 1.00 0.00 O ATOM 1810 CB MET A 113 -0.342 7.390 4.223 1.00 0.00 C ATOM 1811 CG MET A 113 0.702 8.369 3.705 1.00 0.00 C ATOM 1812 SD MET A 113 0.291 10.080 4.103 1.00 0.00 S ATOM 1813 CE MET A 113 1.700 10.947 3.415 1.00 0.00 C ATOM 0 H MET A 113 1.404 6.739 5.912 1.00 0.00 H new ATOM 0 HA MET A 113 -0.892 8.478 5.988 1.00 0.00 H new ATOM 0 HB2 MET A 113 -0.039 6.376 3.961 1.00 0.00 H new ATOM 0 HB3 MET A 113 -1.289 7.580 3.718 1.00 0.00 H new ATOM 0 HG2 MET A 113 1.673 8.122 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 113 0.794 8.261 2.624 1.00 0.00 H new ATOM 0 HE1 MET A 113 1.876 11.862 3.981 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.582 10.310 3.472 1.00 0.00 H new ATOM 0 HE3 MET A 113 1.500 11.198 2.373 1.00 0.00 H new ATOM 1823 N LYS A 114 -1.206 5.393 6.805 1.00 0.00 N ATOM 1824 CA LYS A 114 -2.100 4.336 7.288 1.00 0.00 C ATOM 1825 C LYS A 114 -3.152 4.896 8.251 1.00 0.00 C ATOM 1826 O LYS A 114 -4.217 4.306 8.432 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.260 3.241 7.968 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.042 2.042 8.508 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.093 0.919 8.933 1.00 0.00 C ATOM 1830 CE LYS A 114 -1.822 -0.255 9.580 1.00 0.00 C ATOM 1831 NZ LYS A 114 -2.351 0.086 10.927 1.00 0.00 N ATOM 0 H LYS A 114 -0.221 5.217 7.003 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.636 3.908 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.523 2.878 7.252 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.708 3.692 8.793 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.649 2.352 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.727 1.675 7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.543 0.564 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.358 1.316 9.634 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.645 -0.569 8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.141 -1.102 9.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.831 -0.451 11.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.232 1.105 11.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.361 -0.157 10.975 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.846 6.038 8.864 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.784 6.711 9.766 1.00 0.00 C ATOM 1847 C PHE A 115 -3.975 8.170 9.357 1.00 0.00 C ATOM 1848 O PHE A 115 -4.394 9.000 10.166 1.00 0.00 O ATOM 1849 CB PHE A 115 -3.286 6.627 11.216 1.00 0.00 C ATOM 1850 CG PHE A 115 -3.396 5.245 11.810 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -4.594 4.810 12.361 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -2.309 4.381 11.813 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -4.705 3.545 12.904 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -2.418 3.116 12.355 1.00 0.00 C ATOM 1855 CZ PHE A 115 -3.616 2.696 12.901 1.00 0.00 C ATOM 0 H PHE A 115 -1.954 6.519 8.753 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.747 6.205 9.696 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.245 6.948 11.254 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -3.857 7.324 11.829 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -5.450 5.469 12.365 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -1.370 4.702 11.387 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -5.643 3.220 13.331 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.565 2.453 12.352 1.00 0.00 H new ATOM 0 HZ PHE A 115 -3.700 1.706 13.324 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.698 8.474 8.092 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.812 9.843 7.590 1.00 0.00 C ATOM 1867 C ASP A 116 -4.500 9.871 6.221 1.00 0.00 C ATOM 1868 O ASP A 116 -5.729 9.932 6.143 1.00 0.00 O ATOM 1869 CB ASP A 116 -2.427 10.506 7.519 1.00 0.00 C ATOM 1870 CG ASP A 116 -2.479 11.919 6.956 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -2.827 12.857 7.706 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -2.167 12.097 5.760 1.00 0.00 O ATOM 0 H ASP A 116 -3.393 7.793 7.396 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.430 10.410 8.286 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -1.990 10.533 8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.769 9.897 6.900 1.00 0.00 H new ATOM 1877 N SER A 117 -3.714 9.794 5.148 1.00 0.00 N ATOM 1878 CA SER A 117 -4.257 9.883 3.794 1.00 0.00 C ATOM 1879 C SER A 117 -5.197 8.711 3.507 1.00 0.00 C ATOM 1880 O SER A 117 -6.257 8.891 2.905 1.00 0.00 O ATOM 1881 CB SER A 117 -3.117 9.937 2.771 1.00 0.00 C ATOM 1882 OG SER A 117 -2.279 11.059 3.011 1.00 0.00 O ATOM 0 H SER A 117 -2.702 9.671 5.190 1.00 0.00 H new ATOM 0 HA SER A 117 -4.838 10.802 3.711 1.00 0.00 H new ATOM 0 HB2 SER A 117 -2.530 9.020 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 117 -3.529 9.993 1.763 1.00 0.00 H new ATOM 0 HG SER A 117 -1.341 10.778 2.985 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.812 7.518 3.957 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.660 6.330 3.830 1.00 0.00 C ATOM 1890 C TYR A 118 -6.994 6.547 4.541 1.00 0.00 C ATOM 1891 O TYR A 118 -8.057 6.229 4.002 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.936 5.107 4.415 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.805 3.870 4.584 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.310 3.188 3.481 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.107 3.377 5.851 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.086 2.055 3.637 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -6.885 2.246 6.013 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.372 1.589 4.904 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.141 0.458 5.065 1.00 0.00 O ATOM 0 H TYR A 118 -3.916 7.346 4.414 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.860 6.152 2.773 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -4.095 4.857 3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.522 5.378 5.386 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.092 3.550 2.487 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.726 3.888 6.723 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.467 1.536 2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.110 1.879 7.004 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.354 0.079 4.187 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.921 7.119 5.740 1.00 0.00 N ATOM 1910 CA ALA A 119 -8.098 7.326 6.578 1.00 0.00 C ATOM 1911 C ALA A 119 -9.132 8.206 5.876 1.00 0.00 C ATOM 1912 O ALA A 119 -10.327 7.908 5.897 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.692 7.941 7.914 1.00 0.00 C ATOM 0 H ALA A 119 -6.050 7.450 6.156 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.558 6.355 6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.579 8.091 8.530 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.002 7.272 8.428 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.205 8.901 7.740 1.00 0.00 H new ATOM 1919 N ARG A 120 -8.670 9.287 5.247 1.00 0.00 N ATOM 1920 CA ARG A 120 -9.578 10.209 4.574 1.00 0.00 C ATOM 1921 C ARG A 120 -10.044 9.634 3.238 1.00 0.00 C ATOM 1922 O ARG A 120 -11.228 9.704 2.905 1.00 0.00 O ATOM 1923 CB ARG A 120 -8.927 11.582 4.347 1.00 0.00 C ATOM 1924 CG ARG A 120 -9.929 12.643 3.893 1.00 0.00 C ATOM 1925 CD ARG A 120 -9.262 13.958 3.503 1.00 0.00 C ATOM 1926 NE ARG A 120 -10.249 15.014 3.246 1.00 0.00 N ATOM 1927 CZ ARG A 120 -11.115 15.017 2.224 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -11.107 14.043 1.321 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -11.991 16.006 2.106 1.00 0.00 N ATOM 0 H ARG A 120 -7.684 9.542 5.191 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.440 10.343 5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.450 11.910 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -8.141 11.487 3.598 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.495 12.262 3.043 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.644 12.827 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.590 14.275 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.652 13.806 2.613 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.277 15.802 3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -10.435 13.279 1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.772 14.059 0.548 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.004 16.761 2.792 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.652 16.012 1.329 1.00 0.00 H new ATOM 1943 N PHE A 121 -9.108 9.056 2.490 1.00 0.00 N ATOM 1944 CA PHE A 121 -9.389 8.534 1.152 1.00 0.00 C ATOM 1945 C PHE A 121 -10.605 7.606 1.156 1.00 0.00 C ATOM 1946 O PHE A 121 -11.532 7.776 0.362 1.00 0.00 O ATOM 1947 CB PHE A 121 -8.158 7.792 0.607 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.378 7.153 -0.742 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.370 7.921 -1.898 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.596 5.786 -0.856 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.573 7.341 -3.135 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -8.799 5.203 -2.090 1.00 0.00 C ATOM 1953 CZ PHE A 121 -8.787 5.981 -3.231 1.00 0.00 C ATOM 0 H PHE A 121 -8.140 8.936 2.789 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.617 9.379 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.326 8.492 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.865 7.021 1.320 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.203 8.986 -1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.607 5.172 0.032 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.564 7.951 -4.026 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -8.967 4.139 -2.164 1.00 0.00 H new ATOM 0 HZ PHE A 121 -8.945 5.526 -4.197 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.608 6.646 2.072 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.654 5.625 2.116 1.00 0.00 C ATOM 1965 C VAL A 122 -12.997 6.193 2.587 1.00 0.00 C ATOM 1966 O VAL A 122 -14.036 5.559 2.403 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.250 4.436 3.024 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -9.983 3.768 2.497 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.067 4.892 4.473 1.00 0.00 C ATOM 0 H VAL A 122 -9.897 6.551 2.797 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.772 5.268 1.093 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.056 3.702 3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.714 2.935 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.160 3.398 1.487 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.169 4.493 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.784 4.039 5.090 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.285 5.650 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -12.002 5.313 4.843 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.983 7.380 3.199 1.00 0.00 N ATOM 1980 CA LYS A 123 -14.224 8.006 3.663 1.00 0.00 C ATOM 1981 C LYS A 123 -14.641 9.148 2.736 1.00 0.00 C ATOM 1982 O LYS A 123 -15.684 9.774 2.941 1.00 0.00 O ATOM 1983 CB LYS A 123 -14.091 8.513 5.110 1.00 0.00 C ATOM 1984 CG LYS A 123 -13.156 9.708 5.285 1.00 0.00 C ATOM 1985 CD LYS A 123 -13.121 10.192 6.734 1.00 0.00 C ATOM 1986 CE LYS A 123 -12.214 11.406 6.909 1.00 0.00 C ATOM 1987 NZ LYS A 123 -12.186 11.879 8.316 1.00 0.00 N ATOM 0 H LYS A 123 -12.138 7.921 3.383 1.00 0.00 H new ATOM 0 HA LYS A 123 -15.001 7.242 3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -15.080 8.786 5.477 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -13.734 7.695 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -12.150 9.432 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -13.481 10.522 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -14.131 10.445 7.056 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -12.774 9.384 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -11.203 11.152 6.591 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -12.558 12.213 6.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -11.559 12.705 8.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -13.147 12.146 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -11.833 11.118 8.931 1.00 0.00 H new ATOM 2001 N SER A 124 -13.824 9.418 1.721 1.00 0.00 N ATOM 2002 CA SER A 124 -14.138 10.443 0.729 1.00 0.00 C ATOM 2003 C SER A 124 -15.151 9.899 -0.286 1.00 0.00 C ATOM 2004 O SER A 124 -15.111 8.715 -0.629 1.00 0.00 O ATOM 2005 CB SER A 124 -12.856 10.895 0.017 1.00 0.00 C ATOM 2006 OG SER A 124 -11.914 11.406 0.945 1.00 0.00 O ATOM 0 H SER A 124 -12.937 8.940 1.564 1.00 0.00 H new ATOM 0 HA SER A 124 -14.578 11.303 1.233 1.00 0.00 H new ATOM 0 HB2 SER A 124 -12.420 10.055 -0.524 1.00 0.00 H new ATOM 0 HB3 SER A 124 -13.096 11.660 -0.722 1.00 0.00 H new ATOM 0 HG SER A 124 -11.495 10.664 1.429 1.00 0.00 H new ATOM 2012 N PRO A 125 -16.077 10.755 -0.778 1.00 0.00 N ATOM 2013 CA PRO A 125 -17.093 10.345 -1.759 1.00 0.00 C ATOM 2014 C PRO A 125 -16.461 9.721 -3.002 1.00 0.00 C ATOM 2015 O PRO A 125 -17.060 8.860 -3.645 1.00 0.00 O ATOM 2016 CB PRO A 125 -17.831 11.655 -2.106 1.00 0.00 C ATOM 2017 CG PRO A 125 -16.949 12.750 -1.600 1.00 0.00 C ATOM 2018 CD PRO A 125 -16.211 12.177 -0.420 1.00 0.00 C ATOM 0 HA PRO A 125 -17.760 9.579 -1.363 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -17.991 11.744 -3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -18.813 11.691 -1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -16.254 13.079 -2.372 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -17.536 13.620 -1.308 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -15.240 12.652 -0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -16.767 12.310 0.508 1.00 0.00 H new ATOM 2026 N LEU A 126 -15.240 10.158 -3.314 1.00 0.00 N ATOM 2027 CA LEU A 126 -14.464 9.615 -4.430 1.00 0.00 C ATOM 2028 C LEU A 126 -14.409 8.085 -4.346 1.00 0.00 C ATOM 2029 O LEU A 126 -14.572 7.387 -5.351 1.00 0.00 O ATOM 2030 CB LEU A 126 -13.045 10.227 -4.409 1.00 0.00 C ATOM 2031 CG LEU A 126 -12.113 9.881 -5.597 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -11.004 10.925 -5.727 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -11.493 8.489 -5.439 1.00 0.00 C ATOM 0 H LEU A 126 -14.761 10.898 -2.800 1.00 0.00 H new ATOM 0 HA LEU A 126 -14.945 9.877 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.144 11.311 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -12.553 9.911 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 126 -12.722 9.884 -6.501 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -10.358 10.667 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -11.446 11.906 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -10.416 10.947 -4.810 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -10.845 8.280 -6.291 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -10.907 8.454 -4.520 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -12.285 7.741 -5.393 1.00 0.00 H new ATOM 2045 N TYR A 127 -14.203 7.577 -3.133 1.00 0.00 N ATOM 2046 CA TYR A 127 -14.122 6.137 -2.897 1.00 0.00 C ATOM 2047 C TYR A 127 -15.448 5.457 -3.242 1.00 0.00 C ATOM 2048 O TYR A 127 -15.514 4.606 -4.132 1.00 0.00 O ATOM 2049 CB TYR A 127 -13.744 5.867 -1.432 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.764 4.397 -1.045 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -12.861 3.501 -1.603 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -14.687 3.908 -0.124 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -12.875 2.164 -1.259 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -14.706 2.572 0.225 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.799 1.705 -0.344 1.00 0.00 C ATOM 2056 OH TYR A 127 -13.816 0.374 0.002 1.00 0.00 O ATOM 0 H TYR A 127 -14.088 8.145 -2.294 1.00 0.00 H new ATOM 0 HA TYR A 127 -13.350 5.720 -3.543 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -12.747 6.267 -1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -14.432 6.411 -0.785 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -12.135 3.857 -2.319 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -15.399 4.584 0.325 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -12.166 1.481 -1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -15.429 2.208 0.941 1.00 0.00 H new ATOM 0 HH TYR A 127 -14.526 0.216 0.658 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.508 5.859 -2.546 1.00 0.00 N ATOM 2067 CA ARG A 128 -17.827 5.259 -2.736 1.00 0.00 C ATOM 2068 C ARG A 128 -18.350 5.504 -4.152 1.00 0.00 C ATOM 2069 O ARG A 128 -19.205 4.766 -4.636 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.821 5.799 -1.697 1.00 0.00 C ATOM 2071 CG ARG A 128 -18.547 5.312 -0.273 1.00 0.00 C ATOM 2072 CD ARG A 128 -19.571 5.859 0.718 1.00 0.00 C ATOM 2073 NE ARG A 128 -19.433 5.259 2.049 1.00 0.00 N ATOM 2074 CZ ARG A 128 -20.100 5.666 3.133 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -20.908 6.719 3.078 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -19.944 5.023 4.282 1.00 0.00 N ATOM 0 H ARG A 128 -16.480 6.599 -1.844 1.00 0.00 H new ATOM 0 HA ARG A 128 -17.726 4.183 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.792 6.889 -1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.830 5.504 -1.985 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -18.566 4.222 -0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -17.546 5.620 0.031 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -19.457 6.940 0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -20.576 5.671 0.340 1.00 0.00 H new ATOM 0 HE ARG A 128 -18.784 4.479 2.154 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -21.025 7.227 2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -21.412 7.020 3.913 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -19.317 4.221 4.336 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -20.451 5.331 5.112 1.00 0.00 H new ATOM 2090 N GLU A 129 -17.829 6.533 -4.812 1.00 0.00 N ATOM 2091 CA GLU A 129 -18.224 6.844 -6.183 1.00 0.00 C ATOM 2092 C GLU A 129 -17.742 5.746 -7.132 1.00 0.00 C ATOM 2093 O GLU A 129 -18.385 5.455 -8.140 1.00 0.00 O ATOM 2094 CB GLU A 129 -17.670 8.213 -6.608 1.00 0.00 C ATOM 2095 CG GLU A 129 -18.147 8.684 -7.981 1.00 0.00 C ATOM 2096 CD GLU A 129 -17.718 10.110 -8.296 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -18.403 11.054 -7.844 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -16.705 10.296 -9.002 1.00 0.00 O ATOM 0 H GLU A 129 -17.132 7.166 -4.420 1.00 0.00 H new ATOM 0 HA GLU A 129 -19.312 6.890 -6.231 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -17.956 8.955 -5.863 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -16.581 8.167 -6.611 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -17.755 8.014 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -19.234 8.618 -8.025 1.00 0.00 H new ATOM 2105 N CYS A 130 -16.610 5.131 -6.791 1.00 0.00 N ATOM 2106 CA CYS A 130 -16.075 4.014 -7.564 1.00 0.00 C ATOM 2107 C CYS A 130 -16.904 2.756 -7.309 1.00 0.00 C ATOM 2108 O CYS A 130 -17.313 2.065 -8.243 1.00 0.00 O ATOM 2109 CB CYS A 130 -14.605 3.763 -7.195 1.00 0.00 C ATOM 2110 SG CYS A 130 -13.804 2.469 -8.177 1.00 0.00 S ATOM 0 H CYS A 130 -16.045 5.390 -5.982 1.00 0.00 H new ATOM 0 HA CYS A 130 -16.129 4.265 -8.623 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -14.048 4.692 -7.315 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -14.548 3.491 -6.141 1.00 0.00 H new ATOM 0 HG CYS A 130 -12.842 2.990 -8.880 1.00 0.00 H new