USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=22 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 59 GLN : amide:sc= 0.0142 K(o=-0.74,f=1.6) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.754 K(o=-0.74,f=1.6) USER MOD Set 2.1: A 51 GLN : amide:sc= 0.917 K(o=0.32,f=-1.3) USER MOD Set 2.2: A 106 GLN : amide:sc= -0.602 X(o=0.32,f=-0.092) USER MOD Set 3.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 40 ASN : amide:sc= -1.5 K(o=-1.5,f=-5.5!) USER MOD Set 3.3: A 113 MET CE :methyl -130:sc= -0.0225 (180deg=-0.0322) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.215 USER MOD Single : A 20 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.098) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc=-0.00158 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 69:sc= 1.11 USER MOD Single : A 45 LYS NZ :NH3+ -124:sc=-0.00361 (180deg=-0.919) USER MOD Single : A 47 CYS SG : rot 70:sc= 0.545 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 67 ASN : amide:sc= 0.351 K(o=0.35,f=-7.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.2) USER MOD Single : A 74 SER OG : rot 180:sc= 0.00847 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.89) USER MOD Single : A 79 SER OG : rot 48:sc= 0.359 USER MOD Single : A 82 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 86 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.49) USER MOD Single : A 101 MET CE :methyl 169:sc= -2.88! (180deg=-3.04) USER MOD Single : A 105 GLN : amide:sc= 0.514 K(o=0.51,f=-4.3!) USER MOD Single : A 108 GLN : amide:sc= 0.174 X(o=0.17,f=-0.0084) USER MOD Single : A 111 ASN : amide:sc= -0.0103 K(o=-0.01,f=-0.92) USER MOD Single : A 114 LYS NZ :NH3+ -169:sc= -0.0192 (180deg=-0.194) USER MOD Single : A 117 SER OG : rot -91:sc= -1.25! USER MOD Single : A 118 TYR OH : rot 5:sc= 0.266 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 62:sc= 1.24 USER MOD Single : A 127 TYR OH : rot 37:sc= -0.108 USER MOD Single : A 130 CYS SG : rot 73:sc= 0.827 USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 8 -13.378 -2.600 -5.824 1.00 0.00 N ATOM 107 CA VAL A 8 -12.826 -1.385 -5.210 1.00 0.00 C ATOM 108 C VAL A 8 -13.038 -1.381 -3.692 1.00 0.00 C ATOM 109 O VAL A 8 -12.364 -0.657 -2.957 1.00 0.00 O ATOM 110 CB VAL A 8 -13.440 -0.098 -5.824 1.00 0.00 C ATOM 111 CG1 VAL A 8 -13.207 -0.054 -7.334 1.00 0.00 C ATOM 112 CG2 VAL A 8 -14.929 0.015 -5.495 1.00 0.00 C ATOM 0 HA VAL A 8 -11.756 -1.390 -5.418 1.00 0.00 H new ATOM 0 HB VAL A 8 -12.937 0.760 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.645 0.856 -7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.136 -0.064 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.673 -0.922 -7.800 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.331 0.926 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.457 -0.849 -5.898 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.061 0.049 -4.414 1.00 0.00 H new ATOM 122 N ALA A 9 -13.977 -2.199 -3.227 1.00 0.00 N ATOM 123 CA ALA A 9 -14.272 -2.308 -1.799 1.00 0.00 C ATOM 124 C ALA A 9 -13.090 -2.897 -1.025 1.00 0.00 C ATOM 125 O ALA A 9 -12.982 -2.720 0.189 1.00 0.00 O ATOM 126 CB ALA A 9 -15.522 -3.155 -1.582 1.00 0.00 C ATOM 0 H ALA A 9 -14.550 -2.799 -3.820 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.451 -1.303 -1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.731 -3.229 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.369 -2.690 -2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.361 -4.153 -1.990 1.00 0.00 H new ATOM 132 N SER A 10 -12.196 -3.583 -1.737 1.00 0.00 N ATOM 133 CA SER A 10 -11.055 -4.249 -1.116 1.00 0.00 C ATOM 134 C SER A 10 -10.126 -3.239 -0.441 1.00 0.00 C ATOM 135 O SER A 10 -9.419 -3.571 0.514 1.00 0.00 O ATOM 136 CB SER A 10 -10.281 -5.045 -2.171 1.00 0.00 C ATOM 137 OG SER A 10 -9.857 -4.201 -3.227 1.00 0.00 O ATOM 0 H SER A 10 -12.242 -3.691 -2.750 1.00 0.00 H new ATOM 0 HA SER A 10 -11.432 -4.928 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.416 -5.522 -1.711 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.911 -5.842 -2.567 1.00 0.00 H new ATOM 0 HG SER A 10 -9.363 -4.728 -3.889 1.00 0.00 H new ATOM 143 N TRP A 11 -10.143 -2.008 -0.944 1.00 0.00 N ATOM 144 CA TRP A 11 -9.282 -0.948 -0.429 1.00 0.00 C ATOM 145 C TRP A 11 -9.532 -0.705 1.058 1.00 0.00 C ATOM 146 O TRP A 11 -8.596 -0.541 1.837 1.00 0.00 O ATOM 147 CB TRP A 11 -9.523 0.353 -1.200 1.00 0.00 C ATOM 148 CG TRP A 11 -9.345 0.238 -2.686 1.00 0.00 C ATOM 149 CD1 TRP A 11 -8.671 -0.733 -3.374 1.00 0.00 C ATOM 150 CD2 TRP A 11 -9.849 1.147 -3.670 1.00 0.00 C ATOM 151 NE1 TRP A 11 -8.737 -0.485 -4.724 1.00 0.00 N ATOM 152 CE2 TRP A 11 -9.456 0.664 -4.928 1.00 0.00 C ATOM 153 CE3 TRP A 11 -10.599 2.323 -3.601 1.00 0.00 C ATOM 154 CZ2 TRP A 11 -9.791 1.316 -6.112 1.00 0.00 C ATOM 155 CZ3 TRP A 11 -10.930 2.971 -4.775 1.00 0.00 C ATOM 156 CH2 TRP A 11 -10.525 2.467 -6.017 1.00 0.00 C ATOM 0 H TRP A 11 -10.748 -1.719 -1.713 1.00 0.00 H new ATOM 0 HA TRP A 11 -8.249 -1.268 -0.562 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -10.535 0.700 -0.994 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -8.841 1.115 -0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -8.162 -1.572 -2.923 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.319 -1.061 -5.455 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.915 2.719 -2.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -9.482 0.927 -7.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -11.510 3.881 -4.734 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -10.797 2.997 -6.918 1.00 0.00 H new ATOM 167 N ALA A 12 -10.808 -0.709 1.442 1.00 0.00 N ATOM 168 CA ALA A 12 -11.211 -0.384 2.811 1.00 0.00 C ATOM 169 C ALA A 12 -10.850 -1.503 3.787 1.00 0.00 C ATOM 170 O ALA A 12 -11.044 -1.368 5.001 1.00 0.00 O ATOM 171 CB ALA A 12 -12.706 -0.091 2.858 1.00 0.00 C ATOM 0 H ALA A 12 -11.585 -0.935 0.821 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.663 0.506 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -12.998 0.150 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.932 0.754 2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -13.259 -0.967 2.520 1.00 0.00 H new ATOM 177 N LEU A 13 -10.333 -2.608 3.259 1.00 0.00 N ATOM 178 CA LEU A 13 -9.923 -3.734 4.090 1.00 0.00 C ATOM 179 C LEU A 13 -8.552 -3.473 4.709 1.00 0.00 C ATOM 180 O LEU A 13 -8.365 -3.652 5.917 1.00 0.00 O ATOM 181 CB LEU A 13 -9.892 -5.034 3.269 1.00 0.00 C ATOM 182 CG LEU A 13 -11.240 -5.464 2.663 1.00 0.00 C ATOM 183 CD1 LEU A 13 -11.084 -6.749 1.852 1.00 0.00 C ATOM 184 CD2 LEU A 13 -12.296 -5.638 3.754 1.00 0.00 C ATOM 0 H LEU A 13 -10.188 -2.747 2.259 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.654 -3.846 4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.170 -4.916 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.527 -5.838 3.907 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.575 -4.675 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -12.049 -7.034 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.372 -6.585 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.720 -7.546 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.240 -5.942 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.969 -6.402 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.434 -4.694 4.281 1.00 0.00 H new ATOM 196 N SER A 14 -7.603 -3.034 3.882 1.00 0.00 N ATOM 197 CA SER A 14 -6.226 -2.820 4.323 1.00 0.00 C ATOM 198 C SER A 14 -5.502 -1.847 3.390 1.00 0.00 C ATOM 199 O SER A 14 -5.655 -1.918 2.164 1.00 0.00 O ATOM 200 CB SER A 14 -5.469 -4.155 4.364 1.00 0.00 C ATOM 201 OG SER A 14 -6.127 -5.099 5.193 1.00 0.00 O ATOM 0 H SER A 14 -7.765 -2.819 2.898 1.00 0.00 H new ATOM 0 HA SER A 14 -6.253 -2.390 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 14 -5.380 -4.555 3.354 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.456 -3.989 4.732 1.00 0.00 H new ATOM 0 HG SER A 14 -5.622 -5.939 5.197 1.00 0.00 H new ATOM 207 N PHE A 15 -4.698 -0.957 3.974 1.00 0.00 N ATOM 208 CA PHE A 15 -3.915 0.008 3.202 1.00 0.00 C ATOM 209 C PHE A 15 -3.033 -0.717 2.191 1.00 0.00 C ATOM 210 O PHE A 15 -2.892 -0.280 1.056 1.00 0.00 O ATOM 211 CB PHE A 15 -3.056 0.878 4.134 1.00 0.00 C ATOM 212 CG PHE A 15 -2.247 1.944 3.424 1.00 0.00 C ATOM 213 CD1 PHE A 15 -2.788 2.662 2.364 1.00 0.00 C ATOM 214 CD2 PHE A 15 -0.949 2.232 3.823 1.00 0.00 C ATOM 215 CE1 PHE A 15 -2.053 3.639 1.721 1.00 0.00 C ATOM 216 CE2 PHE A 15 -0.211 3.210 3.182 1.00 0.00 C ATOM 217 CZ PHE A 15 -0.764 3.914 2.131 1.00 0.00 C ATOM 0 H PHE A 15 -4.572 -0.885 4.984 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.604 0.659 2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.707 1.359 4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.376 0.232 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.796 2.453 2.039 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.510 1.685 4.644 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.487 4.187 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.798 3.423 3.503 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.189 4.679 1.630 1.00 0.00 H new ATOM 227 N GLU A 16 -2.455 -1.833 2.620 1.00 0.00 N ATOM 228 CA GLU A 16 -1.645 -2.687 1.755 1.00 0.00 C ATOM 229 C GLU A 16 -2.406 -3.060 0.481 1.00 0.00 C ATOM 230 O GLU A 16 -1.859 -3.011 -0.621 1.00 0.00 O ATOM 231 CB GLU A 16 -1.246 -3.961 2.515 1.00 0.00 C ATOM 232 CG GLU A 16 -0.428 -4.952 1.693 1.00 0.00 C ATOM 233 CD GLU A 16 -0.139 -6.237 2.451 1.00 0.00 C ATOM 234 OE1 GLU A 16 -1.042 -7.099 2.533 1.00 0.00 O ATOM 235 OE2 GLU A 16 0.985 -6.388 2.980 1.00 0.00 O ATOM 0 H GLU A 16 -2.534 -2.173 3.578 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.750 -2.135 1.468 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.673 -3.679 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.150 -4.458 2.867 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.966 -5.189 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.513 -4.487 1.400 1.00 0.00 H new ATOM 242 N ARG A 17 -3.681 -3.400 0.643 1.00 0.00 N ATOM 243 CA ARG A 17 -4.489 -3.914 -0.459 1.00 0.00 C ATOM 244 C ARG A 17 -4.923 -2.785 -1.398 1.00 0.00 C ATOM 245 O ARG A 17 -5.319 -3.034 -2.535 1.00 0.00 O ATOM 246 CB ARG A 17 -5.705 -4.673 0.090 1.00 0.00 C ATOM 247 CG ARG A 17 -6.372 -5.593 -0.931 1.00 0.00 C ATOM 248 CD ARG A 17 -7.406 -6.503 -0.279 1.00 0.00 C ATOM 249 NE ARG A 17 -7.897 -7.525 -1.206 1.00 0.00 N ATOM 250 CZ ARG A 17 -8.369 -8.717 -0.830 1.00 0.00 C ATOM 251 NH1 ARG A 17 -8.379 -9.059 0.455 1.00 0.00 N ATOM 252 NH2 ARG A 17 -8.801 -9.581 -1.744 1.00 0.00 N ATOM 0 H ARG A 17 -4.179 -3.329 1.530 1.00 0.00 H new ATOM 0 HA ARG A 17 -3.881 -4.607 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.393 -5.266 0.950 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.439 -3.952 0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.852 -4.992 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -5.613 -6.200 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.966 -6.986 0.593 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.244 -5.904 0.077 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.877 -7.313 -2.204 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.025 -8.410 1.158 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.740 -9.970 0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.772 -9.334 -2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.161 -10.491 -1.456 1.00 0.00 H new ATOM 266 N LEU A 18 -4.863 -1.550 -0.903 1.00 0.00 N ATOM 267 CA LEU A 18 -5.103 -0.364 -1.735 1.00 0.00 C ATOM 268 C LEU A 18 -3.799 0.107 -2.378 1.00 0.00 C ATOM 269 O LEU A 18 -3.762 0.485 -3.549 1.00 0.00 O ATOM 270 CB LEU A 18 -5.732 0.768 -0.883 1.00 0.00 C ATOM 271 CG LEU A 18 -5.784 2.177 -1.534 1.00 0.00 C ATOM 272 CD1 LEU A 18 -6.972 2.981 -1.012 1.00 0.00 C ATOM 273 CD2 LEU A 18 -4.491 2.955 -1.276 1.00 0.00 C ATOM 0 H LEU A 18 -4.650 -1.341 0.072 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.801 -0.628 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.749 0.474 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.174 0.843 0.050 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.899 2.030 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.983 3.963 -1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.898 2.455 -1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.885 3.100 0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.558 3.937 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.346 3.074 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.647 2.409 -1.698 1.00 0.00 H new ATOM 285 N LEU A 19 -2.729 0.058 -1.597 1.00 0.00 N ATOM 286 CA LEU A 19 -1.443 0.634 -1.978 1.00 0.00 C ATOM 287 C LEU A 19 -0.711 -0.253 -2.984 1.00 0.00 C ATOM 288 O LEU A 19 0.078 0.230 -3.797 1.00 0.00 O ATOM 289 CB LEU A 19 -0.591 0.846 -0.716 1.00 0.00 C ATOM 290 CG LEU A 19 0.773 1.514 -0.933 1.00 0.00 C ATOM 291 CD1 LEU A 19 0.617 2.869 -1.622 1.00 0.00 C ATOM 292 CD2 LEU A 19 1.510 1.671 0.394 1.00 0.00 C ATOM 0 H LEU A 19 -2.726 -0.384 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.618 1.594 -2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.163 1.451 -0.013 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.428 -0.123 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 19 1.364 0.870 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.599 3.320 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.138 2.731 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.003 3.523 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.475 2.147 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.917 2.289 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.665 0.690 0.843 1.00 0.00 H new ATOM 304 N GLN A 20 -0.968 -1.551 -2.923 1.00 0.00 N ATOM 305 CA GLN A 20 -0.361 -2.496 -3.858 1.00 0.00 C ATOM 306 C GLN A 20 -1.301 -2.740 -5.046 1.00 0.00 C ATOM 307 O GLN A 20 -0.961 -3.453 -5.992 1.00 0.00 O ATOM 308 CB GLN A 20 -0.017 -3.805 -3.130 1.00 0.00 C ATOM 309 CG GLN A 20 0.840 -4.773 -3.946 1.00 0.00 C ATOM 310 CD GLN A 20 1.438 -5.893 -3.103 1.00 0.00 C ATOM 311 OE1 GLN A 20 1.636 -7.009 -3.579 1.00 0.00 O ATOM 312 NE2 GLN A 20 1.753 -5.591 -1.848 1.00 0.00 N ATOM 0 H GLN A 20 -1.592 -1.977 -2.238 1.00 0.00 H new ATOM 0 HA GLN A 20 0.566 -2.076 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.507 -3.565 -2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.944 -4.306 -2.851 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.232 -5.208 -4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.645 -4.219 -4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.573 -4.653 -1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.174 -6.297 -1.244 1.00 0.00 H new ATOM 321 N ASP A 21 -2.477 -2.117 -4.995 1.00 0.00 N ATOM 322 CA ASP A 21 -3.468 -2.222 -6.068 1.00 0.00 C ATOM 323 C ASP A 21 -3.324 -1.039 -7.027 1.00 0.00 C ATOM 324 O ASP A 21 -3.342 0.116 -6.600 1.00 0.00 O ATOM 325 CB ASP A 21 -4.885 -2.260 -5.479 1.00 0.00 C ATOM 326 CG ASP A 21 -5.968 -2.399 -6.541 1.00 0.00 C ATOM 327 OD1 ASP A 21 -6.021 -3.455 -7.204 1.00 0.00 O ATOM 328 OD2 ASP A 21 -6.781 -1.467 -6.696 1.00 0.00 O ATOM 0 H ASP A 21 -2.770 -1.529 -4.215 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.296 -3.146 -6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.960 -3.093 -4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.059 -1.348 -4.907 1.00 0.00 H new ATOM 333 N PRO A 22 -3.166 -1.307 -8.338 1.00 0.00 N ATOM 334 CA PRO A 22 -2.939 -0.253 -9.338 1.00 0.00 C ATOM 335 C PRO A 22 -4.138 0.683 -9.493 1.00 0.00 C ATOM 336 O PRO A 22 -3.977 1.870 -9.782 1.00 0.00 O ATOM 337 CB PRO A 22 -2.684 -1.038 -10.637 1.00 0.00 C ATOM 338 CG PRO A 22 -3.338 -2.361 -10.418 1.00 0.00 C ATOM 339 CD PRO A 22 -3.193 -2.652 -8.949 1.00 0.00 C ATOM 0 HA PRO A 22 -2.115 0.402 -9.055 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.109 -0.525 -11.499 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.617 -1.151 -10.828 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.388 -2.331 -10.709 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.863 -3.136 -11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.024 -3.248 -8.573 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -2.280 -3.209 -8.737 1.00 0.00 H new ATOM 347 N LEU A 23 -5.337 0.148 -9.291 1.00 0.00 N ATOM 348 CA LEU A 23 -6.563 0.930 -9.419 1.00 0.00 C ATOM 349 C LEU A 23 -6.687 1.860 -8.207 1.00 0.00 C ATOM 350 O LEU A 23 -6.928 3.069 -8.341 1.00 0.00 O ATOM 351 CB LEU A 23 -7.776 -0.021 -9.528 1.00 0.00 C ATOM 352 CG LEU A 23 -8.987 0.498 -10.336 1.00 0.00 C ATOM 353 CD1 LEU A 23 -10.006 -0.622 -10.554 1.00 0.00 C ATOM 354 CD2 LEU A 23 -9.650 1.685 -9.646 1.00 0.00 C ATOM 0 H LEU A 23 -5.487 -0.828 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.534 1.539 -10.323 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.439 -0.954 -9.980 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.115 -0.259 -8.520 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.618 0.835 -11.305 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.852 -0.238 -11.125 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.538 -1.438 -11.104 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.356 -0.989 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.498 2.025 -10.241 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.998 1.384 -8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.929 2.496 -9.545 1.00 0.00 H new ATOM 366 N GLY A 24 -6.475 1.281 -7.031 1.00 0.00 N ATOM 367 CA GLY A 24 -6.538 2.024 -5.790 1.00 0.00 C ATOM 368 C GLY A 24 -5.520 3.133 -5.735 1.00 0.00 C ATOM 369 O GLY A 24 -5.873 4.299 -5.550 1.00 0.00 O ATOM 0 H GLY A 24 -6.257 0.291 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.537 2.444 -5.671 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.377 1.344 -4.953 1.00 0.00 H new ATOM 373 N LEU A 25 -4.256 2.771 -5.921 1.00 0.00 N ATOM 374 CA LEU A 25 -3.164 3.733 -5.864 1.00 0.00 C ATOM 375 C LEU A 25 -3.353 4.808 -6.939 1.00 0.00 C ATOM 376 O LEU A 25 -2.946 5.949 -6.751 1.00 0.00 O ATOM 377 CB LEU A 25 -1.803 3.023 -6.030 1.00 0.00 C ATOM 378 CG LEU A 25 -0.642 3.589 -5.180 1.00 0.00 C ATOM 379 CD1 LEU A 25 0.634 2.790 -5.412 1.00 0.00 C ATOM 380 CD2 LEU A 25 -0.398 5.068 -5.467 1.00 0.00 C ATOM 0 H LEU A 25 -3.962 1.813 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.174 4.215 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.931 1.970 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.516 3.069 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.932 3.497 -4.133 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.438 3.205 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.468 1.750 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.910 2.843 -6.465 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.425 5.427 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.146 5.198 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.299 5.637 -5.237 1.00 0.00 H new ATOM 392 N ALA A 26 -3.986 4.443 -8.055 1.00 0.00 N ATOM 393 CA ALA A 26 -4.256 5.397 -9.135 1.00 0.00 C ATOM 394 C ALA A 26 -5.059 6.592 -8.621 1.00 0.00 C ATOM 395 O ALA A 26 -4.627 7.743 -8.728 1.00 0.00 O ATOM 396 CB ALA A 26 -4.995 4.715 -10.281 1.00 0.00 C ATOM 0 H ALA A 26 -4.321 3.497 -8.236 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.299 5.763 -9.507 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.186 5.439 -11.073 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.386 3.901 -10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.942 4.317 -9.917 1.00 0.00 H new ATOM 402 N TYR A 27 -6.224 6.320 -8.042 1.00 0.00 N ATOM 403 CA TYR A 27 -7.080 7.391 -7.532 1.00 0.00 C ATOM 404 C TYR A 27 -6.517 7.950 -6.224 1.00 0.00 C ATOM 405 O TYR A 27 -6.647 9.142 -5.935 1.00 0.00 O ATOM 406 CB TYR A 27 -8.519 6.890 -7.345 1.00 0.00 C ATOM 407 CG TYR A 27 -9.205 6.536 -8.656 1.00 0.00 C ATOM 408 CD1 TYR A 27 -9.072 5.269 -9.216 1.00 0.00 C ATOM 409 CD2 TYR A 27 -9.977 7.470 -9.338 1.00 0.00 C ATOM 410 CE1 TYR A 27 -9.687 4.947 -10.411 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.596 7.152 -10.534 1.00 0.00 C ATOM 412 CZ TYR A 27 -10.448 5.889 -11.063 1.00 0.00 C ATOM 413 OH TYR A 27 -11.060 5.567 -12.254 1.00 0.00 O ATOM 0 H TYR A 27 -6.596 5.379 -7.914 1.00 0.00 H new ATOM 0 HA TYR A 27 -7.098 8.199 -8.264 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.510 6.013 -6.698 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.100 7.657 -6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.478 4.524 -8.708 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.096 8.462 -8.927 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -9.570 3.959 -10.831 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.192 7.890 -11.050 1.00 0.00 H new ATOM 0 HH TYR A 27 -11.560 6.342 -12.585 1.00 0.00 H new ATOM 423 N PHE A 28 -5.864 7.087 -5.457 1.00 0.00 N ATOM 424 CA PHE A 28 -5.237 7.486 -4.203 1.00 0.00 C ATOM 425 C PHE A 28 -4.170 8.550 -4.458 1.00 0.00 C ATOM 426 O PHE A 28 -4.117 9.571 -3.768 1.00 0.00 O ATOM 427 CB PHE A 28 -4.619 6.262 -3.515 1.00 0.00 C ATOM 428 CG PHE A 28 -3.973 6.554 -2.182 1.00 0.00 C ATOM 429 CD1 PHE A 28 -4.749 6.752 -1.049 1.00 0.00 C ATOM 430 CD2 PHE A 28 -2.591 6.621 -2.060 1.00 0.00 C ATOM 431 CE1 PHE A 28 -4.162 7.011 0.174 1.00 0.00 C ATOM 432 CE2 PHE A 28 -2.001 6.880 -0.839 1.00 0.00 C ATOM 433 CZ PHE A 28 -2.788 7.075 0.279 1.00 0.00 C ATOM 0 H PHE A 28 -5.754 6.099 -5.683 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.997 7.911 -3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.396 5.511 -3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.872 5.826 -4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.825 6.703 -1.124 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.971 6.469 -2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.778 7.163 1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.925 6.930 -0.758 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.328 7.277 1.235 1.00 0.00 H new ATOM 443 N THR A 29 -3.337 8.319 -5.471 1.00 0.00 N ATOM 444 CA THR A 29 -2.261 9.243 -5.796 1.00 0.00 C ATOM 445 C THR A 29 -2.819 10.494 -6.469 1.00 0.00 C ATOM 446 O THR A 29 -2.182 11.544 -6.448 1.00 0.00 O ATOM 447 CB THR A 29 -1.171 8.598 -6.694 1.00 0.00 C ATOM 448 OG1 THR A 29 -0.016 9.446 -6.747 1.00 0.00 O ATOM 449 CG2 THR A 29 -1.678 8.357 -8.112 1.00 0.00 C ATOM 0 H THR A 29 -3.389 7.501 -6.078 1.00 0.00 H new ATOM 0 HA THR A 29 -1.784 9.516 -4.855 1.00 0.00 H new ATOM 0 HB THR A 29 -0.911 7.635 -6.254 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.668 9.032 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.886 7.905 -8.709 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.538 7.688 -8.082 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.973 9.306 -8.559 1.00 0.00 H new ATOM 457 N GLU A 30 -4.007 10.381 -7.073 1.00 0.00 N ATOM 458 CA GLU A 30 -4.682 11.550 -7.627 1.00 0.00 C ATOM 459 C GLU A 30 -4.839 12.609 -6.536 1.00 0.00 C ATOM 460 O GLU A 30 -4.267 13.696 -6.627 1.00 0.00 O ATOM 461 CB GLU A 30 -6.054 11.182 -8.213 1.00 0.00 C ATOM 462 CG GLU A 30 -6.790 12.373 -8.818 1.00 0.00 C ATOM 463 CD GLU A 30 -8.141 12.009 -9.410 1.00 0.00 C ATOM 464 OE1 GLU A 30 -8.178 11.523 -10.563 1.00 0.00 O ATOM 465 OE2 GLU A 30 -9.172 12.235 -8.744 1.00 0.00 O ATOM 0 H GLU A 30 -4.512 9.502 -7.188 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.074 11.947 -8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.921 10.418 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.671 10.743 -7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.931 13.132 -8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.169 12.818 -9.595 1.00 0.00 H new ATOM 472 N PHE A 31 -5.585 12.261 -5.486 1.00 0.00 N ATOM 473 CA PHE A 31 -5.761 13.153 -4.336 1.00 0.00 C ATOM 474 C PHE A 31 -4.406 13.500 -3.717 1.00 0.00 C ATOM 475 O PHE A 31 -4.078 14.669 -3.511 1.00 0.00 O ATOM 476 CB PHE A 31 -6.652 12.497 -3.268 1.00 0.00 C ATOM 477 CG PHE A 31 -8.089 12.291 -3.685 1.00 0.00 C ATOM 478 CD1 PHE A 31 -8.431 11.293 -4.585 1.00 0.00 C ATOM 479 CD2 PHE A 31 -9.101 13.092 -3.167 1.00 0.00 C ATOM 480 CE1 PHE A 31 -9.746 11.098 -4.960 1.00 0.00 C ATOM 481 CE2 PHE A 31 -10.418 12.899 -3.539 1.00 0.00 C ATOM 482 CZ PHE A 31 -10.741 11.900 -4.437 1.00 0.00 C ATOM 0 H PHE A 31 -6.076 11.371 -5.407 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.242 14.064 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.224 11.531 -3.000 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.633 13.114 -2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.659 10.660 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.855 13.875 -2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -9.996 10.317 -5.663 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -11.194 13.528 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 31 -11.769 11.747 -4.729 1.00 0.00 H new ATOM 492 N LEU A 32 -3.613 12.462 -3.458 1.00 0.00 N ATOM 493 CA LEU A 32 -2.340 12.596 -2.751 1.00 0.00 C ATOM 494 C LEU A 32 -1.350 13.498 -3.502 1.00 0.00 C ATOM 495 O LEU A 32 -0.467 14.101 -2.890 1.00 0.00 O ATOM 496 CB LEU A 32 -1.731 11.203 -2.522 1.00 0.00 C ATOM 497 CG LEU A 32 -0.426 11.164 -1.711 1.00 0.00 C ATOM 498 CD1 LEU A 32 -0.626 11.752 -0.318 1.00 0.00 C ATOM 499 CD2 LEU A 32 0.101 9.736 -1.619 1.00 0.00 C ATOM 0 H LEU A 32 -3.834 11.505 -3.732 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.538 13.074 -1.792 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.470 10.584 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.546 10.745 -3.494 1.00 0.00 H new ATOM 0 HG LEU A 32 0.312 11.775 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.314 11.711 0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.951 12.789 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.384 11.177 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.025 9.726 -1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.640 9.105 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.295 9.355 -2.621 1.00 0.00 H new ATOM 511 N LYS A 33 -1.488 13.595 -4.822 1.00 0.00 N ATOM 512 CA LYS A 33 -0.573 14.420 -5.613 1.00 0.00 C ATOM 513 C LYS A 33 -1.145 15.821 -5.827 1.00 0.00 C ATOM 514 O LYS A 33 -0.416 16.745 -6.181 1.00 0.00 O ATOM 515 CB LYS A 33 -0.234 13.744 -6.953 1.00 0.00 C ATOM 516 CG LYS A 33 0.954 14.381 -7.680 1.00 0.00 C ATOM 517 CD LYS A 33 1.614 13.406 -8.656 1.00 0.00 C ATOM 518 CE LYS A 33 2.871 13.999 -9.288 1.00 0.00 C ATOM 519 NZ LYS A 33 3.671 12.969 -10.006 1.00 0.00 N ATOM 0 H LYS A 33 -2.212 13.121 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 33 0.356 14.523 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.017 12.691 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.109 13.783 -7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.617 15.265 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.690 14.717 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.871 12.485 -8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.904 13.140 -9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.589 14.789 -9.984 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.484 14.460 -8.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.516 13.412 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.962 12.227 -9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.095 12.547 -10.762 1.00 0.00 H new ATOM 533 N LYS A 34 -2.444 15.987 -5.586 1.00 0.00 N ATOM 534 CA LYS A 34 -3.058 17.315 -5.620 1.00 0.00 C ATOM 535 C LYS A 34 -2.576 18.142 -4.428 1.00 0.00 C ATOM 536 O LYS A 34 -2.507 19.372 -4.490 1.00 0.00 O ATOM 537 CB LYS A 34 -4.590 17.217 -5.622 1.00 0.00 C ATOM 538 CG LYS A 34 -5.164 16.622 -6.905 1.00 0.00 C ATOM 539 CD LYS A 34 -6.691 16.591 -6.889 1.00 0.00 C ATOM 540 CE LYS A 34 -7.259 15.991 -8.171 1.00 0.00 C ATOM 541 NZ LYS A 34 -8.745 16.062 -8.209 1.00 0.00 N ATOM 0 H LYS A 34 -3.088 15.227 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.755 17.810 -6.543 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.908 16.608 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.009 18.212 -5.474 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.822 17.206 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.782 15.610 -7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.034 16.010 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.074 17.604 -6.761 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.849 16.520 -9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.943 14.951 -8.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.090 15.644 -9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.138 15.536 -7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.047 17.056 -8.155 1.00 0.00 H new ATOM 555 N GLU A 35 -2.250 17.448 -3.340 1.00 0.00 N ATOM 556 CA GLU A 35 -1.633 18.069 -2.167 1.00 0.00 C ATOM 557 C GLU A 35 -0.112 17.892 -2.219 1.00 0.00 C ATOM 558 O GLU A 35 0.608 18.297 -1.305 1.00 0.00 O ATOM 559 CB GLU A 35 -2.223 17.469 -0.880 1.00 0.00 C ATOM 560 CG GLU A 35 -2.235 15.941 -0.845 1.00 0.00 C ATOM 561 CD GLU A 35 -3.075 15.388 0.298 1.00 0.00 C ATOM 562 OE1 GLU A 35 -4.291 15.677 0.338 1.00 0.00 O ATOM 563 OE2 GLU A 35 -2.529 14.683 1.176 1.00 0.00 O ATOM 0 H GLU A 35 -2.404 16.444 -3.245 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.848 19.138 -2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.652 17.836 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.244 17.831 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.622 15.563 -1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.213 15.575 -0.750 1.00 0.00 H new ATOM 570 N PHE A 36 0.346 17.291 -3.320 1.00 0.00 N ATOM 571 CA PHE A 36 1.761 17.047 -3.589 1.00 0.00 C ATOM 572 C PHE A 36 2.436 16.346 -2.412 1.00 0.00 C ATOM 573 O PHE A 36 3.210 16.949 -1.662 1.00 0.00 O ATOM 574 CB PHE A 36 2.497 18.348 -3.954 1.00 0.00 C ATOM 575 CG PHE A 36 3.836 18.114 -4.616 1.00 0.00 C ATOM 576 CD1 PHE A 36 3.907 17.791 -5.964 1.00 0.00 C ATOM 577 CD2 PHE A 36 5.020 18.206 -3.895 1.00 0.00 C ATOM 578 CE1 PHE A 36 5.123 17.566 -6.577 1.00 0.00 C ATOM 579 CE2 PHE A 36 6.241 17.982 -4.506 1.00 0.00 C ATOM 580 CZ PHE A 36 6.291 17.661 -5.847 1.00 0.00 C ATOM 0 H PHE A 36 -0.269 16.955 -4.061 1.00 0.00 H new ATOM 0 HA PHE A 36 1.819 16.382 -4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.868 18.938 -4.621 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.645 18.939 -3.050 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.998 17.715 -6.542 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.987 18.455 -2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.161 17.316 -7.627 1.00 0.00 H new ATOM 0 HE2 PHE A 36 7.154 18.058 -3.934 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.243 17.484 -6.325 1.00 0.00 H new ATOM 590 N SER A 37 2.079 15.086 -2.225 1.00 0.00 N ATOM 591 CA SER A 37 2.719 14.235 -1.232 1.00 0.00 C ATOM 592 C SER A 37 2.881 12.822 -1.794 1.00 0.00 C ATOM 593 O SER A 37 3.349 11.914 -1.109 1.00 0.00 O ATOM 594 CB SER A 37 1.888 14.219 0.061 1.00 0.00 C ATOM 595 OG SER A 37 2.530 13.482 1.091 1.00 0.00 O ATOM 0 H SER A 37 1.340 14.624 -2.755 1.00 0.00 H new ATOM 0 HA SER A 37 3.707 14.630 -0.997 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.719 15.242 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.909 13.784 -0.141 1.00 0.00 H new ATOM 0 HG SER A 37 1.974 13.495 1.898 1.00 0.00 H new ATOM 601 N ALA A 38 2.542 12.657 -3.076 1.00 0.00 N ATOM 602 CA ALA A 38 2.563 11.346 -3.733 1.00 0.00 C ATOM 603 C ALA A 38 3.971 10.756 -3.750 1.00 0.00 C ATOM 604 O ALA A 38 4.167 9.579 -4.057 1.00 0.00 O ATOM 605 CB ALA A 38 2.018 11.457 -5.152 1.00 0.00 C ATOM 0 H ALA A 38 2.247 13.421 -3.684 1.00 0.00 H new ATOM 0 HA ALA A 38 1.925 10.673 -3.160 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.039 10.477 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.992 11.822 -5.120 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.633 12.152 -5.725 1.00 0.00 H new ATOM 611 N GLU A 39 4.943 11.580 -3.401 1.00 0.00 N ATOM 612 CA GLU A 39 6.342 11.184 -3.409 1.00 0.00 C ATOM 613 C GLU A 39 6.597 10.084 -2.378 1.00 0.00 C ATOM 614 O GLU A 39 7.479 9.243 -2.563 1.00 0.00 O ATOM 615 CB GLU A 39 7.241 12.403 -3.137 1.00 0.00 C ATOM 616 CG GLU A 39 7.166 13.492 -4.214 1.00 0.00 C ATOM 617 CD GLU A 39 5.763 14.063 -4.392 1.00 0.00 C ATOM 618 OE1 GLU A 39 5.282 14.757 -3.472 1.00 0.00 O ATOM 619 OE2 GLU A 39 5.123 13.784 -5.432 1.00 0.00 O ATOM 0 H GLU A 39 4.786 12.543 -3.104 1.00 0.00 H new ATOM 0 HA GLU A 39 6.585 10.787 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.964 12.838 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.274 12.066 -3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.850 14.300 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.507 13.079 -5.164 1.00 0.00 H new ATOM 626 N ASN A 40 5.800 10.070 -1.305 1.00 0.00 N ATOM 627 CA ASN A 40 5.975 9.073 -0.247 1.00 0.00 C ATOM 628 C ASN A 40 5.613 7.679 -0.764 1.00 0.00 C ATOM 629 O ASN A 40 6.351 6.716 -0.540 1.00 0.00 O ATOM 630 CB ASN A 40 5.153 9.418 1.015 1.00 0.00 C ATOM 631 CG ASN A 40 3.670 9.082 0.901 1.00 0.00 C ATOM 632 OD1 ASN A 40 3.259 7.950 1.144 1.00 0.00 O ATOM 633 ND2 ASN A 40 2.851 10.067 0.577 1.00 0.00 N ATOM 0 H ASN A 40 5.037 10.729 -1.148 1.00 0.00 H new ATOM 0 HA ASN A 40 7.026 9.081 0.041 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.572 8.882 1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.259 10.482 1.225 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.847 9.898 0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.223 10.996 0.381 1.00 0.00 H new ATOM 640 N VAL A 41 4.492 7.574 -1.482 1.00 0.00 N ATOM 641 CA VAL A 41 4.075 6.291 -2.042 1.00 0.00 C ATOM 642 C VAL A 41 4.973 5.910 -3.213 1.00 0.00 C ATOM 643 O VAL A 41 5.177 4.733 -3.486 1.00 0.00 O ATOM 644 CB VAL A 41 2.587 6.281 -2.490 1.00 0.00 C ATOM 645 CG1 VAL A 41 1.665 6.549 -1.304 1.00 0.00 C ATOM 646 CG2 VAL A 41 2.334 7.283 -3.615 1.00 0.00 C ATOM 0 H VAL A 41 3.865 8.352 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 41 4.173 5.554 -1.245 1.00 0.00 H new ATOM 0 HB VAL A 41 2.365 5.288 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.628 6.538 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.810 5.777 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.897 7.524 -0.876 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.283 7.249 -3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.584 8.287 -3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.954 7.029 -4.475 1.00 0.00 H new ATOM 656 N THR A 42 5.525 6.918 -3.889 1.00 0.00 N ATOM 657 CA THR A 42 6.498 6.679 -4.950 1.00 0.00 C ATOM 658 C THR A 42 7.743 6.010 -4.359 1.00 0.00 C ATOM 659 O THR A 42 8.290 5.064 -4.933 1.00 0.00 O ATOM 660 CB THR A 42 6.892 7.996 -5.664 1.00 0.00 C ATOM 661 OG1 THR A 42 5.719 8.641 -6.180 1.00 0.00 O ATOM 662 CG2 THR A 42 7.873 7.738 -6.806 1.00 0.00 C ATOM 0 H THR A 42 5.315 7.902 -3.721 1.00 0.00 H new ATOM 0 HA THR A 42 6.043 6.022 -5.691 1.00 0.00 H new ATOM 0 HB THR A 42 7.379 8.641 -4.932 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.172 8.969 -5.436 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.129 8.682 -7.286 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.777 7.275 -6.411 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.414 7.072 -7.537 1.00 0.00 H new ATOM 670 N PHE A 43 8.164 6.500 -3.193 1.00 0.00 N ATOM 671 CA PHE A 43 9.270 5.901 -2.451 1.00 0.00 C ATOM 672 C PHE A 43 8.938 4.456 -2.074 1.00 0.00 C ATOM 673 O PHE A 43 9.771 3.558 -2.228 1.00 0.00 O ATOM 674 CB PHE A 43 9.575 6.729 -1.192 1.00 0.00 C ATOM 675 CG PHE A 43 10.616 6.110 -0.287 1.00 0.00 C ATOM 676 CD1 PHE A 43 11.959 6.117 -0.642 1.00 0.00 C ATOM 677 CD2 PHE A 43 10.249 5.519 0.916 1.00 0.00 C ATOM 678 CE1 PHE A 43 12.910 5.548 0.184 1.00 0.00 C ATOM 679 CE2 PHE A 43 11.199 4.950 1.744 1.00 0.00 C ATOM 680 CZ PHE A 43 12.530 4.964 1.377 1.00 0.00 C ATOM 0 H PHE A 43 7.752 7.316 -2.741 1.00 0.00 H new ATOM 0 HA PHE A 43 10.155 5.896 -3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.914 7.720 -1.494 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.653 6.866 -0.627 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.263 6.572 -1.573 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.209 5.504 1.208 1.00 0.00 H new ATOM 0 HE1 PHE A 43 13.951 5.560 -0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.900 4.495 2.677 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.273 4.519 2.022 1.00 0.00 H new ATOM 690 N TRP A 44 7.716 4.238 -1.587 1.00 0.00 N ATOM 691 CA TRP A 44 7.269 2.897 -1.213 1.00 0.00 C ATOM 692 C TRP A 44 7.304 1.967 -2.426 1.00 0.00 C ATOM 693 O TRP A 44 7.803 0.846 -2.341 1.00 0.00 O ATOM 694 CB TRP A 44 5.852 2.938 -0.612 1.00 0.00 C ATOM 695 CG TRP A 44 5.374 1.599 -0.113 1.00 0.00 C ATOM 696 CD1 TRP A 44 5.554 1.075 1.136 1.00 0.00 C ATOM 697 CD2 TRP A 44 4.637 0.613 -0.854 1.00 0.00 C ATOM 698 NE1 TRP A 44 4.990 -0.176 1.211 1.00 0.00 N ATOM 699 CE2 TRP A 44 4.419 -0.480 0.006 1.00 0.00 C ATOM 700 CE3 TRP A 44 4.147 0.547 -2.160 1.00 0.00 C ATOM 701 CZ2 TRP A 44 3.729 -1.621 -0.395 1.00 0.00 C ATOM 702 CZ3 TRP A 44 3.461 -0.585 -2.557 1.00 0.00 C ATOM 703 CH2 TRP A 44 3.259 -1.656 -1.679 1.00 0.00 C ATOM 0 H TRP A 44 7.021 4.970 -1.443 1.00 0.00 H new ATOM 0 HA TRP A 44 7.950 2.511 -0.455 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.835 3.651 0.212 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.156 3.306 -1.366 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.066 1.572 1.947 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.996 -0.780 2.033 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.301 1.366 -2.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.571 -2.447 0.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 3.074 -0.644 -3.563 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.721 -2.527 -2.022 1.00 0.00 H new ATOM 714 N LYS A 45 6.790 2.449 -3.559 1.00 0.00 N ATOM 715 CA LYS A 45 6.775 1.667 -4.798 1.00 0.00 C ATOM 716 C LYS A 45 8.198 1.349 -5.252 1.00 0.00 C ATOM 717 O LYS A 45 8.459 0.280 -5.810 1.00 0.00 O ATOM 718 CB LYS A 45 6.021 2.411 -5.912 1.00 0.00 C ATOM 719 CG LYS A 45 4.539 2.638 -5.620 1.00 0.00 C ATOM 720 CD LYS A 45 3.846 3.372 -6.765 1.00 0.00 C ATOM 721 CE LYS A 45 3.728 2.505 -8.018 1.00 0.00 C ATOM 722 NZ LYS A 45 2.783 1.369 -7.829 1.00 0.00 N ATOM 0 H LYS A 45 6.378 3.378 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 45 6.253 0.732 -4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.499 3.376 -6.077 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.115 1.846 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.049 1.679 -5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.433 3.214 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.851 3.684 -6.446 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.403 4.278 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.392 3.120 -8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.711 2.117 -8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.271 0.474 -8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.443 1.360 -6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.975 1.479 -8.474 1.00 0.00 H new ATOM 736 N ALA A 46 9.116 2.284 -5.011 1.00 0.00 N ATOM 737 CA ALA A 46 10.525 2.076 -5.326 1.00 0.00 C ATOM 738 C ALA A 46 11.082 0.927 -4.490 1.00 0.00 C ATOM 739 O ALA A 46 11.818 0.074 -4.991 1.00 0.00 O ATOM 740 CB ALA A 46 11.321 3.357 -5.088 1.00 0.00 C ATOM 0 H ALA A 46 8.907 3.193 -4.598 1.00 0.00 H new ATOM 0 HA ALA A 46 10.616 1.814 -6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 46 12.370 3.183 -5.328 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.930 4.152 -5.723 1.00 0.00 H new ATOM 0 HB3 ALA A 46 11.232 3.652 -4.042 1.00 0.00 H new ATOM 746 N CYS A 47 10.703 0.904 -3.216 1.00 0.00 N ATOM 747 CA CYS A 47 11.108 -0.165 -2.310 1.00 0.00 C ATOM 748 C CYS A 47 10.437 -1.483 -2.702 1.00 0.00 C ATOM 749 O CYS A 47 11.047 -2.548 -2.615 1.00 0.00 O ATOM 750 CB CYS A 47 10.757 0.204 -0.868 1.00 0.00 C ATOM 751 SG CYS A 47 11.542 1.727 -0.288 1.00 0.00 S ATOM 0 H CYS A 47 10.113 1.617 -2.786 1.00 0.00 H new ATOM 0 HA CYS A 47 12.188 -0.294 -2.385 1.00 0.00 H new ATOM 0 HB2 CYS A 47 9.675 0.310 -0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 47 11.049 -0.616 -0.212 1.00 0.00 H new ATOM 0 HG CYS A 47 11.013 2.747 -0.897 1.00 0.00 H new ATOM 757 N GLU A 48 9.182 -1.389 -3.141 1.00 0.00 N ATOM 758 CA GLU A 48 8.428 -2.544 -3.633 1.00 0.00 C ATOM 759 C GLU A 48 9.170 -3.188 -4.806 1.00 0.00 C ATOM 760 O GLU A 48 9.313 -4.409 -4.874 1.00 0.00 O ATOM 761 CB GLU A 48 7.019 -2.100 -4.066 1.00 0.00 C ATOM 762 CG GLU A 48 6.207 -3.182 -4.778 1.00 0.00 C ATOM 763 CD GLU A 48 4.997 -2.621 -5.514 1.00 0.00 C ATOM 764 OE1 GLU A 48 5.169 -2.135 -6.655 1.00 0.00 O ATOM 765 OE2 GLU A 48 3.877 -2.667 -4.970 1.00 0.00 O ATOM 0 H GLU A 48 8.660 -0.513 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 48 8.333 -3.280 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.468 -1.770 -3.185 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.110 -1.238 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.849 -3.704 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.873 -3.919 -4.048 1.00 0.00 H new ATOM 772 N ARG A 49 9.646 -2.346 -5.719 1.00 0.00 N ATOM 773 CA ARG A 49 10.430 -2.799 -6.865 1.00 0.00 C ATOM 774 C ARG A 49 11.769 -3.377 -6.412 1.00 0.00 C ATOM 775 O ARG A 49 12.264 -4.352 -6.982 1.00 0.00 O ATOM 776 CB ARG A 49 10.654 -1.633 -7.845 1.00 0.00 C ATOM 777 CG ARG A 49 11.774 -1.870 -8.859 1.00 0.00 C ATOM 778 CD ARG A 49 11.878 -0.736 -9.874 1.00 0.00 C ATOM 779 NE ARG A 49 13.175 -0.727 -10.560 1.00 0.00 N ATOM 780 CZ ARG A 49 13.367 -1.068 -11.835 1.00 0.00 C ATOM 781 NH1 ARG A 49 12.365 -1.541 -12.565 1.00 0.00 N ATOM 782 NH2 ARG A 49 14.577 -0.959 -12.366 1.00 0.00 N ATOM 0 H ARG A 49 9.501 -1.337 -5.687 1.00 0.00 H new ATOM 0 HA ARG A 49 9.875 -3.587 -7.374 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.726 -1.443 -8.384 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.881 -0.732 -7.274 1.00 0.00 H new ATOM 0 HG2 ARG A 49 12.723 -1.973 -8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 49 11.596 -2.809 -9.382 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.080 -0.834 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.729 0.218 -9.368 1.00 0.00 H new ATOM 0 HE ARG A 49 13.991 -0.438 -10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.438 -1.646 -12.152 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.521 -1.799 -13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.353 -0.616 -11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.732 -1.218 -13.340 1.00 0.00 H new ATOM 796 N PHE A 50 12.346 -2.775 -5.378 1.00 0.00 N ATOM 797 CA PHE A 50 13.658 -3.179 -4.884 1.00 0.00 C ATOM 798 C PHE A 50 13.603 -4.578 -4.263 1.00 0.00 C ATOM 799 O PHE A 50 14.468 -5.415 -4.522 1.00 0.00 O ATOM 800 CB PHE A 50 14.180 -2.162 -3.857 1.00 0.00 C ATOM 801 CG PHE A 50 15.626 -2.373 -3.490 1.00 0.00 C ATOM 802 CD1 PHE A 50 15.987 -3.279 -2.502 1.00 0.00 C ATOM 803 CD2 PHE A 50 16.628 -1.670 -4.143 1.00 0.00 C ATOM 804 CE1 PHE A 50 17.311 -3.478 -2.178 1.00 0.00 C ATOM 805 CE2 PHE A 50 17.954 -1.866 -3.819 1.00 0.00 C ATOM 806 CZ PHE A 50 18.298 -2.770 -2.836 1.00 0.00 C ATOM 0 H PHE A 50 11.924 -2.002 -4.863 1.00 0.00 H new ATOM 0 HA PHE A 50 14.344 -3.208 -5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 50 14.057 -1.156 -4.258 1.00 0.00 H new ATOM 0 HB3 PHE A 50 13.571 -2.222 -2.955 1.00 0.00 H new ATOM 0 HD1 PHE A 50 15.221 -3.834 -1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.366 -0.961 -4.914 1.00 0.00 H new ATOM 0 HE1 PHE A 50 17.578 -4.188 -1.409 1.00 0.00 H new ATOM 0 HE2 PHE A 50 18.723 -1.311 -4.335 1.00 0.00 H new ATOM 0 HZ PHE A 50 19.336 -2.924 -2.581 1.00 0.00 H new ATOM 816 N GLN A 51 12.576 -4.830 -3.453 1.00 0.00 N ATOM 817 CA GLN A 51 12.439 -6.115 -2.757 1.00 0.00 C ATOM 818 C GLN A 51 11.958 -7.213 -3.707 1.00 0.00 C ATOM 819 O GLN A 51 11.783 -8.365 -3.304 1.00 0.00 O ATOM 820 CB GLN A 51 11.491 -5.981 -1.554 1.00 0.00 C ATOM 821 CG GLN A 51 10.095 -5.486 -1.911 1.00 0.00 C ATOM 822 CD GLN A 51 9.221 -5.261 -0.688 1.00 0.00 C ATOM 823 OE1 GLN A 51 9.716 -4.963 0.398 1.00 0.00 O ATOM 824 NE2 GLN A 51 7.915 -5.383 -0.860 1.00 0.00 N ATOM 0 H GLN A 51 11.827 -4.165 -3.261 1.00 0.00 H new ATOM 0 HA GLN A 51 13.424 -6.403 -2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 51 11.406 -6.950 -1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 51 11.934 -5.295 -0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.177 -4.554 -2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.614 -6.211 -2.568 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.542 -5.632 -1.776 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.281 -5.228 -0.076 1.00 0.00 H new ATOM 833 N GLN A 52 11.743 -6.846 -4.968 1.00 0.00 N ATOM 834 CA GLN A 52 11.422 -7.813 -6.014 1.00 0.00 C ATOM 835 C GLN A 52 12.692 -8.562 -6.422 1.00 0.00 C ATOM 836 O GLN A 52 12.638 -9.662 -6.977 1.00 0.00 O ATOM 837 CB GLN A 52 10.800 -7.097 -7.223 1.00 0.00 C ATOM 838 CG GLN A 52 10.421 -8.022 -8.374 1.00 0.00 C ATOM 839 CD GLN A 52 9.806 -7.273 -9.545 1.00 0.00 C ATOM 840 OE1 GLN A 52 8.590 -7.101 -9.620 1.00 0.00 O ATOM 841 NE2 GLN A 52 10.644 -6.813 -10.462 1.00 0.00 N ATOM 0 H GLN A 52 11.786 -5.880 -5.291 1.00 0.00 H new ATOM 0 HA GLN A 52 10.696 -8.532 -5.635 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.909 -6.562 -6.894 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.504 -6.350 -7.590 1.00 0.00 H new ATOM 0 HG2 GLN A 52 11.308 -8.556 -8.714 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.716 -8.772 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.646 -6.976 -10.365 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.287 -6.296 -11.265 1.00 0.00 H new ATOM 850 N ILE A 53 13.836 -7.949 -6.130 1.00 0.00 N ATOM 851 CA ILE A 53 15.136 -8.541 -6.421 1.00 0.00 C ATOM 852 C ILE A 53 15.445 -9.644 -5.401 1.00 0.00 C ATOM 853 O ILE A 53 15.461 -9.388 -4.196 1.00 0.00 O ATOM 854 CB ILE A 53 16.253 -7.468 -6.376 1.00 0.00 C ATOM 855 CG1 ILE A 53 15.899 -6.284 -7.297 1.00 0.00 C ATOM 856 CG2 ILE A 53 17.602 -8.073 -6.764 1.00 0.00 C ATOM 857 CD1 ILE A 53 16.851 -5.108 -7.181 1.00 0.00 C ATOM 0 H ILE A 53 13.887 -7.032 -5.687 1.00 0.00 H new ATOM 0 HA ILE A 53 15.102 -8.967 -7.424 1.00 0.00 H new ATOM 0 HB ILE A 53 16.332 -7.097 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.890 -6.631 -8.330 1.00 0.00 H new ATOM 0 HG13 ILE A 53 14.889 -5.945 -7.065 1.00 0.00 H new ATOM 0 HG21 ILE A 53 18.371 -7.302 -6.726 1.00 0.00 H new ATOM 0 HG22 ILE A 53 17.855 -8.873 -6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 53 17.543 -8.476 -7.775 1.00 0.00 H new ATOM 0 HD11 ILE A 53 16.535 -4.316 -7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 53 16.843 -4.733 -6.157 1.00 0.00 H new ATOM 0 HD13 ILE A 53 17.859 -5.429 -7.442 1.00 0.00 H new ATOM 869 N PRO A 54 15.722 -10.881 -5.864 1.00 0.00 N ATOM 870 CA PRO A 54 15.916 -12.042 -4.975 1.00 0.00 C ATOM 871 C PRO A 54 17.266 -12.040 -4.240 1.00 0.00 C ATOM 872 O PRO A 54 17.774 -13.104 -3.881 1.00 0.00 O ATOM 873 CB PRO A 54 15.830 -13.229 -5.945 1.00 0.00 C ATOM 874 CG PRO A 54 16.324 -12.684 -7.242 1.00 0.00 C ATOM 875 CD PRO A 54 15.859 -11.251 -7.289 1.00 0.00 C ATOM 0 HA PRO A 54 15.181 -12.058 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 54 16.442 -14.065 -5.606 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.808 -13.598 -6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 54 17.411 -12.745 -7.303 1.00 0.00 H new ATOM 0 HG3 PRO A 54 15.925 -13.252 -8.082 1.00 0.00 H new ATOM 0 HD2 PRO A 54 16.579 -10.613 -7.801 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.912 -11.154 -7.821 1.00 0.00 H new ATOM 883 N ALA A 55 17.834 -10.847 -4.022 1.00 0.00 N ATOM 884 CA ALA A 55 19.098 -10.675 -3.282 1.00 0.00 C ATOM 885 C ALA A 55 20.321 -11.105 -4.100 1.00 0.00 C ATOM 886 O ALA A 55 21.359 -10.444 -4.062 1.00 0.00 O ATOM 887 CB ALA A 55 19.058 -11.419 -1.947 1.00 0.00 C ATOM 0 H ALA A 55 17.432 -9.970 -4.353 1.00 0.00 H new ATOM 0 HA ALA A 55 19.201 -9.608 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 55 20.002 -11.275 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 55 18.242 -11.030 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 55 18.901 -12.482 -2.128 1.00 0.00 H new ATOM 893 N SER A 56 20.191 -12.204 -4.836 1.00 0.00 N ATOM 894 CA SER A 56 21.288 -12.761 -5.621 1.00 0.00 C ATOM 895 C SER A 56 21.875 -11.726 -6.590 1.00 0.00 C ATOM 896 O SER A 56 23.077 -11.734 -6.869 1.00 0.00 O ATOM 897 CB SER A 56 20.791 -13.993 -6.386 1.00 0.00 C ATOM 898 OG SER A 56 20.145 -14.907 -5.510 1.00 0.00 O ATOM 0 H SER A 56 19.322 -12.734 -4.905 1.00 0.00 H new ATOM 0 HA SER A 56 22.087 -13.052 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 56 20.100 -13.685 -7.170 1.00 0.00 H new ATOM 0 HB3 SER A 56 21.631 -14.485 -6.876 1.00 0.00 H new ATOM 0 HG SER A 56 19.834 -15.684 -6.019 1.00 0.00 H new ATOM 904 N ASP A 57 21.024 -10.837 -7.099 1.00 0.00 N ATOM 905 CA ASP A 57 21.468 -9.769 -7.996 1.00 0.00 C ATOM 906 C ASP A 57 22.088 -8.626 -7.192 1.00 0.00 C ATOM 907 O ASP A 57 21.535 -7.526 -7.139 1.00 0.00 O ATOM 908 CB ASP A 57 20.297 -9.231 -8.834 1.00 0.00 C ATOM 909 CG ASP A 57 19.662 -10.275 -9.738 1.00 0.00 C ATOM 910 OD1 ASP A 57 18.788 -11.030 -9.262 1.00 0.00 O ATOM 911 OD2 ASP A 57 20.016 -10.330 -10.935 1.00 0.00 O ATOM 0 H ASP A 57 20.022 -10.834 -6.906 1.00 0.00 H new ATOM 0 HA ASP A 57 22.216 -10.187 -8.670 1.00 0.00 H new ATOM 0 HB2 ASP A 57 19.536 -8.832 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 57 20.651 -8.401 -9.445 1.00 0.00 H new ATOM 916 N THR A 58 23.228 -8.893 -6.559 1.00 0.00 N ATOM 917 CA THR A 58 23.909 -7.899 -5.727 1.00 0.00 C ATOM 918 C THR A 58 24.159 -6.601 -6.502 1.00 0.00 C ATOM 919 O THR A 58 23.975 -5.502 -5.973 1.00 0.00 O ATOM 920 CB THR A 58 25.253 -8.446 -5.191 1.00 0.00 C ATOM 921 OG1 THR A 58 25.033 -9.702 -4.534 1.00 0.00 O ATOM 922 CG2 THR A 58 25.905 -7.466 -4.213 1.00 0.00 C ATOM 0 H THR A 58 23.703 -9.794 -6.606 1.00 0.00 H new ATOM 0 HA THR A 58 23.252 -7.684 -4.884 1.00 0.00 H new ATOM 0 HB THR A 58 25.926 -8.580 -6.038 1.00 0.00 H new ATOM 0 HG1 THR A 58 25.885 -10.048 -4.196 1.00 0.00 H new ATOM 0 HG21 THR A 58 26.847 -7.881 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 58 26.094 -6.519 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 58 25.238 -7.298 -3.367 1.00 0.00 H new ATOM 930 N GLN A 59 24.557 -6.737 -7.765 1.00 0.00 N ATOM 931 CA GLN A 59 24.836 -5.580 -8.610 1.00 0.00 C ATOM 932 C GLN A 59 23.567 -4.754 -8.817 1.00 0.00 C ATOM 933 O GLN A 59 23.582 -3.531 -8.679 1.00 0.00 O ATOM 934 CB GLN A 59 25.408 -6.021 -9.967 1.00 0.00 C ATOM 935 CG GLN A 59 25.823 -4.855 -10.866 1.00 0.00 C ATOM 936 CD GLN A 59 26.915 -3.990 -10.252 1.00 0.00 C ATOM 937 OE1 GLN A 59 27.751 -4.471 -9.488 1.00 0.00 O ATOM 938 NE2 GLN A 59 26.912 -2.704 -10.571 1.00 0.00 N ATOM 0 H GLN A 59 24.693 -7.637 -8.225 1.00 0.00 H new ATOM 0 HA GLN A 59 25.580 -4.962 -8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 59 26.273 -6.662 -9.796 1.00 0.00 H new ATOM 0 HB3 GLN A 59 24.663 -6.623 -10.488 1.00 0.00 H new ATOM 0 HG2 GLN A 59 26.172 -5.246 -11.822 1.00 0.00 H new ATOM 0 HG3 GLN A 59 24.951 -4.236 -11.074 1.00 0.00 H new ATOM 0 HE21 GLN A 59 26.204 -2.338 -11.208 1.00 0.00 H new ATOM 0 HE22 GLN A 59 27.618 -2.080 -10.180 1.00 0.00 H new ATOM 947 N GLN A 60 22.465 -5.437 -9.124 1.00 0.00 N ATOM 948 CA GLN A 60 21.188 -4.771 -9.358 1.00 0.00 C ATOM 949 C GLN A 60 20.721 -4.067 -8.084 1.00 0.00 C ATOM 950 O GLN A 60 20.195 -2.954 -8.136 1.00 0.00 O ATOM 951 CB GLN A 60 20.133 -5.780 -9.836 1.00 0.00 C ATOM 952 CG GLN A 60 18.803 -5.144 -10.235 1.00 0.00 C ATOM 953 CD GLN A 60 17.783 -6.154 -10.738 1.00 0.00 C ATOM 954 OE1 GLN A 60 17.782 -7.316 -10.329 1.00 0.00 O ATOM 955 NE2 GLN A 60 16.905 -5.716 -11.626 1.00 0.00 N ATOM 0 H GLN A 60 22.433 -6.452 -9.216 1.00 0.00 H new ATOM 0 HA GLN A 60 21.322 -4.023 -10.140 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.531 -6.331 -10.688 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.954 -6.506 -9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 60 18.388 -4.615 -9.377 1.00 0.00 H new ATOM 0 HG3 GLN A 60 18.982 -4.400 -11.012 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.938 -4.746 -11.940 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.195 -6.348 -11.996 1.00 0.00 H new ATOM 964 N LEU A 61 20.940 -4.720 -6.940 1.00 0.00 N ATOM 965 CA LEU A 61 20.634 -4.126 -5.638 1.00 0.00 C ATOM 966 C LEU A 61 21.363 -2.794 -5.482 1.00 0.00 C ATOM 967 O LEU A 61 20.758 -1.776 -5.142 1.00 0.00 O ATOM 968 CB LEU A 61 21.046 -5.070 -4.495 1.00 0.00 C ATOM 969 CG LEU A 61 20.254 -6.383 -4.380 1.00 0.00 C ATOM 970 CD1 LEU A 61 20.861 -7.280 -3.302 1.00 0.00 C ATOM 971 CD2 LEU A 61 18.784 -6.100 -4.077 1.00 0.00 C ATOM 0 H LEU A 61 21.329 -5.662 -6.890 1.00 0.00 H new ATOM 0 HA LEU A 61 19.558 -3.960 -5.588 1.00 0.00 H new ATOM 0 HB2 LEU A 61 22.101 -5.316 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 61 20.952 -4.529 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 61 20.312 -6.904 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.289 -8.205 -3.234 1.00 0.00 H new ATOM 0 HD12 LEU A 61 21.894 -7.511 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.834 -6.765 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 61 18.241 -7.042 -3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 61 18.705 -5.557 -3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 61 18.356 -5.499 -4.880 1.00 0.00 H new ATOM 983 N ALA A 62 22.667 -2.814 -5.747 1.00 0.00 N ATOM 984 CA ALA A 62 23.501 -1.621 -5.631 1.00 0.00 C ATOM 985 C ALA A 62 22.994 -0.512 -6.554 1.00 0.00 C ATOM 986 O ALA A 62 22.884 0.649 -6.151 1.00 0.00 O ATOM 987 CB ALA A 62 24.952 -1.960 -5.951 1.00 0.00 C ATOM 0 H ALA A 62 23.171 -3.649 -6.045 1.00 0.00 H new ATOM 0 HA ALA A 62 23.444 -1.260 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 62 25.564 -1.062 -5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 62 25.312 -2.716 -5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.020 -2.345 -6.969 1.00 0.00 H new ATOM 993 N GLN A 63 22.672 -0.891 -7.791 1.00 0.00 N ATOM 994 CA GLN A 63 22.195 0.056 -8.796 1.00 0.00 C ATOM 995 C GLN A 63 20.892 0.724 -8.350 1.00 0.00 C ATOM 996 O GLN A 63 20.813 1.951 -8.267 1.00 0.00 O ATOM 997 CB GLN A 63 21.983 -0.655 -10.142 1.00 0.00 C ATOM 998 CG GLN A 63 23.261 -1.211 -10.765 1.00 0.00 C ATOM 999 CD GLN A 63 24.285 -0.137 -11.110 1.00 0.00 C ATOM 1000 OE1 GLN A 63 25.491 -0.381 -11.064 1.00 0.00 O ATOM 1001 NE2 GLN A 63 23.821 1.048 -11.484 1.00 0.00 N ATOM 0 H GLN A 63 22.734 -1.854 -8.121 1.00 0.00 H new ATOM 0 HA GLN A 63 22.954 0.829 -8.915 1.00 0.00 H new ATOM 0 HB2 GLN A 63 21.276 -1.472 -10.001 1.00 0.00 H new ATOM 0 HB3 GLN A 63 21.526 0.045 -10.842 1.00 0.00 H new ATOM 0 HG2 GLN A 63 23.712 -1.924 -10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 63 23.005 -1.762 -11.670 1.00 0.00 H new ATOM 0 HE21 GLN A 63 22.815 1.217 -11.511 1.00 0.00 H new ATOM 0 HE22 GLN A 63 24.470 1.791 -11.745 1.00 0.00 H new ATOM 1010 N GLU A 64 19.881 -0.089 -8.050 1.00 0.00 N ATOM 1011 CA GLU A 64 18.562 0.425 -7.689 1.00 0.00 C ATOM 1012 C GLU A 64 18.628 1.257 -6.404 1.00 0.00 C ATOM 1013 O GLU A 64 18.010 2.320 -6.315 1.00 0.00 O ATOM 1014 CB GLU A 64 17.557 -0.726 -7.535 1.00 0.00 C ATOM 1015 CG GLU A 64 17.362 -1.549 -8.807 1.00 0.00 C ATOM 1016 CD GLU A 64 16.970 -0.703 -10.011 1.00 0.00 C ATOM 1017 OE1 GLU A 64 15.880 -0.096 -9.996 1.00 0.00 O ATOM 1018 OE2 GLU A 64 17.743 -0.653 -10.991 1.00 0.00 O ATOM 0 H GLU A 64 19.950 -1.107 -8.050 1.00 0.00 H new ATOM 0 HA GLU A 64 18.222 1.075 -8.495 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.894 -1.385 -6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.595 -0.317 -7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.285 -2.084 -9.031 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.592 -2.300 -8.632 1.00 0.00 H new ATOM 1025 N ALA A 65 19.393 0.780 -5.422 1.00 0.00 N ATOM 1026 CA ALA A 65 19.566 1.504 -4.161 1.00 0.00 C ATOM 1027 C ALA A 65 20.177 2.879 -4.414 1.00 0.00 C ATOM 1028 O ALA A 65 19.782 3.869 -3.802 1.00 0.00 O ATOM 1029 CB ALA A 65 20.441 0.709 -3.198 1.00 0.00 C ATOM 0 H ALA A 65 19.902 -0.102 -5.474 1.00 0.00 H new ATOM 0 HA ALA A 65 18.584 1.636 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 65 20.557 1.265 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.972 -0.253 -2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 65 21.421 0.546 -3.647 1.00 0.00 H new ATOM 1035 N ARG A 66 21.142 2.920 -5.329 1.00 0.00 N ATOM 1036 CA ARG A 66 21.791 4.167 -5.723 1.00 0.00 C ATOM 1037 C ARG A 66 20.762 5.109 -6.347 1.00 0.00 C ATOM 1038 O ARG A 66 20.747 6.308 -6.056 1.00 0.00 O ATOM 1039 CB ARG A 66 22.940 3.856 -6.709 1.00 0.00 C ATOM 1040 CG ARG A 66 23.781 5.058 -7.160 1.00 0.00 C ATOM 1041 CD ARG A 66 23.092 5.898 -8.237 1.00 0.00 C ATOM 1042 NE ARG A 66 22.613 5.082 -9.360 1.00 0.00 N ATOM 1043 CZ ARG A 66 23.042 5.209 -10.618 1.00 0.00 C ATOM 1044 NH1 ARG A 66 24.004 6.075 -10.916 1.00 0.00 N ATOM 1045 NH2 ARG A 66 22.514 4.461 -11.574 1.00 0.00 N ATOM 0 H ARG A 66 21.494 2.096 -5.815 1.00 0.00 H new ATOM 0 HA ARG A 66 22.213 4.662 -4.848 1.00 0.00 H new ATOM 0 HB2 ARG A 66 23.604 3.127 -6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 66 22.515 3.382 -7.594 1.00 0.00 H new ATOM 0 HG2 ARG A 66 23.996 5.688 -6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 66 24.738 4.702 -7.541 1.00 0.00 H new ATOM 0 HD2 ARG A 66 22.251 6.433 -7.795 1.00 0.00 H new ATOM 0 HD3 ARG A 66 23.788 6.650 -8.608 1.00 0.00 H new ATOM 0 HE ARG A 66 21.907 4.372 -9.166 1.00 0.00 H new ATOM 0 HH11 ARG A 66 24.420 6.648 -10.182 1.00 0.00 H new ATOM 0 HH12 ARG A 66 24.327 6.167 -11.879 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.781 3.789 -11.349 1.00 0.00 H new ATOM 0 HH22 ARG A 66 22.841 4.557 -12.536 1.00 0.00 H new ATOM 1059 N ASN A 67 19.902 4.551 -7.197 1.00 0.00 N ATOM 1060 CA ASN A 67 18.854 5.324 -7.871 1.00 0.00 C ATOM 1061 C ASN A 67 17.926 5.979 -6.853 1.00 0.00 C ATOM 1062 O ASN A 67 17.562 7.147 -6.993 1.00 0.00 O ATOM 1063 CB ASN A 67 18.038 4.424 -8.817 1.00 0.00 C ATOM 1064 CG ASN A 67 18.821 3.971 -10.039 1.00 0.00 C ATOM 1065 OD1 ASN A 67 20.051 3.894 -10.019 1.00 0.00 O ATOM 1066 ND2 ASN A 67 18.112 3.637 -11.108 1.00 0.00 N ATOM 0 H ASN A 67 19.909 3.560 -7.438 1.00 0.00 H new ATOM 0 HA ASN A 67 19.339 6.105 -8.458 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.696 3.547 -8.268 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.149 4.963 -9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.583 3.304 -11.949 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.095 3.713 -11.090 1.00 0.00 H new ATOM 1073 N ILE A 68 17.548 5.218 -5.828 1.00 0.00 N ATOM 1074 CA ILE A 68 16.669 5.723 -4.774 1.00 0.00 C ATOM 1075 C ILE A 68 17.424 6.715 -3.886 1.00 0.00 C ATOM 1076 O ILE A 68 16.869 7.730 -3.446 1.00 0.00 O ATOM 1077 CB ILE A 68 16.115 4.565 -3.901 1.00 0.00 C ATOM 1078 CG1 ILE A 68 15.426 3.507 -4.784 1.00 0.00 C ATOM 1079 CG2 ILE A 68 15.141 5.098 -2.848 1.00 0.00 C ATOM 1080 CD1 ILE A 68 14.939 2.290 -4.020 1.00 0.00 C ATOM 0 H ILE A 68 17.837 4.248 -5.704 1.00 0.00 H new ATOM 0 HA ILE A 68 15.830 6.227 -5.254 1.00 0.00 H new ATOM 0 HB ILE A 68 16.953 4.095 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.579 3.968 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 68 16.123 3.183 -5.557 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.765 4.270 -2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 68 15.656 5.809 -2.203 1.00 0.00 H new ATOM 0 HG23 ILE A 68 14.307 5.595 -3.343 1.00 0.00 H new ATOM 0 HD11 ILE A 68 14.466 1.592 -4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 68 15.785 1.803 -3.534 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.216 2.600 -3.265 1.00 0.00 H new ATOM 1092 N TYR A 69 18.701 6.416 -3.643 1.00 0.00 N ATOM 1093 CA TYR A 69 19.545 7.247 -2.793 1.00 0.00 C ATOM 1094 C TYR A 69 19.655 8.659 -3.359 1.00 0.00 C ATOM 1095 O TYR A 69 19.224 9.625 -2.729 1.00 0.00 O ATOM 1096 CB TYR A 69 20.948 6.632 -2.644 1.00 0.00 C ATOM 1097 CG TYR A 69 21.864 7.418 -1.717 1.00 0.00 C ATOM 1098 CD1 TYR A 69 21.762 7.298 -0.334 1.00 0.00 C ATOM 1099 CD2 TYR A 69 22.824 8.288 -2.226 1.00 0.00 C ATOM 1100 CE1 TYR A 69 22.589 8.017 0.509 1.00 0.00 C ATOM 1101 CE2 TYR A 69 23.651 9.012 -1.388 1.00 0.00 C ATOM 1102 CZ TYR A 69 23.530 8.872 -0.021 1.00 0.00 C ATOM 1103 OH TYR A 69 24.349 9.597 0.819 1.00 0.00 O ATOM 0 H TYR A 69 19.173 5.598 -4.028 1.00 0.00 H new ATOM 0 HA TYR A 69 19.080 7.297 -1.808 1.00 0.00 H new ATOM 0 HB2 TYR A 69 20.851 5.614 -2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 69 21.412 6.565 -3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 69 21.024 6.632 0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 69 22.924 8.399 -3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 69 22.498 7.909 1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 69 24.388 9.684 -1.801 1.00 0.00 H new ATOM 0 HH TYR A 69 24.957 10.151 0.286 1.00 0.00 H new ATOM 1113 N GLN A 70 20.197 8.764 -4.567 1.00 0.00 N ATOM 1114 CA GLN A 70 20.470 10.056 -5.196 1.00 0.00 C ATOM 1115 C GLN A 70 19.206 10.647 -5.822 1.00 0.00 C ATOM 1116 O GLN A 70 19.238 11.145 -6.949 1.00 0.00 O ATOM 1117 CB GLN A 70 21.563 9.897 -6.263 1.00 0.00 C ATOM 1118 CG GLN A 70 22.891 9.373 -5.721 1.00 0.00 C ATOM 1119 CD GLN A 70 23.954 9.243 -6.799 1.00 0.00 C ATOM 1120 OE1 GLN A 70 23.649 9.017 -7.972 1.00 0.00 O ATOM 1121 NE2 GLN A 70 25.210 9.370 -6.410 1.00 0.00 N ATOM 0 H GLN A 70 20.460 7.961 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 70 20.815 10.744 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 70 21.205 9.217 -7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 70 21.733 10.862 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 70 23.251 10.044 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN A 70 22.730 8.400 -5.256 1.00 0.00 H new ATOM 0 HE21 GLN A 70 25.424 9.557 -5.430 1.00 0.00 H new ATOM 0 HE22 GLN A 70 25.966 9.281 -7.089 1.00 0.00 H new ATOM 1130 N GLU A 71 18.104 10.612 -5.081 1.00 0.00 N ATOM 1131 CA GLU A 71 16.831 11.131 -5.570 1.00 0.00 C ATOM 1132 C GLU A 71 15.919 11.477 -4.392 1.00 0.00 C ATOM 1133 O GLU A 71 15.461 12.615 -4.253 1.00 0.00 O ATOM 1134 CB GLU A 71 16.148 10.095 -6.478 1.00 0.00 C ATOM 1135 CG GLU A 71 15.211 10.702 -7.516 1.00 0.00 C ATOM 1136 CD GLU A 71 15.967 11.433 -8.617 1.00 0.00 C ATOM 1137 OE1 GLU A 71 16.403 10.764 -9.582 1.00 0.00 O ATOM 1138 OE2 GLU A 71 16.145 12.665 -8.519 1.00 0.00 O ATOM 0 H GLU A 71 18.066 10.229 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 71 17.020 12.035 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 71 16.915 9.515 -6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 71 15.584 9.399 -5.857 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.602 9.914 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 71 14.528 11.395 -7.025 1.00 0.00 H new ATOM 1145 N PHE A 72 15.668 10.480 -3.543 1.00 0.00 N ATOM 1146 CA PHE A 72 14.770 10.638 -2.397 1.00 0.00 C ATOM 1147 C PHE A 72 15.544 10.697 -1.078 1.00 0.00 C ATOM 1148 O PHE A 72 15.098 11.320 -0.109 1.00 0.00 O ATOM 1149 CB PHE A 72 13.780 9.464 -2.331 1.00 0.00 C ATOM 1150 CG PHE A 72 12.892 9.315 -3.542 1.00 0.00 C ATOM 1151 CD1 PHE A 72 13.306 8.570 -4.637 1.00 0.00 C ATOM 1152 CD2 PHE A 72 11.638 9.909 -3.578 1.00 0.00 C ATOM 1153 CE1 PHE A 72 12.490 8.423 -5.742 1.00 0.00 C ATOM 1154 CE2 PHE A 72 10.817 9.763 -4.679 1.00 0.00 C ATOM 1155 CZ PHE A 72 11.244 9.020 -5.763 1.00 0.00 C ATOM 0 H PHE A 72 16.076 9.549 -3.628 1.00 0.00 H new ATOM 0 HA PHE A 72 14.235 11.577 -2.535 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.342 8.540 -2.195 1.00 0.00 H new ATOM 0 HB3 PHE A 72 13.151 9.587 -1.450 1.00 0.00 H new ATOM 0 HD1 PHE A 72 14.278 8.099 -4.625 1.00 0.00 H new ATOM 0 HD2 PHE A 72 11.300 10.493 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 72 12.826 7.842 -6.588 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.843 10.229 -4.693 1.00 0.00 H new ATOM 0 HZ PHE A 72 10.604 8.906 -6.626 1.00 0.00 H new ATOM 1165 N LEU A 73 16.704 10.040 -1.042 1.00 0.00 N ATOM 1166 CA LEU A 73 17.421 9.805 0.213 1.00 0.00 C ATOM 1167 C LEU A 73 18.770 10.528 0.254 1.00 0.00 C ATOM 1168 O LEU A 73 19.579 10.295 1.157 1.00 0.00 O ATOM 1169 CB LEU A 73 17.616 8.294 0.401 1.00 0.00 C ATOM 1170 CG LEU A 73 16.315 7.472 0.420 1.00 0.00 C ATOM 1171 CD1 LEU A 73 16.613 5.977 0.368 1.00 0.00 C ATOM 1172 CD2 LEU A 73 15.480 7.815 1.653 1.00 0.00 C ATOM 0 H LEU A 73 17.168 9.661 -1.868 1.00 0.00 H new ATOM 0 HA LEU A 73 16.823 10.210 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 73 18.253 7.922 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.150 8.124 1.336 1.00 0.00 H new ATOM 0 HG LEU A 73 15.738 7.731 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 73 15.677 5.419 0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 73 17.159 5.746 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 73 17.217 5.696 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.564 7.224 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 73 16.052 7.591 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 73 15.227 8.875 1.638 1.00 0.00 H new ATOM 1184 N SER A 74 19.010 11.403 -0.713 1.00 0.00 N ATOM 1185 CA SER A 74 20.230 12.201 -0.741 1.00 0.00 C ATOM 1186 C SER A 74 20.026 13.508 0.032 1.00 0.00 C ATOM 1187 O SER A 74 18.891 13.893 0.321 1.00 0.00 O ATOM 1188 CB SER A 74 20.638 12.479 -2.193 1.00 0.00 C ATOM 1189 OG SER A 74 19.545 12.985 -2.946 1.00 0.00 O ATOM 0 H SER A 74 18.374 11.579 -1.491 1.00 0.00 H new ATOM 0 HA SER A 74 21.034 11.645 -0.258 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.459 13.196 -2.212 1.00 0.00 H new ATOM 0 HB3 SER A 74 21.006 11.561 -2.652 1.00 0.00 H new ATOM 0 HG SER A 74 19.833 13.155 -3.867 1.00 0.00 H new ATOM 1195 N SER A 75 21.120 14.172 0.384 1.00 0.00 N ATOM 1196 CA SER A 75 21.049 15.448 1.089 1.00 0.00 C ATOM 1197 C SER A 75 20.485 16.528 0.167 1.00 0.00 C ATOM 1198 O SER A 75 19.667 17.355 0.579 1.00 0.00 O ATOM 1199 CB SER A 75 22.436 15.843 1.597 1.00 0.00 C ATOM 1200 OG SER A 75 22.975 14.833 2.436 1.00 0.00 O ATOM 0 H SER A 75 22.068 13.849 0.193 1.00 0.00 H new ATOM 0 HA SER A 75 20.383 15.345 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 75 23.103 16.013 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 75 22.373 16.782 2.147 1.00 0.00 H new ATOM 0 HG SER A 75 23.863 15.106 2.748 1.00 0.00 H new ATOM 1206 N GLN A 76 20.921 16.493 -1.090 1.00 0.00 N ATOM 1207 CA GLN A 76 20.432 17.409 -2.120 1.00 0.00 C ATOM 1208 C GLN A 76 19.289 16.754 -2.905 1.00 0.00 C ATOM 1209 O GLN A 76 19.156 16.948 -4.116 1.00 0.00 O ATOM 1210 CB GLN A 76 21.581 17.806 -3.072 1.00 0.00 C ATOM 1211 CG GLN A 76 22.581 18.810 -2.489 1.00 0.00 C ATOM 1212 CD GLN A 76 23.340 18.290 -1.275 1.00 0.00 C ATOM 1213 OE1 GLN A 76 22.919 18.481 -0.135 1.00 0.00 O ATOM 1214 NE2 GLN A 76 24.462 17.628 -1.512 1.00 0.00 N ATOM 0 H GLN A 76 21.622 15.831 -1.424 1.00 0.00 H new ATOM 0 HA GLN A 76 20.054 18.311 -1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 76 22.120 16.905 -3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 76 21.152 18.228 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 76 23.298 19.085 -3.263 1.00 0.00 H new ATOM 0 HG3 GLN A 76 22.048 19.719 -2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 76 24.779 17.489 -2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 76 25.009 17.257 -0.735 1.00 0.00 H new ATOM 1223 N ALA A 77 18.465 15.981 -2.199 1.00 0.00 N ATOM 1224 CA ALA A 77 17.339 15.278 -2.811 1.00 0.00 C ATOM 1225 C ALA A 77 16.282 16.260 -3.310 1.00 0.00 C ATOM 1226 O ALA A 77 16.022 17.284 -2.674 1.00 0.00 O ATOM 1227 CB ALA A 77 16.725 14.299 -1.816 1.00 0.00 C ATOM 0 H ALA A 77 18.558 15.825 -1.195 1.00 0.00 H new ATOM 0 HA ALA A 77 17.714 14.721 -3.670 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.887 13.782 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 77 17.477 13.571 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.372 14.844 -0.941 1.00 0.00 H new ATOM 1233 N LEU A 78 15.675 15.939 -4.449 1.00 0.00 N ATOM 1234 CA LEU A 78 14.630 16.775 -5.035 1.00 0.00 C ATOM 1235 C LEU A 78 13.335 16.639 -4.237 1.00 0.00 C ATOM 1236 O LEU A 78 12.503 17.551 -4.218 1.00 0.00 O ATOM 1237 CB LEU A 78 14.387 16.402 -6.511 1.00 0.00 C ATOM 1238 CG LEU A 78 15.481 16.844 -7.507 1.00 0.00 C ATOM 1239 CD1 LEU A 78 16.819 16.175 -7.201 1.00 0.00 C ATOM 1240 CD2 LEU A 78 15.049 16.553 -8.945 1.00 0.00 C ATOM 0 H LEU A 78 15.890 15.100 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 78 14.963 17.812 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 78 14.277 15.320 -6.579 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.439 16.839 -6.825 1.00 0.00 H new ATOM 0 HG LEU A 78 15.616 17.920 -7.396 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.566 16.509 -7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 78 17.139 16.445 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 78 16.708 15.093 -7.268 1.00 0.00 H new ATOM 0 HD21 LEU A 78 15.833 16.872 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 78 14.875 15.483 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.130 17.096 -9.166 1.00 0.00 H new ATOM 1252 N SER A 79 13.172 15.495 -3.586 1.00 0.00 N ATOM 1253 CA SER A 79 12.014 15.246 -2.741 1.00 0.00 C ATOM 1254 C SER A 79 12.410 14.393 -1.536 1.00 0.00 C ATOM 1255 O SER A 79 12.341 13.162 -1.587 1.00 0.00 O ATOM 1256 CB SER A 79 10.901 14.564 -3.552 1.00 0.00 C ATOM 1257 OG SER A 79 11.390 13.411 -4.220 1.00 0.00 O ATOM 0 H SER A 79 13.833 14.720 -3.628 1.00 0.00 H new ATOM 0 HA SER A 79 11.634 16.199 -2.374 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.082 14.284 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.495 15.266 -4.281 1.00 0.00 H new ATOM 0 HG SER A 79 11.910 12.866 -3.593 1.00 0.00 H new ATOM 1263 N PRO A 80 12.884 15.040 -0.451 1.00 0.00 N ATOM 1264 CA PRO A 80 13.241 14.343 0.791 1.00 0.00 C ATOM 1265 C PRO A 80 12.038 13.616 1.393 1.00 0.00 C ATOM 1266 O PRO A 80 10.965 14.199 1.550 1.00 0.00 O ATOM 1267 CB PRO A 80 13.720 15.473 1.722 1.00 0.00 C ATOM 1268 CG PRO A 80 14.070 16.601 0.809 1.00 0.00 C ATOM 1269 CD PRO A 80 13.121 16.493 -0.353 1.00 0.00 C ATOM 0 HA PRO A 80 13.996 13.573 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.940 15.762 2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.582 15.160 2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.963 17.561 1.314 1.00 0.00 H new ATOM 0 HG3 PRO A 80 15.106 16.529 0.477 1.00 0.00 H new ATOM 0 HD2 PRO A 80 12.197 17.042 -0.172 1.00 0.00 H new ATOM 0 HD3 PRO A 80 13.556 16.894 -1.268 1.00 0.00 H new ATOM 1277 N VAL A 81 12.228 12.342 1.724 1.00 0.00 N ATOM 1278 CA VAL A 81 11.147 11.510 2.256 1.00 0.00 C ATOM 1279 C VAL A 81 10.731 11.973 3.660 1.00 0.00 C ATOM 1280 O VAL A 81 9.639 11.654 4.131 1.00 0.00 O ATOM 1281 CB VAL A 81 11.559 10.014 2.293 1.00 0.00 C ATOM 1282 CG1 VAL A 81 10.358 9.126 2.588 1.00 0.00 C ATOM 1283 CG2 VAL A 81 12.220 9.601 0.980 1.00 0.00 C ATOM 0 H VAL A 81 13.122 11.860 1.634 1.00 0.00 H new ATOM 0 HA VAL A 81 10.294 11.620 1.587 1.00 0.00 H new ATOM 0 HB VAL A 81 12.283 9.886 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.673 8.083 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.935 9.396 3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.605 9.262 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.500 8.549 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.521 9.752 0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.111 10.207 0.815 1.00 0.00 H new ATOM 1293 N ASN A 82 11.622 12.722 4.321 1.00 0.00 N ATOM 1294 CA ASN A 82 11.347 13.323 5.638 1.00 0.00 C ATOM 1295 C ASN A 82 11.165 12.264 6.730 1.00 0.00 C ATOM 1296 O ASN A 82 10.644 12.550 7.809 1.00 0.00 O ATOM 1297 CB ASN A 82 10.114 14.245 5.569 1.00 0.00 C ATOM 1298 CG ASN A 82 10.327 15.440 4.652 1.00 0.00 C ATOM 1299 OD1 ASN A 82 11.441 15.953 4.522 1.00 0.00 O ATOM 1300 ND2 ASN A 82 9.263 15.891 4.004 1.00 0.00 N ATOM 0 H ASN A 82 12.553 12.930 3.961 1.00 0.00 H new ATOM 0 HA ASN A 82 12.219 13.919 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 82 9.256 13.672 5.219 1.00 0.00 H new ATOM 0 HB3 ASN A 82 9.873 14.599 6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 82 9.350 16.688 3.373 1.00 0.00 H new ATOM 0 HD22 ASN A 82 8.357 15.442 4.136 1.00 0.00 H new ATOM 1307 N ILE A 83 11.615 11.046 6.445 1.00 0.00 N ATOM 1308 CA ILE A 83 11.601 9.953 7.420 1.00 0.00 C ATOM 1309 C ILE A 83 12.787 10.080 8.381 1.00 0.00 C ATOM 1310 O ILE A 83 13.362 11.162 8.516 1.00 0.00 O ATOM 1311 CB ILE A 83 11.659 8.582 6.700 1.00 0.00 C ATOM 1312 CG1 ILE A 83 12.830 8.558 5.699 1.00 0.00 C ATOM 1313 CG2 ILE A 83 10.331 8.288 6.005 1.00 0.00 C ATOM 1314 CD1 ILE A 83 12.906 7.301 4.861 1.00 0.00 C ATOM 0 H ILE A 83 11.999 10.786 5.536 1.00 0.00 H new ATOM 0 HA ILE A 83 10.673 10.016 7.988 1.00 0.00 H new ATOM 0 HB ILE A 83 11.829 7.800 7.440 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.743 9.418 5.035 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.765 8.672 6.248 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.389 7.322 5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.530 8.266 6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.125 9.066 5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 83 13.758 7.366 4.184 1.00 0.00 H new ATOM 0 HD12 ILE A 83 13.026 6.436 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 83 11.989 7.194 4.281 1.00 0.00 H new ATOM 1326 N ASP A 84 13.145 8.983 9.052 1.00 0.00 N ATOM 1327 CA ASP A 84 14.310 8.967 9.938 1.00 0.00 C ATOM 1328 C ASP A 84 15.583 9.298 9.154 1.00 0.00 C ATOM 1329 O ASP A 84 16.220 8.427 8.564 1.00 0.00 O ATOM 1330 CB ASP A 84 14.436 7.611 10.669 1.00 0.00 C ATOM 1331 CG ASP A 84 14.240 6.401 9.758 1.00 0.00 C ATOM 1332 OD1 ASP A 84 13.077 6.119 9.384 1.00 0.00 O ATOM 1333 OD2 ASP A 84 15.232 5.706 9.447 1.00 0.00 O ATOM 0 H ASP A 84 12.645 8.095 8.999 1.00 0.00 H new ATOM 0 HA ASP A 84 14.172 9.735 10.699 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.420 7.549 11.134 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.701 7.572 11.473 1.00 0.00 H new ATOM 1338 N ARG A 85 15.916 10.586 9.125 1.00 0.00 N ATOM 1339 CA ARG A 85 17.055 11.094 8.358 1.00 0.00 C ATOM 1340 C ARG A 85 18.187 11.540 9.280 1.00 0.00 C ATOM 1341 O ARG A 85 19.338 11.654 8.852 1.00 0.00 O ATOM 1342 CB ARG A 85 16.601 12.278 7.490 1.00 0.00 C ATOM 1343 CG ARG A 85 15.636 11.897 6.370 1.00 0.00 C ATOM 1344 CD ARG A 85 16.370 11.290 5.183 1.00 0.00 C ATOM 1345 NE ARG A 85 17.252 12.272 4.546 1.00 0.00 N ATOM 1346 CZ ARG A 85 18.300 11.968 3.781 1.00 0.00 C ATOM 1347 NH1 ARG A 85 18.631 10.703 3.555 1.00 0.00 N ATOM 1348 NH2 ARG A 85 19.018 12.943 3.244 1.00 0.00 N ATOM 0 H ARG A 85 15.405 11.309 9.632 1.00 0.00 H new ATOM 0 HA ARG A 85 17.428 10.289 7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 85 16.124 13.021 8.129 1.00 0.00 H new ATOM 0 HB3 ARG A 85 17.480 12.752 7.052 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.902 11.185 6.748 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.086 12.781 6.046 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.956 10.432 5.514 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.647 10.921 4.455 1.00 0.00 H new ATOM 0 HE ARG A 85 17.049 13.260 4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 85 18.081 9.950 3.969 1.00 0.00 H new ATOM 0 HH12 ARG A 85 19.435 10.483 2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 85 18.767 13.916 3.417 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.822 12.721 2.657 1.00 0.00 H new ATOM 1362 N GLN A 86 17.857 11.787 10.543 1.00 0.00 N ATOM 1363 CA GLN A 86 18.820 12.326 11.503 1.00 0.00 C ATOM 1364 C GLN A 86 19.831 11.253 11.905 1.00 0.00 C ATOM 1365 O GLN A 86 21.004 11.543 12.148 1.00 0.00 O ATOM 1366 CB GLN A 86 18.093 12.857 12.749 1.00 0.00 C ATOM 1367 CG GLN A 86 16.886 13.740 12.435 1.00 0.00 C ATOM 1368 CD GLN A 86 17.219 14.915 11.529 1.00 0.00 C ATOM 1369 OE1 GLN A 86 18.333 15.446 11.553 1.00 0.00 O ATOM 1370 NE2 GLN A 86 16.255 15.329 10.722 1.00 0.00 N ATOM 0 H GLN A 86 16.927 11.623 10.929 1.00 0.00 H new ATOM 0 HA GLN A 86 19.354 13.150 11.029 1.00 0.00 H new ATOM 0 HB2 GLN A 86 17.764 12.011 13.353 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.799 13.426 13.354 1.00 0.00 H new ATOM 0 HG2 GLN A 86 16.114 13.133 11.962 1.00 0.00 H new ATOM 0 HG3 GLN A 86 16.468 14.117 13.368 1.00 0.00 H new ATOM 0 HE21 GLN A 86 15.347 14.864 10.731 1.00 0.00 H new ATOM 0 HE22 GLN A 86 16.420 16.113 10.091 1.00 0.00 H new ATOM 1379 N ALA A 87 19.361 10.012 11.962 1.00 0.00 N ATOM 1380 CA ALA A 87 20.191 8.875 12.348 1.00 0.00 C ATOM 1381 C ALA A 87 20.079 7.763 11.310 1.00 0.00 C ATOM 1382 O ALA A 87 20.061 6.578 11.649 1.00 0.00 O ATOM 1383 CB ALA A 87 19.767 8.369 13.723 1.00 0.00 C ATOM 0 H ALA A 87 18.396 9.765 11.743 1.00 0.00 H new ATOM 0 HA ALA A 87 21.232 9.194 12.397 1.00 0.00 H new ATOM 0 HB1 ALA A 87 20.390 7.520 14.006 1.00 0.00 H new ATOM 0 HB2 ALA A 87 19.885 9.167 14.457 1.00 0.00 H new ATOM 0 HB3 ALA A 87 18.723 8.058 13.690 1.00 0.00 H new ATOM 1389 N TRP A 88 20.022 8.156 10.041 1.00 0.00 N ATOM 1390 CA TRP A 88 19.840 7.205 8.948 1.00 0.00 C ATOM 1391 C TRP A 88 21.108 6.359 8.741 1.00 0.00 C ATOM 1392 O TRP A 88 22.156 6.634 9.333 1.00 0.00 O ATOM 1393 CB TRP A 88 19.449 7.948 7.659 1.00 0.00 C ATOM 1394 CG TRP A 88 18.747 7.072 6.664 1.00 0.00 C ATOM 1395 CD1 TRP A 88 17.632 6.316 6.893 1.00 0.00 C ATOM 1396 CD2 TRP A 88 19.096 6.862 5.291 1.00 0.00 C ATOM 1397 NE1 TRP A 88 17.280 5.638 5.756 1.00 0.00 N ATOM 1398 CE2 TRP A 88 18.160 5.957 4.759 1.00 0.00 C ATOM 1399 CE3 TRP A 88 20.111 7.344 4.460 1.00 0.00 C ATOM 1400 CZ2 TRP A 88 18.207 5.528 3.441 1.00 0.00 C ATOM 1401 CZ3 TRP A 88 20.155 6.915 3.147 1.00 0.00 C ATOM 1402 CH2 TRP A 88 19.210 6.015 2.650 1.00 0.00 C ATOM 0 H TRP A 88 20.099 9.129 9.743 1.00 0.00 H new ATOM 0 HA TRP A 88 19.030 6.524 9.209 1.00 0.00 H new ATOM 0 HB2 TRP A 88 18.803 8.789 7.913 1.00 0.00 H new ATOM 0 HB3 TRP A 88 20.346 8.363 7.200 1.00 0.00 H new ATOM 0 HD1 TRP A 88 17.105 6.261 7.834 1.00 0.00 H new ATOM 0 HE1 TRP A 88 16.490 4.999 5.667 1.00 0.00 H new ATOM 0 HE3 TRP A 88 20.847 8.039 4.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 17.477 4.833 3.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 20.933 7.282 2.494 1.00 0.00 H new ATOM 0 HH2 TRP A 88 19.273 5.697 1.620 1.00 0.00 H new ATOM 1413 N LEU A 89 21.006 5.336 7.894 1.00 0.00 N ATOM 1414 CA LEU A 89 22.082 4.354 7.713 1.00 0.00 C ATOM 1415 C LEU A 89 22.646 4.405 6.288 1.00 0.00 C ATOM 1416 O LEU A 89 23.110 3.395 5.760 1.00 0.00 O ATOM 1417 CB LEU A 89 21.564 2.932 8.027 1.00 0.00 C ATOM 1418 CG LEU A 89 20.475 2.374 7.081 1.00 0.00 C ATOM 1419 CD1 LEU A 89 20.285 0.876 7.299 1.00 0.00 C ATOM 1420 CD2 LEU A 89 19.144 3.102 7.268 1.00 0.00 C ATOM 0 H LEU A 89 20.183 5.162 7.317 1.00 0.00 H new ATOM 0 HA LEU A 89 22.886 4.604 8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 89 22.413 2.248 8.013 1.00 0.00 H new ATOM 0 HB3 LEU A 89 21.169 2.929 9.043 1.00 0.00 H new ATOM 0 HG LEU A 89 20.814 2.543 6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.514 0.505 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 89 21.223 0.357 7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 89 19.982 0.694 8.330 1.00 0.00 H new ATOM 0 HD21 LEU A 89 18.402 2.684 6.588 1.00 0.00 H new ATOM 0 HD22 LEU A 89 18.803 2.979 8.296 1.00 0.00 H new ATOM 0 HD23 LEU A 89 19.276 4.163 7.054 1.00 0.00 H new ATOM 1432 N GLY A 90 22.650 5.596 5.699 1.00 0.00 N ATOM 1433 CA GLY A 90 23.007 5.758 4.296 1.00 0.00 C ATOM 1434 C GLY A 90 24.318 5.101 3.898 1.00 0.00 C ATOM 1435 O GLY A 90 24.325 4.114 3.163 1.00 0.00 O ATOM 0 H GLY A 90 22.409 6.466 6.174 1.00 0.00 H new ATOM 0 HA2 GLY A 90 22.207 5.345 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 90 23.066 6.823 4.070 1.00 0.00 H new ATOM 1439 N GLU A 91 25.423 5.635 4.391 1.00 0.00 N ATOM 1440 CA GLU A 91 26.749 5.207 3.947 1.00 0.00 C ATOM 1441 C GLU A 91 26.982 3.731 4.292 1.00 0.00 C ATOM 1442 O GLU A 91 27.560 2.982 3.504 1.00 0.00 O ATOM 1443 CB GLU A 91 27.823 6.110 4.586 1.00 0.00 C ATOM 1444 CG GLU A 91 29.198 6.067 3.912 1.00 0.00 C ATOM 1445 CD GLU A 91 30.001 4.813 4.228 1.00 0.00 C ATOM 1446 OE1 GLU A 91 30.239 4.542 5.427 1.00 0.00 O ATOM 1447 OE2 GLU A 91 30.419 4.106 3.286 1.00 0.00 O ATOM 0 H GLU A 91 25.433 6.368 5.101 1.00 0.00 H new ATOM 0 HA GLU A 91 26.816 5.304 2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 91 27.463 7.139 4.575 1.00 0.00 H new ATOM 0 HB3 GLU A 91 27.940 5.824 5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 91 29.065 6.139 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 91 29.771 6.941 4.222 1.00 0.00 H new ATOM 1454 N GLU A 92 26.476 3.309 5.449 1.00 0.00 N ATOM 1455 CA GLU A 92 26.725 1.962 5.954 1.00 0.00 C ATOM 1456 C GLU A 92 25.820 0.934 5.280 1.00 0.00 C ATOM 1457 O GLU A 92 26.055 -0.273 5.394 1.00 0.00 O ATOM 1458 CB GLU A 92 26.539 1.920 7.478 1.00 0.00 C ATOM 1459 CG GLU A 92 25.145 2.315 7.947 1.00 0.00 C ATOM 1460 CD GLU A 92 25.020 2.340 9.461 1.00 0.00 C ATOM 1461 OE1 GLU A 92 24.800 1.268 10.063 1.00 0.00 O ATOM 1462 OE2 GLU A 92 25.139 3.432 10.061 1.00 0.00 O ATOM 0 H GLU A 92 25.890 3.883 6.055 1.00 0.00 H new ATOM 0 HA GLU A 92 27.757 1.703 5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 92 26.757 0.912 7.832 1.00 0.00 H new ATOM 0 HB3 GLU A 92 27.268 2.585 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 92 24.898 3.300 7.550 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.417 1.615 7.538 1.00 0.00 H new ATOM 1469 N VAL A 93 24.776 1.399 4.592 1.00 0.00 N ATOM 1470 CA VAL A 93 23.893 0.489 3.868 1.00 0.00 C ATOM 1471 C VAL A 93 24.278 0.441 2.385 1.00 0.00 C ATOM 1472 O VAL A 93 24.286 -0.629 1.777 1.00 0.00 O ATOM 1473 CB VAL A 93 22.387 0.857 4.033 1.00 0.00 C ATOM 1474 CG1 VAL A 93 21.998 2.066 3.191 1.00 0.00 C ATOM 1475 CG2 VAL A 93 21.496 -0.343 3.709 1.00 0.00 C ATOM 0 H VAL A 93 24.525 2.385 4.522 1.00 0.00 H new ATOM 0 HA VAL A 93 24.025 -0.501 4.305 1.00 0.00 H new ATOM 0 HB VAL A 93 22.233 1.130 5.077 1.00 0.00 H new ATOM 0 HG11 VAL A 93 20.941 2.286 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 93 22.593 2.927 3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 93 22.182 1.851 2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 93 20.450 -0.063 3.831 1.00 0.00 H new ATOM 0 HG22 VAL A 93 21.670 -0.658 2.680 1.00 0.00 H new ATOM 0 HG23 VAL A 93 21.733 -1.165 4.385 1.00 0.00 H new ATOM 1485 N LEU A 94 24.624 1.599 1.810 1.00 0.00 N ATOM 1486 CA LEU A 94 25.063 1.663 0.410 1.00 0.00 C ATOM 1487 C LEU A 94 26.398 0.943 0.233 1.00 0.00 C ATOM 1488 O LEU A 94 26.706 0.445 -0.849 1.00 0.00 O ATOM 1489 CB LEU A 94 25.188 3.119 -0.086 1.00 0.00 C ATOM 1490 CG LEU A 94 23.897 3.770 -0.632 1.00 0.00 C ATOM 1491 CD1 LEU A 94 23.237 2.877 -1.681 1.00 0.00 C ATOM 1492 CD2 LEU A 94 22.914 4.095 0.485 1.00 0.00 C ATOM 0 H LEU A 94 24.609 2.500 2.289 1.00 0.00 H new ATOM 0 HA LEU A 94 24.301 1.165 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 94 25.558 3.730 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 94 25.945 3.149 -0.870 1.00 0.00 H new ATOM 0 HG LEU A 94 24.184 4.709 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 94 22.331 3.357 -2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 94 23.927 2.719 -2.510 1.00 0.00 H new ATOM 0 HD13 LEU A 94 22.982 1.917 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 94 22.019 4.551 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 94 22.641 3.178 1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 94 23.377 4.789 1.187 1.00 0.00 H new ATOM 1504 N ALA A 95 27.184 0.907 1.306 1.00 0.00 N ATOM 1505 CA ALA A 95 28.473 0.219 1.304 1.00 0.00 C ATOM 1506 C ALA A 95 28.317 -1.252 0.913 1.00 0.00 C ATOM 1507 O ALA A 95 29.192 -1.828 0.261 1.00 0.00 O ATOM 1508 CB ALA A 95 29.131 0.341 2.674 1.00 0.00 C ATOM 0 H ALA A 95 26.949 1.350 2.194 1.00 0.00 H new ATOM 0 HA ALA A 95 29.112 0.694 0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 95 30.091 -0.175 2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 95 29.287 1.394 2.910 1.00 0.00 H new ATOM 0 HB3 ALA A 95 28.486 -0.109 3.429 1.00 0.00 H new ATOM 1514 N GLU A 96 27.198 -1.852 1.322 1.00 0.00 N ATOM 1515 CA GLU A 96 26.892 -3.250 1.017 1.00 0.00 C ATOM 1516 C GLU A 96 25.382 -3.416 0.830 1.00 0.00 C ATOM 1517 O GLU A 96 24.632 -3.375 1.809 1.00 0.00 O ATOM 1518 CB GLU A 96 27.371 -4.175 2.152 1.00 0.00 C ATOM 1519 CG GLU A 96 28.880 -4.166 2.386 1.00 0.00 C ATOM 1520 CD GLU A 96 29.300 -5.099 3.511 1.00 0.00 C ATOM 1521 OE1 GLU A 96 29.326 -6.328 3.289 1.00 0.00 O ATOM 1522 OE2 GLU A 96 29.595 -4.611 4.627 1.00 0.00 O ATOM 0 H GLU A 96 26.479 -1.383 1.873 1.00 0.00 H new ATOM 0 HA GLU A 96 27.412 -3.525 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 96 26.872 -3.883 3.076 1.00 0.00 H new ATOM 0 HB3 GLU A 96 27.057 -5.195 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 96 29.389 -4.458 1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 96 29.202 -3.151 2.620 1.00 0.00 H new ATOM 1529 N PRO A 97 24.902 -3.605 -0.416 1.00 0.00 N ATOM 1530 CA PRO A 97 23.465 -3.705 -0.685 1.00 0.00 C ATOM 1531 C PRO A 97 22.862 -4.986 -0.113 1.00 0.00 C ATOM 1532 O PRO A 97 23.576 -5.947 0.182 1.00 0.00 O ATOM 1533 CB PRO A 97 23.373 -3.693 -2.213 1.00 0.00 C ATOM 1534 CG PRO A 97 24.700 -4.192 -2.681 1.00 0.00 C ATOM 1535 CD PRO A 97 25.709 -3.758 -1.644 1.00 0.00 C ATOM 0 HA PRO A 97 22.906 -2.894 -0.217 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.564 -4.333 -2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 97 23.173 -2.690 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.692 -5.277 -2.785 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.947 -3.780 -3.659 1.00 0.00 H new ATOM 0 HD2 PRO A 97 26.497 -4.500 -1.516 1.00 0.00 H new ATOM 0 HD3 PRO A 97 26.194 -2.823 -1.924 1.00 0.00 H new ATOM 1543 N ARG A 98 21.544 -4.988 0.038 1.00 0.00 N ATOM 1544 CA ARG A 98 20.834 -6.106 0.641 1.00 0.00 C ATOM 1545 C ARG A 98 19.344 -6.009 0.308 1.00 0.00 C ATOM 1546 O ARG A 98 18.830 -4.909 0.105 1.00 0.00 O ATOM 1547 CB ARG A 98 21.066 -6.090 2.164 1.00 0.00 C ATOM 1548 CG ARG A 98 20.532 -4.834 2.855 1.00 0.00 C ATOM 1549 CD ARG A 98 21.284 -4.524 4.145 1.00 0.00 C ATOM 1550 NE ARG A 98 22.672 -4.129 3.881 1.00 0.00 N ATOM 1551 CZ ARG A 98 23.540 -3.738 4.817 1.00 0.00 C ATOM 1552 NH1 ARG A 98 23.181 -3.683 6.094 1.00 0.00 N ATOM 1553 NH2 ARG A 98 24.769 -3.389 4.466 1.00 0.00 N ATOM 0 H ARG A 98 20.941 -4.219 -0.253 1.00 0.00 H new ATOM 0 HA ARG A 98 21.209 -7.048 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.590 -6.966 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 98 22.135 -6.175 2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.613 -3.985 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.473 -4.965 3.076 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.773 -3.724 4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.272 -5.400 4.793 1.00 0.00 H new ATOM 0 HE ARG A 98 22.997 -4.155 2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 98 22.233 -3.941 6.369 1.00 0.00 H new ATOM 0 HH12 ARG A 98 23.853 -3.383 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 98 25.047 -3.420 3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 98 25.437 -3.089 5.177 1.00 0.00 H new ATOM 1567 N PRO A 99 18.630 -7.151 0.241 1.00 0.00 N ATOM 1568 CA PRO A 99 17.193 -7.171 -0.082 1.00 0.00 C ATOM 1569 C PRO A 99 16.374 -6.405 0.956 1.00 0.00 C ATOM 1570 O PRO A 99 15.272 -5.932 0.679 1.00 0.00 O ATOM 1571 CB PRO A 99 16.838 -8.669 -0.069 1.00 0.00 C ATOM 1572 CG PRO A 99 17.905 -9.302 0.760 1.00 0.00 C ATOM 1573 CD PRO A 99 19.153 -8.510 0.485 1.00 0.00 C ATOM 0 HA PRO A 99 16.973 -6.690 -1.035 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.850 -8.839 0.360 1.00 0.00 H new ATOM 0 HB3 PRO A 99 16.823 -9.081 -1.078 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.648 -9.273 1.819 1.00 0.00 H new ATOM 0 HG3 PRO A 99 18.039 -10.350 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 99 19.841 -8.533 1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 99 19.695 -8.896 -0.378 1.00 0.00 H new ATOM 1581 N ASP A 100 16.947 -6.267 2.146 1.00 0.00 N ATOM 1582 CA ASP A 100 16.296 -5.563 3.252 1.00 0.00 C ATOM 1583 C ASP A 100 16.924 -4.176 3.380 1.00 0.00 C ATOM 1584 O ASP A 100 17.174 -3.679 4.478 1.00 0.00 O ATOM 1585 CB ASP A 100 16.459 -6.365 4.559 1.00 0.00 C ATOM 1586 CG ASP A 100 15.312 -6.149 5.543 1.00 0.00 C ATOM 1587 OD1 ASP A 100 14.842 -5.004 5.693 1.00 0.00 O ATOM 1588 OD2 ASP A 100 14.868 -7.137 6.167 1.00 0.00 O ATOM 0 H ASP A 100 17.870 -6.636 2.374 1.00 0.00 H new ATOM 0 HA ASP A 100 15.229 -5.459 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 100 16.530 -7.426 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.397 -6.083 5.037 1.00 0.00 H new ATOM 1593 N MET A 101 17.172 -3.563 2.226 1.00 0.00 N ATOM 1594 CA MET A 101 17.894 -2.295 2.139 1.00 0.00 C ATOM 1595 C MET A 101 17.189 -1.192 2.931 1.00 0.00 C ATOM 1596 O MET A 101 17.671 -0.760 3.978 1.00 0.00 O ATOM 1597 CB MET A 101 18.021 -1.878 0.666 1.00 0.00 C ATOM 1598 CG MET A 101 19.157 -0.908 0.381 1.00 0.00 C ATOM 1599 SD MET A 101 20.776 -1.694 0.501 1.00 0.00 S ATOM 1600 CE MET A 101 21.839 -0.358 -0.038 1.00 0.00 C ATOM 0 H MET A 101 16.878 -3.932 1.322 1.00 0.00 H new ATOM 0 HA MET A 101 18.884 -2.437 2.572 1.00 0.00 H new ATOM 0 HB2 MET A 101 18.163 -2.772 0.059 1.00 0.00 H new ATOM 0 HB3 MET A 101 17.083 -1.423 0.348 1.00 0.00 H new ATOM 0 HG2 MET A 101 19.032 -0.489 -0.618 1.00 0.00 H new ATOM 0 HG3 MET A 101 19.106 -0.076 1.084 1.00 0.00 H new ATOM 0 HE1 MET A 101 22.879 -0.616 0.164 1.00 0.00 H new ATOM 0 HE2 MET A 101 21.707 -0.197 -1.108 1.00 0.00 H new ATOM 0 HE3 MET A 101 21.580 0.553 0.501 1.00 0.00 H new ATOM 1610 N PHE A 102 16.038 -0.752 2.425 1.00 0.00 N ATOM 1611 CA PHE A 102 15.295 0.357 3.026 1.00 0.00 C ATOM 1612 C PHE A 102 13.891 -0.098 3.420 1.00 0.00 C ATOM 1613 O PHE A 102 12.966 0.713 3.499 1.00 0.00 O ATOM 1614 CB PHE A 102 15.192 1.531 2.034 1.00 0.00 C ATOM 1615 CG PHE A 102 16.505 1.950 1.413 1.00 0.00 C ATOM 1616 CD1 PHE A 102 17.598 2.272 2.204 1.00 0.00 C ATOM 1617 CD2 PHE A 102 16.637 2.033 0.031 1.00 0.00 C ATOM 1618 CE1 PHE A 102 18.794 2.664 1.631 1.00 0.00 C ATOM 1619 CE2 PHE A 102 17.831 2.425 -0.545 1.00 0.00 C ATOM 1620 CZ PHE A 102 18.911 2.740 0.256 1.00 0.00 C ATOM 0 H PHE A 102 15.597 -1.149 1.595 1.00 0.00 H new ATOM 0 HA PHE A 102 15.830 0.685 3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 102 14.500 1.256 1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.760 2.388 2.550 1.00 0.00 H new ATOM 0 HD1 PHE A 102 17.514 2.216 3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.796 1.788 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 102 19.637 2.911 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.919 2.485 -1.620 1.00 0.00 H new ATOM 0 HZ PHE A 102 19.845 3.045 -0.191 1.00 0.00 H new ATOM 1630 N ARG A 103 13.737 -1.393 3.685 1.00 0.00 N ATOM 1631 CA ARG A 103 12.421 -1.962 3.964 1.00 0.00 C ATOM 1632 C ARG A 103 11.844 -1.386 5.259 1.00 0.00 C ATOM 1633 O ARG A 103 10.631 -1.214 5.383 1.00 0.00 O ATOM 1634 CB ARG A 103 12.492 -3.494 4.039 1.00 0.00 C ATOM 1635 CG ARG A 103 11.124 -4.161 4.172 1.00 0.00 C ATOM 1636 CD ARG A 103 11.226 -5.681 4.176 1.00 0.00 C ATOM 1637 NE ARG A 103 12.009 -6.181 5.310 1.00 0.00 N ATOM 1638 CZ ARG A 103 11.611 -7.162 6.122 1.00 0.00 C ATOM 1639 NH1 ARG A 103 10.427 -7.742 5.946 1.00 0.00 N ATOM 1640 NH2 ARG A 103 12.404 -7.566 7.102 1.00 0.00 N ATOM 0 H ARG A 103 14.503 -2.066 3.712 1.00 0.00 H new ATOM 0 HA ARG A 103 11.756 -1.692 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 103 12.986 -3.871 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 103 13.111 -3.780 4.889 1.00 0.00 H new ATOM 0 HG2 ARG A 103 10.647 -3.828 5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.484 -3.843 3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.225 -6.110 4.211 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.684 -6.015 3.245 1.00 0.00 H new ATOM 0 HE ARG A 103 12.916 -5.751 5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.818 -7.437 5.187 1.00 0.00 H new ATOM 0 HH12 ARG A 103 10.128 -8.491 6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.315 -7.128 7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.104 -8.316 7.725 1.00 0.00 H new ATOM 1654 N ALA A 104 12.718 -1.078 6.210 1.00 0.00 N ATOM 1655 CA ALA A 104 12.301 -0.434 7.453 1.00 0.00 C ATOM 1656 C ALA A 104 11.660 0.921 7.150 1.00 0.00 C ATOM 1657 O ALA A 104 10.586 1.250 7.660 1.00 0.00 O ATOM 1658 CB ALA A 104 13.495 -0.271 8.390 1.00 0.00 C ATOM 0 H ALA A 104 13.719 -1.263 6.146 1.00 0.00 H new ATOM 0 HA ALA A 104 11.562 -1.063 7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 104 13.170 0.210 9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.914 -1.251 8.620 1.00 0.00 H new ATOM 0 HB3 ALA A 104 14.255 0.344 7.908 1.00 0.00 H new ATOM 1664 N GLN A 105 12.322 1.683 6.284 1.00 0.00 N ATOM 1665 CA GLN A 105 11.839 2.995 5.866 1.00 0.00 C ATOM 1666 C GLN A 105 10.604 2.852 4.975 1.00 0.00 C ATOM 1667 O GLN A 105 9.754 3.744 4.916 1.00 0.00 O ATOM 1668 CB GLN A 105 12.948 3.764 5.129 1.00 0.00 C ATOM 1669 CG GLN A 105 14.109 4.204 6.026 1.00 0.00 C ATOM 1670 CD GLN A 105 14.915 3.047 6.598 1.00 0.00 C ATOM 1671 OE1 GLN A 105 15.031 1.987 5.983 1.00 0.00 O ATOM 1672 NE2 GLN A 105 15.481 3.246 7.780 1.00 0.00 N ATOM 0 H GLN A 105 13.205 1.409 5.854 1.00 0.00 H new ATOM 0 HA GLN A 105 11.558 3.560 6.755 1.00 0.00 H new ATOM 0 HB2 GLN A 105 13.340 3.136 4.329 1.00 0.00 H new ATOM 0 HB3 GLN A 105 12.513 4.646 4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 105 14.774 4.850 5.453 1.00 0.00 H new ATOM 0 HG3 GLN A 105 13.715 4.802 6.848 1.00 0.00 H new ATOM 0 HE21 GLN A 105 15.362 4.139 8.259 1.00 0.00 H new ATOM 0 HE22 GLN A 105 16.036 2.506 8.211 1.00 0.00 H new ATOM 1681 N GLN A 106 10.514 1.716 4.289 1.00 0.00 N ATOM 1682 CA GLN A 106 9.353 1.395 3.463 1.00 0.00 C ATOM 1683 C GLN A 106 8.097 1.342 4.331 1.00 0.00 C ATOM 1684 O GLN A 106 7.102 2.018 4.056 1.00 0.00 O ATOM 1685 CB GLN A 106 9.567 0.046 2.762 1.00 0.00 C ATOM 1686 CG GLN A 106 8.378 -0.424 1.932 1.00 0.00 C ATOM 1687 CD GLN A 106 8.541 -1.840 1.401 1.00 0.00 C ATOM 1688 OE1 GLN A 106 7.562 -2.564 1.225 1.00 0.00 O ATOM 1689 NE2 GLN A 106 9.778 -2.246 1.142 1.00 0.00 N ATOM 0 H GLN A 106 11.237 0.997 4.289 1.00 0.00 H new ATOM 0 HA GLN A 106 9.228 2.170 2.707 1.00 0.00 H new ATOM 0 HB2 GLN A 106 10.441 0.121 2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.792 -0.710 3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.475 -0.373 2.541 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.236 0.258 1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.565 -1.617 1.301 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.941 -3.187 0.784 1.00 0.00 H new ATOM 1698 N LEU A 107 8.162 0.549 5.398 1.00 0.00 N ATOM 1699 CA LEU A 107 7.038 0.398 6.317 1.00 0.00 C ATOM 1700 C LEU A 107 6.860 1.650 7.176 1.00 0.00 C ATOM 1701 O LEU A 107 5.796 1.862 7.755 1.00 0.00 O ATOM 1702 CB LEU A 107 7.211 -0.851 7.198 1.00 0.00 C ATOM 1703 CG LEU A 107 6.850 -2.193 6.526 1.00 0.00 C ATOM 1704 CD1 LEU A 107 5.387 -2.205 6.090 1.00 0.00 C ATOM 1705 CD2 LEU A 107 7.769 -2.486 5.340 1.00 0.00 C ATOM 0 H LEU A 107 8.984 -0.000 5.647 1.00 0.00 H new ATOM 0 HA LEU A 107 6.135 0.268 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.248 -0.899 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 107 6.595 -0.734 8.090 1.00 0.00 H new ATOM 0 HG LEU A 107 6.995 -2.982 7.264 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.156 -3.160 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.747 -2.065 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.213 -1.398 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 107 7.489 -3.438 4.889 1.00 0.00 H new ATOM 0 HD22 LEU A 107 7.673 -1.691 4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 107 8.802 -2.538 5.684 1.00 0.00 H new ATOM 1717 N GLN A 108 7.906 2.471 7.255 1.00 0.00 N ATOM 1718 CA GLN A 108 7.813 3.773 7.912 1.00 0.00 C ATOM 1719 C GLN A 108 6.760 4.622 7.200 1.00 0.00 C ATOM 1720 O GLN A 108 5.810 5.109 7.816 1.00 0.00 O ATOM 1721 CB GLN A 108 9.175 4.483 7.879 1.00 0.00 C ATOM 1722 CG GLN A 108 9.208 5.819 8.619 1.00 0.00 C ATOM 1723 CD GLN A 108 9.132 5.659 10.126 1.00 0.00 C ATOM 1724 OE1 GLN A 108 8.047 5.628 10.708 1.00 0.00 O ATOM 1725 NE2 GLN A 108 10.285 5.561 10.769 1.00 0.00 N ATOM 0 H GLN A 108 8.827 2.257 6.872 1.00 0.00 H new ATOM 0 HA GLN A 108 7.523 3.632 8.953 1.00 0.00 H new ATOM 0 HB2 GLN A 108 9.926 3.823 8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.459 4.650 6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.124 6.350 8.360 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.376 6.437 8.281 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.163 5.591 10.250 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.296 5.455 11.783 1.00 0.00 H new ATOM 1734 N ILE A 109 6.930 4.766 5.886 1.00 0.00 N ATOM 1735 CA ILE A 109 5.980 5.495 5.049 1.00 0.00 C ATOM 1736 C ILE A 109 4.617 4.808 5.058 1.00 0.00 C ATOM 1737 O ILE A 109 3.578 5.457 5.218 1.00 0.00 O ATOM 1738 CB ILE A 109 6.492 5.604 3.588 1.00 0.00 C ATOM 1739 CG1 ILE A 109 7.716 6.529 3.519 1.00 0.00 C ATOM 1740 CG2 ILE A 109 5.389 6.094 2.648 1.00 0.00 C ATOM 1741 CD1 ILE A 109 7.431 7.957 3.942 1.00 0.00 C ATOM 0 H ILE A 109 7.725 4.383 5.375 1.00 0.00 H new ATOM 0 HA ILE A 109 5.880 6.498 5.463 1.00 0.00 H new ATOM 0 HB ILE A 109 6.789 4.608 3.259 1.00 0.00 H new ATOM 0 HG12 ILE A 109 8.503 6.122 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.100 6.532 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.779 6.160 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.554 5.394 2.671 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.047 7.078 2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 109 8.344 8.548 3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.667 8.384 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.077 7.967 4.973 1.00 0.00 H new ATOM 1753 N PHE A 110 4.640 3.489 4.897 1.00 0.00 N ATOM 1754 CA PHE A 110 3.420 2.692 4.856 1.00 0.00 C ATOM 1755 C PHE A 110 2.567 2.942 6.101 1.00 0.00 C ATOM 1756 O PHE A 110 1.411 3.355 6.000 1.00 0.00 O ATOM 1757 CB PHE A 110 3.770 1.200 4.736 1.00 0.00 C ATOM 1758 CG PHE A 110 2.564 0.305 4.621 1.00 0.00 C ATOM 1759 CD1 PHE A 110 2.025 0.011 3.379 1.00 0.00 C ATOM 1760 CD2 PHE A 110 1.963 -0.234 5.751 1.00 0.00 C ATOM 1761 CE1 PHE A 110 0.914 -0.796 3.264 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.852 -1.045 5.640 1.00 0.00 C ATOM 1763 CZ PHE A 110 0.325 -1.324 4.394 1.00 0.00 C ATOM 0 H PHE A 110 5.497 2.946 4.792 1.00 0.00 H new ATOM 0 HA PHE A 110 2.840 2.990 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 110 4.405 1.054 3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 110 4.352 0.901 5.607 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.481 0.420 2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 110 2.370 -0.016 6.728 1.00 0.00 H new ATOM 0 HE1 PHE A 110 0.504 -1.015 2.289 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.395 -1.461 6.526 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.547 -1.955 4.305 1.00 0.00 H new ATOM 1773 N ASN A 111 3.162 2.722 7.270 1.00 0.00 N ATOM 1774 CA ASN A 111 2.446 2.840 8.542 1.00 0.00 C ATOM 1775 C ASN A 111 2.106 4.297 8.850 1.00 0.00 C ATOM 1776 O ASN A 111 1.221 4.579 9.663 1.00 0.00 O ATOM 1777 CB ASN A 111 3.275 2.227 9.681 1.00 0.00 C ATOM 1778 CG ASN A 111 3.362 0.710 9.588 1.00 0.00 C ATOM 1779 OD1 ASN A 111 2.412 0.046 9.167 1.00 0.00 O ATOM 1780 ND2 ASN A 111 4.505 0.149 9.964 1.00 0.00 N ATOM 0 H ASN A 111 4.143 2.460 7.365 1.00 0.00 H new ATOM 0 HA ASN A 111 1.510 2.289 8.456 1.00 0.00 H new ATOM 0 HB2 ASN A 111 4.281 2.647 9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 111 2.833 2.504 10.638 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.618 -0.863 9.909 1.00 0.00 H new ATOM 0 HD22 ASN A 111 5.270 0.730 10.307 1.00 0.00 H new ATOM 1787 N LEU A 112 2.808 5.217 8.198 1.00 0.00 N ATOM 1788 CA LEU A 112 2.538 6.641 8.354 1.00 0.00 C ATOM 1789 C LEU A 112 1.173 6.968 7.742 1.00 0.00 C ATOM 1790 O LEU A 112 0.258 7.417 8.436 1.00 0.00 O ATOM 1791 CB LEU A 112 3.659 7.468 7.687 1.00 0.00 C ATOM 1792 CG LEU A 112 3.763 8.955 8.095 1.00 0.00 C ATOM 1793 CD1 LEU A 112 5.062 9.562 7.567 1.00 0.00 C ATOM 1794 CD2 LEU A 112 2.567 9.768 7.597 1.00 0.00 C ATOM 0 H LEU A 112 3.570 5.001 7.555 1.00 0.00 H new ATOM 0 HA LEU A 112 2.516 6.898 9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.612 6.988 7.907 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.520 7.421 6.607 1.00 0.00 H new ATOM 0 HG LEU A 112 3.762 8.994 9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 112 5.121 10.610 7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 112 5.912 9.020 7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.082 9.490 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.680 10.807 7.905 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.519 9.715 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.649 9.361 8.021 1.00 0.00 H new ATOM 1806 N MET A 113 1.037 6.704 6.445 1.00 0.00 N ATOM 1807 CA MET A 113 -0.187 7.034 5.710 1.00 0.00 C ATOM 1808 C MET A 113 -1.308 6.055 6.035 1.00 0.00 C ATOM 1809 O MET A 113 -2.486 6.358 5.828 1.00 0.00 O ATOM 1810 CB MET A 113 0.078 7.038 4.202 1.00 0.00 C ATOM 1811 CG MET A 113 1.160 8.023 3.779 1.00 0.00 C ATOM 1812 SD MET A 113 0.720 9.727 4.186 1.00 0.00 S ATOM 1813 CE MET A 113 2.223 10.600 3.754 1.00 0.00 C ATOM 0 H MET A 113 1.760 6.261 5.878 1.00 0.00 H new ATOM 0 HA MET A 113 -0.501 8.030 6.021 1.00 0.00 H new ATOM 0 HB2 MET A 113 0.368 6.035 3.889 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.847 7.280 3.679 1.00 0.00 H new ATOM 0 HG2 MET A 113 2.098 7.764 4.270 1.00 0.00 H new ATOM 0 HG3 MET A 113 1.328 7.938 2.705 1.00 0.00 H new ATOM 0 HE1 MET A 113 2.521 11.243 4.582 1.00 0.00 H new ATOM 0 HE2 MET A 113 3.016 9.880 3.549 1.00 0.00 H new ATOM 0 HE3 MET A 113 2.048 11.209 2.867 1.00 0.00 H new ATOM 1823 N LYS A 114 -0.933 4.889 6.553 1.00 0.00 N ATOM 1824 CA LYS A 114 -1.891 3.845 6.921 1.00 0.00 C ATOM 1825 C LYS A 114 -2.913 4.367 7.936 1.00 0.00 C ATOM 1826 O LYS A 114 -4.006 3.813 8.076 1.00 0.00 O ATOM 1827 CB LYS A 114 -1.141 2.636 7.502 1.00 0.00 C ATOM 1828 CG LYS A 114 -2.026 1.433 7.801 1.00 0.00 C ATOM 1829 CD LYS A 114 -1.218 0.248 8.322 1.00 0.00 C ATOM 1830 CE LYS A 114 -2.102 -0.960 8.610 1.00 0.00 C ATOM 1831 NZ LYS A 114 -3.116 -0.666 9.657 1.00 0.00 N ATOM 0 H LYS A 114 0.040 4.639 6.730 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.431 3.541 6.024 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -0.363 2.334 6.800 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -0.640 2.941 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.779 1.711 8.538 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.558 1.140 6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -0.459 -0.024 7.589 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.693 0.539 9.232 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.605 -1.269 7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.481 -1.797 8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.571 -1.551 9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.652 -0.220 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.835 -0.021 9.272 1.00 0.00 H new ATOM 1845 N PHE A 115 -2.551 5.440 8.634 1.00 0.00 N ATOM 1846 CA PHE A 115 -3.402 6.014 9.671 1.00 0.00 C ATOM 1847 C PHE A 115 -3.738 7.479 9.351 1.00 0.00 C ATOM 1848 O PHE A 115 -4.186 8.226 10.221 1.00 0.00 O ATOM 1849 CB PHE A 115 -2.689 5.893 11.032 1.00 0.00 C ATOM 1850 CG PHE A 115 -3.546 6.250 12.225 1.00 0.00 C ATOM 1851 CD1 PHE A 115 -4.640 5.468 12.570 1.00 0.00 C ATOM 1852 CD2 PHE A 115 -3.258 7.368 12.999 1.00 0.00 C ATOM 1853 CE1 PHE A 115 -5.426 5.792 13.659 1.00 0.00 C ATOM 1854 CE2 PHE A 115 -4.042 7.695 14.088 1.00 0.00 C ATOM 1855 CZ PHE A 115 -5.127 6.906 14.418 1.00 0.00 C ATOM 0 H PHE A 115 -1.668 5.932 8.498 1.00 0.00 H new ATOM 0 HA PHE A 115 -4.343 5.466 9.712 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.332 4.870 11.151 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.811 6.538 11.026 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.880 4.596 11.980 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.411 7.988 12.746 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -6.274 5.174 13.916 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.807 8.567 14.681 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.741 7.160 15.269 1.00 0.00 H new ATOM 1865 N ASP A 116 -3.556 7.879 8.090 1.00 0.00 N ATOM 1866 CA ASP A 116 -3.815 9.265 7.684 1.00 0.00 C ATOM 1867 C ASP A 116 -4.459 9.318 6.302 1.00 0.00 C ATOM 1868 O ASP A 116 -5.681 9.252 6.185 1.00 0.00 O ATOM 1869 CB ASP A 116 -2.528 10.111 7.699 1.00 0.00 C ATOM 1870 CG ASP A 116 -2.794 11.578 7.352 1.00 0.00 C ATOM 1871 OD1 ASP A 116 -2.814 11.924 6.144 1.00 0.00 O ATOM 1872 OD2 ASP A 116 -3.000 12.384 8.285 1.00 0.00 O ATOM 0 H ASP A 116 -3.233 7.270 7.338 1.00 0.00 H new ATOM 0 HA ASP A 116 -4.508 9.688 8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -2.068 10.051 8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -1.814 9.695 6.988 1.00 0.00 H new ATOM 1877 N SER A 117 -3.636 9.404 5.256 1.00 0.00 N ATOM 1878 CA SER A 117 -4.137 9.562 3.895 1.00 0.00 C ATOM 1879 C SER A 117 -4.972 8.356 3.478 1.00 0.00 C ATOM 1880 O SER A 117 -5.984 8.512 2.795 1.00 0.00 O ATOM 1881 CB SER A 117 -2.980 9.801 2.920 1.00 0.00 C ATOM 1882 OG SER A 117 -1.961 8.839 3.095 1.00 0.00 O ATOM 0 H SER A 117 -2.619 9.367 5.328 1.00 0.00 H new ATOM 0 HA SER A 117 -4.786 10.437 3.868 1.00 0.00 H new ATOM 0 HB2 SER A 117 -3.350 9.761 1.895 1.00 0.00 H new ATOM 0 HB3 SER A 117 -2.572 10.800 3.073 1.00 0.00 H new ATOM 0 HG SER A 117 -1.302 9.174 3.739 1.00 0.00 H new ATOM 1888 N TYR A 118 -4.552 7.155 3.887 1.00 0.00 N ATOM 1889 CA TYR A 118 -5.372 5.957 3.687 1.00 0.00 C ATOM 1890 C TYR A 118 -6.773 6.161 4.266 1.00 0.00 C ATOM 1891 O TYR A 118 -7.773 6.093 3.544 1.00 0.00 O ATOM 1892 CB TYR A 118 -4.719 4.730 4.339 1.00 0.00 C ATOM 1893 CG TYR A 118 -5.652 3.532 4.456 1.00 0.00 C ATOM 1894 CD1 TYR A 118 -6.165 2.906 3.322 1.00 0.00 C ATOM 1895 CD2 TYR A 118 -6.031 3.039 5.701 1.00 0.00 C ATOM 1896 CE1 TYR A 118 -7.022 1.825 3.430 1.00 0.00 C ATOM 1897 CE2 TYR A 118 -6.887 1.960 5.814 1.00 0.00 C ATOM 1898 CZ TYR A 118 -7.379 1.357 4.677 1.00 0.00 C ATOM 1899 OH TYR A 118 -8.230 0.281 4.790 1.00 0.00 O ATOM 0 H TYR A 118 -3.660 6.987 4.353 1.00 0.00 H new ATOM 0 HA TYR A 118 -5.451 5.784 2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.844 4.442 3.757 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -4.365 5.003 5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.889 3.270 2.343 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.649 3.508 6.596 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -7.410 1.350 2.541 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.169 1.591 6.789 1.00 0.00 H new ATOM 0 HH TYR A 118 -8.426 -0.076 3.899 1.00 0.00 H new ATOM 1909 N ALA A 119 -6.831 6.432 5.569 1.00 0.00 N ATOM 1910 CA ALA A 119 -8.106 6.587 6.271 1.00 0.00 C ATOM 1911 C ALA A 119 -8.899 7.759 5.697 1.00 0.00 C ATOM 1912 O ALA A 119 -10.127 7.740 5.656 1.00 0.00 O ATOM 1913 CB ALA A 119 -7.865 6.782 7.765 1.00 0.00 C ATOM 0 H ALA A 119 -6.009 6.549 6.161 1.00 0.00 H new ATOM 0 HA ALA A 119 -8.692 5.679 6.129 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -8.821 6.896 8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -7.341 5.914 8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.261 7.675 7.922 1.00 0.00 H new ATOM 1919 N ARG A 120 -8.176 8.769 5.237 1.00 0.00 N ATOM 1920 CA ARG A 120 -8.772 9.981 4.689 1.00 0.00 C ATOM 1921 C ARG A 120 -9.353 9.724 3.294 1.00 0.00 C ATOM 1922 O ARG A 120 -10.439 10.210 2.963 1.00 0.00 O ATOM 1923 CB ARG A 120 -7.707 11.092 4.673 1.00 0.00 C ATOM 1924 CG ARG A 120 -8.086 12.350 3.903 1.00 0.00 C ATOM 1925 CD ARG A 120 -7.171 13.527 4.256 1.00 0.00 C ATOM 1926 NE ARG A 120 -5.753 13.142 4.350 1.00 0.00 N ATOM 1927 CZ ARG A 120 -4.811 13.505 3.472 1.00 0.00 C ATOM 1928 NH1 ARG A 120 -5.143 14.169 2.376 1.00 0.00 N ATOM 1929 NH2 ARG A 120 -3.537 13.192 3.690 1.00 0.00 N ATOM 0 H ARG A 120 -7.156 8.772 5.233 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.604 10.301 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -7.482 11.371 5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.790 10.687 4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.029 12.153 2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -9.120 12.614 4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -7.282 14.306 3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.490 13.956 5.206 1.00 0.00 H new ATOM 0 HE ARG A 120 -5.470 12.559 5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.119 14.405 2.199 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -4.422 14.444 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -3.275 12.674 4.529 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -2.821 13.470 3.019 1.00 0.00 H new ATOM 1943 N PHE A 121 -8.649 8.924 2.496 1.00 0.00 N ATOM 1944 CA PHE A 121 -9.070 8.626 1.126 1.00 0.00 C ATOM 1945 C PHE A 121 -10.388 7.855 1.116 1.00 0.00 C ATOM 1946 O PHE A 121 -11.305 8.188 0.366 1.00 0.00 O ATOM 1947 CB PHE A 121 -7.983 7.827 0.388 1.00 0.00 C ATOM 1948 CG PHE A 121 -8.383 7.399 -1.007 1.00 0.00 C ATOM 1949 CD1 PHE A 121 -8.448 8.323 -2.042 1.00 0.00 C ATOM 1950 CD2 PHE A 121 -8.698 6.073 -1.280 1.00 0.00 C ATOM 1951 CE1 PHE A 121 -8.819 7.932 -3.317 1.00 0.00 C ATOM 1952 CE2 PHE A 121 -9.069 5.681 -2.551 1.00 0.00 C ATOM 1953 CZ PHE A 121 -9.129 6.610 -3.571 1.00 0.00 C ATOM 0 H PHE A 121 -7.780 8.468 2.775 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.221 9.573 0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -7.078 8.432 0.327 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.736 6.941 0.973 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.206 9.358 -1.850 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -8.652 5.340 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -8.866 8.660 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -9.312 4.647 -2.747 1.00 0.00 H new ATOM 0 HZ PHE A 121 -9.418 6.304 -4.566 1.00 0.00 H new ATOM 1963 N VAL A 122 -10.485 6.838 1.969 1.00 0.00 N ATOM 1964 CA VAL A 122 -11.682 5.998 2.028 1.00 0.00 C ATOM 1965 C VAL A 122 -12.877 6.770 2.597 1.00 0.00 C ATOM 1966 O VAL A 122 -14.008 6.278 2.589 1.00 0.00 O ATOM 1967 CB VAL A 122 -11.447 4.710 2.863 1.00 0.00 C ATOM 1968 CG1 VAL A 122 -10.348 3.852 2.242 1.00 0.00 C ATOM 1969 CG2 VAL A 122 -11.112 5.048 4.314 1.00 0.00 C ATOM 0 H VAL A 122 -9.752 6.575 2.628 1.00 0.00 H new ATOM 0 HA VAL A 122 -11.906 5.705 1.002 1.00 0.00 H new ATOM 0 HB VAL A 122 -12.373 4.136 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -10.202 2.956 2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.637 3.566 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.419 4.421 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -10.953 4.127 4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -10.207 5.654 4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -11.937 5.605 4.758 1.00 0.00 H new ATOM 1979 N LYS A 123 -12.620 7.983 3.087 1.00 0.00 N ATOM 1980 CA LYS A 123 -13.674 8.849 3.620 1.00 0.00 C ATOM 1981 C LYS A 123 -13.916 10.029 2.680 1.00 0.00 C ATOM 1982 O LYS A 123 -14.847 10.814 2.875 1.00 0.00 O ATOM 1983 CB LYS A 123 -13.311 9.349 5.029 1.00 0.00 C ATOM 1984 CG LYS A 123 -13.251 8.238 6.079 1.00 0.00 C ATOM 1985 CD LYS A 123 -13.000 8.786 7.484 1.00 0.00 C ATOM 1986 CE LYS A 123 -11.653 9.488 7.602 1.00 0.00 C ATOM 1987 NZ LYS A 123 -11.408 9.997 8.978 1.00 0.00 N ATOM 0 H LYS A 123 -11.686 8.391 3.126 1.00 0.00 H new ATOM 0 HA LYS A 123 -14.592 8.266 3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -12.345 9.851 4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -14.044 10.093 5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -14.188 7.681 6.070 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -12.460 7.536 5.818 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -13.795 9.485 7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -13.045 7.968 8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -10.858 8.796 7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -11.614 10.318 6.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -10.481 10.467 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -12.152 10.677 9.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -11.420 9.203 9.649 1.00 0.00 H new ATOM 2001 N SER A 124 -13.060 10.158 1.669 1.00 0.00 N ATOM 2002 CA SER A 124 -13.230 11.172 0.632 1.00 0.00 C ATOM 2003 C SER A 124 -14.245 10.705 -0.416 1.00 0.00 C ATOM 2004 O SER A 124 -14.540 9.508 -0.514 1.00 0.00 O ATOM 2005 CB SER A 124 -11.874 11.476 -0.029 1.00 0.00 C ATOM 2006 OG SER A 124 -10.949 11.986 0.919 1.00 0.00 O ATOM 0 H SER A 124 -12.237 9.569 1.546 1.00 0.00 H new ATOM 0 HA SER A 124 -13.611 12.084 1.091 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.474 10.568 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 124 -12.011 12.199 -0.833 1.00 0.00 H new ATOM 0 HG SER A 124 -10.790 11.315 1.615 1.00 0.00 H new ATOM 2012 N PRO A 125 -14.822 11.645 -1.199 1.00 0.00 N ATOM 2013 CA PRO A 125 -15.717 11.301 -2.312 1.00 0.00 C ATOM 2014 C PRO A 125 -14.992 10.470 -3.374 1.00 0.00 C ATOM 2015 O PRO A 125 -13.875 10.003 -3.145 1.00 0.00 O ATOM 2016 CB PRO A 125 -16.151 12.668 -2.873 1.00 0.00 C ATOM 2017 CG PRO A 125 -15.110 13.625 -2.396 1.00 0.00 C ATOM 2018 CD PRO A 125 -14.663 13.106 -1.056 1.00 0.00 C ATOM 0 HA PRO A 125 -16.562 10.690 -1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -16.203 12.650 -3.962 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -17.141 12.948 -2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -14.275 13.675 -3.095 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -15.515 14.633 -2.310 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.631 13.381 -0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -15.274 13.502 -0.245 1.00 0.00 H new ATOM 2026 N LEU A 126 -15.632 10.290 -4.530 1.00 0.00 N ATOM 2027 CA LEU A 126 -15.085 9.473 -5.616 1.00 0.00 C ATOM 2028 C LEU A 126 -15.158 7.984 -5.256 1.00 0.00 C ATOM 2029 O LEU A 126 -15.812 7.215 -5.961 1.00 0.00 O ATOM 2030 CB LEU A 126 -13.644 9.910 -5.975 1.00 0.00 C ATOM 2031 CG LEU A 126 -13.011 9.237 -7.215 1.00 0.00 C ATOM 2032 CD1 LEU A 126 -11.900 10.114 -7.793 1.00 0.00 C ATOM 2033 CD2 LEU A 126 -12.456 7.851 -6.875 1.00 0.00 C ATOM 0 H LEU A 126 -16.540 10.704 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 126 -15.695 9.630 -6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -13.643 10.988 -6.134 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -13.003 9.714 -5.115 1.00 0.00 H new ATOM 0 HG LEU A 126 -13.796 9.117 -7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -11.466 9.624 -8.665 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -12.314 11.079 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -11.127 10.265 -7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -12.018 7.405 -7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -11.691 7.944 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -13.263 7.215 -6.511 1.00 0.00 H new ATOM 2045 N TYR A 127 -14.515 7.577 -4.153 1.00 0.00 N ATOM 2046 CA TYR A 127 -14.526 6.172 -3.737 1.00 0.00 C ATOM 2047 C TYR A 127 -15.963 5.703 -3.513 1.00 0.00 C ATOM 2048 O TYR A 127 -16.383 4.677 -4.048 1.00 0.00 O ATOM 2049 CB TYR A 127 -13.688 5.976 -2.461 1.00 0.00 C ATOM 2050 CG TYR A 127 -13.642 4.541 -1.939 1.00 0.00 C ATOM 2051 CD1 TYR A 127 -13.778 3.448 -2.796 1.00 0.00 C ATOM 2052 CD2 TYR A 127 -13.455 4.283 -0.585 1.00 0.00 C ATOM 2053 CE1 TYR A 127 -13.730 2.151 -2.315 1.00 0.00 C ATOM 2054 CE2 TYR A 127 -13.401 2.988 -0.102 1.00 0.00 C ATOM 2055 CZ TYR A 127 -13.539 1.928 -0.971 1.00 0.00 C ATOM 2056 OH TYR A 127 -13.480 0.638 -0.500 1.00 0.00 O ATOM 0 H TYR A 127 -13.986 8.196 -3.539 1.00 0.00 H new ATOM 0 HA TYR A 127 -14.081 5.571 -4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -12.669 6.309 -2.658 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -14.088 6.620 -1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -13.923 3.617 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -13.350 5.110 0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -13.842 1.317 -2.992 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -13.251 2.809 0.952 1.00 0.00 H new ATOM 0 HH TYR A 127 -13.016 0.072 -1.152 1.00 0.00 H new ATOM 2066 N ARG A 128 -16.713 6.482 -2.740 1.00 0.00 N ATOM 2067 CA ARG A 128 -18.123 6.196 -2.477 1.00 0.00 C ATOM 2068 C ARG A 128 -18.901 6.082 -3.790 1.00 0.00 C ATOM 2069 O ARG A 128 -19.768 5.221 -3.943 1.00 0.00 O ATOM 2070 CB ARG A 128 -18.725 7.304 -1.599 1.00 0.00 C ATOM 2071 CG ARG A 128 -18.094 7.411 -0.210 1.00 0.00 C ATOM 2072 CD ARG A 128 -18.432 6.207 0.664 1.00 0.00 C ATOM 2073 NE ARG A 128 -19.873 6.103 0.914 1.00 0.00 N ATOM 2074 CZ ARG A 128 -20.462 5.065 1.512 1.00 0.00 C ATOM 2075 NH1 ARG A 128 -19.743 4.032 1.935 1.00 0.00 N ATOM 2076 NH2 ARG A 128 -21.774 5.062 1.699 1.00 0.00 N ATOM 0 H ARG A 128 -16.366 7.324 -2.280 1.00 0.00 H new ATOM 0 HA ARG A 128 -18.195 5.245 -1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -18.614 8.260 -2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -19.794 7.124 -1.488 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -17.012 7.495 -0.309 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -18.442 8.322 0.277 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -18.080 5.296 0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -17.903 6.287 1.614 1.00 0.00 H new ATOM 0 HE ARG A 128 -20.465 6.876 0.611 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -18.731 4.027 1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -20.202 3.244 2.391 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -22.336 5.854 1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -22.222 4.268 2.156 1.00 0.00 H new ATOM 2090 N GLU A 129 -18.549 6.937 -4.743 1.00 0.00 N ATOM 2091 CA GLU A 129 -19.249 7.011 -6.022 1.00 0.00 C ATOM 2092 C GLU A 129 -18.873 5.841 -6.933 1.00 0.00 C ATOM 2093 O GLU A 129 -19.667 5.415 -7.770 1.00 0.00 O ATOM 2094 CB GLU A 129 -18.931 8.342 -6.707 1.00 0.00 C ATOM 2095 CG GLU A 129 -19.350 9.555 -5.885 1.00 0.00 C ATOM 2096 CD GLU A 129 -18.937 10.869 -6.523 1.00 0.00 C ATOM 2097 OE1 GLU A 129 -19.556 11.266 -7.532 1.00 0.00 O ATOM 2098 OE2 GLU A 129 -17.988 11.511 -6.019 1.00 0.00 O ATOM 0 H GLU A 129 -17.775 7.595 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 129 -20.320 6.949 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -17.860 8.396 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -19.434 8.375 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -20.432 9.544 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -18.909 9.485 -4.891 1.00 0.00 H new ATOM 2105 N CYS A 130 -17.658 5.329 -6.769 1.00 0.00 N ATOM 2106 CA CYS A 130 -17.196 4.184 -7.549 1.00 0.00 C ATOM 2107 C CYS A 130 -17.681 2.881 -6.920 1.00 0.00 C ATOM 2108 O CYS A 130 -17.866 1.874 -7.606 1.00 0.00 O ATOM 2109 CB CYS A 130 -15.666 4.189 -7.643 1.00 0.00 C ATOM 2110 SG CYS A 130 -14.987 5.666 -8.429 1.00 0.00 S ATOM 0 H CYS A 130 -16.974 5.688 -6.103 1.00 0.00 H new ATOM 0 HA CYS A 130 -17.610 4.260 -8.555 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -15.250 4.099 -6.640 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -15.343 3.311 -8.202 1.00 0.00 H new ATOM 0 HG CYS A 130 -15.104 6.679 -7.623 1.00 0.00 H new