USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 963 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 31 MET CE :methyl -152:sc= -0.282 (180deg=-1.14) USER MOD Set 1.2: A 32 MET CE :methyl 158:sc= -0.149 (180deg=-0.705) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc=-0.00932 X(o=-0.0093,f=-0.16) USER MOD Single : A 24 THR OG1 : rot 54:sc= 1.16 USER MOD Single : A 25 TYR OH : rot 130:sc= 0.0392 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -129:sc= -3.05 (180deg=-3.87!) USER MOD Single : A 46 CYS SG : rot 180:sc= -0.295 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.322 USER MOD Single : A 50 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -3.41! C(o=-3.4!,f=-6.5!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.962 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -162:sc= -5.64! (180deg=-6.99!) USER MOD Single : A 79 ASN :FLIP amide:sc= 0.0861 F(o=-1,f=0.086) USER MOD Single : A 81 ASN : amide:sc= -6.98! C(o=-7!,f=-11!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -6.02! C(o=-6!,f=-9.3!) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 131 HIS :FLIP no HD1:sc= -0.527 F(o=-1.2,f=-0.53) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 95 N PRO A 7 2.131 3.987 17.879 1.00 0.00 N ATOM 96 CA PRO A 7 2.986 5.173 17.715 1.00 0.00 C ATOM 97 C PRO A 7 3.517 5.346 16.302 1.00 0.00 C ATOM 98 O PRO A 7 4.313 6.245 16.030 1.00 0.00 O ATOM 99 CB PRO A 7 4.146 4.923 18.682 1.00 0.00 C ATOM 100 CG PRO A 7 3.657 3.872 19.619 1.00 0.00 C ATOM 101 CD PRO A 7 2.720 3.020 18.818 1.00 0.00 C ATOM 0 HA PRO A 7 2.425 6.086 17.914 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.037 4.591 18.150 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.415 5.833 19.218 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.485 3.281 20.012 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.148 4.316 20.475 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.245 2.218 18.298 1.00 0.00 H new ATOM 0 HD3 PRO A 7 1.962 2.551 19.445 1.00 0.00 H new ATOM 109 N VAL A 8 3.073 4.485 15.415 1.00 0.00 N ATOM 110 CA VAL A 8 3.496 4.532 14.020 1.00 0.00 C ATOM 111 C VAL A 8 2.580 5.431 13.196 1.00 0.00 C ATOM 112 O VAL A 8 1.361 5.268 13.206 1.00 0.00 O ATOM 113 CB VAL A 8 3.526 3.126 13.389 1.00 0.00 C ATOM 114 CG1 VAL A 8 2.204 2.407 13.612 1.00 0.00 C ATOM 115 CG2 VAL A 8 3.858 3.205 11.907 1.00 0.00 C ATOM 0 H VAL A 8 2.414 3.736 15.630 1.00 0.00 H new ATOM 0 HA VAL A 8 4.505 4.943 14.012 1.00 0.00 H new ATOM 0 HB VAL A 8 4.311 2.550 13.879 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.247 1.417 13.158 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.019 2.308 14.682 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.397 2.980 13.156 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.873 2.201 11.484 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.103 3.803 11.396 1.00 0.00 H new ATOM 0 HG23 VAL A 8 4.836 3.668 11.777 1.00 0.00 H new ATOM 125 N THR A 9 3.178 6.385 12.490 1.00 0.00 N ATOM 126 CA THR A 9 2.418 7.311 11.656 1.00 0.00 C ATOM 127 C THR A 9 3.211 7.711 10.418 1.00 0.00 C ATOM 128 O THR A 9 4.418 7.944 10.489 1.00 0.00 O ATOM 129 CB THR A 9 2.032 8.587 12.426 1.00 0.00 C ATOM 130 OG1 THR A 9 3.209 9.256 12.891 1.00 0.00 O ATOM 131 CG2 THR A 9 1.128 8.263 13.606 1.00 0.00 C ATOM 0 H THR A 9 4.186 6.538 12.478 1.00 0.00 H new ATOM 0 HA THR A 9 1.510 6.786 11.359 1.00 0.00 H new ATOM 0 HB THR A 9 1.488 9.240 11.744 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.953 10.067 13.378 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.872 9.183 14.131 1.00 0.00 H new ATOM 0 HG22 THR A 9 0.217 7.785 13.246 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.647 7.589 14.287 1.00 0.00 H new ATOM 139 N ALA A 10 2.524 7.789 9.283 1.00 0.00 N ATOM 140 CA ALA A 10 3.162 8.168 8.030 1.00 0.00 C ATOM 141 C ALA A 10 3.148 9.680 7.848 1.00 0.00 C ATOM 142 O ALA A 10 2.775 10.421 8.758 1.00 0.00 O ATOM 143 CB ALA A 10 2.471 7.489 6.859 1.00 0.00 C ATOM 0 H ALA A 10 1.526 7.595 9.206 1.00 0.00 H new ATOM 0 HA ALA A 10 4.201 7.839 8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.959 7.782 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.534 6.407 6.977 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.424 7.790 6.830 1.00 0.00 H new ATOM 149 N SER A 11 3.557 10.132 6.668 1.00 0.00 N ATOM 150 CA SER A 11 3.590 11.560 6.368 1.00 0.00 C ATOM 151 C SER A 11 3.611 11.801 4.864 1.00 0.00 C ATOM 152 O SER A 11 4.194 11.026 4.108 1.00 0.00 O ATOM 153 CB SER A 11 4.813 12.210 7.016 1.00 0.00 C ATOM 154 OG SER A 11 4.839 13.606 6.772 1.00 0.00 O ATOM 0 H SER A 11 3.870 9.532 5.904 1.00 0.00 H new ATOM 0 HA SER A 11 2.686 12.011 6.777 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.800 12.026 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.722 11.752 6.625 1.00 0.00 H new ATOM 0 HG SER A 11 5.630 13.998 7.198 1.00 0.00 H new ATOM 160 N LEU A 12 2.973 12.883 4.434 1.00 0.00 N ATOM 161 CA LEU A 12 2.920 13.222 3.018 1.00 0.00 C ATOM 162 C LEU A 12 4.204 13.923 2.583 1.00 0.00 C ATOM 163 O LEU A 12 4.526 15.009 3.066 1.00 0.00 O ATOM 164 CB LEU A 12 1.711 14.113 2.728 1.00 0.00 C ATOM 165 CG LEU A 12 1.366 14.269 1.246 1.00 0.00 C ATOM 166 CD1 LEU A 12 0.984 12.924 0.643 1.00 0.00 C ATOM 167 CD2 LEU A 12 0.241 15.274 1.065 1.00 0.00 C ATOM 0 H LEU A 12 2.486 13.539 5.045 1.00 0.00 H new ATOM 0 HA LEU A 12 2.820 12.297 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.844 13.704 3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.897 15.101 3.149 1.00 0.00 H new ATOM 0 HG LEU A 12 2.247 14.642 0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.742 13.054 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.820 12.231 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.117 12.523 1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.008 15.373 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.644 14.930 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.550 16.242 1.460 1.00 0.00 H new ATOM 179 N VAL A 13 4.932 13.292 1.668 1.00 0.00 N ATOM 180 CA VAL A 13 6.185 13.847 1.170 1.00 0.00 C ATOM 181 C VAL A 13 5.931 14.922 0.118 1.00 0.00 C ATOM 182 O VAL A 13 4.892 14.922 -0.543 1.00 0.00 O ATOM 183 CB VAL A 13 7.082 12.750 0.565 1.00 0.00 C ATOM 184 CG1 VAL A 13 8.464 13.299 0.244 1.00 0.00 C ATOM 185 CG2 VAL A 13 7.181 11.560 1.508 1.00 0.00 C ATOM 0 H VAL A 13 4.675 12.395 1.256 1.00 0.00 H new ATOM 0 HA VAL A 13 6.696 14.294 2.023 1.00 0.00 H new ATOM 0 HB VAL A 13 6.627 12.412 -0.366 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.080 12.507 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.374 14.114 -0.474 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.930 13.669 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.818 10.796 1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.609 11.883 2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.187 11.148 1.680 1.00 0.00 H new ATOM 195 N ALA A 14 6.884 15.840 -0.028 1.00 0.00 N ATOM 196 CA ALA A 14 6.765 16.921 -0.999 1.00 0.00 C ATOM 197 C ALA A 14 6.557 16.374 -2.406 1.00 0.00 C ATOM 198 O ALA A 14 6.739 15.183 -2.653 1.00 0.00 O ATOM 199 CB ALA A 14 7.999 17.811 -0.953 1.00 0.00 C ATOM 0 H ALA A 14 7.747 15.855 0.515 1.00 0.00 H new ATOM 0 HA ALA A 14 5.891 17.517 -0.736 1.00 0.00 H new ATOM 0 HB1 ALA A 14 7.896 18.614 -1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.102 18.239 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.884 17.219 -1.187 1.00 0.00 H new ATOM 205 N GLU A 15 6.176 17.252 -3.327 1.00 0.00 N ATOM 206 CA GLU A 15 5.935 16.856 -4.710 1.00 0.00 C ATOM 207 C GLU A 15 7.245 16.645 -5.462 1.00 0.00 C ATOM 208 O GLU A 15 7.308 15.853 -6.404 1.00 0.00 O ATOM 209 CB GLU A 15 5.092 17.915 -5.422 1.00 0.00 C ATOM 210 CG GLU A 15 5.723 19.297 -5.421 1.00 0.00 C ATOM 211 CD GLU A 15 4.874 20.328 -6.139 1.00 0.00 C ATOM 212 OE1 GLU A 15 4.010 20.947 -5.483 1.00 0.00 O ATOM 213 OE2 GLU A 15 5.073 20.516 -7.359 1.00 0.00 O ATOM 0 H GLU A 15 6.027 18.244 -3.141 1.00 0.00 H new ATOM 0 HA GLU A 15 5.393 15.910 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.925 17.602 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.114 17.971 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.884 19.618 -4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.703 19.245 -5.896 1.00 0.00 H new ATOM 220 N ALA A 16 8.290 17.354 -5.045 1.00 0.00 N ATOM 221 CA ALA A 16 9.592 17.247 -5.692 1.00 0.00 C ATOM 222 C ALA A 16 10.511 16.268 -4.967 1.00 0.00 C ATOM 223 O ALA A 16 11.638 16.032 -5.401 1.00 0.00 O ATOM 224 CB ALA A 16 10.248 18.616 -5.776 1.00 0.00 C ATOM 0 H ALA A 16 8.260 18.008 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 16 9.428 16.860 -6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.220 18.525 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.615 19.288 -6.356 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.380 19.018 -4.772 1.00 0.00 H new ATOM 230 N GLN A 17 10.031 15.699 -3.865 1.00 0.00 N ATOM 231 CA GLN A 17 10.829 14.750 -3.093 1.00 0.00 C ATOM 232 C GLN A 17 10.182 13.369 -3.058 1.00 0.00 C ATOM 233 O GLN A 17 10.844 12.374 -2.769 1.00 0.00 O ATOM 234 CB GLN A 17 11.030 15.266 -1.667 1.00 0.00 C ATOM 235 CG GLN A 17 11.908 16.502 -1.589 1.00 0.00 C ATOM 236 CD GLN A 17 13.328 16.235 -2.046 1.00 0.00 C ATOM 237 OE1 GLN A 17 14.203 15.919 -1.240 1.00 0.00 O ATOM 238 NE2 GLN A 17 13.560 16.351 -3.348 1.00 0.00 N ATOM 0 H GLN A 17 9.100 15.876 -3.488 1.00 0.00 H new ATOM 0 HA GLN A 17 11.797 14.656 -3.585 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.057 15.493 -1.231 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.474 14.476 -1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.474 17.291 -2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.923 16.869 -0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.804 16.615 -3.979 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.495 16.176 -3.717 1.00 0.00 H new ATOM 247 N ARG A 18 8.887 13.314 -3.353 1.00 0.00 N ATOM 248 CA ARG A 18 8.159 12.049 -3.346 1.00 0.00 C ATOM 249 C ARG A 18 8.628 11.131 -4.471 1.00 0.00 C ATOM 250 O ARG A 18 8.530 9.908 -4.364 1.00 0.00 O ATOM 251 CB ARG A 18 6.655 12.303 -3.472 1.00 0.00 C ATOM 252 CG ARG A 18 6.255 12.917 -4.800 1.00 0.00 C ATOM 253 CD ARG A 18 4.864 13.527 -4.737 1.00 0.00 C ATOM 254 NE ARG A 18 3.829 12.524 -4.516 1.00 0.00 N ATOM 255 CZ ARG A 18 2.529 12.794 -4.560 1.00 0.00 C ATOM 256 NH1 ARG A 18 2.112 14.031 -4.798 1.00 0.00 N ATOM 257 NH2 ARG A 18 1.644 11.830 -4.365 1.00 0.00 N ATOM 0 H ARG A 18 8.322 14.127 -3.599 1.00 0.00 H new ATOM 0 HA ARG A 18 8.362 11.553 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.123 11.361 -3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.337 12.963 -2.665 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.977 13.684 -5.079 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.284 12.154 -5.578 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.829 14.264 -3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.660 14.058 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 18 4.118 11.566 -4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.790 14.778 -4.948 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.113 14.235 -4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.959 10.878 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.646 12.039 -4.399 1.00 0.00 H new ATOM 271 N LEU A 19 9.139 11.722 -5.549 1.00 0.00 N ATOM 272 CA LEU A 19 9.617 10.939 -6.685 1.00 0.00 C ATOM 273 C LEU A 19 11.061 10.496 -6.471 1.00 0.00 C ATOM 274 O LEU A 19 11.522 9.530 -7.080 1.00 0.00 O ATOM 275 CB LEU A 19 9.497 11.736 -7.988 1.00 0.00 C ATOM 276 CG LEU A 19 10.587 12.785 -8.229 1.00 0.00 C ATOM 277 CD1 LEU A 19 10.492 13.334 -9.645 1.00 0.00 C ATOM 278 CD2 LEU A 19 10.484 13.913 -7.214 1.00 0.00 C ATOM 0 H LEU A 19 9.232 12.732 -5.659 1.00 0.00 H new ATOM 0 HA LEU A 19 8.990 10.051 -6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.502 11.035 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.529 12.236 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 19 11.557 12.304 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.273 14.078 -9.800 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.618 12.521 -10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.516 13.797 -9.791 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.268 14.646 -7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.509 14.393 -7.301 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.601 13.509 -6.208 1.00 0.00 H new ATOM 290 N ASP A 20 11.769 11.208 -5.601 1.00 0.00 N ATOM 291 CA ASP A 20 13.155 10.885 -5.296 1.00 0.00 C ATOM 292 C ASP A 20 13.218 10.060 -4.024 1.00 0.00 C ATOM 293 O ASP A 20 14.243 9.458 -3.708 1.00 0.00 O ATOM 294 CB ASP A 20 13.983 12.157 -5.129 1.00 0.00 C ATOM 295 CG ASP A 20 15.474 11.887 -5.185 1.00 0.00 C ATOM 296 OD1 ASP A 20 16.043 11.927 -6.296 1.00 0.00 O ATOM 297 OD2 ASP A 20 16.072 11.636 -4.118 1.00 0.00 O ATOM 0 H ASP A 20 11.403 12.014 -5.094 1.00 0.00 H new ATOM 0 HA ASP A 20 13.569 10.311 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.715 12.867 -5.912 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.737 12.625 -4.176 1.00 0.00 H new ATOM 302 N PHE A 21 12.110 10.048 -3.292 1.00 0.00 N ATOM 303 CA PHE A 21 12.028 9.290 -2.057 1.00 0.00 C ATOM 304 C PHE A 21 11.948 7.805 -2.377 1.00 0.00 C ATOM 305 O PHE A 21 12.412 6.967 -1.603 1.00 0.00 O ATOM 306 CB PHE A 21 10.817 9.726 -1.235 1.00 0.00 C ATOM 307 CG PHE A 21 10.998 9.525 0.242 1.00 0.00 C ATOM 308 CD1 PHE A 21 10.771 8.287 0.821 1.00 0.00 C ATOM 309 CD2 PHE A 21 11.399 10.575 1.052 1.00 0.00 C ATOM 310 CE1 PHE A 21 10.940 8.100 2.179 1.00 0.00 C ATOM 311 CE2 PHE A 21 11.570 10.395 2.410 1.00 0.00 C ATOM 312 CZ PHE A 21 11.341 9.156 2.976 1.00 0.00 C ATOM 0 H PHE A 21 11.259 10.555 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 21 12.922 9.481 -1.464 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.615 10.779 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.942 9.167 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.458 7.458 0.203 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.580 11.546 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.759 7.130 2.618 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.883 11.223 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.475 9.013 4.038 1.00 0.00 H new ATOM 322 N LEU A 22 11.345 7.484 -3.522 1.00 0.00 N ATOM 323 CA LEU A 22 11.245 6.097 -3.953 1.00 0.00 C ATOM 324 C LEU A 22 12.647 5.500 -4.025 1.00 0.00 C ATOM 325 O LEU A 22 12.934 4.502 -3.368 1.00 0.00 O ATOM 326 CB LEU A 22 10.545 5.984 -5.316 1.00 0.00 C ATOM 327 CG LEU A 22 9.087 5.519 -5.280 1.00 0.00 C ATOM 328 CD1 LEU A 22 8.944 4.269 -4.423 1.00 0.00 C ATOM 329 CD2 LEU A 22 8.183 6.630 -4.771 1.00 0.00 C ATOM 0 H LEU A 22 10.924 8.160 -4.159 1.00 0.00 H new ATOM 0 HA LEU A 22 10.643 5.545 -3.231 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.584 6.957 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.112 5.292 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 22 8.780 5.271 -6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.901 3.954 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.559 3.471 -4.839 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.270 4.486 -3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.151 6.280 -4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 22 8.488 6.914 -3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.261 7.494 -5.431 1.00 0.00 H new ATOM 341 N PRO A 23 13.549 6.111 -4.824 1.00 0.00 N ATOM 342 CA PRO A 23 14.930 5.643 -4.940 1.00 0.00 C ATOM 343 C PRO A 23 15.701 5.857 -3.642 1.00 0.00 C ATOM 344 O PRO A 23 16.772 5.285 -3.439 1.00 0.00 O ATOM 345 CB PRO A 23 15.519 6.505 -6.061 1.00 0.00 C ATOM 346 CG PRO A 23 14.662 7.725 -6.105 1.00 0.00 C ATOM 347 CD PRO A 23 13.292 7.287 -5.682 1.00 0.00 C ATOM 0 HA PRO A 23 14.986 4.574 -5.148 1.00 0.00 H new ATOM 0 HB2 PRO A 23 16.559 6.761 -5.857 1.00 0.00 H new ATOM 0 HB3 PRO A 23 15.502 5.977 -7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.048 8.496 -5.438 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.642 8.151 -7.108 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.771 8.074 -5.137 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.672 7.029 -6.540 1.00 0.00 H new ATOM 355 N THR A 24 15.143 6.691 -2.769 1.00 0.00 N ATOM 356 CA THR A 24 15.766 6.987 -1.485 1.00 0.00 C ATOM 357 C THR A 24 15.753 5.755 -0.591 1.00 0.00 C ATOM 358 O THR A 24 16.712 5.485 0.132 1.00 0.00 O ATOM 359 CB THR A 24 15.050 8.150 -0.768 1.00 0.00 C ATOM 360 OG1 THR A 24 15.402 9.396 -1.380 1.00 0.00 O ATOM 361 CG2 THR A 24 15.407 8.186 0.708 1.00 0.00 C ATOM 0 H THR A 24 14.259 7.174 -2.929 1.00 0.00 H new ATOM 0 HA THR A 24 16.797 7.283 -1.681 1.00 0.00 H new ATOM 0 HB THR A 24 13.975 7.991 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 24 15.223 9.350 -2.342 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.888 9.016 1.188 1.00 0.00 H new ATOM 0 HG22 THR A 24 15.106 7.250 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 24 16.483 8.319 0.819 1.00 0.00 H new ATOM 369 N TYR A 25 14.656 5.012 -0.653 1.00 0.00 N ATOM 370 CA TYR A 25 14.510 3.800 0.137 1.00 0.00 C ATOM 371 C TYR A 25 14.136 2.628 -0.761 1.00 0.00 C ATOM 372 O TYR A 25 14.930 1.708 -0.957 1.00 0.00 O ATOM 373 CB TYR A 25 13.451 3.991 1.225 1.00 0.00 C ATOM 374 CG TYR A 25 13.423 2.877 2.246 1.00 0.00 C ATOM 375 CD1 TYR A 25 14.328 2.854 3.300 1.00 0.00 C ATOM 376 CD2 TYR A 25 12.494 1.849 2.156 1.00 0.00 C ATOM 377 CE1 TYR A 25 14.307 1.837 4.236 1.00 0.00 C ATOM 378 CE2 TYR A 25 12.467 0.829 3.089 1.00 0.00 C ATOM 379 CZ TYR A 25 13.375 0.827 4.125 1.00 0.00 C ATOM 380 OH TYR A 25 13.351 -0.187 5.055 1.00 0.00 O ATOM 0 H TYR A 25 13.854 5.229 -1.244 1.00 0.00 H new ATOM 0 HA TYR A 25 15.464 3.585 0.618 1.00 0.00 H new ATOM 0 HB2 TYR A 25 13.634 4.936 1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.470 4.067 0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 25 15.060 3.643 3.389 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.781 1.846 1.345 1.00 0.00 H new ATOM 0 HE1 TYR A 25 15.017 1.834 5.050 1.00 0.00 H new ATOM 0 HE2 TYR A 25 11.737 0.037 3.006 1.00 0.00 H new ATOM 0 HH TYR A 25 12.437 -0.304 5.388 1.00 0.00 H new ATOM 390 N PHE A 26 12.915 2.668 -1.292 1.00 0.00 N ATOM 391 CA PHE A 26 12.424 1.620 -2.185 1.00 0.00 C ATOM 392 C PHE A 26 13.508 1.182 -3.159 1.00 0.00 C ATOM 393 O PHE A 26 13.626 0.002 -3.488 1.00 0.00 O ATOM 394 CB PHE A 26 11.199 2.112 -2.959 1.00 0.00 C ATOM 395 CG PHE A 26 9.907 1.493 -2.510 1.00 0.00 C ATOM 396 CD1 PHE A 26 9.441 1.683 -1.219 1.00 0.00 C ATOM 397 CD2 PHE A 26 9.156 0.722 -3.384 1.00 0.00 C ATOM 398 CE1 PHE A 26 8.249 1.116 -0.808 1.00 0.00 C ATOM 399 CE2 PHE A 26 7.964 0.152 -2.977 1.00 0.00 C ATOM 400 CZ PHE A 26 7.511 0.349 -1.687 1.00 0.00 C ATOM 0 H PHE A 26 12.246 3.418 -1.118 1.00 0.00 H new ATOM 0 HA PHE A 26 12.141 0.763 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.127 3.195 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.342 1.902 -4.019 1.00 0.00 H new ATOM 0 HD1 PHE A 26 10.015 2.280 -0.526 1.00 0.00 H new ATOM 0 HD2 PHE A 26 9.506 0.565 -4.394 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.895 1.273 0.200 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.388 -0.447 -3.667 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.581 -0.096 -1.367 1.00 0.00 H new ATOM 410 N GLY A 27 14.300 2.144 -3.611 1.00 0.00 N ATOM 411 CA GLY A 27 15.370 1.845 -4.541 1.00 0.00 C ATOM 412 C GLY A 27 15.128 2.442 -5.911 1.00 0.00 C ATOM 413 O GLY A 27 13.979 2.585 -6.330 1.00 0.00 O ATOM 0 H GLY A 27 14.221 3.127 -3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.311 2.226 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.477 0.764 -4.632 1.00 0.00 H new ATOM 417 N PRO A 28 16.197 2.801 -6.639 1.00 0.00 N ATOM 418 CA PRO A 28 16.075 3.389 -7.974 1.00 0.00 C ATOM 419 C PRO A 28 15.442 2.424 -8.967 1.00 0.00 C ATOM 420 O PRO A 28 15.081 2.812 -10.078 1.00 0.00 O ATOM 421 CB PRO A 28 17.522 3.698 -8.373 1.00 0.00 C ATOM 422 CG PRO A 28 18.357 2.813 -7.512 1.00 0.00 C ATOM 423 CD PRO A 28 17.604 2.663 -6.222 1.00 0.00 C ATOM 0 HA PRO A 28 15.430 4.268 -7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 28 17.692 3.494 -9.430 1.00 0.00 H new ATOM 0 HB3 PRO A 28 17.761 4.749 -8.208 1.00 0.00 H new ATOM 0 HG2 PRO A 28 18.516 1.844 -7.986 1.00 0.00 H new ATOM 0 HG3 PRO A 28 19.341 3.250 -7.341 1.00 0.00 H new ATOM 0 HD2 PRO A 28 17.793 1.697 -5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 28 17.887 3.428 -5.499 1.00 0.00 H new ATOM 431 N ARG A 29 15.315 1.162 -8.566 1.00 0.00 N ATOM 432 CA ARG A 29 14.720 0.153 -9.428 1.00 0.00 C ATOM 433 C ARG A 29 13.279 -0.147 -9.032 1.00 0.00 C ATOM 434 O ARG A 29 12.426 -0.351 -9.896 1.00 0.00 O ATOM 435 CB ARG A 29 15.549 -1.137 -9.412 1.00 0.00 C ATOM 436 CG ARG A 29 16.005 -1.573 -8.027 1.00 0.00 C ATOM 437 CD ARG A 29 14.929 -2.361 -7.294 1.00 0.00 C ATOM 438 NE ARG A 29 14.273 -3.342 -8.157 1.00 0.00 N ATOM 439 CZ ARG A 29 14.747 -4.565 -8.373 1.00 0.00 C ATOM 440 NH1 ARG A 29 15.888 -4.946 -7.812 1.00 0.00 N ATOM 441 NH2 ARG A 29 14.083 -5.410 -9.151 1.00 0.00 N ATOM 0 H ARG A 29 15.615 0.818 -7.654 1.00 0.00 H new ATOM 0 HA ARG A 29 14.715 0.557 -10.440 1.00 0.00 H new ATOM 0 HB2 ARG A 29 14.960 -1.939 -9.857 1.00 0.00 H new ATOM 0 HB3 ARG A 29 16.427 -0.999 -10.044 1.00 0.00 H new ATOM 0 HG2 ARG A 29 16.904 -2.183 -8.117 1.00 0.00 H new ATOM 0 HG3 ARG A 29 16.274 -0.694 -7.441 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.374 -2.872 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.183 -1.672 -6.899 1.00 0.00 H new ATOM 0 HE ARG A 29 13.404 -3.073 -8.619 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.403 -4.300 -7.214 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.250 -5.885 -7.979 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.206 -5.122 -9.585 1.00 0.00 H new ATOM 0 HH22 ARG A 29 14.449 -6.348 -9.315 1.00 0.00 H new ATOM 455 N LEU A 30 13.002 -0.173 -7.731 1.00 0.00 N ATOM 456 CA LEU A 30 11.663 -0.472 -7.244 1.00 0.00 C ATOM 457 C LEU A 30 10.691 0.667 -7.510 1.00 0.00 C ATOM 458 O LEU A 30 9.506 0.430 -7.703 1.00 0.00 O ATOM 459 CB LEU A 30 11.710 -0.770 -5.745 1.00 0.00 C ATOM 460 CG LEU A 30 11.194 -2.151 -5.337 1.00 0.00 C ATOM 461 CD1 LEU A 30 11.924 -3.245 -6.103 1.00 0.00 C ATOM 462 CD2 LEU A 30 11.355 -2.348 -3.839 1.00 0.00 C ATOM 0 H LEU A 30 13.687 0.009 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 30 11.304 -1.347 -7.786 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.740 -0.670 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.126 -0.013 -5.222 1.00 0.00 H new ATOM 0 HG LEU A 30 10.134 -2.213 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.542 -4.219 -5.798 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.762 -3.110 -7.172 1.00 0.00 H new ATOM 0 HD13 LEU A 30 12.991 -3.190 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.984 -3.334 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.409 -2.268 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.787 -1.584 -3.308 1.00 0.00 H new ATOM 474 N MET A 31 11.182 1.900 -7.482 1.00 0.00 N ATOM 475 CA MET A 31 10.335 3.067 -7.733 1.00 0.00 C ATOM 476 C MET A 31 9.248 2.783 -8.770 1.00 0.00 C ATOM 477 O MET A 31 8.139 3.305 -8.672 1.00 0.00 O ATOM 478 CB MET A 31 11.189 4.251 -8.184 1.00 0.00 C ATOM 479 CG MET A 31 12.463 3.838 -8.902 1.00 0.00 C ATOM 480 SD MET A 31 13.184 5.179 -9.868 1.00 0.00 S ATOM 481 CE MET A 31 11.883 5.473 -11.063 1.00 0.00 C ATOM 0 H MET A 31 12.159 2.121 -7.289 1.00 0.00 H new ATOM 0 HA MET A 31 9.836 3.310 -6.795 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.598 4.885 -8.845 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.450 4.853 -7.314 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.192 3.491 -8.169 1.00 0.00 H new ATOM 0 HG3 MET A 31 12.248 2.997 -9.561 1.00 0.00 H new ATOM 0 HE1 MET A 31 12.316 5.869 -11.982 1.00 0.00 H new ATOM 0 HE2 MET A 31 11.368 4.537 -11.278 1.00 0.00 H new ATOM 0 HE3 MET A 31 11.172 6.193 -10.657 1.00 0.00 H new ATOM 491 N MET A 32 9.570 1.959 -9.759 1.00 0.00 N ATOM 492 CA MET A 32 8.612 1.606 -10.798 1.00 0.00 C ATOM 493 C MET A 32 8.160 0.160 -10.630 1.00 0.00 C ATOM 494 O MET A 32 7.003 -0.178 -10.884 1.00 0.00 O ATOM 495 CB MET A 32 9.228 1.807 -12.183 1.00 0.00 C ATOM 496 CG MET A 32 10.345 0.826 -12.499 1.00 0.00 C ATOM 497 SD MET A 32 11.078 1.103 -14.123 1.00 0.00 S ATOM 498 CE MET A 32 11.748 2.751 -13.917 1.00 0.00 C ATOM 0 H MET A 32 10.486 1.523 -9.863 1.00 0.00 H new ATOM 0 HA MET A 32 7.744 2.259 -10.705 1.00 0.00 H new ATOM 0 HB2 MET A 32 8.447 1.710 -12.937 1.00 0.00 H new ATOM 0 HB3 MET A 32 9.616 2.823 -12.255 1.00 0.00 H new ATOM 0 HG2 MET A 32 11.120 0.907 -11.737 1.00 0.00 H new ATOM 0 HG3 MET A 32 9.955 -0.190 -12.450 1.00 0.00 H new ATOM 0 HE1 MET A 32 12.541 2.915 -14.646 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.958 3.487 -14.069 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.153 2.856 -12.910 1.00 0.00 H new ATOM 508 N ARG A 33 9.088 -0.691 -10.199 1.00 0.00 N ATOM 509 CA ARG A 33 8.801 -2.104 -9.988 1.00 0.00 C ATOM 510 C ARG A 33 7.980 -2.313 -8.721 1.00 0.00 C ATOM 511 O ARG A 33 7.579 -3.434 -8.406 1.00 0.00 O ATOM 512 CB ARG A 33 10.105 -2.895 -9.914 1.00 0.00 C ATOM 513 CG ARG A 33 10.964 -2.745 -11.158 1.00 0.00 C ATOM 514 CD ARG A 33 12.217 -3.596 -11.077 1.00 0.00 C ATOM 515 NE ARG A 33 13.084 -3.406 -12.237 1.00 0.00 N ATOM 516 CZ ARG A 33 13.780 -4.386 -12.807 1.00 0.00 C ATOM 517 NH1 ARG A 33 13.703 -5.622 -12.333 1.00 0.00 N ATOM 518 NH2 ARG A 33 14.553 -4.128 -13.854 1.00 0.00 N ATOM 0 H ARG A 33 10.049 -0.423 -9.989 1.00 0.00 H new ATOM 0 HA ARG A 33 8.213 -2.465 -10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.674 -2.565 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.875 -3.950 -9.763 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.386 -3.030 -12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.242 -1.699 -11.285 1.00 0.00 H new ATOM 0 HD2 ARG A 33 12.766 -3.347 -10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.937 -4.647 -11.002 1.00 0.00 H new ATOM 0 HE ARG A 33 13.160 -2.469 -12.632 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.109 -5.824 -11.529 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.238 -6.371 -12.773 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.613 -3.178 -14.222 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.087 -4.879 -14.291 1.00 0.00 H new ATOM 532 N GLY A 34 7.734 -1.225 -7.996 1.00 0.00 N ATOM 533 CA GLY A 34 6.958 -1.303 -6.773 1.00 0.00 C ATOM 534 C GLY A 34 5.701 -0.462 -6.839 1.00 0.00 C ATOM 535 O GLY A 34 4.624 -0.908 -6.441 1.00 0.00 O ATOM 0 H GLY A 34 8.060 -0.289 -8.236 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.689 -2.342 -6.581 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.571 -0.973 -5.934 1.00 0.00 H new ATOM 539 N GLU A 35 5.839 0.759 -7.345 1.00 0.00 N ATOM 540 CA GLU A 35 4.709 1.671 -7.473 1.00 0.00 C ATOM 541 C GLU A 35 3.638 1.074 -8.379 1.00 0.00 C ATOM 542 O GLU A 35 2.447 1.326 -8.200 1.00 0.00 O ATOM 543 CB GLU A 35 5.177 3.016 -8.034 1.00 0.00 C ATOM 544 CG GLU A 35 4.046 4.002 -8.281 1.00 0.00 C ATOM 545 CD GLU A 35 4.529 5.301 -8.898 1.00 0.00 C ATOM 546 OE1 GLU A 35 4.896 6.219 -8.137 1.00 0.00 O ATOM 547 OE2 GLU A 35 4.539 5.397 -10.144 1.00 0.00 O ATOM 0 H GLU A 35 6.726 1.141 -7.674 1.00 0.00 H new ATOM 0 HA GLU A 35 4.280 1.828 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.890 3.461 -7.340 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.708 2.844 -8.970 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.307 3.544 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.544 4.217 -7.338 1.00 0.00 H new ATOM 554 N ALA A 36 4.074 0.282 -9.353 1.00 0.00 N ATOM 555 CA ALA A 36 3.156 -0.351 -10.292 1.00 0.00 C ATOM 556 C ALA A 36 2.461 -1.563 -9.674 1.00 0.00 C ATOM 557 O ALA A 36 1.405 -1.986 -10.141 1.00 0.00 O ATOM 558 CB ALA A 36 3.896 -0.756 -11.558 1.00 0.00 C ATOM 0 H ALA A 36 5.057 0.063 -9.512 1.00 0.00 H new ATOM 0 HA ALA A 36 2.386 0.378 -10.544 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.200 -1.228 -12.251 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.330 0.128 -12.025 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.690 -1.459 -11.306 1.00 0.00 H new ATOM 564 N LEU A 37 3.060 -2.123 -8.627 1.00 0.00 N ATOM 565 CA LEU A 37 2.496 -3.291 -7.959 1.00 0.00 C ATOM 566 C LEU A 37 1.406 -2.906 -6.961 1.00 0.00 C ATOM 567 O LEU A 37 0.411 -3.614 -6.819 1.00 0.00 O ATOM 568 CB LEU A 37 3.599 -4.061 -7.237 1.00 0.00 C ATOM 569 CG LEU A 37 3.644 -5.559 -7.531 1.00 0.00 C ATOM 570 CD1 LEU A 37 2.402 -6.244 -6.982 1.00 0.00 C ATOM 571 CD2 LEU A 37 3.781 -5.811 -9.027 1.00 0.00 C ATOM 0 H LEU A 37 3.935 -1.787 -8.224 1.00 0.00 H new ATOM 0 HA LEU A 37 2.043 -3.920 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.561 -3.625 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.475 -3.921 -6.163 1.00 0.00 H new ATOM 0 HG LEU A 37 4.518 -5.981 -7.035 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.449 -7.311 -7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.351 -6.095 -5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.515 -5.817 -7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.811 -6.884 -9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.929 -5.376 -9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.701 -5.354 -9.390 1.00 0.00 H new ATOM 583 N VAL A 38 1.592 -1.782 -6.279 1.00 0.00 N ATOM 584 CA VAL A 38 0.621 -1.336 -5.285 1.00 0.00 C ATOM 585 C VAL A 38 -0.668 -0.871 -5.953 1.00 0.00 C ATOM 586 O VAL A 38 -1.763 -1.102 -5.440 1.00 0.00 O ATOM 587 CB VAL A 38 1.181 -0.207 -4.399 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.552 -0.587 -3.865 1.00 0.00 C ATOM 589 CG2 VAL A 38 1.244 1.106 -5.161 1.00 0.00 C ATOM 0 H VAL A 38 2.398 -1.167 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 38 0.406 -2.194 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 38 0.506 -0.069 -3.555 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.936 0.220 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.472 -1.498 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.233 -0.756 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.643 1.885 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.892 0.992 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.243 1.385 -5.489 1.00 0.00 H new ATOM 599 N TYR A 39 -0.529 -0.216 -7.100 1.00 0.00 N ATOM 600 CA TYR A 39 -1.682 0.272 -7.845 1.00 0.00 C ATOM 601 C TYR A 39 -2.332 -0.866 -8.630 1.00 0.00 C ATOM 602 O TYR A 39 -3.522 -0.821 -8.939 1.00 0.00 O ATOM 603 CB TYR A 39 -1.258 1.406 -8.787 1.00 0.00 C ATOM 604 CG TYR A 39 -1.275 1.040 -10.256 1.00 0.00 C ATOM 605 CD1 TYR A 39 -0.195 0.394 -10.841 1.00 0.00 C ATOM 606 CD2 TYR A 39 -2.372 1.342 -11.055 1.00 0.00 C ATOM 607 CE1 TYR A 39 -0.205 0.059 -12.183 1.00 0.00 C ATOM 608 CE2 TYR A 39 -2.389 1.010 -12.396 1.00 0.00 C ATOM 609 CZ TYR A 39 -1.304 0.369 -12.955 1.00 0.00 C ATOM 610 OH TYR A 39 -1.319 0.037 -14.290 1.00 0.00 O ATOM 0 H TYR A 39 0.371 -0.011 -7.534 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.416 0.661 -7.140 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.919 2.258 -8.630 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.252 1.729 -8.517 1.00 0.00 H new ATOM 0 HD1 TYR A 39 0.667 0.149 -10.239 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.224 1.844 -10.621 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.644 -0.443 -12.624 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -3.249 1.252 -13.004 1.00 0.00 H new ATOM 0 HH TYR A 39 -2.167 0.325 -14.689 1.00 0.00 H new ATOM 620 N ALA A 40 -1.536 -1.886 -8.946 1.00 0.00 N ATOM 621 CA ALA A 40 -2.027 -3.038 -9.692 1.00 0.00 C ATOM 622 C ALA A 40 -3.126 -3.760 -8.924 1.00 0.00 C ATOM 623 O ALA A 40 -4.072 -4.277 -9.517 1.00 0.00 O ATOM 624 CB ALA A 40 -0.884 -3.991 -10.005 1.00 0.00 C ATOM 0 H ALA A 40 -0.548 -1.936 -8.696 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.451 -2.679 -10.630 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.266 -4.846 -10.562 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.133 -3.474 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.433 -4.336 -9.075 1.00 0.00 H new ATOM 630 N TRP A 41 -2.995 -3.794 -7.602 1.00 0.00 N ATOM 631 CA TRP A 41 -3.983 -4.451 -6.754 1.00 0.00 C ATOM 632 C TRP A 41 -5.182 -3.537 -6.519 1.00 0.00 C ATOM 633 O TRP A 41 -6.312 -4.004 -6.368 1.00 0.00 O ATOM 634 CB TRP A 41 -3.360 -4.844 -5.412 1.00 0.00 C ATOM 635 CG TRP A 41 -2.328 -5.927 -5.520 1.00 0.00 C ATOM 636 CD1 TRP A 41 -0.971 -5.775 -5.480 1.00 0.00 C ATOM 637 CD2 TRP A 41 -2.570 -7.329 -5.682 1.00 0.00 C ATOM 638 NE1 TRP A 41 -0.355 -6.997 -5.606 1.00 0.00 N ATOM 639 CE2 TRP A 41 -1.316 -7.966 -5.733 1.00 0.00 C ATOM 640 CE3 TRP A 41 -3.725 -8.109 -5.788 1.00 0.00 C ATOM 641 CZ2 TRP A 41 -1.185 -9.344 -5.884 1.00 0.00 C ATOM 642 CZ3 TRP A 41 -3.594 -9.477 -5.940 1.00 0.00 C ATOM 643 CH2 TRP A 41 -2.332 -10.082 -5.986 1.00 0.00 C ATOM 0 H TRP A 41 -2.215 -3.375 -7.095 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.322 -5.352 -7.265 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.903 -3.963 -4.962 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.150 -5.173 -4.737 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.457 -4.832 -5.366 1.00 0.00 H new ATOM 0 HE1 TRP A 41 0.652 -7.157 -5.605 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -4.703 -7.651 -5.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -0.213 -9.813 -5.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.480 -10.089 -6.025 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -2.263 -11.153 -6.104 1.00 0.00 H new ATOM 654 N MET A 42 -4.927 -2.232 -6.491 1.00 0.00 N ATOM 655 CA MET A 42 -5.977 -1.245 -6.266 1.00 0.00 C ATOM 656 C MET A 42 -6.964 -1.199 -7.433 1.00 0.00 C ATOM 657 O MET A 42 -8.154 -0.954 -7.238 1.00 0.00 O ATOM 658 CB MET A 42 -5.356 0.139 -6.063 1.00 0.00 C ATOM 659 CG MET A 42 -6.329 1.182 -5.533 1.00 0.00 C ATOM 660 SD MET A 42 -6.434 1.201 -3.733 1.00 0.00 S ATOM 661 CE MET A 42 -7.507 -0.200 -3.428 1.00 0.00 C ATOM 0 H MET A 42 -3.998 -1.833 -6.622 1.00 0.00 H new ATOM 0 HA MET A 42 -6.525 -1.539 -5.371 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.519 0.052 -5.370 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.949 0.486 -7.013 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.022 2.168 -5.884 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.319 0.990 -5.947 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.323 0.103 -2.772 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.915 -0.558 -4.373 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.937 -0.998 -2.953 1.00 0.00 H new ATOM 671 N ARG A 43 -6.465 -1.439 -8.643 1.00 0.00 N ATOM 672 CA ARG A 43 -7.306 -1.410 -9.837 1.00 0.00 C ATOM 673 C ARG A 43 -8.076 -2.716 -10.006 1.00 0.00 C ATOM 674 O ARG A 43 -9.099 -2.758 -10.688 1.00 0.00 O ATOM 675 CB ARG A 43 -6.455 -1.132 -11.081 1.00 0.00 C ATOM 676 CG ARG A 43 -5.330 -2.135 -11.299 1.00 0.00 C ATOM 677 CD ARG A 43 -5.805 -3.358 -12.068 1.00 0.00 C ATOM 678 NE ARG A 43 -6.237 -3.020 -13.422 1.00 0.00 N ATOM 679 CZ ARG A 43 -6.727 -3.907 -14.284 1.00 0.00 C ATOM 680 NH1 ARG A 43 -6.852 -5.180 -13.932 1.00 0.00 N ATOM 681 NH2 ARG A 43 -7.093 -3.521 -15.499 1.00 0.00 N ATOM 0 H ARG A 43 -5.485 -1.655 -8.823 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.031 -0.606 -9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.102 -1.131 -11.958 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.027 -0.133 -11.000 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.517 -1.656 -11.844 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.928 -2.446 -10.335 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.000 -4.091 -12.117 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -6.630 -3.826 -11.531 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.158 -2.049 -13.724 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.572 -5.481 -12.998 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.228 -5.858 -14.595 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.999 -2.543 -15.773 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.469 -4.202 -16.159 1.00 0.00 H new ATOM 695 N ARG A 44 -7.579 -3.778 -9.383 1.00 0.00 N ATOM 696 CA ARG A 44 -8.226 -5.082 -9.464 1.00 0.00 C ATOM 697 C ARG A 44 -9.475 -5.123 -8.590 1.00 0.00 C ATOM 698 O ARG A 44 -10.571 -5.415 -9.069 1.00 0.00 O ATOM 699 CB ARG A 44 -7.251 -6.183 -9.041 1.00 0.00 C ATOM 700 CG ARG A 44 -6.116 -6.400 -10.028 1.00 0.00 C ATOM 701 CD ARG A 44 -5.108 -7.410 -9.508 1.00 0.00 C ATOM 702 NE ARG A 44 -3.978 -7.572 -10.419 1.00 0.00 N ATOM 703 CZ ARG A 44 -2.980 -8.427 -10.215 1.00 0.00 C ATOM 704 NH1 ARG A 44 -2.971 -9.195 -9.133 1.00 0.00 N ATOM 705 NH2 ARG A 44 -1.990 -8.513 -11.093 1.00 0.00 N ATOM 0 H ARG A 44 -6.731 -3.762 -8.817 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.525 -5.251 -10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.832 -5.931 -8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.800 -7.117 -8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.521 -6.746 -10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.615 -5.452 -10.221 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.744 -7.090 -8.532 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.599 -8.372 -9.365 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.953 -6.996 -11.260 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.731 -9.130 -8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.204 -9.850 -8.979 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.994 -7.923 -11.925 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.225 -9.169 -10.936 1.00 0.00 H new ATOM 719 N LEU A 45 -9.293 -4.838 -7.304 1.00 0.00 N ATOM 720 CA LEU A 45 -10.394 -4.832 -6.345 1.00 0.00 C ATOM 721 C LEU A 45 -11.612 -4.068 -6.864 1.00 0.00 C ATOM 722 O LEU A 45 -12.721 -4.256 -6.370 1.00 0.00 O ATOM 723 CB LEU A 45 -9.945 -4.217 -5.025 1.00 0.00 C ATOM 724 CG LEU A 45 -8.632 -4.762 -4.458 1.00 0.00 C ATOM 725 CD1 LEU A 45 -8.275 -4.045 -3.165 1.00 0.00 C ATOM 726 CD2 LEU A 45 -8.730 -6.263 -4.227 1.00 0.00 C ATOM 0 H LEU A 45 -8.386 -4.606 -6.899 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.685 -5.872 -6.195 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.843 -3.140 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -10.731 -4.371 -4.286 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.841 -4.579 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.339 -4.444 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.162 -2.979 -3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.068 -4.198 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.787 -6.631 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.533 -6.471 -3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.941 -6.764 -5.172 1.00 0.00 H new ATOM 738 N CYS A 46 -11.408 -3.204 -7.850 1.00 0.00 N ATOM 739 CA CYS A 46 -12.504 -2.430 -8.422 1.00 0.00 C ATOM 740 C CYS A 46 -12.692 -2.761 -9.899 1.00 0.00 C ATOM 741 O CYS A 46 -11.723 -2.969 -10.629 1.00 0.00 O ATOM 742 CB CYS A 46 -12.248 -0.932 -8.256 1.00 0.00 C ATOM 743 SG CYS A 46 -13.532 0.120 -8.973 1.00 0.00 S ATOM 0 H CYS A 46 -10.497 -3.021 -8.270 1.00 0.00 H new ATOM 0 HA CYS A 46 -13.415 -2.696 -7.886 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -12.159 -0.705 -7.194 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -11.291 -0.685 -8.716 1.00 0.00 H new ATOM 0 HG CYS A 46 -13.227 1.369 -8.781 1.00 0.00 H new ATOM 749 N GLU A 47 -13.948 -2.810 -10.332 1.00 0.00 N ATOM 750 CA GLU A 47 -14.269 -3.111 -11.722 1.00 0.00 C ATOM 751 C GLU A 47 -14.195 -1.846 -12.565 1.00 0.00 C ATOM 752 O GLU A 47 -13.901 -1.893 -13.759 1.00 0.00 O ATOM 753 CB GLU A 47 -15.667 -3.723 -11.822 1.00 0.00 C ATOM 754 CG GLU A 47 -16.769 -2.790 -11.346 1.00 0.00 C ATOM 755 CD GLU A 47 -18.147 -3.415 -11.447 1.00 0.00 C ATOM 756 OE1 GLU A 47 -18.790 -3.264 -12.506 1.00 0.00 O ATOM 757 OE2 GLU A 47 -18.583 -4.053 -10.466 1.00 0.00 O ATOM 0 H GLU A 47 -14.761 -2.645 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.541 -3.830 -12.099 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.860 -4.003 -12.858 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.697 -4.640 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.578 -2.506 -10.311 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.745 -1.874 -11.937 1.00 0.00 H new ATOM 764 N ARG A 48 -14.467 -0.714 -11.925 1.00 0.00 N ATOM 765 CA ARG A 48 -14.430 0.578 -12.595 1.00 0.00 C ATOM 766 C ARG A 48 -13.281 1.418 -12.049 1.00 0.00 C ATOM 767 O ARG A 48 -13.477 2.551 -11.605 1.00 0.00 O ATOM 768 CB ARG A 48 -15.762 1.311 -12.407 1.00 0.00 C ATOM 769 CG ARG A 48 -16.158 1.493 -10.950 1.00 0.00 C ATOM 770 CD ARG A 48 -17.506 2.184 -10.820 1.00 0.00 C ATOM 771 NE ARG A 48 -18.594 1.364 -11.346 1.00 0.00 N ATOM 772 CZ ARG A 48 -19.868 1.518 -10.996 1.00 0.00 C ATOM 773 NH1 ARG A 48 -20.212 2.457 -10.125 1.00 0.00 N ATOM 774 NH2 ARG A 48 -20.800 0.731 -11.518 1.00 0.00 N ATOM 0 H ARG A 48 -14.717 -0.667 -10.937 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.270 0.417 -13.661 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.698 2.290 -12.882 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -16.547 0.757 -12.922 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -16.198 0.521 -10.459 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.397 2.079 -10.436 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.697 2.411 -9.771 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.479 3.135 -11.352 1.00 0.00 H new ATOM 0 HE ARG A 48 -18.364 0.633 -12.019 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.499 3.064 -9.721 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.190 2.572 -9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.540 0.007 -12.188 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -21.777 0.850 -11.249 1.00 0.00 H new ATOM 788 N TYR A 49 -12.078 0.856 -12.094 1.00 0.00 N ATOM 789 CA TYR A 49 -10.894 1.540 -11.598 1.00 0.00 C ATOM 790 C TYR A 49 -9.897 1.791 -12.726 1.00 0.00 C ATOM 791 O TYR A 49 -9.121 0.907 -13.087 1.00 0.00 O ATOM 792 CB TYR A 49 -10.229 0.709 -10.503 1.00 0.00 C ATOM 793 CG TYR A 49 -9.519 1.538 -9.461 1.00 0.00 C ATOM 794 CD1 TYR A 49 -8.453 2.357 -9.804 1.00 0.00 C ATOM 795 CD2 TYR A 49 -9.920 1.502 -8.135 1.00 0.00 C ATOM 796 CE1 TYR A 49 -7.805 3.120 -8.851 1.00 0.00 C ATOM 797 CE2 TYR A 49 -9.280 2.258 -7.176 1.00 0.00 C ATOM 798 CZ TYR A 49 -8.222 3.066 -7.538 1.00 0.00 C ATOM 799 OH TYR A 49 -7.583 3.825 -6.584 1.00 0.00 O ATOM 0 H TYR A 49 -11.899 -0.075 -12.471 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.205 2.501 -11.188 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.986 0.096 -10.013 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.513 0.026 -10.961 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.124 2.399 -10.832 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.748 0.871 -7.848 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.978 3.754 -9.133 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.605 2.218 -6.147 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.000 3.672 -5.711 1.00 0.00 H new ATOM 809 N ASN A 50 -9.928 2.997 -13.282 1.00 0.00 N ATOM 810 CA ASN A 50 -9.021 3.361 -14.366 1.00 0.00 C ATOM 811 C ASN A 50 -7.694 3.870 -13.812 1.00 0.00 C ATOM 812 O ASN A 50 -6.627 3.557 -14.343 1.00 0.00 O ATOM 813 CB ASN A 50 -9.657 4.430 -15.256 1.00 0.00 C ATOM 814 CG ASN A 50 -10.994 3.994 -15.825 1.00 0.00 C ATOM 815 OD1 ASN A 50 -11.147 2.695 -16.056 1.00 0.00 O flip ATOM 816 ND2 ASN A 50 -11.881 4.817 -16.055 1.00 0.00 N flip ATOM 0 H ASN A 50 -10.570 3.738 -13.001 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.830 2.469 -14.963 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.793 5.345 -14.679 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.978 4.667 -16.075 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -11.721 5.806 -15.863 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.775 4.510 -16.438 1.00 0.00 H new ATOM 823 N GLY A 51 -7.769 4.656 -12.742 1.00 0.00 N ATOM 824 CA GLY A 51 -6.570 5.199 -12.130 1.00 0.00 C ATOM 825 C GLY A 51 -6.884 6.105 -10.956 1.00 0.00 C ATOM 826 O GLY A 51 -8.029 6.517 -10.772 1.00 0.00 O ATOM 0 H GLY A 51 -8.641 4.927 -12.287 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.933 4.380 -11.794 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.005 5.757 -12.876 1.00 0.00 H new ATOM 830 N ALA A 52 -5.866 6.417 -10.160 1.00 0.00 N ATOM 831 CA ALA A 52 -6.043 7.279 -8.998 1.00 0.00 C ATOM 832 C ALA A 52 -4.758 8.028 -8.666 1.00 0.00 C ATOM 833 O ALA A 52 -3.661 7.557 -8.965 1.00 0.00 O ATOM 834 CB ALA A 52 -6.498 6.458 -7.803 1.00 0.00 C ATOM 0 H ALA A 52 -4.911 6.086 -10.299 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.809 8.017 -9.237 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.627 7.112 -6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.446 5.972 -8.035 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.748 5.701 -7.575 1.00 0.00 H new ATOM 840 N TYR A 53 -4.899 9.199 -8.052 1.00 0.00 N ATOM 841 CA TYR A 53 -3.750 10.009 -7.683 1.00 0.00 C ATOM 842 C TYR A 53 -3.043 9.461 -6.452 1.00 0.00 C ATOM 843 O TYR A 53 -3.387 9.802 -5.320 1.00 0.00 O ATOM 844 CB TYR A 53 -4.183 11.446 -7.422 1.00 0.00 C ATOM 845 CG TYR A 53 -3.410 12.447 -8.232 1.00 0.00 C ATOM 846 CD1 TYR A 53 -2.086 12.733 -7.932 1.00 0.00 C ATOM 847 CD2 TYR A 53 -4.002 13.098 -9.300 1.00 0.00 C ATOM 848 CE1 TYR A 53 -1.374 13.649 -8.679 1.00 0.00 C ATOM 849 CE2 TYR A 53 -3.300 14.013 -10.052 1.00 0.00 C ATOM 850 CZ TYR A 53 -1.985 14.287 -9.740 1.00 0.00 C ATOM 851 OH TYR A 53 -1.278 15.200 -10.489 1.00 0.00 O ATOM 0 H TYR A 53 -5.800 9.606 -7.801 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.049 9.979 -8.517 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.245 11.547 -7.647 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.059 11.670 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.607 12.233 -7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.031 12.885 -9.548 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.344 13.866 -8.435 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.777 14.514 -10.882 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.853 15.557 -11.198 1.00 0.00 H new ATOM 861 N TRP A 54 -2.065 8.601 -6.684 1.00 0.00 N ATOM 862 CA TRP A 54 -1.295 8.005 -5.608 1.00 0.00 C ATOM 863 C TRP A 54 -0.506 9.059 -4.839 1.00 0.00 C ATOM 864 O TRP A 54 0.063 9.983 -5.419 1.00 0.00 O ATOM 865 CB TRP A 54 -0.347 6.946 -6.170 1.00 0.00 C ATOM 866 CG TRP A 54 -0.971 6.125 -7.256 1.00 0.00 C ATOM 867 CD1 TRP A 54 -2.193 5.518 -7.221 1.00 0.00 C ATOM 868 CD2 TRP A 54 -0.408 5.825 -8.538 1.00 0.00 C ATOM 869 NE1 TRP A 54 -2.430 4.866 -8.405 1.00 0.00 N ATOM 870 CE2 TRP A 54 -1.347 5.036 -9.229 1.00 0.00 C ATOM 871 CE3 TRP A 54 0.795 6.148 -9.170 1.00 0.00 C ATOM 872 CZ2 TRP A 54 -1.118 4.566 -10.521 1.00 0.00 C ATOM 873 CZ3 TRP A 54 1.022 5.681 -10.451 1.00 0.00 C ATOM 874 CH2 TRP A 54 0.069 4.898 -11.114 1.00 0.00 C ATOM 0 H TRP A 54 -1.785 8.299 -7.617 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.992 7.535 -4.914 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.547 7.435 -6.558 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.025 6.288 -5.363 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.874 5.547 -6.383 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.274 4.341 -8.635 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.535 6.752 -8.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.851 3.962 -11.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.949 5.924 -10.949 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.276 4.549 -12.115 1.00 0.00 H new ATOM 885 N HIS A 55 -0.490 8.896 -3.526 1.00 0.00 N ATOM 886 CA HIS A 55 0.227 9.803 -2.633 1.00 0.00 C ATOM 887 C HIS A 55 1.305 9.056 -1.863 1.00 0.00 C ATOM 888 O HIS A 55 1.013 8.106 -1.136 1.00 0.00 O ATOM 889 CB HIS A 55 -0.727 10.466 -1.642 1.00 0.00 C ATOM 890 CG HIS A 55 -1.698 11.411 -2.271 1.00 0.00 C ATOM 891 ND1 HIS A 55 -1.428 12.749 -2.460 1.00 0.00 N ATOM 892 CD2 HIS A 55 -2.948 11.209 -2.745 1.00 0.00 C ATOM 893 CE1 HIS A 55 -2.472 13.331 -3.023 1.00 0.00 C ATOM 894 NE2 HIS A 55 -3.408 12.418 -3.207 1.00 0.00 N ATOM 0 H HIS A 55 -0.971 8.135 -3.047 1.00 0.00 H new ATOM 0 HA HIS A 55 0.689 10.573 -3.251 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.281 9.691 -1.113 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -0.143 11.005 -0.896 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -0.558 13.217 -2.205 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.485 10.272 -2.758 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.547 14.375 -3.288 1.00 0.00 H new ATOM 903 N TYR A 56 2.550 9.486 -2.023 1.00 0.00 N ATOM 904 CA TYR A 56 3.657 8.854 -1.333 1.00 0.00 C ATOM 905 C TYR A 56 3.674 9.241 0.141 1.00 0.00 C ATOM 906 O TYR A 56 3.649 10.423 0.486 1.00 0.00 O ATOM 907 CB TYR A 56 4.984 9.229 -1.992 1.00 0.00 C ATOM 908 CG TYR A 56 6.037 8.164 -1.822 1.00 0.00 C ATOM 909 CD1 TYR A 56 5.681 6.826 -1.836 1.00 0.00 C ATOM 910 CD2 TYR A 56 7.372 8.489 -1.635 1.00 0.00 C ATOM 911 CE1 TYR A 56 6.625 5.832 -1.669 1.00 0.00 C ATOM 912 CE2 TYR A 56 8.325 7.502 -1.465 1.00 0.00 C ATOM 913 CZ TYR A 56 7.947 6.176 -1.483 1.00 0.00 C ATOM 914 OH TYR A 56 8.893 5.191 -1.313 1.00 0.00 O ATOM 0 H TYR A 56 2.814 10.267 -2.623 1.00 0.00 H new ATOM 0 HA TYR A 56 3.523 7.774 -1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.820 9.406 -3.055 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.346 10.164 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.646 6.555 -1.980 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.671 9.527 -1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.330 4.793 -1.684 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.361 7.768 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 56 9.775 5.601 -1.195 1.00 0.00 H new ATOM 924 N TYR A 57 3.715 8.233 1.004 1.00 0.00 N ATOM 925 CA TYR A 57 3.735 8.458 2.445 1.00 0.00 C ATOM 926 C TYR A 57 4.972 7.837 3.083 1.00 0.00 C ATOM 927 O TYR A 57 5.390 6.740 2.716 1.00 0.00 O ATOM 928 CB TYR A 57 2.473 7.888 3.092 1.00 0.00 C ATOM 929 CG TYR A 57 1.260 8.775 2.936 1.00 0.00 C ATOM 930 CD1 TYR A 57 1.071 9.870 3.768 1.00 0.00 C ATOM 931 CD2 TYR A 57 0.306 8.520 1.960 1.00 0.00 C ATOM 932 CE1 TYR A 57 -0.034 10.687 3.632 1.00 0.00 C ATOM 933 CE2 TYR A 57 -0.802 9.332 1.817 1.00 0.00 C ATOM 934 CZ TYR A 57 -0.968 10.414 2.655 1.00 0.00 C ATOM 935 OH TYR A 57 -2.070 11.226 2.518 1.00 0.00 O ATOM 0 H TYR A 57 3.735 7.250 0.731 1.00 0.00 H new ATOM 0 HA TYR A 57 3.767 9.534 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.259 6.913 2.654 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.660 7.726 4.154 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.800 10.087 4.535 1.00 0.00 H new ATOM 0 HD2 TYR A 57 0.432 7.673 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.166 11.535 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.535 9.120 1.052 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.629 10.897 1.783 1.00 0.00 H new ATOM 945 N ALA A 58 5.551 8.552 4.041 1.00 0.00 N ATOM 946 CA ALA A 58 6.739 8.079 4.738 1.00 0.00 C ATOM 947 C ALA A 58 6.424 7.741 6.190 1.00 0.00 C ATOM 948 O ALA A 58 6.087 8.621 6.983 1.00 0.00 O ATOM 949 CB ALA A 58 7.845 9.122 4.664 1.00 0.00 C ATOM 0 H ALA A 58 5.215 9.463 4.353 1.00 0.00 H new ATOM 0 HA ALA A 58 7.081 7.168 4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.727 8.755 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.097 9.312 3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.504 10.047 5.129 1.00 0.00 H new ATOM 955 N LEU A 59 6.536 6.462 6.531 1.00 0.00 N ATOM 956 CA LEU A 59 6.263 6.006 7.888 1.00 0.00 C ATOM 957 C LEU A 59 7.521 6.067 8.750 1.00 0.00 C ATOM 958 O LEU A 59 8.637 5.964 8.243 1.00 0.00 O ATOM 959 CB LEU A 59 5.700 4.585 7.857 1.00 0.00 C ATOM 960 CG LEU A 59 4.202 4.499 7.554 1.00 0.00 C ATOM 961 CD1 LEU A 59 3.844 3.133 6.999 1.00 0.00 C ATOM 962 CD2 LEU A 59 3.391 4.794 8.803 1.00 0.00 C ATOM 0 H LEU A 59 6.814 5.723 5.886 1.00 0.00 H new ATOM 0 HA LEU A 59 5.522 6.670 8.333 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.243 4.010 7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.890 4.112 8.820 1.00 0.00 H new ATOM 0 HG LEU A 59 3.962 5.248 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.775 3.094 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.400 2.957 6.078 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.100 2.365 7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.328 4.729 8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.638 4.068 9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.624 5.798 9.159 1.00 0.00 H new ATOM 974 N SER A 60 7.330 6.236 10.055 1.00 0.00 N ATOM 975 CA SER A 60 8.448 6.326 10.989 1.00 0.00 C ATOM 976 C SER A 60 9.057 4.955 11.260 1.00 0.00 C ATOM 977 O SER A 60 10.222 4.851 11.648 1.00 0.00 O ATOM 978 CB SER A 60 7.989 6.960 12.303 1.00 0.00 C ATOM 979 OG SER A 60 6.967 6.191 12.912 1.00 0.00 O ATOM 0 H SER A 60 6.411 6.313 10.490 1.00 0.00 H new ATOM 0 HA SER A 60 9.214 6.954 10.533 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.836 7.048 12.983 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.625 7.970 12.115 1.00 0.00 H new ATOM 0 HG SER A 60 6.693 6.617 13.751 1.00 0.00 H new ATOM 985 N ASP A 61 8.270 3.905 11.054 1.00 0.00 N ATOM 986 CA ASP A 61 8.740 2.545 11.282 1.00 0.00 C ATOM 987 C ASP A 61 9.479 2.013 10.060 1.00 0.00 C ATOM 988 O ASP A 61 10.038 0.917 10.087 1.00 0.00 O ATOM 989 CB ASP A 61 7.568 1.626 11.627 1.00 0.00 C ATOM 990 CG ASP A 61 6.967 1.943 12.982 1.00 0.00 C ATOM 991 OD1 ASP A 61 6.597 3.115 13.207 1.00 0.00 O ATOM 992 OD2 ASP A 61 6.866 1.021 13.817 1.00 0.00 O ATOM 0 H ASP A 61 7.305 3.970 10.730 1.00 0.00 H new ATOM 0 HA ASP A 61 9.433 2.564 12.123 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.799 1.719 10.860 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.906 0.590 11.616 1.00 0.00 H new ATOM 997 N GLY A 62 9.480 2.800 8.989 1.00 0.00 N ATOM 998 CA GLY A 62 10.152 2.392 7.770 1.00 0.00 C ATOM 999 C GLY A 62 9.251 1.581 6.862 1.00 0.00 C ATOM 1000 O GLY A 62 9.711 0.987 5.887 1.00 0.00 O ATOM 0 H GLY A 62 9.027 3.713 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.501 3.276 7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.034 1.804 8.023 1.00 0.00 H new ATOM 1004 N GLY A 63 7.962 1.557 7.186 1.00 0.00 N ATOM 1005 CA GLY A 63 7.009 0.811 6.387 1.00 0.00 C ATOM 1006 C GLY A 63 6.345 1.669 5.330 1.00 0.00 C ATOM 1007 O GLY A 63 5.173 1.468 5.013 1.00 0.00 O ATOM 0 H GLY A 63 7.561 2.042 7.989 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.518 -0.025 5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.246 0.387 7.039 1.00 0.00 H new ATOM 1011 N PHE A 64 7.103 2.624 4.790 1.00 0.00 N ATOM 1012 CA PHE A 64 6.607 3.535 3.758 1.00 0.00 C ATOM 1013 C PHE A 64 5.544 2.868 2.892 1.00 0.00 C ATOM 1014 O PHE A 64 5.711 1.731 2.452 1.00 0.00 O ATOM 1015 CB PHE A 64 7.766 4.012 2.878 1.00 0.00 C ATOM 1016 CG PHE A 64 8.978 4.433 3.660 1.00 0.00 C ATOM 1017 CD1 PHE A 64 9.099 5.729 4.133 1.00 0.00 C ATOM 1018 CD2 PHE A 64 9.995 3.530 3.925 1.00 0.00 C ATOM 1019 CE1 PHE A 64 10.212 6.117 4.855 1.00 0.00 C ATOM 1020 CE2 PHE A 64 11.109 3.911 4.646 1.00 0.00 C ATOM 1021 CZ PHE A 64 11.219 5.207 5.112 1.00 0.00 C ATOM 0 H PHE A 64 8.074 2.787 5.054 1.00 0.00 H new ATOM 0 HA PHE A 64 6.152 4.390 4.258 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.045 3.211 2.193 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.428 4.850 2.268 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.315 6.445 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.915 2.516 3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.294 7.131 5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.894 3.197 4.846 1.00 0.00 H new ATOM 0 HZ PHE A 64 12.090 5.508 5.676 1.00 0.00 H new ATOM 1031 N TYR A 65 4.451 3.586 2.645 1.00 0.00 N ATOM 1032 CA TYR A 65 3.359 3.048 1.842 1.00 0.00 C ATOM 1033 C TYR A 65 2.807 4.097 0.875 1.00 0.00 C ATOM 1034 O TYR A 65 3.302 5.224 0.813 1.00 0.00 O ATOM 1035 CB TYR A 65 2.241 2.529 2.753 1.00 0.00 C ATOM 1036 CG TYR A 65 1.303 3.604 3.254 1.00 0.00 C ATOM 1037 CD1 TYR A 65 1.632 4.392 4.352 1.00 0.00 C ATOM 1038 CD2 TYR A 65 0.087 3.833 2.624 1.00 0.00 C ATOM 1039 CE1 TYR A 65 0.773 5.375 4.805 1.00 0.00 C ATOM 1040 CE2 TYR A 65 -0.774 4.815 3.071 1.00 0.00 C ATOM 1041 CZ TYR A 65 -0.427 5.583 4.162 1.00 0.00 C ATOM 1042 OH TYR A 65 -1.284 6.562 4.610 1.00 0.00 O ATOM 0 H TYR A 65 4.299 4.535 2.987 1.00 0.00 H new ATOM 0 HA TYR A 65 3.753 2.222 1.250 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.663 1.781 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 65 2.689 2.025 3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.573 4.233 4.858 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -0.190 3.233 1.770 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.042 5.978 5.660 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -1.715 4.981 2.568 1.00 0.00 H new ATOM 0 HH TYR A 65 -2.085 6.579 4.046 1.00 0.00 H new ATOM 1052 N MET A 66 1.777 3.712 0.122 1.00 0.00 N ATOM 1053 CA MET A 66 1.146 4.606 -0.846 1.00 0.00 C ATOM 1054 C MET A 66 -0.376 4.491 -0.777 1.00 0.00 C ATOM 1055 O MET A 66 -0.910 3.426 -0.468 1.00 0.00 O ATOM 1056 CB MET A 66 1.623 4.270 -2.259 1.00 0.00 C ATOM 1057 CG MET A 66 3.096 4.564 -2.496 1.00 0.00 C ATOM 1058 SD MET A 66 3.751 3.708 -3.942 1.00 0.00 S ATOM 1059 CE MET A 66 2.544 4.156 -5.187 1.00 0.00 C ATOM 0 H MET A 66 1.361 2.782 0.165 1.00 0.00 H new ATOM 0 HA MET A 66 1.431 5.629 -0.602 1.00 0.00 H new ATOM 0 HB2 MET A 66 1.437 3.214 -2.454 1.00 0.00 H new ATOM 0 HB3 MET A 66 1.029 4.836 -2.977 1.00 0.00 H new ATOM 0 HG2 MET A 66 3.233 5.638 -2.622 1.00 0.00 H new ATOM 0 HG3 MET A 66 3.667 4.271 -1.615 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.619 3.469 -6.030 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.543 4.099 -4.760 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.735 5.173 -5.529 1.00 0.00 H new ATOM 1069 N ALA A 67 -1.071 5.591 -1.065 1.00 0.00 N ATOM 1070 CA ALA A 67 -2.531 5.596 -1.034 1.00 0.00 C ATOM 1071 C ALA A 67 -3.113 6.498 -2.124 1.00 0.00 C ATOM 1072 O ALA A 67 -2.662 7.629 -2.307 1.00 0.00 O ATOM 1073 CB ALA A 67 -3.026 6.037 0.335 1.00 0.00 C ATOM 0 H ALA A 67 -0.649 6.484 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.872 4.579 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.116 6.037 0.345 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.656 5.349 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.662 7.042 0.547 1.00 0.00 H new ATOM 1079 N PRO A 68 -4.129 6.007 -2.859 1.00 0.00 N ATOM 1080 CA PRO A 68 -4.776 6.775 -3.931 1.00 0.00 C ATOM 1081 C PRO A 68 -5.559 7.968 -3.392 1.00 0.00 C ATOM 1082 O PRO A 68 -5.763 8.092 -2.184 1.00 0.00 O ATOM 1083 CB PRO A 68 -5.720 5.759 -4.579 1.00 0.00 C ATOM 1084 CG PRO A 68 -5.990 4.757 -3.511 1.00 0.00 C ATOM 1085 CD PRO A 68 -4.728 4.669 -2.702 1.00 0.00 C ATOM 0 HA PRO A 68 -4.051 7.200 -4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.641 6.234 -4.918 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -5.262 5.294 -5.452 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.831 5.065 -2.890 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.248 3.789 -3.940 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.936 4.442 -1.656 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.066 3.886 -3.073 1.00 0.00 H new ATOM 1093 N ASP A 69 -5.994 8.848 -4.292 1.00 0.00 N ATOM 1094 CA ASP A 69 -6.743 10.035 -3.894 1.00 0.00 C ATOM 1095 C ASP A 69 -8.180 10.009 -4.415 1.00 0.00 C ATOM 1096 O ASP A 69 -8.455 10.450 -5.530 1.00 0.00 O ATOM 1097 CB ASP A 69 -6.033 11.292 -4.399 1.00 0.00 C ATOM 1098 CG ASP A 69 -6.655 12.564 -3.859 1.00 0.00 C ATOM 1099 OD1 ASP A 69 -6.370 12.917 -2.694 1.00 0.00 O ATOM 1100 OD2 ASP A 69 -7.424 13.211 -4.600 1.00 0.00 O ATOM 0 H ASP A 69 -5.841 8.761 -5.297 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.786 10.045 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.983 11.253 -4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.063 11.310 -5.488 1.00 0.00 H new ATOM 1105 N LEU A 70 -9.089 9.482 -3.598 1.00 0.00 N ATOM 1106 CA LEU A 70 -10.503 9.410 -3.957 1.00 0.00 C ATOM 1107 C LEU A 70 -11.373 9.876 -2.794 1.00 0.00 C ATOM 1108 O LEU A 70 -11.446 9.215 -1.758 1.00 0.00 O ATOM 1109 CB LEU A 70 -10.903 7.985 -4.358 1.00 0.00 C ATOM 1110 CG LEU A 70 -10.299 7.461 -5.667 1.00 0.00 C ATOM 1111 CD1 LEU A 70 -10.438 8.492 -6.779 1.00 0.00 C ATOM 1112 CD2 LEU A 70 -8.842 7.074 -5.471 1.00 0.00 C ATOM 0 H LEU A 70 -8.870 9.097 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.660 10.068 -4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -10.617 7.308 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.989 7.943 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.852 6.569 -5.961 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.003 8.098 -7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.493 8.711 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.918 9.407 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.434 6.705 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.274 7.946 -5.146 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.772 6.293 -4.714 1.00 0.00 H new ATOM 1124 N ALA A 71 -12.030 11.016 -2.971 1.00 0.00 N ATOM 1125 CA ALA A 71 -12.891 11.572 -1.932 1.00 0.00 C ATOM 1126 C ALA A 71 -14.313 11.029 -2.037 1.00 0.00 C ATOM 1127 O ALA A 71 -15.050 11.365 -2.965 1.00 0.00 O ATOM 1128 CB ALA A 71 -12.899 13.091 -2.011 1.00 0.00 C ATOM 0 H ALA A 71 -11.984 11.574 -3.824 1.00 0.00 H new ATOM 0 HA ALA A 71 -12.488 11.268 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -13.545 13.493 -1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.886 13.468 -1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -13.272 13.403 -2.987 1.00 0.00 H new ATOM 1134 N GLY A 72 -14.692 10.185 -1.080 1.00 0.00 N ATOM 1135 CA GLY A 72 -16.028 9.616 -1.079 1.00 0.00 C ATOM 1136 C GLY A 72 -16.035 8.130 -0.771 1.00 0.00 C ATOM 1137 O GLY A 72 -15.095 7.608 -0.170 1.00 0.00 O ATOM 0 H GLY A 72 -14.098 9.886 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.639 10.138 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.490 9.783 -2.052 1.00 0.00 H new ATOM 1141 N ARG A 73 -17.101 7.450 -1.187 1.00 0.00 N ATOM 1142 CA ARG A 73 -17.240 6.020 -0.960 1.00 0.00 C ATOM 1143 C ARG A 73 -17.134 5.261 -2.275 1.00 0.00 C ATOM 1144 O ARG A 73 -17.960 5.429 -3.173 1.00 0.00 O ATOM 1145 CB ARG A 73 -18.578 5.715 -0.283 1.00 0.00 C ATOM 1146 CG ARG A 73 -18.716 6.331 1.101 1.00 0.00 C ATOM 1147 CD ARG A 73 -20.096 6.087 1.688 1.00 0.00 C ATOM 1148 NE ARG A 73 -20.403 4.664 1.799 1.00 0.00 N ATOM 1149 CZ ARG A 73 -21.339 4.172 2.607 1.00 0.00 C ATOM 1150 NH1 ARG A 73 -22.046 4.984 3.382 1.00 0.00 N ATOM 1151 NH2 ARG A 73 -21.566 2.866 2.642 1.00 0.00 N ATOM 0 H ARG A 73 -17.884 7.873 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 73 -16.433 5.696 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -19.387 6.080 -0.916 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -18.697 4.634 -0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -17.959 5.911 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -18.529 7.403 1.043 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -20.157 6.548 2.674 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -20.846 6.571 1.063 1.00 0.00 H new ATOM 0 HE ARG A 73 -19.870 4.010 1.225 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -21.873 5.989 3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -22.763 4.603 4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -21.023 2.238 2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -22.284 2.489 3.262 1.00 0.00 H new ATOM 1165 N LEU A 74 -16.111 4.427 -2.378 1.00 0.00 N ATOM 1166 CA LEU A 74 -15.880 3.638 -3.583 1.00 0.00 C ATOM 1167 C LEU A 74 -16.038 2.149 -3.303 1.00 0.00 C ATOM 1168 O LEU A 74 -15.384 1.602 -2.415 1.00 0.00 O ATOM 1169 CB LEU A 74 -14.481 3.913 -4.137 1.00 0.00 C ATOM 1170 CG LEU A 74 -14.118 5.393 -4.273 1.00 0.00 C ATOM 1171 CD1 LEU A 74 -13.480 5.907 -2.990 1.00 0.00 C ATOM 1172 CD2 LEU A 74 -13.183 5.603 -5.455 1.00 0.00 C ATOM 0 H LEU A 74 -15.424 4.277 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 74 -16.625 3.931 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.749 3.433 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -14.396 3.442 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 74 -15.033 5.958 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -13.229 6.961 -3.106 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -14.180 5.790 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -12.574 5.339 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -12.934 6.661 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -12.270 5.026 -5.304 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -13.674 5.272 -6.370 1.00 0.00 H new ATOM 1184 N GLU A 75 -16.910 1.496 -4.066 1.00 0.00 N ATOM 1185 CA GLU A 75 -17.146 0.066 -3.902 1.00 0.00 C ATOM 1186 C GLU A 75 -15.925 -0.735 -4.341 1.00 0.00 C ATOM 1187 O GLU A 75 -15.642 -0.858 -5.533 1.00 0.00 O ATOM 1188 CB GLU A 75 -18.377 -0.369 -4.699 1.00 0.00 C ATOM 1189 CG GLU A 75 -18.368 0.100 -6.145 1.00 0.00 C ATOM 1190 CD GLU A 75 -19.526 -0.459 -6.947 1.00 0.00 C ATOM 1191 OE1 GLU A 75 -20.625 0.134 -6.896 1.00 0.00 O ATOM 1192 OE2 GLU A 75 -19.335 -1.489 -7.629 1.00 0.00 O ATOM 0 H GLU A 75 -17.464 1.934 -4.802 1.00 0.00 H new ATOM 0 HA GLU A 75 -17.327 -0.130 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -18.445 -1.457 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -19.271 0.015 -4.208 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -18.406 1.189 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.430 -0.197 -6.613 1.00 0.00 H new ATOM 1199 N ILE A 76 -15.200 -1.272 -3.367 1.00 0.00 N ATOM 1200 CA ILE A 76 -14.005 -2.056 -3.644 1.00 0.00 C ATOM 1201 C ILE A 76 -14.173 -3.504 -3.188 1.00 0.00 C ATOM 1202 O ILE A 76 -14.251 -3.788 -1.992 1.00 0.00 O ATOM 1203 CB ILE A 76 -12.763 -1.431 -2.963 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -12.121 -0.388 -3.887 1.00 0.00 C ATOM 1205 CG2 ILE A 76 -11.750 -2.499 -2.572 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -11.276 -0.986 -4.992 1.00 0.00 C ATOM 0 H ILE A 76 -15.421 -1.178 -2.376 1.00 0.00 H new ATOM 0 HA ILE A 76 -13.855 -2.049 -4.724 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.091 -0.936 -2.049 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -12.907 0.221 -4.333 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -11.501 0.280 -3.289 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.890 -2.028 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -12.211 -3.200 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.423 -3.035 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -10.856 -0.186 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -10.467 -1.572 -4.555 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.895 -1.631 -5.615 1.00 0.00 H new ATOM 1218 N GLU A 77 -14.243 -4.415 -4.153 1.00 0.00 N ATOM 1219 CA GLU A 77 -14.381 -5.834 -3.853 1.00 0.00 C ATOM 1220 C GLU A 77 -13.002 -6.467 -3.730 1.00 0.00 C ATOM 1221 O GLU A 77 -12.187 -6.383 -4.646 1.00 0.00 O ATOM 1222 CB GLU A 77 -15.212 -6.546 -4.926 1.00 0.00 C ATOM 1223 CG GLU A 77 -14.663 -6.398 -6.335 1.00 0.00 C ATOM 1224 CD GLU A 77 -15.539 -7.069 -7.375 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -16.457 -6.402 -7.897 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -15.307 -8.261 -7.666 1.00 0.00 O ATOM 0 H GLU A 77 -14.206 -4.195 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.908 -5.942 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.271 -7.606 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.229 -6.155 -4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.567 -5.339 -6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.662 -6.826 -6.378 1.00 0.00 H new ATOM 1233 N VAL A 78 -12.746 -7.102 -2.595 1.00 0.00 N ATOM 1234 CA VAL A 78 -11.460 -7.711 -2.339 1.00 0.00 C ATOM 1235 C VAL A 78 -11.519 -9.223 -2.501 1.00 0.00 C ATOM 1236 O VAL A 78 -12.018 -9.924 -1.624 1.00 0.00 O ATOM 1237 CB VAL A 78 -10.997 -7.370 -0.916 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -9.532 -7.675 -0.752 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -11.276 -5.907 -0.599 1.00 0.00 C ATOM 0 H VAL A 78 -13.420 -7.206 -1.836 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.752 -7.315 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.559 -7.987 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.220 -7.427 0.263 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.358 -8.735 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.955 -7.084 -1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.941 -5.684 0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.741 -5.273 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.346 -5.715 -0.678 1.00 0.00 H new ATOM 1249 N ASN A 79 -11.012 -9.729 -3.626 1.00 0.00 N ATOM 1250 CA ASN A 79 -11.022 -11.166 -3.883 1.00 0.00 C ATOM 1251 C ASN A 79 -9.950 -11.880 -3.066 1.00 0.00 C ATOM 1252 O ASN A 79 -10.157 -13.004 -2.607 1.00 0.00 O ATOM 1253 CB ASN A 79 -10.798 -11.434 -5.372 1.00 0.00 C ATOM 1254 CG ASN A 79 -11.542 -10.451 -6.250 1.00 0.00 C ATOM 1255 OD1 ASN A 79 -10.917 -9.310 -6.516 1.00 0.00 O flip ATOM 1256 ND2 ASN A 79 -12.667 -10.709 -6.680 1.00 0.00 N flip ATOM 0 H ASN A 79 -10.593 -9.168 -4.368 1.00 0.00 H new ATOM 0 HA ASN A 79 -11.996 -11.554 -3.585 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -9.732 -11.380 -5.592 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -11.122 -12.447 -5.609 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -13.109 -11.599 -6.450 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -13.156 -10.033 -7.266 1.00 0.00 H new ATOM 1263 N GLY A 80 -8.801 -11.224 -2.904 1.00 0.00 N ATOM 1264 CA GLY A 80 -7.706 -11.799 -2.139 1.00 0.00 C ATOM 1265 C GLY A 80 -8.163 -12.456 -0.848 1.00 0.00 C ATOM 1266 O GLY A 80 -7.489 -13.340 -0.319 1.00 0.00 O ATOM 0 H GLY A 80 -8.609 -10.300 -3.291 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.190 -12.537 -2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.983 -11.017 -1.906 1.00 0.00 H new ATOM 1270 N ASN A 81 -9.312 -12.019 -0.344 1.00 0.00 N ATOM 1271 CA ASN A 81 -9.871 -12.568 0.884 1.00 0.00 C ATOM 1272 C ASN A 81 -11.393 -12.620 0.805 1.00 0.00 C ATOM 1273 O ASN A 81 -12.069 -12.902 1.796 1.00 0.00 O ATOM 1274 CB ASN A 81 -9.425 -11.744 2.090 1.00 0.00 C ATOM 1275 CG ASN A 81 -9.279 -10.273 1.762 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.532 -9.899 0.860 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.987 -9.431 2.500 1.00 0.00 N ATOM 0 H ASN A 81 -9.876 -11.283 -0.770 1.00 0.00 H new ATOM 0 HA ASN A 81 -9.499 -13.585 1.005 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.149 -11.864 2.896 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.473 -12.128 2.457 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.925 -8.427 2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -10.594 -9.786 3.238 1.00 0.00 H new ATOM 1284 N GLY A 82 -11.922 -12.345 -0.383 1.00 0.00 N ATOM 1285 CA GLY A 82 -13.359 -12.376 -0.590 1.00 0.00 C ATOM 1286 C GLY A 82 -14.097 -11.299 0.180 1.00 0.00 C ATOM 1287 O GLY A 82 -15.322 -11.341 0.285 1.00 0.00 O ATOM 0 H GLY A 82 -11.378 -12.100 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.569 -12.262 -1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.741 -13.353 -0.293 1.00 0.00 H new ATOM 1291 N PHE A 83 -13.362 -10.334 0.721 1.00 0.00 N ATOM 1292 CA PHE A 83 -13.975 -9.255 1.482 1.00 0.00 C ATOM 1293 C PHE A 83 -14.527 -8.171 0.570 1.00 0.00 C ATOM 1294 O PHE A 83 -13.798 -7.281 0.135 1.00 0.00 O ATOM 1295 CB PHE A 83 -12.966 -8.644 2.456 1.00 0.00 C ATOM 1296 CG PHE A 83 -13.441 -7.364 3.086 1.00 0.00 C ATOM 1297 CD1 PHE A 83 -14.590 -7.339 3.860 1.00 0.00 C ATOM 1298 CD2 PHE A 83 -12.741 -6.183 2.895 1.00 0.00 C ATOM 1299 CE1 PHE A 83 -15.032 -6.162 4.433 1.00 0.00 C ATOM 1300 CE2 PHE A 83 -13.177 -5.002 3.467 1.00 0.00 C ATOM 1301 CZ PHE A 83 -14.324 -4.993 4.236 1.00 0.00 C ATOM 0 H PHE A 83 -12.346 -10.278 0.647 1.00 0.00 H new ATOM 0 HA PHE A 83 -14.805 -9.684 2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -12.747 -9.367 3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -12.031 -8.455 1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -15.147 -8.251 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.845 -6.185 2.292 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -15.929 -6.156 5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.622 -4.089 3.313 1.00 0.00 H new ATOM 0 HZ PHE A 83 -14.667 -4.072 4.683 1.00 0.00 H new ATOM 1311 N ARG A 84 -15.817 -8.252 0.275 1.00 0.00 N ATOM 1312 CA ARG A 84 -16.458 -7.251 -0.561 1.00 0.00 C ATOM 1313 C ARG A 84 -16.936 -6.097 0.301 1.00 0.00 C ATOM 1314 O ARG A 84 -17.846 -6.253 1.114 1.00 0.00 O ATOM 1315 CB ARG A 84 -17.628 -7.852 -1.339 1.00 0.00 C ATOM 1316 CG ARG A 84 -17.197 -8.607 -2.582 1.00 0.00 C ATOM 1317 CD ARG A 84 -16.683 -9.996 -2.241 1.00 0.00 C ATOM 1318 NE ARG A 84 -17.701 -10.804 -1.575 1.00 0.00 N ATOM 1319 CZ ARG A 84 -17.670 -12.133 -1.523 1.00 0.00 C ATOM 1320 NH1 ARG A 84 -16.677 -12.800 -2.094 1.00 0.00 N ATOM 1321 NH2 ARG A 84 -18.635 -12.794 -0.897 1.00 0.00 N ATOM 0 H ARG A 84 -16.435 -8.995 0.600 1.00 0.00 H new ATOM 0 HA ARG A 84 -15.729 -6.884 -1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.181 -8.527 -0.686 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.313 -7.054 -1.626 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -18.039 -8.688 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -16.417 -8.046 -3.097 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.360 -10.498 -3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -15.808 -9.911 -1.597 1.00 0.00 H new ATOM 0 HE ARG A 84 -18.479 -10.323 -1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -15.933 -12.294 -2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -16.657 -13.819 -2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -19.400 -12.283 -0.456 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -18.612 -13.813 -0.857 1.00 0.00 H new ATOM 1335 N GLY A 85 -16.319 -4.938 0.120 1.00 0.00 N ATOM 1336 CA GLY A 85 -16.705 -3.784 0.914 1.00 0.00 C ATOM 1337 C GLY A 85 -16.115 -2.479 0.424 1.00 0.00 C ATOM 1338 O GLY A 85 -14.929 -2.404 0.106 1.00 0.00 O ATOM 0 H GLY A 85 -15.569 -4.774 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.792 -3.703 0.915 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.397 -3.946 1.947 1.00 0.00 H new ATOM 1342 N GLU A 86 -16.952 -1.446 0.371 1.00 0.00 N ATOM 1343 CA GLU A 86 -16.513 -0.127 -0.063 1.00 0.00 C ATOM 1344 C GLU A 86 -15.531 0.453 0.947 1.00 0.00 C ATOM 1345 O GLU A 86 -15.606 0.150 2.137 1.00 0.00 O ATOM 1346 CB GLU A 86 -17.712 0.811 -0.233 1.00 0.00 C ATOM 1347 CG GLU A 86 -18.387 1.192 1.077 1.00 0.00 C ATOM 1348 CD GLU A 86 -19.009 0.005 1.786 1.00 0.00 C ATOM 1349 OE1 GLU A 86 -20.174 -0.327 1.479 1.00 0.00 O ATOM 1350 OE2 GLU A 86 -18.333 -0.594 2.648 1.00 0.00 O ATOM 0 H GLU A 86 -17.939 -1.499 0.624 1.00 0.00 H new ATOM 0 HA GLU A 86 -16.014 -0.226 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.382 1.719 -0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -18.445 0.333 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -17.654 1.659 1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.158 1.936 0.880 1.00 0.00 H new ATOM 1357 N LEU A 87 -14.614 1.286 0.473 1.00 0.00 N ATOM 1358 CA LEU A 87 -13.621 1.889 1.354 1.00 0.00 C ATOM 1359 C LEU A 87 -12.959 3.093 0.693 1.00 0.00 C ATOM 1360 O LEU A 87 -12.743 3.110 -0.519 1.00 0.00 O ATOM 1361 CB LEU A 87 -12.566 0.847 1.729 1.00 0.00 C ATOM 1362 CG LEU A 87 -11.722 1.182 2.959 1.00 0.00 C ATOM 1363 CD1 LEU A 87 -12.608 1.386 4.179 1.00 0.00 C ATOM 1364 CD2 LEU A 87 -10.707 0.080 3.218 1.00 0.00 C ATOM 0 H LEU A 87 -14.536 1.558 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 87 -14.125 2.236 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.066 -0.106 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.899 0.708 0.878 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.186 2.112 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.988 1.623 5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.300 2.207 3.993 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.171 0.474 4.376 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.113 0.332 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.228 -0.862 3.390 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.051 -0.021 2.353 1.00 0.00 H new ATOM 1376 N SER A 88 -12.637 4.100 1.500 1.00 0.00 N ATOM 1377 CA SER A 88 -11.998 5.309 0.997 1.00 0.00 C ATOM 1378 C SER A 88 -10.595 5.000 0.487 1.00 0.00 C ATOM 1379 O SER A 88 -10.002 3.990 0.858 1.00 0.00 O ATOM 1380 CB SER A 88 -11.933 6.373 2.095 1.00 0.00 C ATOM 1381 OG SER A 88 -13.228 6.697 2.571 1.00 0.00 O ATOM 0 H SER A 88 -12.809 4.101 2.505 1.00 0.00 H new ATOM 0 HA SER A 88 -12.594 5.692 0.169 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.319 6.011 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.450 7.270 1.708 1.00 0.00 H new ATOM 0 HG SER A 88 -13.158 7.378 3.273 1.00 0.00 H new ATOM 1387 N ALA A 89 -10.071 5.876 -0.363 1.00 0.00 N ATOM 1388 CA ALA A 89 -8.738 5.689 -0.923 1.00 0.00 C ATOM 1389 C ALA A 89 -7.665 5.810 0.154 1.00 0.00 C ATOM 1390 O ALA A 89 -6.504 5.468 -0.073 1.00 0.00 O ATOM 1391 CB ALA A 89 -8.487 6.700 -2.030 1.00 0.00 C ATOM 0 H ALA A 89 -10.548 6.721 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.685 4.683 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.488 6.550 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.227 6.567 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.565 7.709 -1.626 1.00 0.00 H new ATOM 1397 N ASP A 90 -8.060 6.297 1.325 1.00 0.00 N ATOM 1398 CA ASP A 90 -7.132 6.467 2.436 1.00 0.00 C ATOM 1399 C ASP A 90 -7.070 5.205 3.284 1.00 0.00 C ATOM 1400 O ASP A 90 -6.067 4.936 3.944 1.00 0.00 O ATOM 1401 CB ASP A 90 -7.559 7.650 3.302 1.00 0.00 C ATOM 1402 CG ASP A 90 -6.469 8.093 4.258 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -6.418 7.562 5.387 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -5.666 8.971 3.877 1.00 0.00 O ATOM 0 H ASP A 90 -9.018 6.581 1.529 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.141 6.661 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -7.836 8.486 2.659 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.448 7.378 3.871 1.00 0.00 H new ATOM 1409 N ALA A 91 -8.152 4.438 3.264 1.00 0.00 N ATOM 1410 CA ALA A 91 -8.225 3.200 4.029 1.00 0.00 C ATOM 1411 C ALA A 91 -8.096 1.983 3.119 1.00 0.00 C ATOM 1412 O ALA A 91 -7.885 0.866 3.591 1.00 0.00 O ATOM 1413 CB ALA A 91 -9.525 3.138 4.816 1.00 0.00 C ATOM 0 H ALA A 91 -8.992 4.651 2.726 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.390 3.187 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.564 2.207 5.382 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.575 3.983 5.503 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.369 3.180 4.128 1.00 0.00 H new ATOM 1419 N ALA A 92 -8.213 2.204 1.812 1.00 0.00 N ATOM 1420 CA ALA A 92 -8.116 1.122 0.841 1.00 0.00 C ATOM 1421 C ALA A 92 -6.704 1.029 0.280 1.00 0.00 C ATOM 1422 O ALA A 92 -6.187 -0.065 0.055 1.00 0.00 O ATOM 1423 CB ALA A 92 -9.120 1.324 -0.283 1.00 0.00 C ATOM 0 H ALA A 92 -8.375 3.124 1.403 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.347 0.185 1.349 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.034 0.507 -0.999 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.129 1.340 0.129 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.918 2.270 -0.786 1.00 0.00 H new ATOM 1429 N GLY A 93 -6.088 2.186 0.048 1.00 0.00 N ATOM 1430 CA GLY A 93 -4.735 2.207 -0.471 1.00 0.00 C ATOM 1431 C GLY A 93 -3.792 1.442 0.428 1.00 0.00 C ATOM 1432 O GLY A 93 -2.780 0.908 -0.024 1.00 0.00 O ATOM 0 H GLY A 93 -6.501 3.104 0.210 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.720 1.774 -1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.395 3.238 -0.565 1.00 0.00 H new ATOM 1436 N ILE A 94 -4.135 1.394 1.711 1.00 0.00 N ATOM 1437 CA ILE A 94 -3.328 0.678 2.689 1.00 0.00 C ATOM 1438 C ILE A 94 -3.288 -0.803 2.341 1.00 0.00 C ATOM 1439 O ILE A 94 -2.273 -1.474 2.529 1.00 0.00 O ATOM 1440 CB ILE A 94 -3.881 0.835 4.121 1.00 0.00 C ATOM 1441 CG1 ILE A 94 -4.502 2.221 4.325 1.00 0.00 C ATOM 1442 CG2 ILE A 94 -2.776 0.593 5.138 1.00 0.00 C ATOM 1443 CD1 ILE A 94 -3.553 3.367 4.050 1.00 0.00 C ATOM 0 H ILE A 94 -4.966 1.843 2.096 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.326 1.107 2.658 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.665 0.092 4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.371 2.318 3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.862 2.299 5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.177 0.706 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.383 -0.416 5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.975 1.315 4.983 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.067 4.313 4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.695 3.298 4.719 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.212 3.317 3.016 1.00 0.00 H new ATOM 1455 N VAL A 95 -4.407 -1.299 1.824 1.00 0.00 N ATOM 1456 CA VAL A 95 -4.533 -2.696 1.438 1.00 0.00 C ATOM 1457 C VAL A 95 -3.927 -2.946 0.058 1.00 0.00 C ATOM 1458 O VAL A 95 -3.458 -4.045 -0.233 1.00 0.00 O ATOM 1459 CB VAL A 95 -6.013 -3.128 1.426 1.00 0.00 C ATOM 1460 CG1 VAL A 95 -6.144 -4.605 1.095 1.00 0.00 C ATOM 1461 CG2 VAL A 95 -6.671 -2.812 2.761 1.00 0.00 C ATOM 0 H VAL A 95 -5.248 -0.745 1.662 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.989 -3.286 2.175 1.00 0.00 H new ATOM 0 HB VAL A 95 -6.527 -2.564 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.197 -4.885 1.093 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.715 -4.797 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.613 -5.194 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.715 -3.124 2.735 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.153 -3.346 3.557 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.617 -1.740 2.948 1.00 0.00 H new ATOM 1471 N ALA A 96 -3.931 -1.917 -0.787 1.00 0.00 N ATOM 1472 CA ALA A 96 -3.386 -2.034 -2.137 1.00 0.00 C ATOM 1473 C ALA A 96 -1.874 -2.228 -2.112 1.00 0.00 C ATOM 1474 O ALA A 96 -1.340 -3.105 -2.792 1.00 0.00 O ATOM 1475 CB ALA A 96 -3.748 -0.807 -2.959 1.00 0.00 C ATOM 0 H ALA A 96 -4.305 -0.995 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.828 -2.916 -2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.336 -0.907 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.833 -0.717 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -3.336 0.083 -2.485 1.00 0.00 H new ATOM 1481 N THR A 97 -1.189 -1.406 -1.325 1.00 0.00 N ATOM 1482 CA THR A 97 0.262 -1.490 -1.212 1.00 0.00 C ATOM 1483 C THR A 97 0.678 -2.724 -0.417 1.00 0.00 C ATOM 1484 O THR A 97 1.628 -3.417 -0.782 1.00 0.00 O ATOM 1485 CB THR A 97 0.850 -0.232 -0.543 1.00 0.00 C ATOM 1486 OG1 THR A 97 2.247 -0.417 -0.290 1.00 0.00 O ATOM 1487 CG2 THR A 97 0.129 0.078 0.761 1.00 0.00 C ATOM 0 H THR A 97 -1.615 -0.674 -0.756 1.00 0.00 H new ATOM 0 HA THR A 97 0.656 -1.565 -2.226 1.00 0.00 H new ATOM 0 HB THR A 97 0.713 0.609 -1.223 1.00 0.00 H new ATOM 0 HG1 THR A 97 2.612 0.388 0.134 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.563 0.970 1.213 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.928 0.250 0.560 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.236 -0.764 1.445 1.00 0.00 H new ATOM 1495 N LEU A 98 -0.039 -2.990 0.673 1.00 0.00 N ATOM 1496 CA LEU A 98 0.249 -4.150 1.515 1.00 0.00 C ATOM 1497 C LEU A 98 0.278 -5.432 0.689 1.00 0.00 C ATOM 1498 O LEU A 98 1.212 -6.227 0.794 1.00 0.00 O ATOM 1499 CB LEU A 98 -0.793 -4.277 2.629 1.00 0.00 C ATOM 1500 CG LEU A 98 -0.520 -3.432 3.877 1.00 0.00 C ATOM 1501 CD1 LEU A 98 -1.692 -3.516 4.843 1.00 0.00 C ATOM 1502 CD2 LEU A 98 0.766 -3.881 4.556 1.00 0.00 C ATOM 0 H LEU A 98 -0.822 -2.420 0.994 1.00 0.00 H new ATOM 0 HA LEU A 98 1.232 -4.001 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.767 -3.998 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.858 -5.324 2.926 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.400 -2.393 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.481 -2.910 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.593 -3.145 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.842 -4.553 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.943 -3.269 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.676 -4.927 4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.601 -3.769 3.864 1.00 0.00 H new ATOM 1514 N PHE A 99 -0.750 -5.629 -0.132 1.00 0.00 N ATOM 1515 CA PHE A 99 -0.838 -6.818 -0.976 1.00 0.00 C ATOM 1516 C PHE A 99 0.347 -6.900 -1.932 1.00 0.00 C ATOM 1517 O PHE A 99 0.781 -7.991 -2.303 1.00 0.00 O ATOM 1518 CB PHE A 99 -2.150 -6.819 -1.763 1.00 0.00 C ATOM 1519 CG PHE A 99 -3.247 -7.598 -1.095 1.00 0.00 C ATOM 1520 CD1 PHE A 99 -4.055 -7.007 -0.136 1.00 0.00 C ATOM 1521 CD2 PHE A 99 -3.469 -8.925 -1.426 1.00 0.00 C ATOM 1522 CE1 PHE A 99 -5.063 -7.726 0.479 1.00 0.00 C ATOM 1523 CE2 PHE A 99 -4.475 -9.649 -0.815 1.00 0.00 C ATOM 1524 CZ PHE A 99 -5.272 -9.048 0.139 1.00 0.00 C ATOM 0 H PHE A 99 -1.533 -4.982 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.815 -7.693 -0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.480 -5.790 -1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.970 -7.236 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.895 -5.973 0.134 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.848 -9.400 -2.171 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.686 -7.254 1.224 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.637 -10.683 -1.083 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.058 -9.612 0.619 1.00 0.00 H new ATOM 1534 N ALA A 100 0.865 -5.743 -2.329 1.00 0.00 N ATOM 1535 CA ALA A 100 2.004 -5.691 -3.239 1.00 0.00 C ATOM 1536 C ALA A 100 3.262 -6.214 -2.554 1.00 0.00 C ATOM 1537 O ALA A 100 4.054 -6.939 -3.157 1.00 0.00 O ATOM 1538 CB ALA A 100 2.220 -4.270 -3.735 1.00 0.00 C ATOM 0 H ALA A 100 0.516 -4.831 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 100 1.790 -6.329 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.073 -4.247 -4.413 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.329 -3.929 -4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.413 -3.614 -2.886 1.00 0.00 H new ATOM 1544 N LEU A 101 3.436 -5.835 -1.293 1.00 0.00 N ATOM 1545 CA LEU A 101 4.593 -6.263 -0.512 1.00 0.00 C ATOM 1546 C LEU A 101 4.676 -7.785 -0.450 1.00 0.00 C ATOM 1547 O LEU A 101 5.762 -8.362 -0.522 1.00 0.00 O ATOM 1548 CB LEU A 101 4.513 -5.694 0.906 1.00 0.00 C ATOM 1549 CG LEU A 101 4.403 -4.170 0.994 1.00 0.00 C ATOM 1550 CD1 LEU A 101 4.144 -3.737 2.429 1.00 0.00 C ATOM 1551 CD2 LEU A 101 5.663 -3.511 0.454 1.00 0.00 C ATOM 0 H LEU A 101 2.789 -5.230 -0.787 1.00 0.00 H new ATOM 0 HA LEU A 101 5.490 -5.885 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.651 -6.134 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.399 -6.010 1.457 1.00 0.00 H new ATOM 0 HG LEU A 101 3.560 -3.849 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.069 -2.651 2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.212 -4.180 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.966 -4.070 3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.566 -2.428 0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.523 -3.837 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.804 -3.795 -0.589 1.00 0.00 H new ATOM 1563 N GLY A 102 3.521 -8.429 -0.314 1.00 0.00 N ATOM 1564 CA GLY A 102 3.481 -9.879 -0.235 1.00 0.00 C ATOM 1565 C GLY A 102 3.826 -10.554 -1.548 1.00 0.00 C ATOM 1566 O GLY A 102 4.225 -11.719 -1.564 1.00 0.00 O ATOM 0 H GLY A 102 2.611 -7.972 -0.257 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.177 -10.215 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.485 -10.193 0.078 1.00 0.00 H new ATOM 1570 N GLN A 103 3.673 -9.828 -2.652 1.00 0.00 N ATOM 1571 CA GLN A 103 3.971 -10.379 -3.970 1.00 0.00 C ATOM 1572 C GLN A 103 5.459 -10.265 -4.291 1.00 0.00 C ATOM 1573 O GLN A 103 6.089 -11.237 -4.705 1.00 0.00 O ATOM 1574 CB GLN A 103 3.159 -9.661 -5.047 1.00 0.00 C ATOM 1575 CG GLN A 103 3.206 -10.352 -6.400 1.00 0.00 C ATOM 1576 CD GLN A 103 2.851 -9.422 -7.543 1.00 0.00 C ATOM 1577 OE1 GLN A 103 3.726 -8.804 -8.149 1.00 0.00 O ATOM 1578 NE2 GLN A 103 1.562 -9.310 -7.838 1.00 0.00 N ATOM 0 H GLN A 103 3.346 -8.862 -2.660 1.00 0.00 H new ATOM 0 HA GLN A 103 3.697 -11.434 -3.956 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.122 -9.588 -4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.532 -8.643 -5.154 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.205 -10.756 -6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 103 2.517 -11.197 -6.396 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.870 -9.841 -7.310 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.263 -8.693 -8.593 1.00 0.00 H new ATOM 1587 N LEU A 104 6.012 -9.071 -4.100 1.00 0.00 N ATOM 1588 CA LEU A 104 7.424 -8.829 -4.377 1.00 0.00 C ATOM 1589 C LEU A 104 8.311 -9.724 -3.519 1.00 0.00 C ATOM 1590 O LEU A 104 9.324 -10.243 -3.987 1.00 0.00 O ATOM 1591 CB LEU A 104 7.769 -7.358 -4.127 1.00 0.00 C ATOM 1592 CG LEU A 104 6.946 -6.352 -4.935 1.00 0.00 C ATOM 1593 CD1 LEU A 104 7.340 -4.928 -4.569 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.121 -6.588 -6.428 1.00 0.00 C ATOM 0 H LEU A 104 5.504 -8.256 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 104 7.608 -9.066 -5.425 1.00 0.00 H new ATOM 0 HB2 LEU A 104 7.635 -7.145 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 104 8.824 -7.205 -4.352 1.00 0.00 H new ATOM 0 HG LEU A 104 5.894 -6.494 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.746 -4.225 -5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.159 -4.762 -3.507 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.397 -4.776 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.527 -5.862 -6.983 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.172 -6.476 -6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.789 -7.596 -6.678 1.00 0.00 H new ATOM 1606 N ALA A 105 7.924 -9.899 -2.259 1.00 0.00 N ATOM 1607 CA ALA A 105 8.683 -10.732 -1.334 1.00 0.00 C ATOM 1608 C ALA A 105 8.709 -12.184 -1.797 1.00 0.00 C ATOM 1609 O ALA A 105 9.687 -12.900 -1.577 1.00 0.00 O ATOM 1610 CB ALA A 105 8.091 -10.637 0.064 1.00 0.00 C ATOM 0 H ALA A 105 7.089 -9.475 -1.856 1.00 0.00 H new ATOM 0 HA ALA A 105 9.709 -10.366 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.666 -11.263 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.126 -9.602 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.056 -10.977 0.045 1.00 0.00 H new ATOM 1616 N ALA A 106 7.627 -12.613 -2.440 1.00 0.00 N ATOM 1617 CA ALA A 106 7.518 -13.982 -2.930 1.00 0.00 C ATOM 1618 C ALA A 106 7.923 -14.079 -4.397 1.00 0.00 C ATOM 1619 O ALA A 106 8.040 -15.174 -4.945 1.00 0.00 O ATOM 1620 CB ALA A 106 6.100 -14.492 -2.743 1.00 0.00 C ATOM 0 H ALA A 106 6.812 -12.031 -2.634 1.00 0.00 H new ATOM 0 HA ALA A 106 8.201 -14.603 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.030 -15.515 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 106 5.842 -14.470 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.409 -13.858 -3.298 1.00 0.00 H new ATOM 1626 N GLU A 107 8.132 -12.929 -5.027 1.00 0.00 N ATOM 1627 CA GLU A 107 8.519 -12.885 -6.432 1.00 0.00 C ATOM 1628 C GLU A 107 10.010 -13.167 -6.589 1.00 0.00 C ATOM 1629 O GLU A 107 10.410 -14.033 -7.367 1.00 0.00 O ATOM 1630 CB GLU A 107 8.175 -11.518 -7.031 1.00 0.00 C ATOM 1631 CG GLU A 107 8.217 -11.481 -8.552 1.00 0.00 C ATOM 1632 CD GLU A 107 9.624 -11.582 -9.109 1.00 0.00 C ATOM 1633 OE1 GLU A 107 10.363 -10.577 -9.041 1.00 0.00 O ATOM 1634 OE2 GLU A 107 9.986 -12.665 -9.613 1.00 0.00 O ATOM 0 H GLU A 107 8.040 -12.014 -4.587 1.00 0.00 H new ATOM 0 HA GLU A 107 7.964 -13.656 -6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.179 -11.227 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.871 -10.776 -6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.616 -12.301 -8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.760 -10.555 -8.900 1.00 0.00 H new ATOM 1750 N LEU A 117 12.086 -6.605 2.648 1.00 0.00 N ATOM 1751 CA LEU A 117 10.934 -5.804 2.255 1.00 0.00 C ATOM 1752 C LEU A 117 9.708 -6.207 3.066 1.00 0.00 C ATOM 1753 O LEU A 117 8.722 -5.471 3.131 1.00 0.00 O ATOM 1754 CB LEU A 117 10.663 -5.939 0.743 1.00 0.00 C ATOM 1755 CG LEU A 117 9.946 -7.217 0.275 1.00 0.00 C ATOM 1756 CD1 LEU A 117 10.542 -8.455 0.924 1.00 0.00 C ATOM 1757 CD2 LEU A 117 8.449 -7.131 0.542 1.00 0.00 C ATOM 0 HA LEU A 117 11.154 -4.757 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.068 -5.082 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 117 11.617 -5.875 0.220 1.00 0.00 H new ATOM 0 HG LEU A 117 10.094 -7.303 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.013 -9.341 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.596 -8.533 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.445 -8.381 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.966 -8.047 0.202 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.277 -7.005 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 117 8.032 -6.279 0.004 1.00 0.00 H new ATOM 1769 N ILE A 118 9.779 -7.382 3.686 1.00 0.00 N ATOM 1770 CA ILE A 118 8.682 -7.886 4.499 1.00 0.00 C ATOM 1771 C ILE A 118 8.446 -6.970 5.691 1.00 0.00 C ATOM 1772 O ILE A 118 7.311 -6.778 6.130 1.00 0.00 O ATOM 1773 CB ILE A 118 8.967 -9.321 4.995 1.00 0.00 C ATOM 1774 CG1 ILE A 118 8.674 -10.335 3.885 1.00 0.00 C ATOM 1775 CG2 ILE A 118 8.147 -9.634 6.242 1.00 0.00 C ATOM 1776 CD1 ILE A 118 7.226 -10.353 3.440 1.00 0.00 C ATOM 0 H ILE A 118 10.587 -8.002 3.639 1.00 0.00 H new ATOM 0 HA ILE A 118 7.788 -7.908 3.876 1.00 0.00 H new ATOM 0 HB ILE A 118 10.022 -9.392 5.258 1.00 0.00 H new ATOM 0 HG12 ILE A 118 9.306 -10.111 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 118 8.950 -11.330 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.363 -10.649 6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.405 -8.930 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 118 7.085 -9.546 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 118 7.097 -11.095 2.652 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.588 -10.607 4.287 1.00 0.00 H new ATOM 0 HD13 ILE A 118 6.950 -9.369 3.060 1.00 0.00 H new ATOM 1788 N ASP A 119 9.532 -6.407 6.205 1.00 0.00 N ATOM 1789 CA ASP A 119 9.463 -5.501 7.342 1.00 0.00 C ATOM 1790 C ASP A 119 8.446 -4.396 7.093 1.00 0.00 C ATOM 1791 O ASP A 119 7.655 -4.056 7.973 1.00 0.00 O ATOM 1792 CB ASP A 119 10.836 -4.887 7.606 1.00 0.00 C ATOM 1793 CG ASP A 119 11.505 -5.466 8.837 1.00 0.00 C ATOM 1794 OD1 ASP A 119 11.141 -5.056 9.959 1.00 0.00 O ATOM 1795 OD2 ASP A 119 12.391 -6.331 8.680 1.00 0.00 O ATOM 0 H ASP A 119 10.475 -6.564 5.850 1.00 0.00 H new ATOM 0 HA ASP A 119 9.148 -6.073 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 119 11.476 -5.050 6.739 1.00 0.00 H new ATOM 0 HB3 ASP A 119 10.731 -3.809 7.727 1.00 0.00 H new ATOM 1800 N ARG A 120 8.466 -3.849 5.882 1.00 0.00 N ATOM 1801 CA ARG A 120 7.556 -2.772 5.509 1.00 0.00 C ATOM 1802 C ARG A 120 6.106 -3.174 5.749 1.00 0.00 C ATOM 1803 O ARG A 120 5.285 -2.353 6.156 1.00 0.00 O ATOM 1804 CB ARG A 120 7.754 -2.389 4.038 1.00 0.00 C ATOM 1805 CG ARG A 120 9.097 -1.735 3.741 1.00 0.00 C ATOM 1806 CD ARG A 120 10.242 -2.731 3.826 1.00 0.00 C ATOM 1807 NE ARG A 120 11.477 -2.203 3.251 1.00 0.00 N ATOM 1808 CZ ARG A 120 11.791 -2.302 1.962 1.00 0.00 C ATOM 1809 NH1 ARG A 120 10.952 -2.883 1.115 1.00 0.00 N ATOM 1810 NH2 ARG A 120 12.941 -1.814 1.518 1.00 0.00 N ATOM 0 H ARG A 120 9.105 -4.135 5.140 1.00 0.00 H new ATOM 0 HA ARG A 120 7.784 -1.909 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 120 7.654 -3.284 3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.957 -1.708 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 120 9.073 -1.293 2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.269 -0.922 4.447 1.00 0.00 H new ATOM 0 HD2 ARG A 120 10.413 -2.997 4.869 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.964 -3.647 3.305 1.00 0.00 H new ATOM 0 HE ARG A 120 12.135 -1.732 3.872 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.064 -3.255 1.451 1.00 0.00 H new ATOM 0 HH12 ARG A 120 11.195 -2.958 0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 120 13.587 -1.362 2.165 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.180 -1.891 0.529 1.00 0.00 H new ATOM 1824 N TYR A 121 5.797 -4.440 5.493 1.00 0.00 N ATOM 1825 CA TYR A 121 4.443 -4.946 5.682 1.00 0.00 C ATOM 1826 C TYR A 121 4.065 -4.956 7.161 1.00 0.00 C ATOM 1827 O TYR A 121 3.037 -4.404 7.551 1.00 0.00 O ATOM 1828 CB TYR A 121 4.313 -6.357 5.102 1.00 0.00 C ATOM 1829 CG TYR A 121 2.884 -6.847 5.008 1.00 0.00 C ATOM 1830 CD1 TYR A 121 2.185 -7.237 6.144 1.00 0.00 C ATOM 1831 CD2 TYR A 121 2.235 -6.918 3.782 1.00 0.00 C ATOM 1832 CE1 TYR A 121 0.880 -7.682 6.061 1.00 0.00 C ATOM 1833 CE2 TYR A 121 0.929 -7.363 3.690 1.00 0.00 C ATOM 1834 CZ TYR A 121 0.257 -7.744 4.833 1.00 0.00 C ATOM 1835 OH TYR A 121 -1.043 -8.186 4.747 1.00 0.00 O ATOM 0 H TYR A 121 6.464 -5.133 5.155 1.00 0.00 H new ATOM 0 HA TYR A 121 3.760 -4.280 5.155 1.00 0.00 H new ATOM 0 HB2 TYR A 121 4.760 -6.374 4.108 1.00 0.00 H new ATOM 0 HB3 TYR A 121 4.885 -7.049 5.721 1.00 0.00 H new ATOM 0 HD1 TYR A 121 2.670 -7.191 7.108 1.00 0.00 H new ATOM 0 HD2 TYR A 121 2.759 -6.621 2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 121 0.350 -7.980 6.954 1.00 0.00 H new ATOM 0 HE2 TYR A 121 0.438 -7.412 2.729 1.00 0.00 H new ATOM 0 HH TYR A 121 -1.333 -8.168 3.811 1.00 0.00 H new ATOM 1845 N HIS A 122 4.902 -5.588 7.977 1.00 0.00 N ATOM 1846 CA HIS A 122 4.657 -5.678 9.415 1.00 0.00 C ATOM 1847 C HIS A 122 4.449 -4.299 10.032 1.00 0.00 C ATOM 1848 O HIS A 122 3.635 -4.131 10.940 1.00 0.00 O ATOM 1849 CB HIS A 122 5.822 -6.384 10.111 1.00 0.00 C ATOM 1850 CG HIS A 122 5.816 -7.871 9.941 1.00 0.00 C ATOM 1851 ND1 HIS A 122 5.593 -8.746 10.984 1.00 0.00 N ATOM 1852 CD2 HIS A 122 6.012 -8.641 8.844 1.00 0.00 C ATOM 1853 CE1 HIS A 122 5.653 -9.987 10.537 1.00 0.00 C ATOM 1854 NE2 HIS A 122 5.906 -9.950 9.242 1.00 0.00 N ATOM 0 H HIS A 122 5.759 -6.047 7.668 1.00 0.00 H new ATOM 0 HA HIS A 122 3.745 -6.258 9.558 1.00 0.00 H new ATOM 0 HB2 HIS A 122 6.760 -5.987 9.722 1.00 0.00 H new ATOM 0 HB3 HIS A 122 5.793 -6.149 11.175 1.00 0.00 H new ATOM 0 HD2 HIS A 122 6.214 -8.290 7.843 1.00 0.00 H new ATOM 0 HE1 HIS A 122 5.518 -10.880 11.130 1.00 0.00 H new ATOM 0 HE2 HIS A 122 6.007 -10.763 8.635 1.00 0.00 H new ATOM 1863 N PHE A 123 5.188 -3.312 9.535 1.00 0.00 N ATOM 1864 CA PHE A 123 5.088 -1.950 10.052 1.00 0.00 C ATOM 1865 C PHE A 123 3.811 -1.258 9.576 1.00 0.00 C ATOM 1866 O PHE A 123 3.033 -0.752 10.386 1.00 0.00 O ATOM 1867 CB PHE A 123 6.309 -1.126 9.630 1.00 0.00 C ATOM 1868 CG PHE A 123 7.606 -1.617 10.210 1.00 0.00 C ATOM 1869 CD1 PHE A 123 7.707 -1.928 11.558 1.00 0.00 C ATOM 1870 CD2 PHE A 123 8.725 -1.763 9.408 1.00 0.00 C ATOM 1871 CE1 PHE A 123 8.900 -2.379 12.092 1.00 0.00 C ATOM 1872 CE2 PHE A 123 9.921 -2.211 9.936 1.00 0.00 C ATOM 1873 CZ PHE A 123 10.008 -2.520 11.280 1.00 0.00 C ATOM 0 H PHE A 123 5.861 -3.428 8.777 1.00 0.00 H new ATOM 0 HA PHE A 123 5.054 -2.017 11.139 1.00 0.00 H new ATOM 0 HB2 PHE A 123 6.382 -1.135 8.543 1.00 0.00 H new ATOM 0 HB3 PHE A 123 6.157 -0.089 9.931 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.844 -1.817 12.198 1.00 0.00 H new ATOM 0 HD2 PHE A 123 8.663 -1.524 8.357 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.965 -2.621 13.143 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.786 -2.319 9.299 1.00 0.00 H new ATOM 0 HZ PHE A 123 10.941 -2.871 11.695 1.00 0.00 H new ATOM 1883 N LEU A 124 3.604 -1.237 8.263 1.00 0.00 N ATOM 1884 CA LEU A 124 2.432 -0.592 7.678 1.00 0.00 C ATOM 1885 C LEU A 124 1.134 -1.127 8.275 1.00 0.00 C ATOM 1886 O LEU A 124 0.317 -0.359 8.783 1.00 0.00 O ATOM 1887 CB LEU A 124 2.424 -0.785 6.161 1.00 0.00 C ATOM 1888 CG LEU A 124 1.170 -0.275 5.446 1.00 0.00 C ATOM 1889 CD1 LEU A 124 0.948 1.201 5.739 1.00 0.00 C ATOM 1890 CD2 LEU A 124 1.280 -0.511 3.947 1.00 0.00 C ATOM 0 H LEU A 124 4.234 -1.660 7.582 1.00 0.00 H new ATOM 0 HA LEU A 124 2.494 0.471 7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 124 3.293 -0.278 5.742 1.00 0.00 H new ATOM 0 HB3 LEU A 124 2.539 -1.847 5.945 1.00 0.00 H new ATOM 0 HG LEU A 124 0.311 -0.831 5.821 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.052 1.544 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.824 1.344 6.812 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.808 1.774 5.393 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.380 -0.143 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 124 2.150 0.019 3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 124 1.389 -1.578 3.754 1.00 0.00 H new ATOM 1902 N ARG A 125 0.942 -2.439 8.194 1.00 0.00 N ATOM 1903 CA ARG A 125 -0.262 -3.072 8.726 1.00 0.00 C ATOM 1904 C ARG A 125 -0.589 -2.545 10.121 1.00 0.00 C ATOM 1905 O ARG A 125 -1.756 -2.332 10.455 1.00 0.00 O ATOM 1906 CB ARG A 125 -0.091 -4.592 8.773 1.00 0.00 C ATOM 1907 CG ARG A 125 -1.390 -5.338 9.033 1.00 0.00 C ATOM 1908 CD ARG A 125 -1.148 -6.825 9.234 1.00 0.00 C ATOM 1909 NE ARG A 125 -0.424 -7.099 10.471 1.00 0.00 N ATOM 1910 CZ ARG A 125 0.574 -7.971 10.565 1.00 0.00 C ATOM 1911 NH1 ARG A 125 0.972 -8.646 9.496 1.00 0.00 N ATOM 1912 NH2 ARG A 125 1.177 -8.166 11.730 1.00 0.00 N ATOM 0 H ARG A 125 1.604 -3.086 7.765 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.090 -2.826 8.061 1.00 0.00 H new ATOM 0 HB2 ARG A 125 0.332 -4.932 7.828 1.00 0.00 H new ATOM 0 HB3 ARG A 125 0.627 -4.845 9.553 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.877 -4.925 9.916 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.070 -5.189 8.195 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.104 -7.349 9.250 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -0.583 -7.218 8.389 1.00 0.00 H new ATOM 0 HE ARG A 125 -0.700 -6.592 11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 125 0.512 -8.497 8.598 1.00 0.00 H new ATOM 0 HH12 ARG A 125 1.738 -9.315 9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 125 0.875 -7.646 12.554 1.00 0.00 H new ATOM 0 HH22 ARG A 125 1.943 -8.836 11.802 1.00 0.00 H new ATOM 1926 N GLY A 126 0.444 -2.337 10.932 1.00 0.00 N ATOM 1927 CA GLY A 126 0.245 -1.838 12.281 1.00 0.00 C ATOM 1928 C GLY A 126 -0.282 -0.416 12.315 1.00 0.00 C ATOM 1929 O GLY A 126 -1.046 -0.055 13.210 1.00 0.00 O ATOM 0 H GLY A 126 1.417 -2.506 10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.453 -2.491 12.805 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.190 -1.882 12.822 1.00 0.00 H new ATOM 1933 N PHE A 127 0.127 0.395 11.344 1.00 0.00 N ATOM 1934 CA PHE A 127 -0.314 1.785 11.270 1.00 0.00 C ATOM 1935 C PHE A 127 -1.814 1.871 11.010 1.00 0.00 C ATOM 1936 O PHE A 127 -2.495 2.758 11.525 1.00 0.00 O ATOM 1937 CB PHE A 127 0.455 2.520 10.166 1.00 0.00 C ATOM 1938 CG PHE A 127 -0.139 3.848 9.786 1.00 0.00 C ATOM 1939 CD1 PHE A 127 -0.252 4.867 10.717 1.00 0.00 C ATOM 1940 CD2 PHE A 127 -0.585 4.074 8.493 1.00 0.00 C ATOM 1941 CE1 PHE A 127 -0.798 6.088 10.367 1.00 0.00 C ATOM 1942 CE2 PHE A 127 -1.132 5.292 8.137 1.00 0.00 C ATOM 1943 CZ PHE A 127 -1.239 6.301 9.076 1.00 0.00 C ATOM 0 H PHE A 127 0.763 0.114 10.598 1.00 0.00 H new ATOM 0 HA PHE A 127 -0.108 2.260 12.229 1.00 0.00 H new ATOM 0 HB2 PHE A 127 1.483 2.674 10.494 1.00 0.00 H new ATOM 0 HB3 PHE A 127 0.495 1.885 9.281 1.00 0.00 H new ATOM 0 HD1 PHE A 127 0.090 4.706 11.729 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -0.504 3.289 7.756 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.880 6.874 11.103 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.476 5.456 7.126 1.00 0.00 H new ATOM 0 HZ PHE A 127 -1.667 7.254 8.800 1.00 0.00 H new ATOM 1953 N ALA A 128 -2.322 0.940 10.211 1.00 0.00 N ATOM 1954 CA ALA A 128 -3.739 0.909 9.874 1.00 0.00 C ATOM 1955 C ALA A 128 -4.584 0.426 11.047 1.00 0.00 C ATOM 1956 O ALA A 128 -5.812 0.386 10.961 1.00 0.00 O ATOM 1957 CB ALA A 128 -3.970 0.023 8.663 1.00 0.00 C ATOM 0 H ALA A 128 -1.772 0.195 9.784 1.00 0.00 H new ATOM 0 HA ALA A 128 -4.047 1.928 9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -5.033 0.008 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -3.410 0.414 7.814 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -3.634 -0.990 8.884 1.00 0.00 H new ATOM 1963 N ALA A 129 -3.926 0.059 12.141 1.00 0.00 N ATOM 1964 CA ALA A 129 -4.632 -0.420 13.323 1.00 0.00 C ATOM 1965 C ALA A 129 -5.233 0.741 14.107 1.00 0.00 C ATOM 1966 O ALA A 129 -6.196 0.566 14.853 1.00 0.00 O ATOM 1967 CB ALA A 129 -3.695 -1.229 14.207 1.00 0.00 C ATOM 0 H ALA A 129 -2.911 0.084 12.234 1.00 0.00 H new ATOM 0 HA ALA A 129 -5.447 -1.065 12.994 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -4.236 -1.580 15.086 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -3.316 -2.085 13.648 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -2.860 -0.603 14.521 1.00 0.00 H new ATOM 1973 N GLY A 130 -4.657 1.927 13.931 1.00 0.00 N ATOM 1974 CA GLY A 130 -5.148 3.101 14.629 1.00 0.00 C ATOM 1975 C GLY A 130 -6.126 3.911 13.799 1.00 0.00 C ATOM 1976 O GLY A 130 -6.576 4.976 14.223 1.00 0.00 O ATOM 0 H GLY A 130 -3.860 2.095 13.318 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -5.633 2.791 15.555 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -4.304 3.732 14.907 1.00 0.00 H new ATOM 1980 N HIS A 131 -6.457 3.406 12.615 1.00 0.00 N ATOM 1981 CA HIS A 131 -7.391 4.093 11.728 1.00 0.00 C ATOM 1982 C HIS A 131 -8.836 3.802 12.130 1.00 0.00 C ATOM 1983 O HIS A 131 -9.132 2.741 12.678 1.00 0.00 O ATOM 1984 CB HIS A 131 -7.155 3.672 10.276 1.00 0.00 C ATOM 1985 CG HIS A 131 -6.273 4.616 9.517 1.00 0.00 C ATOM 1986 ND1 HIS A 131 -4.997 4.485 9.085 1.00 0.00 N flip ATOM 1987 CD2 HIS A 131 -6.684 5.871 9.118 1.00 0.00 C flip ATOM 1988 CE1 HIS A 131 -4.664 5.651 8.440 1.00 0.00 C flip ATOM 1989 NE2 HIS A 131 -5.699 6.471 8.474 1.00 0.00 N flip ATOM 0 H HIS A 131 -6.094 2.526 12.248 1.00 0.00 H new ATOM 0 HA HIS A 131 -7.217 5.165 11.818 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -6.707 2.678 10.262 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -8.116 3.596 9.767 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -7.659 6.297 9.303 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -3.710 5.863 7.980 1.00 0.00 H new ATOM 0 HE2 HIS A 131 -5.732 7.408 8.072 1.00 0.00 H new ATOM 1998 N PRO A 132 -9.755 4.749 11.868 1.00 0.00 N ATOM 1999 CA PRO A 132 -11.175 4.588 12.206 1.00 0.00 C ATOM 2000 C PRO A 132 -11.793 3.372 11.527 1.00 0.00 C ATOM 2001 O PRO A 132 -12.708 2.746 12.064 1.00 0.00 O ATOM 2002 CB PRO A 132 -11.823 5.876 11.686 1.00 0.00 C ATOM 2003 CG PRO A 132 -10.704 6.855 11.575 1.00 0.00 C ATOM 2004 CD PRO A 132 -9.488 6.049 11.227 1.00 0.00 C ATOM 0 HA PRO A 132 -11.321 4.428 13.274 1.00 0.00 H new ATOM 0 HB2 PRO A 132 -12.303 5.714 10.721 1.00 0.00 H new ATOM 0 HB3 PRO A 132 -12.594 6.233 12.369 1.00 0.00 H new ATOM 0 HG2 PRO A 132 -10.912 7.601 10.807 1.00 0.00 H new ATOM 0 HG3 PRO A 132 -10.561 7.393 12.512 1.00 0.00 H new ATOM 0 HD2 PRO A 132 -9.365 5.949 10.149 1.00 0.00 H new ATOM 0 HD3 PRO A 132 -8.577 6.508 11.610 1.00 0.00 H new ATOM 2012 N GLU A 133 -11.287 3.043 10.344 1.00 0.00 N ATOM 2013 CA GLU A 133 -11.786 1.901 9.587 1.00 0.00 C ATOM 2014 C GLU A 133 -10.863 0.701 9.739 1.00 0.00 C ATOM 2015 O GLU A 133 -10.908 -0.230 8.937 1.00 0.00 O ATOM 2016 CB GLU A 133 -11.930 2.269 8.110 1.00 0.00 C ATOM 2017 CG GLU A 133 -13.117 3.173 7.830 1.00 0.00 C ATOM 2018 CD GLU A 133 -12.987 3.926 6.522 1.00 0.00 C ATOM 2019 OE1 GLU A 133 -12.034 4.723 6.388 1.00 0.00 O ATOM 2020 OE2 GLU A 133 -13.839 3.723 5.632 1.00 0.00 O ATOM 0 H GLU A 133 -10.530 3.552 9.888 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.765 1.632 9.984 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -11.018 2.764 7.775 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -12.031 1.356 7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -14.027 2.574 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -13.224 3.888 8.646 1.00 0.00 H new ATOM 2027 N ALA A 134 -10.017 0.740 10.767 1.00 0.00 N ATOM 2028 CA ALA A 134 -9.084 -0.348 11.038 1.00 0.00 C ATOM 2029 C ALA A 134 -9.754 -1.702 10.848 1.00 0.00 C ATOM 2030 O ALA A 134 -9.170 -2.617 10.272 1.00 0.00 O ATOM 2031 CB ALA A 134 -8.527 -0.228 12.448 1.00 0.00 C ATOM 0 H ALA A 134 -9.960 1.516 11.426 1.00 0.00 H new ATOM 0 HA ALA A 134 -8.261 -0.274 10.327 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -7.832 -1.047 12.636 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -8.004 0.723 12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -9.345 -0.274 13.167 1.00 0.00 H new ATOM 2037 N ALA A 135 -10.982 -1.824 11.342 1.00 0.00 N ATOM 2038 CA ALA A 135 -11.735 -3.064 11.219 1.00 0.00 C ATOM 2039 C ALA A 135 -11.850 -3.509 9.764 1.00 0.00 C ATOM 2040 O ALA A 135 -11.665 -4.684 9.451 1.00 0.00 O ATOM 2041 CB ALA A 135 -13.117 -2.903 11.833 1.00 0.00 C ATOM 0 H ALA A 135 -11.476 -1.078 11.831 1.00 0.00 H new ATOM 0 HA ALA A 135 -11.192 -3.839 11.760 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -13.670 -3.837 11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -13.019 -2.649 12.888 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -13.654 -2.107 11.317 1.00 0.00 H new ATOM 2047 N ALA A 136 -12.161 -2.570 8.877 1.00 0.00 N ATOM 2048 CA ALA A 136 -12.308 -2.881 7.460 1.00 0.00 C ATOM 2049 C ALA A 136 -10.960 -3.164 6.800 1.00 0.00 C ATOM 2050 O ALA A 136 -10.849 -4.045 5.949 1.00 0.00 O ATOM 2051 CB ALA A 136 -13.017 -1.744 6.743 1.00 0.00 C ATOM 0 H ALA A 136 -12.316 -1.590 9.113 1.00 0.00 H new ATOM 0 HA ALA A 136 -12.911 -3.786 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -13.120 -1.989 5.686 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -14.005 -1.598 7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -12.435 -0.828 6.848 1.00 0.00 H new ATOM 2057 N ILE A 137 -9.941 -2.410 7.196 1.00 0.00 N ATOM 2058 CA ILE A 137 -8.604 -2.563 6.632 1.00 0.00 C ATOM 2059 C ILE A 137 -7.946 -3.896 6.993 1.00 0.00 C ATOM 2060 O ILE A 137 -7.478 -4.616 6.110 1.00 0.00 O ATOM 2061 CB ILE A 137 -7.685 -1.414 7.084 1.00 0.00 C ATOM 2062 CG1 ILE A 137 -8.216 -0.079 6.559 1.00 0.00 C ATOM 2063 CG2 ILE A 137 -6.260 -1.655 6.609 1.00 0.00 C ATOM 2064 CD1 ILE A 137 -7.508 1.125 7.138 1.00 0.00 C ATOM 0 H ILE A 137 -10.015 -1.684 7.908 1.00 0.00 H new ATOM 0 HA ILE A 137 -8.735 -2.539 5.550 1.00 0.00 H new ATOM 0 HB ILE A 137 -7.676 -1.377 8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -8.118 -0.060 5.474 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -9.280 -0.007 6.784 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -5.623 -0.833 6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.890 -2.591 7.028 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -6.244 -1.714 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -7.938 2.035 6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -7.628 1.131 8.221 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -6.448 1.077 6.890 1.00 0.00 H new ATOM 2076 N TYR A 138 -7.906 -4.227 8.281 1.00 0.00 N ATOM 2077 CA TYR A 138 -7.268 -5.466 8.724 1.00 0.00 C ATOM 2078 C TYR A 138 -7.987 -6.693 8.174 1.00 0.00 C ATOM 2079 O TYR A 138 -7.352 -7.695 7.846 1.00 0.00 O ATOM 2080 CB TYR A 138 -7.192 -5.521 10.257 1.00 0.00 C ATOM 2081 CG TYR A 138 -8.337 -6.258 10.916 1.00 0.00 C ATOM 2082 CD1 TYR A 138 -9.514 -5.601 11.240 1.00 0.00 C ATOM 2083 CD2 TYR A 138 -8.235 -7.611 11.218 1.00 0.00 C ATOM 2084 CE1 TYR A 138 -10.561 -6.270 11.845 1.00 0.00 C ATOM 2085 CE2 TYR A 138 -9.277 -8.288 11.824 1.00 0.00 C ATOM 2086 CZ TYR A 138 -10.438 -7.613 12.135 1.00 0.00 C ATOM 2087 OH TYR A 138 -11.478 -8.282 12.738 1.00 0.00 O ATOM 0 H TYR A 138 -8.303 -3.661 9.031 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.252 -5.474 8.328 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.256 -5.999 10.545 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.162 -4.502 10.643 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -9.614 -4.549 11.016 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -7.327 -8.142 10.975 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -11.472 -5.744 12.090 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -9.182 -9.339 12.052 1.00 0.00 H new ATOM 0 HH TYR A 138 -11.229 -9.220 12.872 1.00 0.00 H new ATOM 2097 N ARG A 139 -9.310 -6.616 8.073 1.00 0.00 N ATOM 2098 CA ARG A 139 -10.090 -7.732 7.553 1.00 0.00 C ATOM 2099 C ARG A 139 -9.888 -7.846 6.046 1.00 0.00 C ATOM 2100 O ARG A 139 -9.971 -8.933 5.475 1.00 0.00 O ATOM 2101 CB ARG A 139 -11.574 -7.561 7.882 1.00 0.00 C ATOM 2102 CG ARG A 139 -12.249 -6.429 7.125 1.00 0.00 C ATOM 2103 CD ARG A 139 -13.704 -6.277 7.536 1.00 0.00 C ATOM 2104 NE ARG A 139 -14.464 -7.506 7.321 1.00 0.00 N ATOM 2105 CZ ARG A 139 -15.793 -7.561 7.318 1.00 0.00 C ATOM 2106 NH1 ARG A 139 -16.507 -6.462 7.517 1.00 0.00 N ATOM 2107 NH2 ARG A 139 -16.408 -8.719 7.114 1.00 0.00 N ATOM 0 H ARG A 139 -9.860 -5.800 8.342 1.00 0.00 H new ATOM 0 HA ARG A 139 -9.744 -8.650 8.029 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -12.094 -8.493 7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -11.680 -7.383 8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.717 -5.496 7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -12.190 -6.620 6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -13.756 -5.998 8.588 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -14.158 -5.465 6.968 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.946 -8.371 7.164 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -16.037 -5.570 7.673 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -17.526 -6.508 7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -15.862 -9.566 6.960 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -17.427 -8.762 7.112 1.00 0.00 H new ATOM 2121 N ALA A 140 -9.621 -6.708 5.413 1.00 0.00 N ATOM 2122 CA ALA A 140 -9.391 -6.668 3.976 1.00 0.00 C ATOM 2123 C ALA A 140 -8.056 -7.318 3.625 1.00 0.00 C ATOM 2124 O ALA A 140 -7.907 -7.920 2.563 1.00 0.00 O ATOM 2125 CB ALA A 140 -9.433 -5.235 3.469 1.00 0.00 C ATOM 0 H ALA A 140 -9.559 -5.801 5.875 1.00 0.00 H new ATOM 0 HA ALA A 140 -10.186 -7.232 3.488 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -9.259 -5.224 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -10.410 -4.802 3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -8.660 -4.650 3.967 1.00 0.00 H new ATOM 2131 N ILE A 141 -7.081 -7.177 4.517 1.00 0.00 N ATOM 2132 CA ILE A 141 -5.765 -7.763 4.304 1.00 0.00 C ATOM 2133 C ILE A 141 -5.655 -9.127 4.979 1.00 0.00 C ATOM 2134 O ILE A 141 -4.671 -9.842 4.797 1.00 0.00 O ATOM 2135 CB ILE A 141 -4.644 -6.842 4.830 1.00 0.00 C ATOM 2136 CG1 ILE A 141 -4.832 -6.550 6.322 1.00 0.00 C ATOM 2137 CG2 ILE A 141 -4.614 -5.545 4.036 1.00 0.00 C ATOM 2138 CD1 ILE A 141 -4.144 -7.547 7.231 1.00 0.00 C ATOM 0 H ILE A 141 -7.178 -6.663 5.392 1.00 0.00 H new ATOM 0 HA ILE A 141 -5.643 -7.885 3.228 1.00 0.00 H new ATOM 0 HB ILE A 141 -3.691 -7.355 4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 141 -4.451 -5.552 6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 141 -5.898 -6.540 6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 141 -3.819 -4.904 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 141 -4.430 -5.766 2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 141 -5.572 -5.034 4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 141 -4.322 -7.274 8.271 1.00 0.00 H new ATOM 0 HD12 ILE A 141 -4.542 -8.545 7.044 1.00 0.00 H new ATOM 0 HD13 ILE A 141 -3.072 -7.541 7.033 1.00 0.00 H new ATOM 2150 N ASP A 142 -6.674 -9.480 5.757 1.00 0.00 N ATOM 2151 CA ASP A 142 -6.691 -10.759 6.458 1.00 0.00 C ATOM 2152 C ASP A 142 -6.961 -11.906 5.489 1.00 0.00 C ATOM 2153 O ASP A 142 -5.982 -12.504 4.994 1.00 0.00 O ATOM 2154 CB ASP A 142 -7.750 -10.748 7.562 1.00 0.00 C ATOM 2155 CG ASP A 142 -7.732 -12.014 8.394 1.00 0.00 C ATOM 2156 OD1 ASP A 142 -8.416 -12.987 8.012 1.00 0.00 O ATOM 2157 OD2 ASP A 142 -7.032 -12.034 9.429 1.00 0.00 O ATOM 2158 OXT ASP A 142 -8.148 -12.195 5.230 1.00 0.00 O ATOM 0 H ASP A 142 -7.497 -8.899 5.918 1.00 0.00 H new ATOM 0 HA ASP A 142 -5.710 -10.910 6.909 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -7.585 -9.888 8.211 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -8.736 -10.625 7.114 1.00 0.00 H new