USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 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 24 HIS : no HE2:sc= 0.118 K(o=1.4,f=-3.6!) USER MOD Set 1.2: A 94 TYR OH : rot 151:sc= 1.25 USER MOD Set 2.1: A 48 TYR OH : rot -30:sc= 0.963 USER MOD Set 2.2: A 98 LYS NZ :NH3+ 137:sc= 0.599 (180deg=-0.403) USER MOD Set 3.1: A 39 TYR OH : rot 43:sc= 0.908 USER MOD Set 3.2: A 44 ASN : amide:sc= -0.339 X(o=0.57,f=0.39) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.051) USER MOD Single : A 17 ASN : amide:sc= -0.0258 K(o=-0.026,f=-1.1) USER MOD Single : A 25 ASN : amide:sc= -1.65! K(o=-1.7!,f=-3) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0159) USER MOD Single : A 31 ASN : amide:sc= -1.82! C(o=-1.8!,f=-1.6!) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc=-0.00318 (180deg=-0.0654) USER MOD Single : A 40 SER OG : rot 180:sc= -0.887 USER MOD Single : A 45 LYS NZ :NH3+ -172:sc=-0.00502 (180deg=-0.0944) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.211 X(o=0.21,f=-0.052) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc=-0.00975 (180deg=-0.0932) USER MOD Single : A 75 THR OG1 : rot -25:sc= 0.195 USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0485) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -169:sc= 0.719 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0.839 K(o=0.84,f=-0.13) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 12.323 -1.730 -13.135 1.00 74.31 N ATOM 136 CA GLY A 9 11.088 -1.262 -12.535 1.00 54.24 C ATOM 137 C GLY A 9 11.188 0.208 -12.192 1.00 25.31 C ATOM 138 O GLY A 9 12.287 0.701 -11.923 1.00 22.15 O ATOM 0 HA2 GLY A 9 10.258 -1.425 -13.223 1.00 54.24 H new ATOM 0 HA3 GLY A 9 10.874 -1.838 -11.635 1.00 54.24 H new ATOM 142 N GLU A 10 10.063 0.920 -12.224 1.00 0.13 N ATOM 143 CA GLU A 10 10.057 2.349 -11.917 1.00 11.23 C ATOM 144 C GLU A 10 10.462 2.573 -10.459 1.00 23.14 C ATOM 145 O GLU A 10 11.492 3.188 -10.171 1.00 62.54 O ATOM 146 CB GLU A 10 8.670 2.953 -12.179 1.00 74.53 C ATOM 147 CG GLU A 10 8.622 4.469 -12.024 1.00 4.54 C ATOM 148 CD GLU A 10 9.421 5.194 -13.096 1.00 13.34 C ATOM 149 OE1 GLU A 10 10.631 5.438 -12.892 1.00 53.55 O ATOM 150 OE2 GLU A 10 8.837 5.530 -14.148 1.00 54.40 O ATOM 0 H GLU A 10 9.149 0.533 -12.458 1.00 0.13 H new ATOM 0 HA GLU A 10 10.777 2.846 -12.567 1.00 11.23 H new ATOM 0 HB2 GLU A 10 8.354 2.690 -13.188 1.00 74.53 H new ATOM 0 HB3 GLU A 10 7.952 2.504 -11.493 1.00 74.53 H new ATOM 0 HG2 GLU A 10 7.585 4.801 -12.063 1.00 4.54 H new ATOM 0 HG3 GLU A 10 9.008 4.742 -11.042 1.00 4.54 H new ATOM 157 N ILE A 11 9.634 2.069 -9.544 1.00 31.42 N ATOM 158 CA ILE A 11 9.916 2.130 -8.113 1.00 15.14 C ATOM 159 C ILE A 11 9.585 0.784 -7.471 1.00 14.52 C ATOM 160 O ILE A 11 8.458 0.544 -7.029 1.00 15.40 O ATOM 161 CB ILE A 11 9.115 3.265 -7.407 1.00 30.44 C ATOM 162 CG1 ILE A 11 9.418 4.628 -8.057 1.00 55.24 C ATOM 163 CG2 ILE A 11 9.436 3.304 -5.912 1.00 4.25 C ATOM 164 CD1 ILE A 11 8.674 5.796 -7.435 1.00 71.14 C ATOM 0 H ILE A 11 8.753 1.609 -9.774 1.00 31.42 H new ATOM 0 HA ILE A 11 10.976 2.353 -7.990 1.00 15.14 H new ATOM 0 HB ILE A 11 8.052 3.055 -7.525 1.00 30.44 H new ATOM 0 HG12 ILE A 11 10.489 4.818 -7.992 1.00 55.24 H new ATOM 0 HG13 ILE A 11 9.168 4.576 -9.117 1.00 55.24 H new ATOM 0 HG21 ILE A 11 8.866 4.103 -5.438 1.00 4.25 H new ATOM 0 HG22 ILE A 11 9.169 2.350 -5.458 1.00 4.25 H new ATOM 0 HG23 ILE A 11 10.502 3.487 -5.773 1.00 4.25 H new ATOM 0 HD11 ILE A 11 8.945 6.717 -7.952 1.00 71.14 H new ATOM 0 HD12 ILE A 11 7.600 5.632 -7.524 1.00 71.14 H new ATOM 0 HD13 ILE A 11 8.942 5.879 -6.382 1.00 71.14 H new ATOM 176 N MET A 12 10.569 -0.108 -7.481 1.00 63.41 N ATOM 177 CA MET A 12 10.428 -1.445 -6.914 1.00 61.34 C ATOM 178 C MET A 12 10.700 -1.411 -5.409 1.00 61.24 C ATOM 179 O MET A 12 11.764 -0.977 -4.966 1.00 42.50 O ATOM 180 CB MET A 12 11.389 -2.426 -7.614 1.00 71.55 C ATOM 181 CG MET A 12 12.862 -2.027 -7.516 1.00 4.42 C ATOM 182 SD MET A 12 13.219 -0.466 -8.354 1.00 14.20 S ATOM 183 CE MET A 12 14.819 -0.053 -7.665 1.00 21.23 C ATOM 0 H MET A 12 11.488 0.075 -7.883 1.00 63.41 H new ATOM 0 HA MET A 12 9.406 -1.789 -7.075 1.00 61.34 H new ATOM 0 HB2 MET A 12 11.261 -3.417 -7.179 1.00 71.55 H new ATOM 0 HB3 MET A 12 11.113 -2.502 -8.666 1.00 71.55 H new ATOM 0 HG2 MET A 12 13.142 -1.943 -6.466 1.00 4.42 H new ATOM 0 HG3 MET A 12 13.477 -2.816 -7.948 1.00 4.42 H new ATOM 0 HE1 MET A 12 15.166 0.888 -8.091 1.00 21.23 H new ATOM 0 HE2 MET A 12 14.734 0.047 -6.583 1.00 21.23 H new ATOM 0 HE3 MET A 12 15.532 -0.843 -7.901 1.00 21.23 H new ATOM 193 N ILE A 13 9.725 -1.850 -4.625 1.00 30.34 N ATOM 194 CA ILE A 13 9.842 -1.866 -3.171 1.00 53.35 C ATOM 195 C ILE A 13 10.024 -3.299 -2.675 1.00 4.04 C ATOM 196 O ILE A 13 9.061 -4.062 -2.597 1.00 5.33 O ATOM 197 CB ILE A 13 8.592 -1.241 -2.499 1.00 71.23 C ATOM 198 CG1 ILE A 13 8.289 0.136 -3.113 1.00 41.12 C ATOM 199 CG2 ILE A 13 8.786 -1.127 -0.986 1.00 4.51 C ATOM 200 CD1 ILE A 13 9.408 1.143 -2.955 1.00 31.04 C ATOM 0 H ILE A 13 8.835 -2.204 -4.975 1.00 30.34 H new ATOM 0 HA ILE A 13 10.714 -1.270 -2.900 1.00 53.35 H new ATOM 0 HB ILE A 13 7.741 -1.897 -2.680 1.00 71.23 H new ATOM 0 HG12 ILE A 13 8.076 0.010 -4.174 1.00 41.12 H new ATOM 0 HG13 ILE A 13 7.386 0.537 -2.652 1.00 41.12 H new ATOM 0 HG21 ILE A 13 7.896 -0.686 -0.537 1.00 4.51 H new ATOM 0 HG22 ILE A 13 8.951 -2.119 -0.565 1.00 4.51 H new ATOM 0 HG23 ILE A 13 9.649 -0.495 -0.776 1.00 4.51 H new ATOM 0 HD11 ILE A 13 9.115 2.087 -3.414 1.00 31.04 H new ATOM 0 HD12 ILE A 13 9.608 1.302 -1.895 1.00 31.04 H new ATOM 0 HD13 ILE A 13 10.308 0.766 -3.441 1.00 31.04 H new ATOM 212 N LEU A 14 11.263 -3.671 -2.380 1.00 34.12 N ATOM 213 CA LEU A 14 11.565 -5.006 -1.870 1.00 14.04 C ATOM 214 C LEU A 14 11.536 -5.001 -0.344 1.00 2.53 C ATOM 215 O LEU A 14 12.377 -4.365 0.301 1.00 32.22 O ATOM 216 CB LEU A 14 12.933 -5.497 -2.378 1.00 61.22 C ATOM 217 CG LEU A 14 13.007 -5.852 -3.879 1.00 5.12 C ATOM 218 CD1 LEU A 14 12.812 -4.616 -4.755 1.00 55.21 C ATOM 219 CD2 LEU A 14 14.334 -6.537 -4.203 1.00 1.33 C ATOM 0 H LEU A 14 12.078 -3.067 -2.485 1.00 34.12 H new ATOM 0 HA LEU A 14 10.804 -5.693 -2.238 1.00 14.04 H new ATOM 0 HB2 LEU A 14 13.674 -4.726 -2.170 1.00 61.22 H new ATOM 0 HB3 LEU A 14 13.218 -6.377 -1.802 1.00 61.22 H new ATOM 0 HG LEU A 14 12.195 -6.545 -4.098 1.00 5.12 H new ATOM 0 HD11 LEU A 14 12.870 -4.902 -5.805 1.00 55.21 H new ATOM 0 HD12 LEU A 14 11.835 -4.176 -4.552 1.00 55.21 H new ATOM 0 HD13 LEU A 14 13.591 -3.887 -4.534 1.00 55.21 H new ATOM 0 HD21 LEU A 14 14.368 -6.780 -5.265 1.00 1.33 H new ATOM 0 HD22 LEU A 14 15.158 -5.868 -3.957 1.00 1.33 H new ATOM 0 HD23 LEU A 14 14.423 -7.453 -3.618 1.00 1.33 H new ATOM 231 N ILE A 15 10.556 -5.694 0.222 1.00 14.41 N ATOM 232 CA ILE A 15 10.408 -5.794 1.670 1.00 71.42 C ATOM 233 C ILE A 15 9.903 -7.187 2.051 1.00 72.12 C ATOM 234 O ILE A 15 9.055 -7.752 1.360 1.00 2.24 O ATOM 235 CB ILE A 15 9.440 -4.707 2.215 1.00 64.30 C ATOM 236 CG1 ILE A 15 9.339 -4.782 3.747 1.00 35.03 C ATOM 237 CG2 ILE A 15 8.059 -4.838 1.574 1.00 32.12 C ATOM 238 CD1 ILE A 15 8.463 -3.707 4.362 1.00 40.01 C ATOM 0 H ILE A 15 9.845 -6.200 -0.305 1.00 14.41 H new ATOM 0 HA ILE A 15 11.387 -5.630 2.121 1.00 71.42 H new ATOM 0 HB ILE A 15 9.846 -3.731 1.950 1.00 64.30 H new ATOM 0 HG12 ILE A 15 8.947 -5.760 4.027 1.00 35.03 H new ATOM 0 HG13 ILE A 15 10.340 -4.706 4.171 1.00 35.03 H new ATOM 0 HG21 ILE A 15 7.399 -4.067 1.971 1.00 32.12 H new ATOM 0 HG22 ILE A 15 8.147 -4.720 0.494 1.00 32.12 H new ATOM 0 HG23 ILE A 15 7.645 -5.821 1.799 1.00 32.12 H new ATOM 0 HD11 ILE A 15 8.444 -3.829 5.445 1.00 40.01 H new ATOM 0 HD12 ILE A 15 8.865 -2.724 4.115 1.00 40.01 H new ATOM 0 HD13 ILE A 15 7.450 -3.794 3.969 1.00 40.01 H new ATOM 250 N GLN A 16 10.454 -7.743 3.134 1.00 14.03 N ATOM 251 CA GLN A 16 10.078 -9.083 3.605 1.00 33.04 C ATOM 252 C GLN A 16 10.294 -10.133 2.509 1.00 35.11 C ATOM 253 O GLN A 16 9.605 -11.155 2.471 1.00 3.14 O ATOM 254 CB GLN A 16 8.608 -9.103 4.078 1.00 73.23 C ATOM 255 CG GLN A 16 8.328 -8.205 5.281 1.00 34.13 C ATOM 256 CD GLN A 16 9.113 -8.612 6.518 1.00 50.22 C ATOM 257 OE1 GLN A 16 8.651 -9.418 7.326 1.00 50.12 O ATOM 258 NE2 GLN A 16 10.301 -8.057 6.677 1.00 74.12 N ATOM 0 H GLN A 16 11.165 -7.285 3.704 1.00 14.03 H new ATOM 0 HA GLN A 16 10.721 -9.331 4.450 1.00 33.04 H new ATOM 0 HB2 GLN A 16 7.967 -8.795 3.252 1.00 73.23 H new ATOM 0 HB3 GLN A 16 8.333 -10.127 4.331 1.00 73.23 H new ATOM 0 HG2 GLN A 16 8.573 -7.175 5.024 1.00 34.13 H new ATOM 0 HG3 GLN A 16 7.262 -8.232 5.508 1.00 34.13 H new ATOM 0 HE21 GLN A 16 10.650 -7.393 5.986 1.00 74.12 H new ATOM 0 HE22 GLN A 16 10.869 -8.292 7.491 1.00 74.12 H new ATOM 267 N ASN A 17 11.267 -9.872 1.630 1.00 44.41 N ATOM 268 CA ASN A 17 11.583 -10.772 0.514 1.00 70.22 C ATOM 269 C ASN A 17 10.395 -10.902 -0.434 1.00 4.33 C ATOM 270 O ASN A 17 10.171 -11.953 -1.048 1.00 54.41 O ATOM 271 CB ASN A 17 12.037 -12.150 1.023 1.00 61.22 C ATOM 272 CG ASN A 17 13.401 -12.095 1.692 1.00 51.24 C ATOM 273 OD1 ASN A 17 14.249 -11.277 1.329 1.00 74.43 O ATOM 274 ND2 ASN A 17 13.620 -12.955 2.671 1.00 11.01 N ATOM 0 H ASN A 17 11.854 -9.039 1.670 1.00 44.41 H new ATOM 0 HA ASN A 17 12.412 -10.335 -0.043 1.00 70.22 H new ATOM 0 HB2 ASN A 17 11.302 -12.534 1.731 1.00 61.22 H new ATOM 0 HB3 ASN A 17 12.072 -12.850 0.188 1.00 61.22 H new ATOM 0 HD21 ASN A 17 14.517 -12.958 3.156 1.00 11.01 H new ATOM 0 HD22 ASN A 17 12.892 -13.616 2.941 1.00 11.01 H new ATOM 281 N ALA A 18 9.640 -9.819 -0.547 1.00 34.41 N ATOM 282 CA ALA A 18 8.558 -9.706 -1.512 1.00 25.53 C ATOM 283 C ALA A 18 8.705 -8.391 -2.264 1.00 61.50 C ATOM 284 O ALA A 18 8.830 -7.331 -1.644 1.00 31.04 O ATOM 285 CB ALA A 18 7.204 -9.786 -0.817 1.00 3.04 C ATOM 0 H ALA A 18 9.762 -8.989 0.033 1.00 34.41 H new ATOM 0 HA ALA A 18 8.612 -10.535 -2.218 1.00 25.53 H new ATOM 0 HB1 ALA A 18 6.409 -9.699 -1.558 1.00 3.04 H new ATOM 0 HB2 ALA A 18 7.116 -10.742 -0.301 1.00 3.04 H new ATOM 0 HB3 ALA A 18 7.117 -8.974 -0.095 1.00 3.04 H new ATOM 291 N GLU A 19 8.721 -8.460 -3.590 1.00 3.50 N ATOM 292 CA GLU A 19 8.896 -7.265 -4.402 1.00 41.32 C ATOM 293 C GLU A 19 7.541 -6.658 -4.738 1.00 32.32 C ATOM 294 O GLU A 19 6.617 -7.359 -5.154 1.00 61.54 O ATOM 295 CB GLU A 19 9.664 -7.582 -5.693 1.00 64.43 C ATOM 296 CG GLU A 19 10.081 -6.336 -6.468 1.00 35.13 C ATOM 297 CD GLU A 19 10.754 -6.658 -7.793 1.00 32.50 C ATOM 298 OE1 GLU A 19 11.996 -6.816 -7.818 1.00 0.55 O ATOM 299 OE2 GLU A 19 10.044 -6.739 -8.817 1.00 1.10 O ATOM 0 H GLU A 19 8.616 -9.324 -4.121 1.00 3.50 H new ATOM 0 HA GLU A 19 9.479 -6.546 -3.826 1.00 41.32 H new ATOM 0 HB2 GLU A 19 10.553 -8.162 -5.446 1.00 64.43 H new ATOM 0 HB3 GLU A 19 9.042 -8.208 -6.333 1.00 64.43 H new ATOM 0 HG2 GLU A 19 9.202 -5.719 -6.654 1.00 35.13 H new ATOM 0 HG3 GLU A 19 10.761 -5.745 -5.855 1.00 35.13 H new ATOM 306 N PHE A 20 7.429 -5.364 -4.508 1.00 31.04 N ATOM 307 CA PHE A 20 6.256 -4.592 -4.884 1.00 34.22 C ATOM 308 C PHE A 20 6.693 -3.472 -5.816 1.00 14.10 C ATOM 309 O PHE A 20 7.888 -3.269 -6.018 1.00 53.32 O ATOM 310 CB PHE A 20 5.577 -3.998 -3.638 1.00 33.32 C ATOM 311 CG PHE A 20 5.063 -5.027 -2.659 1.00 32.32 C ATOM 312 CD1 PHE A 20 5.915 -5.619 -1.736 1.00 21.44 C ATOM 313 CD2 PHE A 20 3.725 -5.404 -2.662 1.00 22.35 C ATOM 314 CE1 PHE A 20 5.446 -6.560 -0.840 1.00 74.32 C ATOM 315 CE2 PHE A 20 3.253 -6.345 -1.766 1.00 72.55 C ATOM 316 CZ PHE A 20 4.114 -6.923 -0.855 1.00 0.44 C ATOM 0 H PHE A 20 8.155 -4.812 -4.051 1.00 31.04 H new ATOM 0 HA PHE A 20 5.539 -5.242 -5.385 1.00 34.22 H new ATOM 0 HB2 PHE A 20 6.288 -3.350 -3.126 1.00 33.32 H new ATOM 0 HB3 PHE A 20 4.745 -3.370 -3.957 1.00 33.32 H new ATOM 0 HD1 PHE A 20 6.958 -5.340 -1.718 1.00 21.44 H new ATOM 0 HD2 PHE A 20 3.046 -4.956 -3.373 1.00 22.35 H new ATOM 0 HE1 PHE A 20 6.121 -7.012 -0.128 1.00 74.32 H new ATOM 0 HE2 PHE A 20 2.211 -6.628 -1.779 1.00 72.55 H new ATOM 0 HZ PHE A 20 3.746 -7.658 -0.155 1.00 0.44 H new ATOM 326 N GLU A 21 5.744 -2.763 -6.401 1.00 50.43 N ATOM 327 CA GLU A 21 6.065 -1.558 -7.156 1.00 71.22 C ATOM 328 C GLU A 21 4.960 -0.528 -6.993 1.00 2.24 C ATOM 329 O GLU A 21 3.786 -0.878 -6.823 1.00 0.03 O ATOM 330 CB GLU A 21 6.300 -1.860 -8.647 1.00 63.04 C ATOM 331 CG GLU A 21 5.044 -2.229 -9.431 1.00 24.44 C ATOM 332 CD GLU A 21 5.270 -2.196 -10.936 1.00 71.44 C ATOM 333 OE1 GLU A 21 5.263 -1.085 -11.513 1.00 54.12 O ATOM 334 OE2 GLU A 21 5.442 -3.269 -11.553 1.00 4.33 O ATOM 0 H GLU A 21 4.751 -2.996 -6.370 1.00 50.43 H new ATOM 0 HA GLU A 21 6.995 -1.155 -6.754 1.00 71.22 H new ATOM 0 HB2 GLU A 21 6.758 -0.987 -9.112 1.00 63.04 H new ATOM 0 HB3 GLU A 21 7.016 -2.678 -8.729 1.00 63.04 H new ATOM 0 HG2 GLU A 21 4.715 -3.226 -9.137 1.00 24.44 H new ATOM 0 HG3 GLU A 21 4.241 -1.539 -9.171 1.00 24.44 H new ATOM 341 N LEU A 22 5.346 0.741 -7.020 1.00 5.43 N ATOM 342 CA LEU A 22 4.398 1.835 -6.917 1.00 44.13 C ATOM 343 C LEU A 22 3.598 1.937 -8.215 1.00 22.41 C ATOM 344 O LEU A 22 4.137 2.319 -9.260 1.00 11.31 O ATOM 345 CB LEU A 22 5.136 3.149 -6.629 1.00 41.01 C ATOM 346 CG LEU A 22 4.240 4.378 -6.403 1.00 14.23 C ATOM 347 CD1 LEU A 22 3.305 4.158 -5.212 1.00 51.44 C ATOM 348 CD2 LEU A 22 5.091 5.632 -6.201 1.00 23.23 C ATOM 0 H LEU A 22 6.318 1.036 -7.113 1.00 5.43 H new ATOM 0 HA LEU A 22 3.711 1.644 -6.093 1.00 44.13 H new ATOM 0 HB2 LEU A 22 5.759 3.009 -5.746 1.00 41.01 H new ATOM 0 HB3 LEU A 22 5.806 3.359 -7.462 1.00 41.01 H new ATOM 0 HG LEU A 22 3.625 4.521 -7.292 1.00 14.23 H new ATOM 0 HD11 LEU A 22 2.681 5.041 -5.071 1.00 51.44 H new ATOM 0 HD12 LEU A 22 2.671 3.292 -5.402 1.00 51.44 H new ATOM 0 HD13 LEU A 22 3.896 3.985 -4.313 1.00 51.44 H new ATOM 0 HD21 LEU A 22 4.440 6.492 -6.043 1.00 23.23 H new ATOM 0 HD22 LEU A 22 5.734 5.499 -5.331 1.00 23.23 H new ATOM 0 HD23 LEU A 22 5.706 5.801 -7.085 1.00 23.23 H new ATOM 360 N VAL A 23 2.327 1.554 -8.152 1.00 63.04 N ATOM 361 CA VAL A 23 1.462 1.558 -9.330 1.00 33.45 C ATOM 362 C VAL A 23 0.547 2.780 -9.336 1.00 71.30 C ATOM 363 O VAL A 23 0.111 3.234 -10.393 1.00 24.31 O ATOM 364 CB VAL A 23 0.610 0.266 -9.413 1.00 64.32 C ATOM 365 CG1 VAL A 23 1.511 -0.962 -9.538 1.00 4.33 C ATOM 366 CG2 VAL A 23 -0.319 0.142 -8.205 1.00 31.53 C ATOM 0 H VAL A 23 1.871 1.236 -7.297 1.00 63.04 H new ATOM 0 HA VAL A 23 2.112 1.600 -10.204 1.00 33.45 H new ATOM 0 HB VAL A 23 -0.013 0.326 -10.305 1.00 64.32 H new ATOM 0 HG11 VAL A 23 0.896 -1.860 -9.595 1.00 4.33 H new ATOM 0 HG12 VAL A 23 2.116 -0.879 -10.441 1.00 4.33 H new ATOM 0 HG13 VAL A 23 2.164 -1.024 -8.668 1.00 4.33 H new ATOM 0 HG21 VAL A 23 -0.905 -0.773 -8.289 1.00 31.53 H new ATOM 0 HG22 VAL A 23 0.275 0.110 -7.291 1.00 31.53 H new ATOM 0 HG23 VAL A 23 -0.990 1.001 -8.172 1.00 31.53 H new ATOM 376 N HIS A 24 0.271 3.319 -8.152 1.00 1.11 N ATOM 377 CA HIS A 24 -0.594 4.490 -8.017 1.00 55.05 C ATOM 378 C HIS A 24 -0.136 5.331 -6.829 1.00 30.53 C ATOM 379 O HIS A 24 0.112 4.797 -5.751 1.00 54.03 O ATOM 380 CB HIS A 24 -2.052 4.043 -7.836 1.00 63.25 C ATOM 381 CG HIS A 24 -3.052 5.165 -7.779 1.00 15.53 C ATOM 382 ND1 HIS A 24 -3.009 6.268 -8.606 1.00 64.03 N ATOM 383 CD2 HIS A 24 -4.133 5.344 -6.982 1.00 25.42 C ATOM 384 CE1 HIS A 24 -4.017 7.072 -8.317 1.00 20.52 C ATOM 385 NE2 HIS A 24 -4.715 6.534 -7.336 1.00 42.23 N ATOM 0 H HIS A 24 0.635 2.963 -7.268 1.00 1.11 H new ATOM 0 HA HIS A 24 -0.529 5.097 -8.920 1.00 55.05 H new ATOM 0 HB2 HIS A 24 -2.319 3.379 -8.658 1.00 63.25 H new ATOM 0 HB3 HIS A 24 -2.128 3.460 -6.918 1.00 63.25 H new ATOM 0 HD1 HIS A 24 -2.308 6.437 -9.328 1.00 64.03 H new ATOM 0 HD2 HIS A 24 -4.474 4.672 -6.209 1.00 25.42 H new ATOM 0 HE1 HIS A 24 -4.233 8.012 -8.803 1.00 20.52 H new ATOM 394 N ASN A 25 -0.021 6.638 -7.031 1.00 74.31 N ATOM 395 CA ASN A 25 0.451 7.550 -5.989 1.00 71.53 C ATOM 396 C ASN A 25 -0.327 8.857 -6.061 1.00 11.34 C ATOM 397 O ASN A 25 -0.680 9.310 -7.152 1.00 31.40 O ATOM 398 CB ASN A 25 1.959 7.803 -6.156 1.00 21.40 C ATOM 399 CG ASN A 25 2.550 8.720 -5.092 1.00 44.51 C ATOM 400 OD1 ASN A 25 2.029 8.839 -3.979 1.00 41.14 O ATOM 401 ND2 ASN A 25 3.668 9.356 -5.418 1.00 52.20 N ATOM 0 H ASN A 25 -0.250 7.096 -7.913 1.00 74.31 H new ATOM 0 HA ASN A 25 0.285 7.100 -5.010 1.00 71.53 H new ATOM 0 HB2 ASN A 25 2.483 6.848 -6.131 1.00 21.40 H new ATOM 0 HB3 ASN A 25 2.138 8.239 -7.139 1.00 21.40 H new ATOM 0 HD21 ASN A 25 4.124 9.966 -4.740 1.00 52.20 H new ATOM 0 HD22 ASN A 25 4.071 9.235 -6.347 1.00 52.20 H new ATOM 408 N PHE A 26 -0.607 9.444 -4.906 1.00 21.03 N ATOM 409 CA PHE A 26 -1.395 10.668 -4.831 1.00 52.15 C ATOM 410 C PHE A 26 -0.714 11.688 -3.934 1.00 34.53 C ATOM 411 O PHE A 26 -0.483 11.435 -2.747 1.00 11.23 O ATOM 412 CB PHE A 26 -2.809 10.363 -4.318 1.00 32.31 C ATOM 413 CG PHE A 26 -3.762 11.521 -4.480 1.00 24.12 C ATOM 414 CD1 PHE A 26 -4.498 11.674 -5.648 1.00 24.24 C ATOM 415 CD2 PHE A 26 -3.912 12.464 -3.474 1.00 23.32 C ATOM 416 CE1 PHE A 26 -5.364 12.739 -5.803 1.00 62.30 C ATOM 417 CE2 PHE A 26 -4.774 13.529 -3.628 1.00 74.00 C ATOM 418 CZ PHE A 26 -5.502 13.668 -4.792 1.00 71.02 C ATOM 0 H PHE A 26 -0.298 9.090 -4.001 1.00 21.03 H new ATOM 0 HA PHE A 26 -1.472 11.089 -5.833 1.00 52.15 H new ATOM 0 HB2 PHE A 26 -3.204 9.499 -4.852 1.00 32.31 H new ATOM 0 HB3 PHE A 26 -2.755 10.090 -3.264 1.00 32.31 H new ATOM 0 HD1 PHE A 26 -4.392 10.952 -6.444 1.00 24.24 H new ATOM 0 HD2 PHE A 26 -3.347 12.363 -2.559 1.00 23.32 H new ATOM 0 HE1 PHE A 26 -5.933 12.845 -6.715 1.00 62.30 H new ATOM 0 HE2 PHE A 26 -4.880 14.256 -2.836 1.00 74.00 H new ATOM 0 HZ PHE A 26 -6.178 14.502 -4.911 1.00 71.02 H new ATOM 428 N LYS A 27 -0.366 12.826 -4.533 1.00 72.22 N ATOM 429 CA LYS A 27 0.144 13.983 -3.804 1.00 71.53 C ATOM 430 C LYS A 27 1.487 13.659 -3.150 1.00 3.52 C ATOM 431 O LYS A 27 1.898 14.303 -2.177 1.00 73.33 O ATOM 432 CB LYS A 27 -0.900 14.419 -2.768 1.00 61.24 C ATOM 433 CG LYS A 27 -0.769 15.863 -2.298 1.00 43.01 C ATOM 434 CD LYS A 27 -1.986 16.284 -1.488 1.00 64.22 C ATOM 435 CE LYS A 27 -3.262 16.227 -2.325 1.00 44.31 C ATOM 436 NZ LYS A 27 -3.303 17.295 -3.355 1.00 32.31 N ATOM 0 H LYS A 27 -0.431 12.970 -5.541 1.00 72.22 H new ATOM 0 HA LYS A 27 0.317 14.808 -4.495 1.00 71.53 H new ATOM 0 HB2 LYS A 27 -1.894 14.279 -3.193 1.00 61.24 H new ATOM 0 HB3 LYS A 27 -0.828 13.762 -1.902 1.00 61.24 H new ATOM 0 HG2 LYS A 27 0.131 15.972 -1.693 1.00 43.01 H new ATOM 0 HG3 LYS A 27 -0.655 16.521 -3.160 1.00 43.01 H new ATOM 0 HD2 LYS A 27 -2.090 15.633 -0.620 1.00 64.22 H new ATOM 0 HD3 LYS A 27 -1.841 17.297 -1.112 1.00 64.22 H new ATOM 0 HE2 LYS A 27 -3.334 15.253 -2.810 1.00 44.31 H new ATOM 0 HE3 LYS A 27 -4.129 16.322 -1.671 1.00 44.31 H new ATOM 0 HZ1 LYS A 27 -4.215 17.261 -3.854 1.00 32.31 H new ATOM 0 HZ2 LYS A 27 -3.193 18.223 -2.898 1.00 32.31 H new ATOM 0 HZ3 LYS A 27 -2.530 17.151 -4.036 1.00 32.31 H new ATOM 450 N ASP A 28 2.170 12.665 -3.717 1.00 41.35 N ATOM 451 CA ASP A 28 3.476 12.219 -3.233 1.00 22.42 C ATOM 452 C ASP A 28 3.371 11.699 -1.804 1.00 51.21 C ATOM 453 O ASP A 28 4.329 11.757 -1.036 1.00 31.23 O ATOM 454 CB ASP A 28 4.520 13.345 -3.325 1.00 71.53 C ATOM 455 CG ASP A 28 4.755 13.809 -4.753 1.00 31.54 C ATOM 456 OD1 ASP A 28 5.376 13.062 -5.540 1.00 44.32 O ATOM 457 OD2 ASP A 28 4.310 14.925 -5.106 1.00 54.52 O ATOM 0 H ASP A 28 1.832 12.145 -4.527 1.00 41.35 H new ATOM 0 HA ASP A 28 3.808 11.403 -3.874 1.00 22.42 H new ATOM 0 HB2 ASP A 28 4.191 14.191 -2.722 1.00 71.53 H new ATOM 0 HB3 ASP A 28 5.462 12.998 -2.900 1.00 71.53 H new ATOM 462 N GLY A 29 2.199 11.167 -1.466 1.00 33.12 N ATOM 463 CA GLY A 29 1.979 10.597 -0.146 1.00 41.55 C ATOM 464 C GLY A 29 2.794 9.336 0.081 1.00 32.15 C ATOM 465 O GLY A 29 2.884 8.843 1.206 1.00 21.32 O ATOM 0 H GLY A 29 1.392 11.120 -2.088 1.00 33.12 H new ATOM 0 HA2 GLY A 29 2.237 11.335 0.613 1.00 41.55 H new ATOM 0 HA3 GLY A 29 0.920 10.370 -0.023 1.00 41.55 H new ATOM 469 N PHE A 30 3.373 8.811 -0.997 1.00 15.22 N ATOM 470 CA PHE A 30 4.225 7.631 -0.920 1.00 45.44 C ATOM 471 C PHE A 30 5.494 7.918 -0.116 1.00 60.33 C ATOM 472 O PHE A 30 6.282 8.804 -0.464 1.00 61.54 O ATOM 473 CB PHE A 30 4.596 7.141 -2.328 1.00 2.11 C ATOM 474 CG PHE A 30 5.573 5.993 -2.318 1.00 52.11 C ATOM 475 CD1 PHE A 30 5.180 4.734 -1.887 1.00 4.01 C ATOM 476 CD2 PHE A 30 6.890 6.178 -2.718 1.00 71.24 C ATOM 477 CE1 PHE A 30 6.076 3.684 -1.858 1.00 14.23 C ATOM 478 CE2 PHE A 30 7.791 5.130 -2.687 1.00 54.53 C ATOM 479 CZ PHE A 30 7.382 3.884 -2.258 1.00 34.34 C ATOM 0 H PHE A 30 3.265 9.188 -1.938 1.00 15.22 H new ATOM 0 HA PHE A 30 3.664 6.849 -0.409 1.00 45.44 H new ATOM 0 HB2 PHE A 30 3.690 6.834 -2.850 1.00 2.11 H new ATOM 0 HB3 PHE A 30 5.024 7.969 -2.893 1.00 2.11 H new ATOM 0 HD1 PHE A 30 4.160 4.573 -1.570 1.00 4.01 H new ATOM 0 HD2 PHE A 30 7.214 7.151 -3.057 1.00 71.24 H new ATOM 0 HE1 PHE A 30 5.756 2.708 -1.523 1.00 14.23 H new ATOM 0 HE2 PHE A 30 8.813 5.286 -2.998 1.00 54.53 H new ATOM 0 HZ PHE A 30 8.085 3.064 -2.235 1.00 34.34 H new ATOM 489 N ASN A 31 5.682 7.160 0.958 1.00 71.13 N ATOM 490 CA ASN A 31 6.881 7.257 1.784 1.00 53.13 C ATOM 491 C ASN A 31 7.228 5.891 2.381 1.00 3.53 C ATOM 492 O ASN A 31 6.587 5.428 3.328 1.00 42.31 O ATOM 493 CB ASN A 31 6.703 8.327 2.881 1.00 31.43 C ATOM 494 CG ASN A 31 5.307 8.365 3.474 1.00 75.43 C ATOM 495 OD1 ASN A 31 4.641 7.340 3.627 1.00 5.32 O ATOM 496 ND2 ASN A 31 4.846 9.564 3.790 1.00 62.31 N ATOM 0 H ASN A 31 5.011 6.463 1.280 1.00 71.13 H new ATOM 0 HA ASN A 31 7.715 7.569 1.156 1.00 53.13 H new ATOM 0 HB2 ASN A 31 7.422 8.140 3.679 1.00 31.43 H new ATOM 0 HB3 ASN A 31 6.938 9.306 2.463 1.00 31.43 H new ATOM 0 HD21 ASN A 31 3.907 9.664 4.176 1.00 62.31 H new ATOM 0 HD22 ASN A 31 5.429 10.388 3.648 1.00 62.31 H new ATOM 503 N GLU A 32 8.243 5.244 1.802 1.00 64.23 N ATOM 504 CA GLU A 32 8.662 3.907 2.218 1.00 52.22 C ATOM 505 C GLU A 32 8.974 3.874 3.712 1.00 24.30 C ATOM 506 O GLU A 32 8.672 2.899 4.396 1.00 32.40 O ATOM 507 CB GLU A 32 9.889 3.460 1.413 1.00 61.32 C ATOM 508 CG GLU A 32 10.343 2.034 1.707 1.00 61.30 C ATOM 509 CD GLU A 32 11.578 1.643 0.913 1.00 3.41 C ATOM 510 OE1 GLU A 32 11.449 1.392 -0.304 1.00 20.31 O ATOM 511 OE2 GLU A 32 12.686 1.610 1.490 1.00 11.42 O ATOM 0 H GLU A 32 8.794 5.631 1.036 1.00 64.23 H new ATOM 0 HA GLU A 32 7.840 3.218 2.024 1.00 52.22 H new ATOM 0 HB2 GLU A 32 9.663 3.546 0.350 1.00 61.32 H new ATOM 0 HB3 GLU A 32 10.714 4.142 1.620 1.00 61.32 H new ATOM 0 HG2 GLU A 32 10.553 1.935 2.772 1.00 61.30 H new ATOM 0 HG3 GLU A 32 9.532 1.343 1.476 1.00 61.30 H new ATOM 518 N GLU A 33 9.571 4.956 4.205 1.00 55.34 N ATOM 519 CA GLU A 33 9.910 5.086 5.622 1.00 43.40 C ATOM 520 C GLU A 33 8.707 4.781 6.521 1.00 15.42 C ATOM 521 O GLU A 33 8.825 4.044 7.503 1.00 32.30 O ATOM 522 CB GLU A 33 10.452 6.498 5.905 1.00 30.22 C ATOM 523 CG GLU A 33 9.483 7.620 5.541 1.00 1.43 C ATOM 524 CD GLU A 33 10.107 9.000 5.654 1.00 73.14 C ATOM 525 OE1 GLU A 33 10.299 9.483 6.788 1.00 14.30 O ATOM 526 OE2 GLU A 33 10.411 9.610 4.602 1.00 12.03 O ATOM 0 H GLU A 33 9.833 5.763 3.639 1.00 55.34 H new ATOM 0 HA GLU A 33 10.683 4.353 5.853 1.00 43.40 H new ATOM 0 HB2 GLU A 33 10.700 6.575 6.964 1.00 30.22 H new ATOM 0 HB3 GLU A 33 11.379 6.638 5.349 1.00 30.22 H new ATOM 0 HG2 GLU A 33 9.128 7.470 4.522 1.00 1.43 H new ATOM 0 HG3 GLU A 33 8.611 7.566 6.193 1.00 1.43 H new ATOM 533 N ALA A 34 7.551 5.348 6.182 1.00 40.22 N ATOM 534 CA ALA A 34 6.327 5.123 6.949 1.00 61.52 C ATOM 535 C ALA A 34 5.719 3.769 6.596 1.00 62.43 C ATOM 536 O ALA A 34 5.200 3.060 7.462 1.00 40.20 O ATOM 537 CB ALA A 34 5.332 6.247 6.688 1.00 63.34 C ATOM 0 H ALA A 34 7.436 5.968 5.380 1.00 40.22 H new ATOM 0 HA ALA A 34 6.572 5.118 8.011 1.00 61.52 H new ATOM 0 HB1 ALA A 34 4.424 6.070 7.264 1.00 63.34 H new ATOM 0 HB2 ALA A 34 5.771 7.199 6.987 1.00 63.34 H new ATOM 0 HB3 ALA A 34 5.088 6.278 5.626 1.00 63.34 H new ATOM 543 N PHE A 35 5.805 3.428 5.314 1.00 24.25 N ATOM 544 CA PHE A 35 5.296 2.162 4.788 1.00 22.14 C ATOM 545 C PHE A 35 5.851 0.971 5.577 1.00 62.03 C ATOM 546 O PHE A 35 5.101 0.222 6.206 1.00 71.34 O ATOM 547 CB PHE A 35 5.675 2.054 3.297 1.00 33.10 C ATOM 548 CG PHE A 35 5.462 0.690 2.678 1.00 73.21 C ATOM 549 CD1 PHE A 35 4.214 0.303 2.214 1.00 21.21 C ATOM 550 CD2 PHE A 35 6.523 -0.202 2.550 1.00 71.01 C ATOM 551 CE1 PHE A 35 4.028 -0.940 1.640 1.00 4.32 C ATOM 552 CE2 PHE A 35 6.338 -1.448 1.979 1.00 62.14 C ATOM 553 CZ PHE A 35 5.088 -1.817 1.525 1.00 30.41 C ATOM 0 H PHE A 35 6.232 4.024 4.605 1.00 24.25 H new ATOM 0 HA PHE A 35 4.211 2.141 4.893 1.00 22.14 H new ATOM 0 HB2 PHE A 35 5.093 2.785 2.736 1.00 33.10 H new ATOM 0 HB3 PHE A 35 6.724 2.327 3.184 1.00 33.10 H new ATOM 0 HD1 PHE A 35 3.378 0.981 2.302 1.00 21.21 H new ATOM 0 HD2 PHE A 35 7.504 0.083 2.901 1.00 71.01 H new ATOM 0 HE1 PHE A 35 3.051 -1.226 1.280 1.00 4.32 H new ATOM 0 HE2 PHE A 35 7.170 -2.131 1.889 1.00 62.14 H new ATOM 0 HZ PHE A 35 4.939 -2.790 1.081 1.00 30.41 H new ATOM 563 N LYS A 36 7.171 0.824 5.553 1.00 22.43 N ATOM 564 CA LYS A 36 7.841 -0.311 6.179 1.00 51.15 C ATOM 565 C LYS A 36 7.649 -0.293 7.696 1.00 3.22 C ATOM 566 O LYS A 36 7.574 -1.346 8.332 1.00 21.34 O ATOM 567 CB LYS A 36 9.337 -0.301 5.817 1.00 14.34 C ATOM 568 CG LYS A 36 10.086 0.938 6.301 1.00 43.12 C ATOM 569 CD LYS A 36 11.454 1.073 5.640 1.00 23.43 C ATOM 570 CE LYS A 36 12.369 -0.110 5.949 1.00 42.15 C ATOM 571 NZ LYS A 36 12.642 -0.255 7.406 1.00 10.21 N ATOM 0 H LYS A 36 7.804 1.484 5.102 1.00 22.43 H new ATOM 0 HA LYS A 36 7.394 -1.230 5.801 1.00 51.15 H new ATOM 0 HB2 LYS A 36 9.809 -1.187 6.242 1.00 14.34 H new ATOM 0 HB3 LYS A 36 9.439 -0.374 4.734 1.00 14.34 H new ATOM 0 HG2 LYS A 36 9.492 1.827 6.089 1.00 43.12 H new ATOM 0 HG3 LYS A 36 10.209 0.888 7.383 1.00 43.12 H new ATOM 0 HD2 LYS A 36 11.326 1.158 4.561 1.00 23.43 H new ATOM 0 HD3 LYS A 36 11.929 1.994 5.978 1.00 23.43 H new ATOM 0 HE2 LYS A 36 11.912 -1.026 5.575 1.00 42.15 H new ATOM 0 HE3 LYS A 36 13.312 0.015 5.417 1.00 42.15 H new ATOM 0 HZ1 LYS A 36 13.371 -0.983 7.552 1.00 10.21 H new ATOM 0 HZ2 LYS A 36 12.977 0.652 7.788 1.00 10.21 H new ATOM 0 HZ3 LYS A 36 11.769 -0.536 7.896 1.00 10.21 H new ATOM 585 N ALA A 37 7.532 0.908 8.262 1.00 21.01 N ATOM 586 CA ALA A 37 7.393 1.071 9.707 1.00 12.35 C ATOM 587 C ALA A 37 6.068 0.498 10.206 1.00 4.21 C ATOM 588 O ALA A 37 5.962 0.062 11.354 1.00 41.32 O ATOM 589 CB ALA A 37 7.511 2.543 10.091 1.00 55.33 C ATOM 0 H ALA A 37 7.531 1.784 7.739 1.00 21.01 H new ATOM 0 HA ALA A 37 8.200 0.516 10.184 1.00 12.35 H new ATOM 0 HB1 ALA A 37 7.405 2.647 11.171 1.00 55.33 H new ATOM 0 HB2 ALA A 37 8.486 2.922 9.784 1.00 55.33 H new ATOM 0 HB3 ALA A 37 6.727 3.113 9.593 1.00 55.33 H new ATOM 595 N ARG A 38 5.054 0.502 9.343 1.00 52.15 N ATOM 596 CA ARG A 38 3.719 0.035 9.720 1.00 64.12 C ATOM 597 C ARG A 38 3.324 -1.213 8.929 1.00 21.22 C ATOM 598 O ARG A 38 2.189 -1.688 9.029 1.00 4.21 O ATOM 599 CB ARG A 38 2.689 1.154 9.497 1.00 70.54 C ATOM 600 CG ARG A 38 2.960 2.437 10.292 1.00 72.52 C ATOM 601 CD ARG A 38 2.730 2.262 11.798 1.00 62.22 C ATOM 602 NE ARG A 38 3.693 1.347 12.417 1.00 33.31 N ATOM 603 CZ ARG A 38 3.666 0.973 13.696 1.00 32.25 C ATOM 604 NH1 ARG A 38 2.763 1.472 14.533 1.00 21.32 N ATOM 605 NH2 ARG A 38 4.560 0.103 14.142 1.00 14.14 N ATOM 0 H ARG A 38 5.130 0.823 8.378 1.00 52.15 H new ATOM 0 HA ARG A 38 3.738 -0.231 10.777 1.00 64.12 H new ATOM 0 HB2 ARG A 38 2.662 1.399 8.435 1.00 70.54 H new ATOM 0 HB3 ARG A 38 1.701 0.779 9.763 1.00 70.54 H new ATOM 0 HG2 ARG A 38 3.988 2.755 10.121 1.00 72.52 H new ATOM 0 HG3 ARG A 38 2.314 3.233 9.920 1.00 72.52 H new ATOM 0 HD2 ARG A 38 2.794 3.234 12.286 1.00 62.22 H new ATOM 0 HD3 ARG A 38 1.720 1.887 11.966 1.00 62.22 H new ATOM 0 HE ARG A 38 4.436 0.970 11.828 1.00 33.31 H new ATOM 0 HH11 ARG A 38 2.078 2.151 14.199 1.00 21.32 H new ATOM 0 HH12 ARG A 38 2.754 1.177 15.509 1.00 21.32 H new ATOM 0 HH21 ARG A 38 5.263 -0.276 13.508 1.00 14.14 H new ATOM 0 HH22 ARG A 38 4.545 -0.188 15.120 1.00 14.14 H new ATOM 619 N TYR A 39 4.267 -1.749 8.157 1.00 21.40 N ATOM 620 CA TYR A 39 4.003 -2.914 7.317 1.00 11.53 C ATOM 621 C TYR A 39 3.774 -4.165 8.172 1.00 12.13 C ATOM 622 O TYR A 39 4.535 -4.445 9.103 1.00 43.25 O ATOM 623 CB TYR A 39 5.168 -3.146 6.343 1.00 31.34 C ATOM 624 CG TYR A 39 4.900 -4.227 5.306 1.00 35.04 C ATOM 625 CD1 TYR A 39 4.094 -3.969 4.201 1.00 34.12 C ATOM 626 CD2 TYR A 39 5.450 -5.501 5.431 1.00 74.20 C ATOM 627 CE1 TYR A 39 3.846 -4.944 3.254 1.00 53.40 C ATOM 628 CE2 TYR A 39 5.207 -6.480 4.485 1.00 61.22 C ATOM 629 CZ TYR A 39 4.404 -6.197 3.399 1.00 0.14 C ATOM 630 OH TYR A 39 4.157 -7.169 2.455 1.00 42.24 O ATOM 0 H TYR A 39 5.221 -1.394 8.096 1.00 21.40 H new ATOM 0 HA TYR A 39 3.096 -2.719 6.744 1.00 11.53 H new ATOM 0 HB2 TYR A 39 5.391 -2.211 5.829 1.00 31.34 H new ATOM 0 HB3 TYR A 39 6.057 -3.416 6.913 1.00 31.34 H new ATOM 0 HD1 TYR A 39 3.655 -2.990 4.082 1.00 34.12 H new ATOM 0 HD2 TYR A 39 6.077 -5.728 6.281 1.00 74.20 H new ATOM 0 HE1 TYR A 39 3.217 -4.726 2.403 1.00 53.40 H new ATOM 0 HE2 TYR A 39 5.644 -7.462 4.596 1.00 61.22 H new ATOM 0 HH TYR A 39 4.217 -6.777 1.559 1.00 42.24 H new ATOM 640 N SER A 40 2.727 -4.911 7.838 1.00 2.51 N ATOM 641 CA SER A 40 2.373 -6.129 8.558 1.00 71.04 C ATOM 642 C SER A 40 2.332 -7.312 7.590 1.00 71.33 C ATOM 643 O SER A 40 2.014 -7.150 6.409 1.00 53.12 O ATOM 644 CB SER A 40 1.014 -5.960 9.252 1.00 35.11 C ATOM 645 OG SER A 40 0.714 -7.080 10.069 1.00 75.24 O ATOM 0 H SER A 40 2.102 -4.690 7.063 1.00 2.51 H new ATOM 0 HA SER A 40 3.128 -6.323 9.320 1.00 71.04 H new ATOM 0 HB2 SER A 40 1.023 -5.055 9.859 1.00 35.11 H new ATOM 0 HB3 SER A 40 0.233 -5.833 8.502 1.00 35.11 H new ATOM 0 HG SER A 40 -0.156 -6.946 10.501 1.00 75.24 H new ATOM 651 N ASP A 41 2.643 -8.498 8.105 1.00 51.24 N ATOM 652 CA ASP A 41 2.715 -9.714 7.290 1.00 5.32 C ATOM 653 C ASP A 41 1.352 -10.073 6.700 1.00 22.13 C ATOM 654 O ASP A 41 1.265 -10.588 5.582 1.00 1.52 O ATOM 655 CB ASP A 41 3.248 -10.889 8.122 1.00 45.31 C ATOM 656 CG ASP A 41 4.699 -10.702 8.536 1.00 13.02 C ATOM 657 OD1 ASP A 41 4.948 -10.070 9.587 1.00 53.45 O ATOM 658 OD2 ASP A 41 5.594 -11.184 7.813 1.00 54.11 O ATOM 0 H ASP A 41 2.852 -8.647 9.092 1.00 51.24 H new ATOM 0 HA ASP A 41 3.402 -9.517 6.467 1.00 5.32 H new ATOM 0 HB2 ASP A 41 2.632 -11.007 9.014 1.00 45.31 H new ATOM 0 HB3 ASP A 41 3.154 -11.809 7.546 1.00 45.31 H new ATOM 663 N ILE A 42 0.290 -9.796 7.454 1.00 33.22 N ATOM 664 CA ILE A 42 -1.075 -10.085 7.005 1.00 12.45 C ATOM 665 C ILE A 42 -1.360 -9.400 5.665 1.00 15.42 C ATOM 666 O ILE A 42 -2.055 -9.945 4.805 1.00 45.24 O ATOM 667 CB ILE A 42 -2.125 -9.635 8.061 1.00 74.44 C ATOM 668 CG1 ILE A 42 -3.562 -9.873 7.554 1.00 63.44 C ATOM 669 CG2 ILE A 42 -1.926 -8.165 8.436 1.00 52.42 C ATOM 670 CD1 ILE A 42 -3.887 -11.327 7.268 1.00 32.25 C ATOM 0 H ILE A 42 0.346 -9.371 8.380 1.00 33.22 H new ATOM 0 HA ILE A 42 -1.156 -11.164 6.877 1.00 12.45 H new ATOM 0 HB ILE A 42 -1.976 -10.241 8.955 1.00 74.44 H new ATOM 0 HG12 ILE A 42 -4.265 -9.494 8.296 1.00 63.44 H new ATOM 0 HG13 ILE A 42 -3.715 -9.292 6.644 1.00 63.44 H new ATOM 0 HG21 ILE A 42 -2.672 -7.874 9.176 1.00 52.42 H new ATOM 0 HG22 ILE A 42 -0.928 -8.028 8.853 1.00 52.42 H new ATOM 0 HG23 ILE A 42 -2.036 -7.545 7.547 1.00 52.42 H new ATOM 0 HD11 ILE A 42 -4.916 -11.408 6.916 1.00 32.25 H new ATOM 0 HD12 ILE A 42 -3.211 -11.707 6.502 1.00 32.25 H new ATOM 0 HD13 ILE A 42 -3.769 -11.912 8.180 1.00 32.25 H new ATOM 682 N LEU A 43 -0.781 -8.216 5.486 1.00 62.50 N ATOM 683 CA LEU A 43 -1.014 -7.406 4.297 1.00 44.43 C ATOM 684 C LEU A 43 -0.390 -8.051 3.061 1.00 13.55 C ATOM 685 O LEU A 43 -0.923 -7.944 1.955 1.00 22.53 O ATOM 686 CB LEU A 43 -0.439 -6.001 4.507 1.00 72.12 C ATOM 687 CG LEU A 43 -1.008 -5.232 5.711 1.00 32.50 C ATOM 688 CD1 LEU A 43 -0.260 -3.919 5.911 1.00 14.55 C ATOM 689 CD2 LEU A 43 -2.507 -4.979 5.535 1.00 65.34 C ATOM 0 H LEU A 43 -0.140 -7.794 6.158 1.00 62.50 H new ATOM 0 HA LEU A 43 -2.089 -7.336 4.133 1.00 44.43 H new ATOM 0 HB2 LEU A 43 0.641 -6.082 4.626 1.00 72.12 H new ATOM 0 HB3 LEU A 43 -0.617 -5.415 3.605 1.00 72.12 H new ATOM 0 HG LEU A 43 -0.870 -5.844 6.602 1.00 32.50 H new ATOM 0 HD11 LEU A 43 -0.677 -3.389 6.767 1.00 14.55 H new ATOM 0 HD12 LEU A 43 0.795 -4.125 6.091 1.00 14.55 H new ATOM 0 HD13 LEU A 43 -0.362 -3.302 5.018 1.00 14.55 H new ATOM 0 HD21 LEU A 43 -2.888 -4.434 6.399 1.00 65.34 H new ATOM 0 HD22 LEU A 43 -2.673 -4.391 4.632 1.00 65.34 H new ATOM 0 HD23 LEU A 43 -3.029 -5.932 5.448 1.00 65.34 H new ATOM 701 N ASN A 44 0.730 -8.741 3.268 1.00 3.53 N ATOM 702 CA ASN A 44 1.497 -9.345 2.173 1.00 3.33 C ATOM 703 C ASN A 44 0.640 -10.323 1.370 1.00 12.53 C ATOM 704 O ASN A 44 0.794 -10.457 0.155 1.00 54.31 O ATOM 705 CB ASN A 44 2.728 -10.077 2.739 1.00 54.43 C ATOM 706 CG ASN A 44 3.640 -10.625 1.653 1.00 54.53 C ATOM 707 OD1 ASN A 44 3.478 -11.756 1.193 1.00 1.45 O ATOM 708 ND2 ASN A 44 4.614 -9.829 1.242 1.00 74.21 N ATOM 0 H ASN A 44 1.132 -8.898 4.192 1.00 3.53 H new ATOM 0 HA ASN A 44 1.820 -8.546 1.505 1.00 3.33 H new ATOM 0 HB2 ASN A 44 3.294 -9.392 3.370 1.00 54.43 H new ATOM 0 HB3 ASN A 44 2.396 -10.897 3.376 1.00 54.43 H new ATOM 0 HD21 ASN A 44 5.262 -10.146 0.521 1.00 74.21 H new ATOM 0 HD22 ASN A 44 4.717 -8.898 1.646 1.00 74.21 H new ATOM 715 N LYS A 45 -0.279 -10.985 2.063 1.00 12.50 N ATOM 716 CA LYS A 45 -1.113 -12.027 1.466 1.00 30.24 C ATOM 717 C LYS A 45 -2.136 -11.440 0.488 1.00 21.43 C ATOM 718 O LYS A 45 -2.624 -12.138 -0.402 1.00 24.11 O ATOM 719 CB LYS A 45 -1.810 -12.819 2.588 1.00 12.34 C ATOM 720 CG LYS A 45 -2.749 -13.940 2.119 1.00 72.43 C ATOM 721 CD LYS A 45 -4.190 -13.457 1.943 1.00 25.43 C ATOM 722 CE LYS A 45 -4.801 -12.971 3.258 1.00 65.42 C ATOM 723 NZ LYS A 45 -4.910 -14.063 4.263 1.00 34.44 N ATOM 0 H LYS A 45 -0.468 -10.817 3.051 1.00 12.50 H new ATOM 0 HA LYS A 45 -0.477 -12.699 0.890 1.00 30.24 H new ATOM 0 HB2 LYS A 45 -1.045 -13.254 3.231 1.00 12.34 H new ATOM 0 HB3 LYS A 45 -2.382 -12.122 3.200 1.00 12.34 H new ATOM 0 HG2 LYS A 45 -2.386 -14.343 1.174 1.00 72.43 H new ATOM 0 HG3 LYS A 45 -2.727 -14.755 2.842 1.00 72.43 H new ATOM 0 HD2 LYS A 45 -4.214 -12.648 1.213 1.00 25.43 H new ATOM 0 HD3 LYS A 45 -4.797 -14.268 1.540 1.00 25.43 H new ATOM 0 HE2 LYS A 45 -4.191 -12.165 3.665 1.00 65.42 H new ATOM 0 HE3 LYS A 45 -5.790 -12.556 3.066 1.00 65.42 H new ATOM 0 HZ1 LYS A 45 -5.450 -13.725 5.085 1.00 34.44 H new ATOM 0 HZ2 LYS A 45 -5.398 -14.878 3.839 1.00 34.44 H new ATOM 0 HZ3 LYS A 45 -3.958 -14.350 4.568 1.00 34.44 H new ATOM 737 N TYR A 46 -2.455 -10.162 0.649 1.00 42.23 N ATOM 738 CA TYR A 46 -3.471 -9.509 -0.178 1.00 61.41 C ATOM 739 C TYR A 46 -2.937 -9.194 -1.577 1.00 5.05 C ATOM 740 O TYR A 46 -3.712 -9.037 -2.524 1.00 33.42 O ATOM 741 CB TYR A 46 -3.964 -8.228 0.505 1.00 34.32 C ATOM 742 CG TYR A 46 -4.781 -8.474 1.761 1.00 35.33 C ATOM 743 CD1 TYR A 46 -6.145 -8.721 1.683 1.00 72.44 C ATOM 744 CD2 TYR A 46 -4.190 -8.453 3.019 1.00 32.20 C ATOM 745 CE1 TYR A 46 -6.898 -8.938 2.821 1.00 41.43 C ATOM 746 CE2 TYR A 46 -4.936 -8.671 4.161 1.00 71.43 C ATOM 747 CZ TYR A 46 -6.290 -8.915 4.057 1.00 33.53 C ATOM 748 OH TYR A 46 -7.041 -9.125 5.195 1.00 34.50 O ATOM 0 H TYR A 46 -2.026 -9.553 1.345 1.00 42.23 H new ATOM 0 HA TYR A 46 -4.307 -10.199 -0.290 1.00 61.41 H new ATOM 0 HB2 TYR A 46 -3.103 -7.609 0.759 1.00 34.32 H new ATOM 0 HB3 TYR A 46 -4.567 -7.660 -0.203 1.00 34.32 H new ATOM 0 HD1 TYR A 46 -6.626 -8.744 0.716 1.00 72.44 H new ATOM 0 HD2 TYR A 46 -3.130 -8.263 3.105 1.00 32.20 H new ATOM 0 HE1 TYR A 46 -7.959 -9.125 2.742 1.00 41.43 H new ATOM 0 HE2 TYR A 46 -4.461 -8.651 5.131 1.00 71.43 H new ATOM 0 HH TYR A 46 -6.461 -9.077 5.983 1.00 34.50 H new ATOM 758 N ASP A 47 -1.609 -9.112 -1.691 1.00 2.20 N ATOM 759 CA ASP A 47 -0.929 -8.769 -2.952 1.00 21.43 C ATOM 760 C ASP A 47 -1.132 -7.293 -3.321 1.00 34.12 C ATOM 761 O ASP A 47 -0.635 -6.831 -4.352 1.00 12.12 O ATOM 762 CB ASP A 47 -1.383 -9.667 -4.124 1.00 54.22 C ATOM 763 CG ASP A 47 -0.924 -11.114 -3.991 1.00 55.43 C ATOM 764 OD1 ASP A 47 0.300 -11.356 -3.978 1.00 74.45 O ATOM 765 OD2 ASP A 47 -1.785 -12.019 -3.912 1.00 64.04 O ATOM 0 H ASP A 47 -0.971 -9.281 -0.914 1.00 2.20 H new ATOM 0 HA ASP A 47 0.133 -8.945 -2.781 1.00 21.43 H new ATOM 0 HB2 ASP A 47 -2.471 -9.643 -4.190 1.00 54.22 H new ATOM 0 HB3 ASP A 47 -0.998 -9.256 -5.057 1.00 54.22 H new ATOM 770 N TYR A 48 -1.842 -6.557 -2.471 1.00 71.50 N ATOM 771 CA TYR A 48 -2.070 -5.128 -2.673 1.00 4.44 C ATOM 772 C TYR A 48 -1.958 -4.386 -1.351 1.00 51.35 C ATOM 773 O TYR A 48 -2.720 -4.645 -0.417 1.00 45.54 O ATOM 774 CB TYR A 48 -3.446 -4.868 -3.307 1.00 25.21 C ATOM 775 CG TYR A 48 -3.455 -4.987 -4.815 1.00 1.03 C ATOM 776 CD1 TYR A 48 -3.124 -3.896 -5.614 1.00 63.53 C ATOM 777 CD2 TYR A 48 -3.781 -6.184 -5.441 1.00 5.34 C ATOM 778 CE1 TYR A 48 -3.120 -3.996 -6.988 1.00 54.22 C ATOM 779 CE2 TYR A 48 -3.778 -6.286 -6.815 1.00 63.01 C ATOM 780 CZ TYR A 48 -3.446 -5.192 -7.584 1.00 13.01 C ATOM 781 OH TYR A 48 -3.436 -5.296 -8.956 1.00 45.50 O ATOM 0 H TYR A 48 -2.274 -6.931 -1.626 1.00 71.50 H new ATOM 0 HA TYR A 48 -1.306 -4.760 -3.357 1.00 4.44 H new ATOM 0 HB2 TYR A 48 -4.166 -5.573 -2.892 1.00 25.21 H new ATOM 0 HB3 TYR A 48 -3.781 -3.869 -3.029 1.00 25.21 H new ATOM 0 HD1 TYR A 48 -2.866 -2.956 -5.149 1.00 63.53 H new ATOM 0 HD2 TYR A 48 -4.040 -7.045 -4.843 1.00 5.34 H new ATOM 0 HE1 TYR A 48 -2.862 -3.140 -7.594 1.00 54.22 H new ATOM 0 HE2 TYR A 48 -4.035 -7.222 -7.288 1.00 63.01 H new ATOM 0 HH TYR A 48 -3.657 -4.427 -9.352 1.00 45.50 H new ATOM 791 N ILE A 49 -0.995 -3.473 -1.277 1.00 74.42 N ATOM 792 CA ILE A 49 -0.795 -2.659 -0.089 1.00 22.14 C ATOM 793 C ILE A 49 -1.173 -1.214 -0.396 1.00 24.42 C ATOM 794 O ILE A 49 -0.527 -0.560 -1.218 1.00 4.32 O ATOM 795 CB ILE A 49 0.677 -2.701 0.401 1.00 71.33 C ATOM 796 CG1 ILE A 49 1.237 -4.137 0.362 1.00 52.12 C ATOM 797 CG2 ILE A 49 0.772 -2.122 1.813 1.00 73.11 C ATOM 798 CD1 ILE A 49 0.502 -5.109 1.257 1.00 44.30 C ATOM 0 H ILE A 49 -0.338 -3.279 -2.033 1.00 74.42 H new ATOM 0 HA ILE A 49 -1.428 -3.064 0.701 1.00 22.14 H new ATOM 0 HB ILE A 49 1.282 -2.093 -0.272 1.00 71.33 H new ATOM 0 HG12 ILE A 49 1.198 -4.503 -0.664 1.00 52.12 H new ATOM 0 HG13 ILE A 49 2.287 -4.114 0.653 1.00 52.12 H new ATOM 0 HG21 ILE A 49 1.808 -2.155 2.151 1.00 73.11 H new ATOM 0 HG22 ILE A 49 0.425 -1.089 1.807 1.00 73.11 H new ATOM 0 HG23 ILE A 49 0.151 -2.709 2.490 1.00 73.11 H new ATOM 0 HD11 ILE A 49 0.956 -6.096 1.173 1.00 44.30 H new ATOM 0 HD12 ILE A 49 0.562 -4.769 2.291 1.00 44.30 H new ATOM 0 HD13 ILE A 49 -0.543 -5.164 0.954 1.00 44.30 H new ATOM 810 N VAL A 50 -2.227 -0.728 0.243 1.00 20.22 N ATOM 811 CA VAL A 50 -2.668 0.650 0.070 1.00 5.45 C ATOM 812 C VAL A 50 -2.446 1.430 1.358 1.00 41.31 C ATOM 813 O VAL A 50 -3.059 1.134 2.379 1.00 10.23 O ATOM 814 CB VAL A 50 -4.165 0.727 -0.319 1.00 55.23 C ATOM 815 CG1 VAL A 50 -4.602 2.180 -0.504 1.00 71.32 C ATOM 816 CG2 VAL A 50 -4.440 -0.093 -1.581 1.00 15.52 C ATOM 0 H VAL A 50 -2.797 -1.272 0.891 1.00 20.22 H new ATOM 0 HA VAL A 50 -2.081 1.085 -0.739 1.00 5.45 H new ATOM 0 HB VAL A 50 -4.752 0.300 0.494 1.00 55.23 H new ATOM 0 HG11 VAL A 50 -5.657 2.211 -0.777 1.00 71.32 H new ATOM 0 HG12 VAL A 50 -4.452 2.726 0.427 1.00 71.32 H new ATOM 0 HG13 VAL A 50 -4.009 2.640 -1.294 1.00 71.32 H new ATOM 0 HG21 VAL A 50 -5.498 -0.025 -1.836 1.00 15.52 H new ATOM 0 HG22 VAL A 50 -3.842 0.296 -2.405 1.00 15.52 H new ATOM 0 HG23 VAL A 50 -4.176 -1.135 -1.402 1.00 15.52 H new ATOM 826 N GLY A 51 -1.549 2.402 1.315 1.00 52.32 N ATOM 827 CA GLY A 51 -1.303 3.237 2.475 1.00 64.51 C ATOM 828 C GLY A 51 -1.970 4.587 2.322 1.00 73.13 C ATOM 829 O GLY A 51 -1.686 5.306 1.365 1.00 13.15 O ATOM 0 H GLY A 51 -0.985 2.629 0.496 1.00 52.32 H new ATOM 0 HA2 GLY A 51 -1.678 2.741 3.370 1.00 64.51 H new ATOM 0 HA3 GLY A 51 -0.230 3.371 2.610 1.00 64.51 H new ATOM 833 N ASP A 52 -2.862 4.928 3.247 1.00 21.05 N ATOM 834 CA ASP A 52 -3.583 6.199 3.197 1.00 55.11 C ATOM 835 C ASP A 52 -3.351 6.987 4.480 1.00 73.30 C ATOM 836 O ASP A 52 -3.039 6.417 5.527 1.00 24.54 O ATOM 837 CB ASP A 52 -5.093 5.967 2.979 1.00 21.33 C ATOM 838 CG ASP A 52 -5.835 5.553 4.249 1.00 64.13 C ATOM 839 OD1 ASP A 52 -5.842 4.348 4.581 1.00 72.55 O ATOM 840 OD2 ASP A 52 -6.423 6.439 4.910 1.00 10.24 O ATOM 0 H ASP A 52 -3.105 4.340 4.044 1.00 21.05 H new ATOM 0 HA ASP A 52 -3.201 6.775 2.354 1.00 55.11 H new ATOM 0 HB2 ASP A 52 -5.540 6.881 2.588 1.00 21.33 H new ATOM 0 HB3 ASP A 52 -5.228 5.196 2.221 1.00 21.33 H new ATOM 845 N TRP A 53 -3.481 8.305 4.382 1.00 5.43 N ATOM 846 CA TRP A 53 -3.360 9.183 5.541 1.00 64.21 C ATOM 847 C TRP A 53 -4.742 9.679 5.974 1.00 72.11 C ATOM 848 O TRP A 53 -4.863 10.474 6.910 1.00 15.54 O ATOM 849 CB TRP A 53 -2.444 10.375 5.212 1.00 13.24 C ATOM 850 CG TRP A 53 -1.012 9.989 4.933 1.00 1.43 C ATOM 851 CD1 TRP A 53 -0.496 9.532 3.754 1.00 71.43 C ATOM 852 CD2 TRP A 53 0.083 10.037 5.855 1.00 31.13 C ATOM 853 NE1 TRP A 53 0.854 9.294 3.888 1.00 24.14 N ATOM 854 CE2 TRP A 53 1.232 9.595 5.169 1.00 1.43 C ATOM 855 CE3 TRP A 53 0.203 10.412 7.197 1.00 12.31 C ATOM 856 CZ2 TRP A 53 2.481 9.517 5.780 1.00 72.23 C ATOM 857 CZ3 TRP A 53 1.444 10.334 7.800 1.00 65.25 C ATOM 858 CH2 TRP A 53 2.568 9.890 7.094 1.00 13.11 C ATOM 0 H TRP A 53 -3.671 8.792 3.506 1.00 5.43 H new ATOM 0 HA TRP A 53 -2.918 8.620 6.363 1.00 64.21 H new ATOM 0 HB2 TRP A 53 -2.844 10.899 4.344 1.00 13.24 H new ATOM 0 HB3 TRP A 53 -2.465 11.077 6.046 1.00 13.24 H new ATOM 0 HD1 TRP A 53 -1.064 9.379 2.848 1.00 71.43 H new ATOM 0 HE1 TRP A 53 1.471 8.950 3.153 1.00 24.14 H new ATOM 0 HE3 TRP A 53 -0.658 10.756 7.751 1.00 12.31 H new ATOM 0 HZ2 TRP A 53 3.349 9.175 5.237 1.00 72.23 H new ATOM 0 HZ3 TRP A 53 1.549 10.621 8.836 1.00 65.25 H new ATOM 0 HH2 TRP A 53 3.523 9.841 7.596 1.00 13.11 H new ATOM 869 N GLY A 54 -5.786 9.182 5.309 1.00 51.42 N ATOM 870 CA GLY A 54 -7.142 9.648 5.565 1.00 53.40 C ATOM 871 C GLY A 54 -7.747 9.013 6.802 1.00 53.13 C ATOM 872 O GLY A 54 -8.693 9.544 7.392 1.00 11.23 O ATOM 0 H GLY A 54 -5.715 8.460 4.592 1.00 51.42 H new ATOM 0 HA2 GLY A 54 -7.135 10.732 5.683 1.00 53.40 H new ATOM 0 HA3 GLY A 54 -7.769 9.425 4.702 1.00 53.40 H new ATOM 876 N TYR A 55 -7.198 7.868 7.189 1.00 61.25 N ATOM 877 CA TYR A 55 -7.597 7.176 8.412 1.00 12.20 C ATOM 878 C TYR A 55 -7.268 8.026 9.645 1.00 41.13 C ATOM 879 O TYR A 55 -7.738 7.746 10.748 1.00 54.14 O ATOM 880 CB TYR A 55 -6.875 5.820 8.482 1.00 24.40 C ATOM 881 CG TYR A 55 -7.238 4.963 9.685 1.00 64.33 C ATOM 882 CD1 TYR A 55 -8.516 4.433 9.830 1.00 64.21 C ATOM 883 CD2 TYR A 55 -6.298 4.678 10.670 1.00 50.02 C ATOM 884 CE1 TYR A 55 -8.844 3.647 10.918 1.00 55.23 C ATOM 885 CE2 TYR A 55 -6.620 3.889 11.757 1.00 64.22 C ATOM 886 CZ TYR A 55 -7.893 3.376 11.878 1.00 11.24 C ATOM 887 OH TYR A 55 -8.216 2.585 12.962 1.00 60.44 O ATOM 0 H TYR A 55 -6.464 7.392 6.665 1.00 61.25 H new ATOM 0 HA TYR A 55 -8.674 7.011 8.398 1.00 12.20 H new ATOM 0 HB2 TYR A 55 -7.097 5.259 7.574 1.00 24.40 H new ATOM 0 HB3 TYR A 55 -5.800 5.997 8.492 1.00 24.40 H new ATOM 0 HD1 TYR A 55 -9.265 4.639 9.079 1.00 64.21 H new ATOM 0 HD2 TYR A 55 -5.300 5.080 10.583 1.00 50.02 H new ATOM 0 HE1 TYR A 55 -9.842 3.246 11.016 1.00 55.23 H new ATOM 0 HE2 TYR A 55 -5.876 3.675 12.510 1.00 64.22 H new ATOM 0 HH TYR A 55 -7.433 2.491 13.544 1.00 60.44 H new ATOM 897 N GLY A 56 -6.466 9.068 9.444 1.00 4.01 N ATOM 898 CA GLY A 56 -6.033 9.927 10.534 1.00 34.34 C ATOM 899 C GLY A 56 -4.545 9.787 10.764 1.00 1.04 C ATOM 900 O GLY A 56 -3.822 10.779 10.903 1.00 51.10 O ATOM 0 H GLY A 56 -6.103 9.336 8.529 1.00 4.01 H new ATOM 0 HA2 GLY A 56 -6.275 10.965 10.304 1.00 34.34 H new ATOM 0 HA3 GLY A 56 -6.573 9.668 11.445 1.00 34.34 H new ATOM 904 N GLN A 57 -4.095 8.540 10.800 1.00 41.34 N ATOM 905 CA GLN A 57 -2.674 8.209 10.844 1.00 0.40 C ATOM 906 C GLN A 57 -2.303 7.457 9.572 1.00 61.03 C ATOM 907 O GLN A 57 -3.182 7.099 8.788 1.00 12.10 O ATOM 908 CB GLN A 57 -2.363 7.347 12.077 1.00 32.30 C ATOM 909 CG GLN A 57 -2.589 8.062 13.402 1.00 10.53 C ATOM 910 CD GLN A 57 -1.620 9.210 13.623 1.00 25.11 C ATOM 911 OE1 GLN A 57 -0.544 9.026 14.192 1.00 0.40 O ATOM 912 NE2 GLN A 57 -1.985 10.400 13.164 1.00 1.54 N ATOM 0 H GLN A 57 -4.707 7.724 10.800 1.00 41.34 H new ATOM 0 HA GLN A 57 -2.089 9.126 10.913 1.00 0.40 H new ATOM 0 HB2 GLN A 57 -2.984 6.451 12.048 1.00 32.30 H new ATOM 0 HB3 GLN A 57 -1.325 7.017 12.025 1.00 32.30 H new ATOM 0 HG2 GLN A 57 -3.610 8.443 13.435 1.00 10.53 H new ATOM 0 HG3 GLN A 57 -2.489 7.346 14.218 1.00 10.53 H new ATOM 0 HE21 GLN A 57 -2.885 10.513 12.698 1.00 1.54 H new ATOM 0 HE22 GLN A 57 -1.365 11.202 13.277 1.00 1.54 H new ATOM 921 N LEU A 58 -1.011 7.228 9.361 1.00 65.22 N ATOM 922 CA LEU A 58 -0.547 6.454 8.214 1.00 54.21 C ATOM 923 C LEU A 58 -1.008 5.003 8.365 1.00 63.23 C ATOM 924 O LEU A 58 -0.443 4.235 9.147 1.00 21.01 O ATOM 925 CB LEU A 58 0.988 6.556 8.090 1.00 64.54 C ATOM 926 CG LEU A 58 1.644 5.890 6.853 1.00 33.43 C ATOM 927 CD1 LEU A 58 1.903 4.406 7.087 1.00 3.24 C ATOM 928 CD2 LEU A 58 0.787 6.088 5.601 1.00 32.34 C ATOM 0 H LEU A 58 -0.266 7.567 9.969 1.00 65.22 H new ATOM 0 HA LEU A 58 -0.975 6.856 7.296 1.00 54.21 H new ATOM 0 HB2 LEU A 58 1.257 7.612 8.088 1.00 64.54 H new ATOM 0 HB3 LEU A 58 1.429 6.116 8.984 1.00 64.54 H new ATOM 0 HG LEU A 58 2.605 6.380 6.696 1.00 33.43 H new ATOM 0 HD11 LEU A 58 2.363 3.973 6.199 1.00 3.24 H new ATOM 0 HD12 LEU A 58 2.572 4.283 7.939 1.00 3.24 H new ATOM 0 HD13 LEU A 58 0.959 3.900 7.290 1.00 3.24 H new ATOM 0 HD21 LEU A 58 1.271 5.611 4.749 1.00 32.34 H new ATOM 0 HD22 LEU A 58 -0.195 5.641 5.758 1.00 32.34 H new ATOM 0 HD23 LEU A 58 0.673 7.154 5.403 1.00 32.34 H new ATOM 940 N ARG A 59 -2.063 4.651 7.637 1.00 25.12 N ATOM 941 CA ARG A 59 -2.663 3.325 7.719 1.00 64.22 C ATOM 942 C ARG A 59 -2.432 2.545 6.429 1.00 34.23 C ATOM 943 O ARG A 59 -2.530 3.094 5.335 1.00 50.10 O ATOM 944 CB ARG A 59 -4.172 3.440 7.987 1.00 61.02 C ATOM 945 CG ARG A 59 -4.899 2.098 8.019 1.00 13.24 C ATOM 946 CD ARG A 59 -4.435 1.226 9.183 1.00 3.35 C ATOM 947 NE ARG A 59 -4.907 -0.154 9.054 1.00 35.33 N ATOM 948 CZ ARG A 59 -5.102 -0.987 10.078 1.00 52.43 C ATOM 949 NH1 ARG A 59 -4.915 -0.575 11.328 1.00 25.43 N ATOM 950 NH2 ARG A 59 -5.499 -2.232 9.851 1.00 72.51 N ATOM 0 H ARG A 59 -2.525 5.275 6.976 1.00 25.12 H new ATOM 0 HA ARG A 59 -2.189 2.790 8.542 1.00 64.22 H new ATOM 0 HB2 ARG A 59 -4.324 3.947 8.940 1.00 61.02 H new ATOM 0 HB3 ARG A 59 -4.621 4.067 7.217 1.00 61.02 H new ATOM 0 HG2 ARG A 59 -5.973 2.269 8.099 1.00 13.24 H new ATOM 0 HG3 ARG A 59 -4.729 1.571 7.080 1.00 13.24 H new ATOM 0 HD2 ARG A 59 -3.346 1.234 9.231 1.00 3.35 H new ATOM 0 HD3 ARG A 59 -4.799 1.648 10.120 1.00 3.35 H new ATOM 0 HE ARG A 59 -5.100 -0.503 8.115 1.00 35.33 H new ATOM 0 HH11 ARG A 59 -4.620 0.384 11.510 1.00 25.43 H new ATOM 0 HH12 ARG A 59 -5.066 -1.218 12.105 1.00 25.43 H new ATOM 0 HH21 ARG A 59 -5.655 -2.551 8.895 1.00 72.51 H new ATOM 0 HH22 ARG A 59 -5.649 -2.870 10.633 1.00 72.51 H new ATOM 964 N LEU A 60 -2.103 1.265 6.572 1.00 35.14 N ATOM 965 CA LEU A 60 -2.023 0.354 5.435 1.00 42.01 C ATOM 966 C LEU A 60 -3.248 -0.555 5.436 1.00 10.21 C ATOM 967 O LEU A 60 -3.632 -1.094 6.480 1.00 52.21 O ATOM 968 CB LEU A 60 -0.737 -0.496 5.483 1.00 51.55 C ATOM 969 CG LEU A 60 0.585 0.246 5.187 1.00 14.15 C ATOM 970 CD1 LEU A 60 0.887 1.285 6.258 1.00 21.32 C ATOM 971 CD2 LEU A 60 1.743 -0.745 5.060 1.00 32.21 C ATOM 0 H LEU A 60 -1.886 0.833 7.470 1.00 35.14 H new ATOM 0 HA LEU A 60 -1.996 0.944 4.519 1.00 42.01 H new ATOM 0 HB2 LEU A 60 -0.662 -0.947 6.472 1.00 51.55 H new ATOM 0 HB3 LEU A 60 -0.839 -1.312 4.767 1.00 51.55 H new ATOM 0 HG LEU A 60 0.468 0.768 4.237 1.00 14.15 H new ATOM 0 HD11 LEU A 60 1.824 1.790 6.021 1.00 21.32 H new ATOM 0 HD12 LEU A 60 0.079 2.016 6.294 1.00 21.32 H new ATOM 0 HD13 LEU A 60 0.975 0.794 7.227 1.00 21.32 H new ATOM 0 HD21 LEU A 60 2.665 -0.202 4.851 1.00 32.21 H new ATOM 0 HD22 LEU A 60 1.851 -1.300 5.992 1.00 32.21 H new ATOM 0 HD23 LEU A 60 1.539 -1.440 4.246 1.00 32.21 H new ATOM 983 N LYS A 61 -3.872 -0.699 4.279 1.00 4.05 N ATOM 984 CA LYS A 61 -5.046 -1.548 4.127 1.00 71.23 C ATOM 985 C LYS A 61 -4.805 -2.514 2.969 1.00 65.21 C ATOM 986 O LYS A 61 -4.353 -2.106 1.897 1.00 25.12 O ATOM 987 CB LYS A 61 -6.293 -0.678 3.870 1.00 22.00 C ATOM 988 CG LYS A 61 -7.624 -1.299 4.313 1.00 33.02 C ATOM 989 CD LYS A 61 -7.971 -2.575 3.550 1.00 40.02 C ATOM 990 CE LYS A 61 -9.364 -3.084 3.899 1.00 53.11 C ATOM 991 NZ LYS A 61 -9.517 -3.359 5.354 1.00 42.43 N ATOM 0 H LYS A 61 -3.582 -0.233 3.419 1.00 4.05 H new ATOM 0 HA LYS A 61 -5.218 -2.120 5.039 1.00 71.23 H new ATOM 0 HB2 LYS A 61 -6.165 0.274 4.385 1.00 22.00 H new ATOM 0 HB3 LYS A 61 -6.350 -0.458 2.804 1.00 22.00 H new ATOM 0 HG2 LYS A 61 -7.578 -1.521 5.379 1.00 33.02 H new ATOM 0 HG3 LYS A 61 -8.423 -0.570 4.174 1.00 33.02 H new ATOM 0 HD2 LYS A 61 -7.912 -2.385 2.478 1.00 40.02 H new ATOM 0 HD3 LYS A 61 -7.235 -3.346 3.778 1.00 40.02 H new ATOM 0 HE2 LYS A 61 -10.105 -2.347 3.591 1.00 53.11 H new ATOM 0 HE3 LYS A 61 -9.567 -3.995 3.336 1.00 53.11 H new ATOM 0 HZ1 LYS A 61 -10.437 -3.813 5.527 1.00 42.43 H new ATOM 0 HZ2 LYS A 61 -8.754 -3.991 5.670 1.00 42.43 H new ATOM 0 HZ3 LYS A 61 -9.468 -2.465 5.883 1.00 42.43 H new ATOM 1005 N GLY A 62 -5.093 -3.788 3.197 1.00 33.24 N ATOM 1006 CA GLY A 62 -4.885 -4.801 2.180 1.00 74.51 C ATOM 1007 C GLY A 62 -6.163 -5.136 1.437 1.00 52.25 C ATOM 1008 O GLY A 62 -7.205 -5.364 2.058 1.00 11.53 O ATOM 0 H GLY A 62 -5.470 -4.141 4.076 1.00 33.24 H new ATOM 0 HA2 GLY A 62 -4.135 -4.452 1.470 1.00 74.51 H new ATOM 0 HA3 GLY A 62 -4.489 -5.704 2.645 1.00 74.51 H new ATOM 1012 N PHE A 63 -6.084 -5.158 0.111 1.00 72.43 N ATOM 1013 CA PHE A 63 -7.212 -5.537 -0.743 1.00 35.35 C ATOM 1014 C PHE A 63 -6.799 -6.696 -1.642 1.00 52.20 C ATOM 1015 O PHE A 63 -5.613 -6.989 -1.772 1.00 15.43 O ATOM 1016 CB PHE A 63 -7.665 -4.355 -1.616 1.00 31.14 C ATOM 1017 CG PHE A 63 -8.159 -3.156 -0.844 1.00 40.03 C ATOM 1018 CD1 PHE A 63 -9.490 -3.057 -0.465 1.00 62.41 C ATOM 1019 CD2 PHE A 63 -7.293 -2.121 -0.513 1.00 31.31 C ATOM 1020 CE1 PHE A 63 -9.947 -1.950 0.227 1.00 62.43 C ATOM 1021 CE2 PHE A 63 -7.747 -1.015 0.181 1.00 74.42 C ATOM 1022 CZ PHE A 63 -9.074 -0.929 0.551 1.00 62.51 C ATOM 0 H PHE A 63 -5.239 -4.914 -0.405 1.00 72.43 H new ATOM 0 HA PHE A 63 -8.043 -5.834 -0.103 1.00 35.35 H new ATOM 0 HB2 PHE A 63 -6.832 -4.046 -2.247 1.00 31.14 H new ATOM 0 HB3 PHE A 63 -8.459 -4.695 -2.281 1.00 31.14 H new ATOM 0 HD1 PHE A 63 -10.177 -3.853 -0.713 1.00 62.41 H new ATOM 0 HD2 PHE A 63 -6.254 -2.181 -0.801 1.00 31.31 H new ATOM 0 HE1 PHE A 63 -10.986 -1.884 0.514 1.00 62.43 H new ATOM 0 HE2 PHE A 63 -7.063 -0.218 0.434 1.00 74.42 H new ATOM 0 HZ PHE A 63 -9.429 -0.065 1.093 1.00 62.51 H new ATOM 1032 N PHE A 64 -7.769 -7.340 -2.278 1.00 4.44 N ATOM 1033 CA PHE A 64 -7.476 -8.410 -3.227 1.00 13.33 C ATOM 1034 C PHE A 64 -7.624 -7.893 -4.650 1.00 73.33 C ATOM 1035 O PHE A 64 -8.362 -6.931 -4.892 1.00 11.55 O ATOM 1036 CB PHE A 64 -8.406 -9.613 -3.005 1.00 10.23 C ATOM 1037 CG PHE A 64 -8.144 -10.365 -1.722 1.00 45.44 C ATOM 1038 CD1 PHE A 64 -7.126 -11.305 -1.651 1.00 50.43 C ATOM 1039 CD2 PHE A 64 -8.918 -10.138 -0.592 1.00 52.32 C ATOM 1040 CE1 PHE A 64 -6.886 -12.003 -0.482 1.00 20.41 C ATOM 1041 CE2 PHE A 64 -8.681 -10.833 0.579 1.00 52.52 C ATOM 1042 CZ PHE A 64 -7.664 -11.767 0.634 1.00 60.21 C ATOM 0 H PHE A 64 -8.762 -7.142 -2.156 1.00 4.44 H new ATOM 0 HA PHE A 64 -6.449 -8.740 -3.067 1.00 13.33 H new ATOM 0 HB2 PHE A 64 -9.439 -9.265 -3.005 1.00 10.23 H new ATOM 0 HB3 PHE A 64 -8.301 -10.300 -3.845 1.00 10.23 H new ATOM 0 HD1 PHE A 64 -6.513 -11.494 -2.520 1.00 50.43 H new ATOM 0 HD2 PHE A 64 -9.715 -9.410 -0.628 1.00 52.32 H new ATOM 0 HE1 PHE A 64 -6.091 -12.732 -0.442 1.00 20.41 H new ATOM 0 HE2 PHE A 64 -9.290 -10.646 1.451 1.00 52.52 H new ATOM 0 HZ PHE A 64 -7.478 -12.311 1.548 1.00 60.21 H new ATOM 1052 N ASP A 65 -6.907 -8.526 -5.580 1.00 54.24 N ATOM 1053 CA ASP A 65 -6.905 -8.115 -6.982 1.00 21.24 C ATOM 1054 C ASP A 65 -8.345 -7.976 -7.478 1.00 34.22 C ATOM 1055 O ASP A 65 -9.061 -8.971 -7.635 1.00 43.30 O ATOM 1056 CB ASP A 65 -6.130 -9.136 -7.833 1.00 43.32 C ATOM 1057 CG ASP A 65 -5.436 -8.506 -9.035 1.00 11.13 C ATOM 1058 OD1 ASP A 65 -6.126 -7.945 -9.906 1.00 11.10 O ATOM 1059 OD2 ASP A 65 -4.184 -8.574 -9.113 1.00 44.02 O ATOM 0 H ASP A 65 -6.315 -9.333 -5.383 1.00 54.24 H new ATOM 0 HA ASP A 65 -6.408 -7.149 -7.075 1.00 21.24 H new ATOM 0 HB2 ASP A 65 -5.386 -9.630 -7.209 1.00 43.32 H new ATOM 0 HB3 ASP A 65 -6.817 -9.907 -8.181 1.00 43.32 H new ATOM 1064 N ASP A 66 -8.760 -6.734 -7.690 1.00 21.42 N ATOM 1065 CA ASP A 66 -10.160 -6.407 -7.961 1.00 2.13 C ATOM 1066 C ASP A 66 -10.431 -6.397 -9.461 1.00 74.04 C ATOM 1067 O ASP A 66 -10.989 -7.354 -10.010 1.00 14.00 O ATOM 1068 CB ASP A 66 -10.487 -5.043 -7.340 1.00 14.32 C ATOM 1069 CG ASP A 66 -11.971 -4.705 -7.341 1.00 73.31 C ATOM 1070 OD1 ASP A 66 -12.451 -4.099 -8.321 1.00 31.12 O ATOM 1071 OD2 ASP A 66 -12.650 -5.007 -6.337 1.00 60.11 O ATOM 0 H ASP A 66 -8.140 -5.924 -7.680 1.00 21.42 H new ATOM 0 HA ASP A 66 -10.801 -7.168 -7.515 1.00 2.13 H new ATOM 0 HB2 ASP A 66 -10.121 -5.025 -6.313 1.00 14.32 H new ATOM 0 HB3 ASP A 66 -9.947 -4.268 -7.885 1.00 14.32 H new ATOM 1205 N THR A 75 -4.266 -2.060 -12.492 1.00 33.22 N ATOM 1206 CA THR A 75 -4.146 -1.793 -11.069 1.00 64.30 C ATOM 1207 C THR A 75 -5.212 -0.801 -10.604 1.00 42.31 C ATOM 1208 O THR A 75 -4.929 0.374 -10.347 1.00 44.55 O ATOM 1209 CB THR A 75 -2.732 -1.280 -10.714 1.00 61.33 C ATOM 1210 OG1 THR A 75 -2.369 -0.199 -11.581 1.00 10.12 O ATOM 1211 CG2 THR A 75 -1.699 -2.397 -10.836 1.00 0.11 C ATOM 0 HA THR A 75 -4.305 -2.734 -10.543 1.00 64.30 H new ATOM 0 HB THR A 75 -2.749 -0.931 -9.681 1.00 61.33 H new ATOM 0 HG1 THR A 75 -2.868 -0.272 -12.421 1.00 10.12 H new ATOM 0 HG21 THR A 75 -0.713 -2.010 -10.581 1.00 0.11 H new ATOM 0 HG22 THR A 75 -1.958 -3.208 -10.155 1.00 0.11 H new ATOM 0 HG23 THR A 75 -1.688 -2.772 -11.859 1.00 0.11 H new ATOM 1219 N LYS A 76 -6.449 -1.277 -10.540 1.00 71.35 N ATOM 1220 CA LYS A 76 -7.562 -0.482 -10.037 1.00 72.32 C ATOM 1221 C LYS A 76 -8.476 -1.362 -9.193 1.00 1.14 C ATOM 1222 O LYS A 76 -8.746 -2.513 -9.544 1.00 12.45 O ATOM 1223 CB LYS A 76 -8.350 0.163 -11.193 1.00 44.13 C ATOM 1224 CG LYS A 76 -9.489 1.080 -10.735 1.00 3.22 C ATOM 1225 CD LYS A 76 -8.975 2.252 -9.893 1.00 34.32 C ATOM 1226 CE LYS A 76 -10.111 3.136 -9.380 1.00 22.02 C ATOM 1227 NZ LYS A 76 -10.865 3.787 -10.484 1.00 21.23 N ATOM 0 H LYS A 76 -6.708 -2.219 -10.833 1.00 71.35 H new ATOM 0 HA LYS A 76 -7.165 0.323 -9.418 1.00 72.32 H new ATOM 0 HB2 LYS A 76 -7.661 0.738 -11.812 1.00 44.13 H new ATOM 0 HB3 LYS A 76 -8.763 -0.626 -11.822 1.00 44.13 H new ATOM 0 HG2 LYS A 76 -10.019 1.464 -11.607 1.00 3.22 H new ATOM 0 HG3 LYS A 76 -10.208 0.503 -10.154 1.00 3.22 H new ATOM 0 HD2 LYS A 76 -8.406 1.867 -9.047 1.00 34.32 H new ATOM 0 HD3 LYS A 76 -8.290 2.854 -10.491 1.00 34.32 H new ATOM 0 HE2 LYS A 76 -10.795 2.534 -8.782 1.00 22.02 H new ATOM 0 HE3 LYS A 76 -9.702 3.902 -8.721 1.00 22.02 H new ATOM 0 HZ1 LYS A 76 -11.557 4.453 -10.086 1.00 21.23 H new ATOM 0 HZ2 LYS A 76 -10.204 4.302 -11.100 1.00 21.23 H new ATOM 0 HZ3 LYS A 76 -11.362 3.062 -11.040 1.00 21.23 H new ATOM 1241 N ILE A 77 -8.935 -0.825 -8.071 1.00 1.54 N ATOM 1242 CA ILE A 77 -9.771 -1.569 -7.141 1.00 25.20 C ATOM 1243 C ILE A 77 -11.062 -0.792 -6.876 1.00 40.55 C ATOM 1244 O ILE A 77 -11.026 0.320 -6.344 1.00 50.55 O ATOM 1245 CB ILE A 77 -9.012 -1.831 -5.811 1.00 42.35 C ATOM 1246 CG1 ILE A 77 -7.685 -2.560 -6.090 1.00 14.52 C ATOM 1247 CG2 ILE A 77 -9.869 -2.633 -4.835 1.00 1.30 C ATOM 1248 CD1 ILE A 77 -6.831 -2.791 -4.858 1.00 33.32 C ATOM 0 H ILE A 77 -8.739 0.133 -7.781 1.00 1.54 H new ATOM 0 HA ILE A 77 -10.020 -2.534 -7.583 1.00 25.20 H new ATOM 0 HB ILE A 77 -8.794 -0.868 -5.349 1.00 42.35 H new ATOM 0 HG12 ILE A 77 -7.903 -3.522 -6.553 1.00 14.52 H new ATOM 0 HG13 ILE A 77 -7.111 -1.981 -6.813 1.00 14.52 H new ATOM 0 HG21 ILE A 77 -9.311 -2.801 -3.914 1.00 1.30 H new ATOM 0 HG22 ILE A 77 -10.781 -2.079 -4.611 1.00 1.30 H new ATOM 0 HG23 ILE A 77 -10.128 -3.593 -5.282 1.00 1.30 H new ATOM 0 HD11 ILE A 77 -5.915 -3.310 -5.142 1.00 33.32 H new ATOM 0 HD12 ILE A 77 -6.579 -1.832 -4.405 1.00 33.32 H new ATOM 0 HD13 ILE A 77 -7.384 -3.398 -4.141 1.00 33.32 H new ATOM 1260 N SER A 78 -12.194 -1.375 -7.269 1.00 62.35 N ATOM 1261 CA SER A 78 -13.497 -0.723 -7.135 1.00 23.43 C ATOM 1262 C SER A 78 -13.776 -0.343 -5.678 1.00 71.33 C ATOM 1263 O SER A 78 -14.072 0.816 -5.376 1.00 52.44 O ATOM 1264 CB SER A 78 -14.606 -1.646 -7.670 1.00 33.44 C ATOM 1265 OG SER A 78 -15.871 -1.005 -7.649 1.00 73.53 O ATOM 0 H SER A 78 -12.235 -2.305 -7.686 1.00 62.35 H new ATOM 0 HA SER A 78 -13.483 0.194 -7.724 1.00 23.43 H new ATOM 0 HB2 SER A 78 -14.368 -1.950 -8.689 1.00 33.44 H new ATOM 0 HB3 SER A 78 -14.647 -2.554 -7.068 1.00 33.44 H new ATOM 0 HG SER A 78 -16.553 -1.617 -7.996 1.00 73.53 H new ATOM 1271 N THR A 79 -13.651 -1.315 -4.774 1.00 20.02 N ATOM 1272 CA THR A 79 -13.905 -1.078 -3.354 1.00 2.21 C ATOM 1273 C THR A 79 -12.929 -0.039 -2.789 1.00 62.42 C ATOM 1274 O THR A 79 -13.222 0.626 -1.795 1.00 54.40 O ATOM 1275 CB THR A 79 -13.829 -2.395 -2.538 1.00 51.10 C ATOM 1276 OG1 THR A 79 -14.123 -2.151 -1.154 1.00 52.33 O ATOM 1277 CG2 THR A 79 -12.458 -3.048 -2.658 1.00 4.30 C ATOM 0 H THR A 79 -13.376 -2.271 -4.999 1.00 20.02 H new ATOM 0 HA THR A 79 -14.918 -0.685 -3.263 1.00 2.21 H new ATOM 0 HB THR A 79 -14.574 -3.075 -2.952 1.00 51.10 H new ATOM 0 HG1 THR A 79 -14.072 -2.993 -0.655 1.00 52.33 H new ATOM 0 HG21 THR A 79 -12.441 -3.968 -2.074 1.00 4.30 H new ATOM 0 HG22 THR A 79 -12.255 -3.278 -3.704 1.00 4.30 H new ATOM 0 HG23 THR A 79 -11.696 -2.365 -2.282 1.00 4.30 H new ATOM 1285 N LEU A 80 -11.778 0.119 -3.448 1.00 41.05 N ATOM 1286 CA LEU A 80 -10.791 1.119 -3.044 1.00 1.21 C ATOM 1287 C LEU A 80 -11.261 2.515 -3.443 1.00 24.50 C ATOM 1288 O LEU A 80 -11.118 3.466 -2.676 1.00 53.42 O ATOM 1289 CB LEU A 80 -9.422 0.825 -3.670 1.00 20.23 C ATOM 1290 CG LEU A 80 -8.337 1.886 -3.421 1.00 43.04 C ATOM 1291 CD1 LEU A 80 -8.072 2.059 -1.926 1.00 61.41 C ATOM 1292 CD2 LEU A 80 -7.051 1.521 -4.163 1.00 13.14 C ATOM 0 H LEU A 80 -11.509 -0.433 -4.262 1.00 41.05 H new ATOM 0 HA LEU A 80 -10.687 1.074 -1.960 1.00 1.21 H new ATOM 0 HB2 LEU A 80 -9.065 -0.131 -3.287 1.00 20.23 H new ATOM 0 HB3 LEU A 80 -9.552 0.709 -4.746 1.00 20.23 H new ATOM 0 HG LEU A 80 -8.698 2.839 -3.808 1.00 43.04 H new ATOM 0 HD11 LEU A 80 -7.301 2.815 -1.778 1.00 61.41 H new ATOM 0 HD12 LEU A 80 -8.989 2.374 -1.428 1.00 61.41 H new ATOM 0 HD13 LEU A 80 -7.737 1.112 -1.504 1.00 61.41 H new ATOM 0 HD21 LEU A 80 -6.294 2.283 -3.976 1.00 13.14 H new ATOM 0 HD22 LEU A 80 -6.689 0.555 -3.810 1.00 13.14 H new ATOM 0 HD23 LEU A 80 -7.252 1.465 -5.233 1.00 13.14 H new ATOM 1304 N ASP A 81 -11.832 2.626 -4.641 1.00 71.01 N ATOM 1305 CA ASP A 81 -12.375 3.899 -5.127 1.00 24.03 C ATOM 1306 C ASP A 81 -13.385 4.444 -4.120 1.00 11.23 C ATOM 1307 O ASP A 81 -13.470 5.652 -3.881 1.00 52.52 O ATOM 1308 CB ASP A 81 -13.040 3.708 -6.502 1.00 52.53 C ATOM 1309 CG ASP A 81 -13.565 5.010 -7.098 1.00 50.32 C ATOM 1310 OD1 ASP A 81 -12.770 5.756 -7.709 1.00 25.42 O ATOM 1311 OD2 ASP A 81 -14.779 5.287 -6.977 1.00 64.43 O ATOM 0 H ASP A 81 -11.932 1.850 -5.296 1.00 71.01 H new ATOM 0 HA ASP A 81 -11.560 4.614 -5.237 1.00 24.03 H new ATOM 0 HB2 ASP A 81 -12.319 3.265 -7.189 1.00 52.53 H new ATOM 0 HB3 ASP A 81 -13.864 3.001 -6.405 1.00 52.53 H new ATOM 1316 N GLU A 82 -14.134 3.527 -3.517 1.00 23.11 N ATOM 1317 CA GLU A 82 -15.109 3.861 -2.482 1.00 2.25 C ATOM 1318 C GLU A 82 -14.399 4.127 -1.148 1.00 15.34 C ATOM 1319 O GLU A 82 -14.751 5.057 -0.418 1.00 62.01 O ATOM 1320 CB GLU A 82 -16.115 2.711 -2.342 1.00 34.04 C ATOM 1321 CG GLU A 82 -16.756 2.320 -3.672 1.00 3.21 C ATOM 1322 CD GLU A 82 -17.641 1.090 -3.568 1.00 63.44 C ATOM 1323 OE1 GLU A 82 -17.109 -0.037 -3.602 1.00 30.54 O ATOM 1324 OE2 GLU A 82 -18.876 1.247 -3.461 1.00 55.10 O ATOM 0 H GLU A 82 -14.083 2.531 -3.731 1.00 23.11 H new ATOM 0 HA GLU A 82 -15.644 4.768 -2.766 1.00 2.25 H new ATOM 0 HB2 GLU A 82 -15.611 1.843 -1.918 1.00 34.04 H new ATOM 0 HB3 GLU A 82 -16.896 3.001 -1.639 1.00 34.04 H new ATOM 0 HG2 GLU A 82 -17.349 3.156 -4.043 1.00 3.21 H new ATOM 0 HG3 GLU A 82 -15.972 2.135 -4.406 1.00 3.21 H new ATOM 1331 N TYR A 83 -13.388 3.304 -0.864 1.00 61.34 N ATOM 1332 CA TYR A 83 -12.565 3.426 0.346 1.00 53.32 C ATOM 1333 C TYR A 83 -11.983 4.836 0.472 1.00 13.31 C ATOM 1334 O TYR A 83 -11.978 5.429 1.557 1.00 44.41 O ATOM 1335 CB TYR A 83 -11.436 2.379 0.292 1.00 24.23 C ATOM 1336 CG TYR A 83 -10.491 2.369 1.484 1.00 32.43 C ATOM 1337 CD1 TYR A 83 -10.765 1.590 2.604 1.00 12.33 C ATOM 1338 CD2 TYR A 83 -9.314 3.116 1.478 1.00 51.12 C ATOM 1339 CE1 TYR A 83 -9.901 1.559 3.682 1.00 64.44 C ATOM 1340 CE2 TYR A 83 -8.447 3.092 2.558 1.00 51.43 C ATOM 1341 CZ TYR A 83 -8.745 2.312 3.657 1.00 11.51 C ATOM 1342 OH TYR A 83 -7.881 2.273 4.733 1.00 44.12 O ATOM 0 H TYR A 83 -13.114 2.529 -1.468 1.00 61.34 H new ATOM 0 HA TYR A 83 -13.188 3.247 1.222 1.00 53.32 H new ATOM 0 HB2 TYR A 83 -11.886 1.390 0.199 1.00 24.23 H new ATOM 0 HB3 TYR A 83 -10.850 2.549 -0.612 1.00 24.23 H new ATOM 0 HD1 TYR A 83 -11.669 0.999 2.631 1.00 12.33 H new ATOM 0 HD2 TYR A 83 -9.074 3.723 0.618 1.00 51.12 H new ATOM 0 HE1 TYR A 83 -10.130 0.947 4.542 1.00 64.44 H new ATOM 0 HE2 TYR A 83 -7.542 3.681 2.540 1.00 51.43 H new ATOM 0 HH TYR A 83 -7.211 2.982 4.640 1.00 44.12 H new ATOM 1352 N ILE A 84 -11.508 5.372 -0.650 1.00 45.10 N ATOM 1353 CA ILE A 84 -10.896 6.700 -0.679 1.00 64.35 C ATOM 1354 C ILE A 84 -11.873 7.759 -0.171 1.00 41.45 C ATOM 1355 O ILE A 84 -11.495 8.636 0.610 1.00 65.14 O ATOM 1356 CB ILE A 84 -10.413 7.076 -2.106 1.00 4.12 C ATOM 1357 CG1 ILE A 84 -9.366 6.066 -2.608 1.00 45.55 C ATOM 1358 CG2 ILE A 84 -9.845 8.497 -2.136 1.00 64.20 C ATOM 1359 CD1 ILE A 84 -8.135 5.958 -1.728 1.00 23.12 C ATOM 0 H ILE A 84 -11.535 4.905 -1.556 1.00 45.10 H new ATOM 0 HA ILE A 84 -10.028 6.668 -0.020 1.00 64.35 H new ATOM 0 HB ILE A 84 -11.274 7.041 -2.773 1.00 4.12 H new ATOM 0 HG12 ILE A 84 -9.832 5.084 -2.684 1.00 45.55 H new ATOM 0 HG13 ILE A 84 -9.056 6.350 -3.614 1.00 45.55 H new ATOM 0 HG21 ILE A 84 -9.514 8.735 -3.147 1.00 64.20 H new ATOM 0 HG22 ILE A 84 -10.617 9.204 -1.831 1.00 64.20 H new ATOM 0 HG23 ILE A 84 -8.999 8.565 -1.452 1.00 64.20 H new ATOM 0 HD11 ILE A 84 -7.448 5.226 -2.152 1.00 23.12 H new ATOM 0 HD12 ILE A 84 -7.642 6.928 -1.672 1.00 23.12 H new ATOM 0 HD13 ILE A 84 -8.430 5.642 -0.727 1.00 23.12 H new ATOM 1371 N TYR A 85 -13.129 7.656 -0.601 1.00 32.40 N ATOM 1372 CA TYR A 85 -14.167 8.604 -0.200 1.00 11.24 C ATOM 1373 C TYR A 85 -14.395 8.556 1.310 1.00 32.23 C ATOM 1374 O TYR A 85 -14.561 9.591 1.954 1.00 64.42 O ATOM 1375 CB TYR A 85 -15.483 8.311 -0.940 1.00 60.12 C ATOM 1376 CG TYR A 85 -16.653 9.164 -0.470 1.00 0.01 C ATOM 1377 CD1 TYR A 85 -16.829 10.464 -0.936 1.00 62.33 C ATOM 1378 CD2 TYR A 85 -17.576 8.671 0.452 1.00 62.44 C ATOM 1379 CE1 TYR A 85 -17.885 11.243 -0.500 1.00 4.23 C ATOM 1380 CE2 TYR A 85 -18.631 9.446 0.893 1.00 1.13 C ATOM 1381 CZ TYR A 85 -18.781 10.729 0.415 1.00 31.31 C ATOM 1382 OH TYR A 85 -19.831 11.508 0.859 1.00 41.11 O ATOM 0 H TYR A 85 -13.454 6.922 -1.230 1.00 32.40 H new ATOM 0 HA TYR A 85 -13.828 9.605 -0.468 1.00 11.24 H new ATOM 0 HB2 TYR A 85 -15.333 8.473 -2.007 1.00 60.12 H new ATOM 0 HB3 TYR A 85 -15.736 7.259 -0.809 1.00 60.12 H new ATOM 0 HD1 TYR A 85 -16.129 10.871 -1.650 1.00 62.33 H new ATOM 0 HD2 TYR A 85 -17.464 7.665 0.828 1.00 62.44 H new ATOM 0 HE1 TYR A 85 -18.008 12.249 -0.874 1.00 4.23 H new ATOM 0 HE2 TYR A 85 -19.335 9.048 1.609 1.00 1.13 H new ATOM 0 HH TYR A 85 -20.369 10.997 1.499 1.00 41.11 H new ATOM 1392 N GLU A 86 -14.402 7.351 1.869 1.00 42.43 N ATOM 1393 CA GLU A 86 -14.677 7.168 3.291 1.00 52.51 C ATOM 1394 C GLU A 86 -13.536 7.716 4.149 1.00 54.11 C ATOM 1395 O GLU A 86 -13.769 8.372 5.166 1.00 13.03 O ATOM 1396 CB GLU A 86 -14.897 5.683 3.610 1.00 31.33 C ATOM 1397 CG GLU A 86 -15.997 5.031 2.779 1.00 31.31 C ATOM 1398 CD GLU A 86 -16.343 3.632 3.264 1.00 34.42 C ATOM 1399 OE1 GLU A 86 -15.650 2.668 2.878 1.00 2.13 O ATOM 1400 OE2 GLU A 86 -17.314 3.492 4.041 1.00 31.15 O ATOM 0 H GLU A 86 -14.221 6.486 1.360 1.00 42.43 H new ATOM 0 HA GLU A 86 -15.585 7.723 3.526 1.00 52.51 H new ATOM 0 HB2 GLU A 86 -13.964 5.144 3.447 1.00 31.33 H new ATOM 0 HB3 GLU A 86 -15.144 5.581 4.667 1.00 31.33 H new ATOM 0 HG2 GLU A 86 -16.890 5.655 2.812 1.00 31.31 H new ATOM 0 HG3 GLU A 86 -15.680 4.983 1.737 1.00 31.31 H new ATOM 1407 N TYR A 87 -12.304 7.444 3.727 1.00 33.31 N ATOM 1408 CA TYR A 87 -11.123 7.790 4.519 1.00 22.02 C ATOM 1409 C TYR A 87 -10.493 9.107 4.074 1.00 64.42 C ATOM 1410 O TYR A 87 -10.544 10.105 4.795 1.00 65.54 O ATOM 1411 CB TYR A 87 -10.093 6.656 4.440 1.00 1.14 C ATOM 1412 CG TYR A 87 -10.536 5.385 5.140 1.00 61.55 C ATOM 1413 CD1 TYR A 87 -11.592 4.621 4.647 1.00 53.42 C ATOM 1414 CD2 TYR A 87 -9.905 4.954 6.301 1.00 22.13 C ATOM 1415 CE1 TYR A 87 -12.002 3.471 5.292 1.00 43.52 C ATOM 1416 CE2 TYR A 87 -10.310 3.804 6.947 1.00 13.32 C ATOM 1417 CZ TYR A 87 -11.356 3.068 6.439 1.00 32.12 C ATOM 1418 OH TYR A 87 -11.753 1.917 7.081 1.00 1.41 O ATOM 0 H TYR A 87 -12.095 6.985 2.840 1.00 33.31 H new ATOM 0 HA TYR A 87 -11.447 7.922 5.551 1.00 22.02 H new ATOM 0 HB2 TYR A 87 -9.890 6.433 3.393 1.00 1.14 H new ATOM 0 HB3 TYR A 87 -9.156 6.996 4.881 1.00 1.14 H new ATOM 0 HD1 TYR A 87 -12.098 4.934 3.746 1.00 53.42 H new ATOM 0 HD2 TYR A 87 -9.084 5.529 6.704 1.00 22.13 H new ATOM 0 HE1 TYR A 87 -12.824 2.891 4.899 1.00 43.52 H new ATOM 0 HE2 TYR A 87 -9.808 3.483 7.848 1.00 13.32 H new ATOM 0 HH TYR A 87 -11.194 1.775 7.873 1.00 1.41 H new ATOM 1428 N CYS A 88 -9.908 9.116 2.880 1.00 31.13 N ATOM 1429 CA CYS A 88 -9.148 10.273 2.413 1.00 62.11 C ATOM 1430 C CYS A 88 -10.085 11.418 2.015 1.00 4.30 C ATOM 1431 O CYS A 88 -9.655 12.568 1.893 1.00 21.43 O ATOM 1432 CB CYS A 88 -8.239 9.872 1.244 1.00 12.22 C ATOM 1433 SG CYS A 88 -6.924 11.082 0.872 1.00 73.11 S ATOM 0 H CYS A 88 -9.945 8.339 2.220 1.00 31.13 H new ATOM 0 HA CYS A 88 -8.520 10.629 3.230 1.00 62.11 H new ATOM 0 HB2 CYS A 88 -7.779 8.910 1.469 1.00 12.22 H new ATOM 0 HB3 CYS A 88 -8.851 9.732 0.353 1.00 12.22 H new ATOM 1438 N ASN A 89 -11.360 11.079 1.808 1.00 40.14 N ATOM 1439 CA ASN A 89 -12.429 12.054 1.550 1.00 65.44 C ATOM 1440 C ASN A 89 -12.051 13.092 0.489 1.00 1.43 C ATOM 1441 O ASN A 89 -12.278 12.881 -0.702 1.00 65.32 O ATOM 1442 CB ASN A 89 -12.861 12.757 2.850 1.00 61.35 C ATOM 1443 CG ASN A 89 -13.767 11.899 3.713 1.00 13.05 C ATOM 1444 OD1 ASN A 89 -14.990 11.944 3.581 1.00 1.24 O ATOM 1445 ND2 ASN A 89 -13.185 11.120 4.609 1.00 34.03 N ATOM 0 H ASN A 89 -11.685 10.112 1.814 1.00 40.14 H new ATOM 0 HA ASN A 89 -13.269 11.484 1.154 1.00 65.44 H new ATOM 0 HB2 ASN A 89 -11.974 13.029 3.422 1.00 61.35 H new ATOM 0 HB3 ASN A 89 -13.377 13.685 2.601 1.00 61.35 H new ATOM 0 HD21 ASN A 89 -13.753 10.531 5.218 1.00 34.03 H new ATOM 0 HD22 ASN A 89 -12.168 11.108 4.691 1.00 34.03 H new ATOM 1452 N PHE A 90 -11.439 14.191 0.926 1.00 11.55 N ATOM 1453 CA PHE A 90 -11.217 15.352 0.067 1.00 0.34 C ATOM 1454 C PHE A 90 -10.027 15.137 -0.865 1.00 53.13 C ATOM 1455 O PHE A 90 -9.807 15.910 -1.797 1.00 15.02 O ATOM 1456 CB PHE A 90 -11.000 16.602 0.931 1.00 64.34 C ATOM 1457 CG PHE A 90 -12.112 16.841 1.924 1.00 33.43 C ATOM 1458 CD1 PHE A 90 -13.331 17.359 1.511 1.00 25.51 C ATOM 1459 CD2 PHE A 90 -11.940 16.543 3.271 1.00 51.15 C ATOM 1460 CE1 PHE A 90 -14.354 17.575 2.417 1.00 40.24 C ATOM 1461 CE2 PHE A 90 -12.959 16.757 4.181 1.00 41.24 C ATOM 1462 CZ PHE A 90 -14.167 17.274 3.754 1.00 0.42 C ATOM 0 H PHE A 90 -11.086 14.302 1.877 1.00 11.55 H new ATOM 0 HA PHE A 90 -12.102 15.491 -0.555 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -10.057 16.505 1.469 1.00 64.34 H new ATOM 0 HB3 PHE A 90 -10.908 17.473 0.282 1.00 64.34 H new ATOM 0 HD1 PHE A 90 -13.483 17.597 0.469 1.00 25.51 H new ATOM 0 HD2 PHE A 90 -10.998 16.139 3.611 1.00 51.15 H new ATOM 0 HE1 PHE A 90 -15.298 17.978 2.081 1.00 40.24 H new ATOM 0 HE2 PHE A 90 -12.811 16.520 5.224 1.00 41.24 H new ATOM 0 HZ PHE A 90 -14.964 17.443 4.463 1.00 0.42 H new ATOM 1472 N GLY A 91 -9.265 14.077 -0.612 1.00 60.04 N ATOM 1473 CA GLY A 91 -8.090 13.792 -1.416 1.00 24.22 C ATOM 1474 C GLY A 91 -6.817 14.180 -0.692 1.00 15.22 C ATOM 1475 O GLY A 91 -6.021 14.974 -1.193 1.00 11.14 O ATOM 0 H GLY A 91 -9.441 13.408 0.138 1.00 60.04 H new ATOM 0 HA2 GLY A 91 -8.063 12.730 -1.659 1.00 24.22 H new ATOM 0 HA3 GLY A 91 -8.153 14.334 -2.360 1.00 24.22 H new ATOM 1479 N CYS A 92 -6.654 13.635 0.506 1.00 41.54 N ATOM 1480 CA CYS A 92 -5.480 13.882 1.334 1.00 42.25 C ATOM 1481 C CYS A 92 -4.202 13.372 0.657 1.00 24.34 C ATOM 1482 O CYS A 92 -3.465 14.146 0.048 1.00 44.40 O ATOM 1483 CB CYS A 92 -5.673 13.223 2.709 1.00 65.32 C ATOM 1484 SG CYS A 92 -6.034 11.422 2.669 1.00 0.42 S ATOM 0 H CYS A 92 -7.335 13.007 0.933 1.00 41.54 H new ATOM 0 HA CYS A 92 -5.367 14.958 1.467 1.00 42.25 H new ATOM 0 HB2 CYS A 92 -4.772 13.384 3.301 1.00 65.32 H new ATOM 0 HB3 CYS A 92 -6.488 13.729 3.226 1.00 65.32 H new ATOM 1489 N ALA A 93 -3.962 12.067 0.746 1.00 34.23 N ATOM 1490 CA ALA A 93 -2.757 11.451 0.198 1.00 52.41 C ATOM 1491 C ALA A 93 -2.783 9.948 0.449 1.00 5.22 C ATOM 1492 O ALA A 93 -3.243 9.496 1.502 1.00 43.14 O ATOM 1493 CB ALA A 93 -1.499 12.066 0.814 1.00 53.13 C ATOM 0 H ALA A 93 -4.595 11.408 1.199 1.00 34.23 H new ATOM 0 HA ALA A 93 -2.734 11.636 -0.876 1.00 52.41 H new ATOM 0 HB1 ALA A 93 -0.616 11.590 0.389 1.00 53.13 H new ATOM 0 HB2 ALA A 93 -1.474 13.134 0.600 1.00 53.13 H new ATOM 0 HB3 ALA A 93 -1.510 11.913 1.893 1.00 53.13 H new ATOM 1499 N TYR A 94 -2.301 9.181 -0.525 1.00 41.43 N ATOM 1500 CA TYR A 94 -2.243 7.729 -0.409 1.00 55.31 C ATOM 1501 C TYR A 94 -1.371 7.141 -1.518 1.00 12.11 C ATOM 1502 O TYR A 94 -1.016 7.836 -2.476 1.00 73.22 O ATOM 1503 CB TYR A 94 -3.658 7.119 -0.459 1.00 71.55 C ATOM 1504 CG TYR A 94 -4.387 7.338 -1.772 1.00 54.23 C ATOM 1505 CD1 TYR A 94 -5.169 8.471 -1.981 1.00 44.24 C ATOM 1506 CD2 TYR A 94 -4.297 6.408 -2.803 1.00 23.44 C ATOM 1507 CE1 TYR A 94 -5.836 8.669 -3.177 1.00 52.31 C ATOM 1508 CE2 TYR A 94 -4.958 6.602 -3.998 1.00 32.31 C ATOM 1509 CZ TYR A 94 -5.726 7.729 -4.182 1.00 34.33 C ATOM 1510 OH TYR A 94 -6.377 7.921 -5.379 1.00 44.00 O ATOM 0 H TYR A 94 -1.943 9.545 -1.408 1.00 41.43 H new ATOM 0 HA TYR A 94 -1.798 7.481 0.554 1.00 55.31 H new ATOM 0 HB2 TYR A 94 -3.586 6.048 -0.271 1.00 71.55 H new ATOM 0 HB3 TYR A 94 -4.253 7.545 0.349 1.00 71.55 H new ATOM 0 HD1 TYR A 94 -5.256 9.208 -1.196 1.00 44.24 H new ATOM 0 HD2 TYR A 94 -3.699 5.519 -2.665 1.00 23.44 H new ATOM 0 HE1 TYR A 94 -6.439 9.553 -3.323 1.00 52.31 H new ATOM 0 HE2 TYR A 94 -4.873 5.871 -4.788 1.00 32.31 H new ATOM 0 HH TYR A 94 -5.876 7.481 -6.098 1.00 44.00 H new ATOM 1520 N PHE A 95 -1.039 5.860 -1.385 1.00 1.24 N ATOM 1521 CA PHE A 95 -0.223 5.157 -2.372 1.00 34.31 C ATOM 1522 C PHE A 95 -0.634 3.688 -2.448 1.00 32.12 C ATOM 1523 O PHE A 95 -1.076 3.110 -1.453 1.00 52.44 O ATOM 1524 CB PHE A 95 1.272 5.278 -2.028 1.00 14.31 C ATOM 1525 CG PHE A 95 1.628 4.815 -0.634 1.00 25.44 C ATOM 1526 CD1 PHE A 95 1.550 5.687 0.442 1.00 30.44 C ATOM 1527 CD2 PHE A 95 2.047 3.511 -0.404 1.00 41.20 C ATOM 1528 CE1 PHE A 95 1.880 5.269 1.717 1.00 41.20 C ATOM 1529 CE2 PHE A 95 2.379 3.089 0.869 1.00 70.04 C ATOM 1530 CZ PHE A 95 2.296 3.969 1.931 1.00 71.23 C ATOM 0 H PHE A 95 -1.326 5.282 -0.595 1.00 1.24 H new ATOM 0 HA PHE A 95 -0.388 5.618 -3.346 1.00 34.31 H new ATOM 0 HB2 PHE A 95 1.847 4.697 -2.749 1.00 14.31 H new ATOM 0 HB3 PHE A 95 1.576 6.319 -2.142 1.00 14.31 H new ATOM 0 HD1 PHE A 95 1.227 6.705 0.281 1.00 30.44 H new ATOM 0 HD2 PHE A 95 2.114 2.819 -1.230 1.00 41.20 H new ATOM 0 HE1 PHE A 95 1.813 5.958 2.546 1.00 41.20 H new ATOM 0 HE2 PHE A 95 2.703 2.072 1.034 1.00 70.04 H new ATOM 0 HZ PHE A 95 2.556 3.641 2.927 1.00 71.23 H new ATOM 1540 N VAL A 96 -0.500 3.094 -3.635 1.00 44.44 N ATOM 1541 CA VAL A 96 -0.873 1.699 -3.857 1.00 44.31 C ATOM 1542 C VAL A 96 0.299 0.918 -4.454 1.00 2.43 C ATOM 1543 O VAL A 96 0.845 1.294 -5.498 1.00 61.22 O ATOM 1544 CB VAL A 96 -2.098 1.579 -4.804 1.00 53.23 C ATOM 1545 CG1 VAL A 96 -2.519 0.118 -4.976 1.00 65.14 C ATOM 1546 CG2 VAL A 96 -3.266 2.425 -4.294 1.00 34.21 C ATOM 0 H VAL A 96 -0.133 3.563 -4.463 1.00 44.44 H new ATOM 0 HA VAL A 96 -1.139 1.279 -2.887 1.00 44.31 H new ATOM 0 HB VAL A 96 -1.804 1.961 -5.782 1.00 53.23 H new ATOM 0 HG11 VAL A 96 -3.379 0.063 -5.644 1.00 65.14 H new ATOM 0 HG12 VAL A 96 -1.692 -0.451 -5.401 1.00 65.14 H new ATOM 0 HG13 VAL A 96 -2.786 -0.300 -4.006 1.00 65.14 H new ATOM 0 HG21 VAL A 96 -4.112 2.325 -4.974 1.00 34.21 H new ATOM 0 HG22 VAL A 96 -3.556 2.083 -3.300 1.00 34.21 H new ATOM 0 HG23 VAL A 96 -2.963 3.471 -4.244 1.00 34.21 H new ATOM 1556 N LEU A 97 0.690 -0.155 -3.773 1.00 44.13 N ATOM 1557 CA LEU A 97 1.741 -1.056 -4.245 1.00 41.11 C ATOM 1558 C LEU A 97 1.140 -2.407 -4.634 1.00 45.14 C ATOM 1559 O LEU A 97 0.285 -2.937 -3.919 1.00 10.22 O ATOM 1560 CB LEU A 97 2.815 -1.261 -3.158 1.00 21.23 C ATOM 1561 CG LEU A 97 3.963 -0.230 -3.125 1.00 24.44 C ATOM 1562 CD1 LEU A 97 3.446 1.194 -2.946 1.00 2.12 C ATOM 1563 CD2 LEU A 97 4.959 -0.581 -2.020 1.00 43.12 C ATOM 0 H LEU A 97 0.287 -0.426 -2.876 1.00 44.13 H new ATOM 0 HA LEU A 97 2.210 -0.603 -5.119 1.00 41.11 H new ATOM 0 HB2 LEU A 97 2.322 -1.255 -2.186 1.00 21.23 H new ATOM 0 HB3 LEU A 97 3.249 -2.252 -3.289 1.00 21.23 H new ATOM 0 HG LEU A 97 4.470 -0.272 -4.089 1.00 24.44 H new ATOM 0 HD11 LEU A 97 4.287 1.887 -2.928 1.00 2.12 H new ATOM 0 HD12 LEU A 97 2.784 1.448 -3.774 1.00 2.12 H new ATOM 0 HD13 LEU A 97 2.897 1.266 -2.007 1.00 2.12 H new ATOM 0 HD21 LEU A 97 5.763 0.154 -2.008 1.00 43.12 H new ATOM 0 HD22 LEU A 97 4.450 -0.577 -1.056 1.00 43.12 H new ATOM 0 HD23 LEU A 97 5.375 -1.571 -2.206 1.00 43.12 H new ATOM 1575 N LYS A 98 1.593 -2.957 -5.758 1.00 73.53 N ATOM 1576 CA LYS A 98 1.151 -4.278 -6.212 1.00 12.23 C ATOM 1577 C LYS A 98 2.277 -5.296 -6.027 1.00 60.52 C ATOM 1578 O LYS A 98 3.444 -4.989 -6.276 1.00 50.31 O ATOM 1579 CB LYS A 98 0.725 -4.234 -7.690 1.00 71.10 C ATOM 1580 CG LYS A 98 0.196 -5.571 -8.220 1.00 63.14 C ATOM 1581 CD LYS A 98 -0.041 -5.531 -9.731 1.00 12.31 C ATOM 1582 CE LYS A 98 -0.559 -6.864 -10.271 1.00 71.33 C ATOM 1583 NZ LYS A 98 -1.947 -7.162 -9.815 1.00 62.53 N ATOM 0 H LYS A 98 2.269 -2.508 -6.375 1.00 73.53 H new ATOM 0 HA LYS A 98 0.291 -4.577 -5.613 1.00 12.23 H new ATOM 0 HB2 LYS A 98 -0.046 -3.474 -7.814 1.00 71.10 H new ATOM 0 HB3 LYS A 98 1.577 -3.925 -8.295 1.00 71.10 H new ATOM 0 HG2 LYS A 98 0.908 -6.362 -7.985 1.00 63.14 H new ATOM 0 HG3 LYS A 98 -0.736 -5.820 -7.713 1.00 63.14 H new ATOM 0 HD2 LYS A 98 -0.758 -4.744 -9.964 1.00 12.31 H new ATOM 0 HD3 LYS A 98 0.890 -5.274 -10.236 1.00 12.31 H new ATOM 0 HE2 LYS A 98 -0.534 -6.846 -11.361 1.00 71.33 H new ATOM 0 HE3 LYS A 98 0.106 -7.666 -9.950 1.00 71.33 H new ATOM 0 HZ1 LYS A 98 -2.501 -7.536 -10.612 1.00 62.53 H new ATOM 0 HZ2 LYS A 98 -1.918 -7.868 -9.052 1.00 62.53 H new ATOM 0 HZ3 LYS A 98 -2.391 -6.290 -9.463 1.00 62.53 H new ATOM 1597 N ARG A 99 1.920 -6.495 -5.579 1.00 24.34 N ATOM 1598 CA ARG A 99 2.886 -7.571 -5.371 1.00 10.25 C ATOM 1599 C ARG A 99 3.289 -8.158 -6.724 1.00 41.33 C ATOM 1600 O ARG A 99 2.439 -8.640 -7.476 1.00 12.23 O ATOM 1601 CB ARG A 99 2.266 -8.645 -4.454 1.00 3.32 C ATOM 1602 CG ARG A 99 3.259 -9.602 -3.783 1.00 34.54 C ATOM 1603 CD ARG A 99 3.805 -10.659 -4.737 1.00 62.42 C ATOM 1604 NE ARG A 99 2.745 -11.478 -5.334 1.00 63.24 N ATOM 1605 CZ ARG A 99 2.964 -12.574 -6.063 1.00 40.14 C ATOM 1606 NH1 ARG A 99 4.199 -13.042 -6.213 1.00 50.51 N ATOM 1607 NH2 ARG A 99 1.945 -13.209 -6.632 1.00 2.10 N ATOM 0 H ARG A 99 0.959 -6.749 -5.351 1.00 24.34 H new ATOM 0 HA ARG A 99 3.783 -7.186 -4.886 1.00 10.25 H new ATOM 0 HB2 ARG A 99 1.691 -8.144 -3.676 1.00 3.32 H new ATOM 0 HB3 ARG A 99 1.562 -9.235 -5.041 1.00 3.32 H new ATOM 0 HG2 ARG A 99 4.089 -9.027 -3.373 1.00 34.54 H new ATOM 0 HG3 ARG A 99 2.769 -10.096 -2.944 1.00 34.54 H new ATOM 0 HD2 ARG A 99 4.372 -10.170 -5.529 1.00 62.42 H new ATOM 0 HD3 ARG A 99 4.500 -11.305 -4.200 1.00 62.42 H new ATOM 0 HE ARG A 99 1.778 -11.191 -5.182 1.00 63.24 H new ATOM 0 HH11 ARG A 99 4.983 -12.563 -5.770 1.00 50.51 H new ATOM 0 HH12 ARG A 99 4.363 -13.880 -6.771 1.00 50.51 H new ATOM 0 HH21 ARG A 99 0.995 -12.859 -6.512 1.00 2.10 H new ATOM 0 HH22 ARG A 99 2.113 -14.047 -7.189 1.00 2.10 H new ATOM 1621 N ILE A 100 4.580 -8.093 -7.035 1.00 51.01 N ATOM 1622 CA ILE A 100 5.097 -8.572 -8.312 1.00 72.22 C ATOM 1623 C ILE A 100 5.058 -10.098 -8.378 1.00 25.14 C ATOM 1624 O ILE A 100 5.188 -10.768 -7.356 1.00 63.33 O ATOM 1625 CB ILE A 100 6.543 -8.062 -8.551 1.00 62.11 C ATOM 1626 CG1 ILE A 100 6.582 -6.528 -8.440 1.00 44.25 C ATOM 1627 CG2 ILE A 100 7.073 -8.518 -9.913 1.00 40.15 C ATOM 1628 CD1 ILE A 100 5.601 -5.822 -9.355 1.00 44.21 C ATOM 0 H ILE A 100 5.292 -7.710 -6.414 1.00 51.01 H new ATOM 0 HA ILE A 100 4.456 -8.175 -9.100 1.00 72.22 H new ATOM 0 HB ILE A 100 7.190 -8.490 -7.785 1.00 62.11 H new ATOM 0 HG12 ILE A 100 6.373 -6.242 -7.409 1.00 44.25 H new ATOM 0 HG13 ILE A 100 7.590 -6.182 -8.668 1.00 44.25 H new ATOM 0 HG21 ILE A 100 8.088 -8.145 -10.052 1.00 40.15 H new ATOM 0 HG22 ILE A 100 7.077 -9.607 -9.956 1.00 40.15 H new ATOM 0 HG23 ILE A 100 6.432 -8.127 -10.703 1.00 40.15 H new ATOM 0 HD11 ILE A 100 5.688 -4.744 -9.219 1.00 44.21 H new ATOM 0 HD12 ILE A 100 5.823 -6.076 -10.392 1.00 44.21 H new ATOM 0 HD13 ILE A 100 4.586 -6.137 -9.113 1.00 44.21 H new ATOM 1640 N ARG A 101 4.895 -10.622 -9.597 1.00 5.14 N ATOM 1641 CA ARG A 101 4.697 -12.057 -9.850 1.00 42.55 C ATOM 1642 C ARG A 101 5.614 -12.921 -8.975 1.00 73.22 C ATOM 1643 O ARG A 101 5.195 -13.955 -8.450 1.00 55.32 O ATOM 1644 CB ARG A 101 4.933 -12.351 -11.342 1.00 31.43 C ATOM 1645 CG ARG A 101 4.108 -11.455 -12.267 1.00 25.32 C ATOM 1646 CD ARG A 101 4.389 -11.710 -13.748 1.00 63.55 C ATOM 1647 NE ARG A 101 3.734 -10.710 -14.599 1.00 25.32 N ATOM 1648 CZ ARG A 101 3.441 -10.881 -15.889 1.00 44.33 C ATOM 1649 NH1 ARG A 101 3.739 -12.025 -16.499 1.00 32.43 N ATOM 1650 NH2 ARG A 101 2.848 -9.903 -16.564 1.00 51.00 N ATOM 0 H ARG A 101 4.896 -10.057 -10.447 1.00 5.14 H new ATOM 0 HA ARG A 101 3.671 -12.314 -9.587 1.00 42.55 H new ATOM 0 HB2 ARG A 101 5.991 -12.221 -11.569 1.00 31.43 H new ATOM 0 HB3 ARG A 101 4.689 -13.394 -11.544 1.00 31.43 H new ATOM 0 HG2 ARG A 101 3.048 -11.616 -12.070 1.00 25.32 H new ATOM 0 HG3 ARG A 101 4.320 -10.411 -12.037 1.00 25.32 H new ATOM 0 HD2 ARG A 101 5.465 -11.691 -13.924 1.00 63.55 H new ATOM 0 HD3 ARG A 101 4.039 -12.706 -14.020 1.00 63.55 H new ATOM 0 HE ARG A 101 3.484 -9.818 -14.172 1.00 25.32 H new ATOM 0 HH11 ARG A 101 4.194 -12.776 -15.980 1.00 32.43 H new ATOM 0 HH12 ARG A 101 3.513 -12.151 -17.486 1.00 32.43 H new ATOM 0 HH21 ARG A 101 2.619 -9.026 -16.096 1.00 51.00 H new ATOM 0 HH22 ARG A 101 2.622 -10.029 -17.551 1.00 51.00 H new ATOM 1664 N LYS A 102 6.855 -12.477 -8.820 1.00 63.53 N ATOM 1665 CA LYS A 102 7.808 -13.091 -7.900 1.00 72.54 C ATOM 1666 C LYS A 102 9.088 -12.264 -7.867 1.00 41.12 C ATOM 1667 O LYS A 102 9.176 -11.234 -8.535 1.00 54.12 O ATOM 1668 CB LYS A 102 8.116 -14.552 -8.285 1.00 64.43 C ATOM 1669 CG LYS A 102 8.618 -14.742 -9.715 1.00 44.13 C ATOM 1670 CD LYS A 102 9.107 -16.172 -9.949 1.00 72.42 C ATOM 1671 CE LYS A 102 8.030 -17.211 -9.641 1.00 20.53 C ATOM 1672 NZ LYS A 102 6.904 -17.164 -10.607 1.00 11.13 N ATOM 0 H LYS A 102 7.232 -11.678 -9.330 1.00 63.53 H new ATOM 0 HA LYS A 102 7.360 -13.109 -6.906 1.00 72.54 H new ATOM 0 HB2 LYS A 102 8.864 -14.945 -7.596 1.00 64.43 H new ATOM 0 HB3 LYS A 102 7.213 -15.148 -8.149 1.00 64.43 H new ATOM 0 HG2 LYS A 102 7.817 -14.510 -10.417 1.00 44.13 H new ATOM 0 HG3 LYS A 102 9.429 -14.041 -9.914 1.00 44.13 H new ATOM 0 HD2 LYS A 102 9.426 -16.279 -10.986 1.00 72.42 H new ATOM 0 HD3 LYS A 102 9.981 -16.362 -9.325 1.00 72.42 H new ATOM 0 HE2 LYS A 102 8.475 -18.206 -9.654 1.00 20.53 H new ATOM 0 HE3 LYS A 102 7.648 -17.046 -8.634 1.00 20.53 H new ATOM 0 HZ1 LYS A 102 6.200 -17.887 -10.355 1.00 11.13 H new ATOM 0 HZ2 LYS A 102 6.460 -16.224 -10.577 1.00 11.13 H new ATOM 0 HZ3 LYS A 102 7.262 -17.348 -11.566 1.00 11.13 H new ATOM 1686 N LEU A 103 10.075 -12.714 -7.095 1.00 45.52 N ATOM 1687 CA LEU A 103 11.344 -11.996 -6.962 1.00 74.43 C ATOM 1688 C LEU A 103 12.239 -12.251 -8.179 1.00 42.51 C ATOM 1689 O LEU A 103 13.348 -12.778 -8.052 1.00 42.14 O ATOM 1690 CB LEU A 103 12.063 -12.404 -5.659 1.00 33.31 C ATOM 1691 CG LEU A 103 11.490 -11.810 -4.355 1.00 34.31 C ATOM 1692 CD1 LEU A 103 11.658 -10.295 -4.335 1.00 51.21 C ATOM 1693 CD2 LEU A 103 10.019 -12.188 -4.172 1.00 63.11 C ATOM 0 H LEU A 103 10.021 -13.575 -6.550 1.00 45.52 H new ATOM 0 HA LEU A 103 11.131 -10.928 -6.915 1.00 74.43 H new ATOM 0 HB2 LEU A 103 12.041 -13.491 -5.580 1.00 33.31 H new ATOM 0 HB3 LEU A 103 13.110 -12.112 -5.739 1.00 33.31 H new ATOM 0 HG LEU A 103 12.051 -12.233 -3.522 1.00 34.31 H new ATOM 0 HD11 LEU A 103 11.248 -9.896 -3.407 1.00 51.21 H new ATOM 0 HD12 LEU A 103 12.717 -10.045 -4.400 1.00 51.21 H new ATOM 0 HD13 LEU A 103 11.130 -9.859 -5.183 1.00 51.21 H new ATOM 0 HD21 LEU A 103 9.645 -11.755 -3.245 1.00 63.11 H new ATOM 0 HD22 LEU A 103 9.438 -11.806 -5.011 1.00 63.11 H new ATOM 0 HD23 LEU A 103 9.925 -13.273 -4.129 1.00 63.11 H new