USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 551 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 Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 ASN :FLIP amide:sc= -1.96 F(o=-2.7!,f=-2) USER MOD Single : B 17 THR OG1 : rot -50:sc= 1.27 USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 ASN : amide:sc= -0.0146 X(o=-0.015,f=-0.015) USER MOD Single : B 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0481) USER MOD Single : B 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00184) USER MOD Single : B 31 TYR OH : rot 150:sc= -0.883 USER MOD Single : B 40 MET CE :methyl -129:sc= -0.272 (180deg=-2.27!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 58 SER OG : rot 180:sc= 0.0141 USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 MET CE :methyl -144:sc= -1.96 (180deg=-2.93!) USER MOD Single : B 70 ASN : amide:sc= 0.376 K(o=0.38,f=-3.7!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot 180:sc= -0.0248 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 GLN : amide:sc= -1.05 K(o=-1,f=-1.9) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.412 -2.630 -19.008 1.00 0.00 N ATOM 112 CA GLY B 8 3.439 -3.418 -19.662 1.00 0.00 C ATOM 113 C GLY B 8 4.564 -3.707 -18.680 1.00 0.00 C ATOM 114 O GLY B 8 5.351 -4.617 -18.917 1.00 0.00 O ATOM 0 HA2 GLY B 8 3.015 -4.352 -20.030 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.827 -2.881 -20.528 1.00 0.00 H new ATOM 118 N LYS B 9 4.645 -2.946 -17.582 1.00 0.00 N ATOM 119 CA LYS B 9 5.613 -3.233 -16.540 1.00 0.00 C ATOM 120 C LYS B 9 5.050 -4.323 -15.643 1.00 0.00 C ATOM 121 O LYS B 9 3.916 -4.232 -15.171 1.00 0.00 O ATOM 122 CB LYS B 9 5.985 -1.985 -15.741 1.00 0.00 C ATOM 123 CG LYS B 9 7.087 -2.368 -14.749 1.00 0.00 C ATOM 124 CD LYS B 9 7.467 -1.205 -13.840 1.00 0.00 C ATOM 125 CE LYS B 9 8.176 -0.107 -14.629 1.00 0.00 C ATOM 126 NZ LYS B 9 8.539 1.027 -13.759 1.00 0.00 N ATOM 0 H LYS B 9 4.053 -2.135 -17.401 1.00 0.00 H new ATOM 0 HA LYS B 9 6.538 -3.580 -17.000 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.330 -1.195 -16.408 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.114 -1.598 -15.212 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.752 -3.208 -14.141 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.968 -2.702 -15.297 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.572 -0.799 -13.368 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.116 -1.561 -13.040 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.074 -0.513 -15.095 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.529 0.242 -15.434 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.019 1.757 -14.323 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.679 1.428 -13.334 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.176 0.697 -13.006 1.00 0.00 H new ATOM 140 N LEU B 10 5.854 -5.355 -15.410 1.00 0.00 N ATOM 141 CA LEU B 10 5.467 -6.492 -14.598 1.00 0.00 C ATOM 142 C LEU B 10 6.390 -6.612 -13.396 1.00 0.00 C ATOM 143 O LEU B 10 7.498 -6.084 -13.399 1.00 0.00 O ATOM 144 CB LEU B 10 5.557 -7.752 -15.452 1.00 0.00 C ATOM 145 CG LEU B 10 4.529 -7.816 -16.583 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.761 -9.131 -17.321 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.099 -7.815 -16.056 1.00 0.00 C ATOM 0 H LEU B 10 6.800 -5.422 -15.785 1.00 0.00 H new ATOM 0 HA LEU B 10 4.447 -6.360 -14.238 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.557 -7.816 -15.881 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.429 -8.623 -14.810 1.00 0.00 H new ATOM 0 HG LEU B 10 4.651 -6.943 -17.224 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.047 -9.220 -18.140 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.775 -9.150 -17.720 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.627 -9.964 -16.631 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.403 -7.861 -16.893 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.949 -8.680 -15.411 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.922 -6.903 -15.487 1.00 0.00 H new ATOM 159 N PHE B 11 5.911 -7.318 -12.373 1.00 0.00 N ATOM 160 CA PHE B 11 6.665 -7.659 -11.187 1.00 0.00 C ATOM 161 C PHE B 11 6.875 -9.167 -11.189 1.00 0.00 C ATOM 162 O PHE B 11 5.915 -9.915 -11.359 1.00 0.00 O ATOM 163 CB PHE B 11 5.892 -7.217 -9.945 1.00 0.00 C ATOM 164 CG PHE B 11 6.482 -7.777 -8.675 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.670 -7.238 -8.165 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.853 -8.844 -8.012 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.230 -7.760 -6.996 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.422 -9.372 -6.845 1.00 0.00 C ATOM 169 CZ PHE B 11 7.613 -8.831 -6.344 1.00 0.00 C ATOM 0 H PHE B 11 4.956 -7.676 -12.355 1.00 0.00 H new ATOM 0 HA PHE B 11 7.631 -7.154 -11.178 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.887 -6.128 -9.891 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.854 -7.537 -10.033 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.154 -6.418 -8.676 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.933 -9.256 -8.401 1.00 0.00 H new ATOM 0 HE1 PHE B 11 9.139 -7.336 -6.597 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.943 -10.194 -6.333 1.00 0.00 H new ATOM 0 HZ PHE B 11 8.056 -9.243 -5.450 1.00 0.00 H new ATOM 179 N ILE B 12 8.121 -9.605 -11.000 1.00 0.00 N ATOM 180 CA ILE B 12 8.487 -11.009 -11.098 1.00 0.00 C ATOM 181 C ILE B 12 9.111 -11.469 -9.781 1.00 0.00 C ATOM 182 O ILE B 12 10.334 -11.533 -9.667 1.00 0.00 O ATOM 183 CB ILE B 12 9.455 -11.217 -12.272 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.167 -10.391 -13.537 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.462 -12.701 -12.632 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.791 -10.610 -14.168 1.00 0.00 C ATOM 0 H ILE B 12 8.903 -8.990 -10.774 1.00 0.00 H new ATOM 0 HA ILE B 12 7.596 -11.608 -11.285 1.00 0.00 H new ATOM 0 HB ILE B 12 10.424 -10.860 -11.922 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.270 -9.334 -13.291 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.929 -10.621 -14.281 1.00 0.00 H new ATOM 0 HG21 ILE B 12 10.144 -12.870 -13.465 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.790 -13.283 -11.771 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.457 -13.011 -12.918 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.692 -9.980 -15.052 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.684 -11.656 -14.454 1.00 0.00 H new ATOM 0 HD13 ILE B 12 7.015 -10.350 -13.448 1.00 0.00 H new ATOM 198 N GLY B 13 8.289 -11.793 -8.778 1.00 0.00 N ATOM 199 CA GLY B 13 8.804 -12.173 -7.464 1.00 0.00 C ATOM 200 C GLY B 13 8.921 -13.688 -7.306 1.00 0.00 C ATOM 201 O GLY B 13 8.099 -14.428 -7.835 1.00 0.00 O ATOM 0 H GLY B 13 7.272 -11.799 -8.852 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.783 -11.717 -7.313 1.00 0.00 H new ATOM 0 HA3 GLY B 13 8.146 -11.778 -6.690 1.00 0.00 H new ATOM 205 N GLY B 14 9.936 -14.157 -6.574 1.00 0.00 N ATOM 206 CA GLY B 14 10.055 -15.560 -6.192 1.00 0.00 C ATOM 207 C GLY B 14 11.088 -16.297 -7.037 1.00 0.00 C ATOM 208 O GLY B 14 11.164 -17.523 -7.000 1.00 0.00 O ATOM 0 H GLY B 14 10.697 -13.571 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.333 -15.627 -5.140 1.00 0.00 H new ATOM 0 HA3 GLY B 14 9.086 -16.048 -6.297 1.00 0.00 H new ATOM 212 N LEU B 15 11.887 -15.552 -7.802 1.00 0.00 N ATOM 213 CA LEU B 15 12.867 -16.118 -8.719 1.00 0.00 C ATOM 214 C LEU B 15 13.939 -16.943 -7.999 1.00 0.00 C ATOM 215 O LEU B 15 14.062 -16.915 -6.778 1.00 0.00 O ATOM 216 CB LEU B 15 13.510 -14.988 -9.520 1.00 0.00 C ATOM 217 CG LEU B 15 12.510 -14.191 -10.362 1.00 0.00 C ATOM 218 CD1 LEU B 15 13.124 -12.853 -10.748 1.00 0.00 C ATOM 219 CD2 LEU B 15 12.224 -14.973 -11.639 1.00 0.00 C ATOM 0 H LEU B 15 11.869 -14.532 -7.800 1.00 0.00 H new ATOM 0 HA LEU B 15 12.346 -16.804 -9.387 1.00 0.00 H new ATOM 0 HB2 LEU B 15 14.017 -14.310 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU B 15 14.273 -15.407 -10.176 1.00 0.00 H new ATOM 0 HG LEU B 15 11.595 -14.028 -9.792 1.00 0.00 H new ATOM 0 HD11 LEU B 15 12.412 -12.285 -11.347 1.00 0.00 H new ATOM 0 HD12 LEU B 15 13.368 -12.291 -9.846 1.00 0.00 H new ATOM 0 HD13 LEU B 15 14.032 -13.023 -11.327 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.513 -14.420 -12.253 1.00 0.00 H new ATOM 0 HD22 LEU B 15 13.151 -15.113 -12.195 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.804 -15.946 -11.384 1.00 0.00 H new ATOM 231 N ASN B 16 14.718 -17.691 -8.786 1.00 0.00 N ATOM 232 CA ASN B 16 15.674 -18.677 -8.314 1.00 0.00 C ATOM 233 C ASN B 16 16.936 -18.091 -7.685 1.00 0.00 C ATOM 234 O ASN B 16 17.760 -18.822 -7.147 1.00 0.00 O ATOM 235 CB ASN B 16 15.984 -19.569 -9.502 1.00 0.00 C ATOM 236 CG ASN B 16 16.922 -20.724 -9.225 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.704 -21.066 -10.235 1.00 0.00 O flip ATOM 238 ND2 ASN B 16 16.947 -21.295 -8.139 1.00 0.00 N flip ATOM 0 H ASN B 16 14.694 -17.618 -9.803 1.00 0.00 H new ATOM 0 HA ASN B 16 15.233 -19.239 -7.491 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.046 -19.970 -9.887 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.416 -18.955 -10.292 1.00 0.00 H new ATOM 0 HD21 ASN B 16 16.323 -20.994 -7.390 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.591 -22.071 -7.985 1.00 0.00 H new ATOM 245 N THR B 17 17.081 -16.771 -7.757 1.00 0.00 N ATOM 246 CA THR B 17 18.284 -16.027 -7.400 1.00 0.00 C ATOM 247 C THR B 17 19.450 -16.265 -8.352 1.00 0.00 C ATOM 248 O THR B 17 20.433 -15.526 -8.318 1.00 0.00 O ATOM 249 CB THR B 17 18.726 -16.219 -5.942 1.00 0.00 C ATOM 250 OG1 THR B 17 19.535 -17.368 -5.817 1.00 0.00 O ATOM 251 CG2 THR B 17 17.543 -16.362 -4.997 1.00 0.00 C ATOM 0 H THR B 17 16.328 -16.163 -8.081 1.00 0.00 H new ATOM 0 HA THR B 17 17.983 -14.985 -7.506 1.00 0.00 H new ATOM 0 HB THR B 17 19.287 -15.326 -5.669 1.00 0.00 H new ATOM 0 HG1 THR B 17 19.094 -18.127 -6.252 1.00 0.00 H new ATOM 0 HG21 THR B 17 17.906 -16.496 -3.978 1.00 0.00 H new ATOM 0 HG22 THR B 17 16.926 -15.465 -5.048 1.00 0.00 H new ATOM 0 HG23 THR B 17 16.948 -17.228 -5.287 1.00 0.00 H new ATOM 259 N GLU B 18 19.345 -17.290 -9.196 1.00 0.00 N ATOM 260 CA GLU B 18 20.366 -17.630 -10.174 1.00 0.00 C ATOM 261 C GLU B 18 19.968 -17.066 -11.536 1.00 0.00 C ATOM 262 O GLU B 18 20.744 -17.114 -12.492 1.00 0.00 O ATOM 263 CB GLU B 18 20.536 -19.151 -10.220 1.00 0.00 C ATOM 264 CG GLU B 18 20.392 -19.803 -8.843 1.00 0.00 C ATOM 265 CD GLU B 18 21.461 -19.373 -7.835 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.338 -18.558 -8.203 1.00 0.00 O ATOM 267 OE2 GLU B 18 21.393 -19.869 -6.688 1.00 0.00 O ATOM 0 H GLU B 18 18.537 -17.913 -9.217 1.00 0.00 H new ATOM 0 HA GLU B 18 21.324 -17.191 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.795 -19.575 -10.898 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.517 -19.391 -10.630 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.409 -19.562 -8.439 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.432 -20.886 -8.959 1.00 0.00 H new ATOM 274 N THR B 19 18.745 -16.529 -11.611 1.00 0.00 N ATOM 275 CA THR B 19 18.190 -15.908 -12.801 1.00 0.00 C ATOM 276 C THR B 19 18.800 -14.526 -12.985 1.00 0.00 C ATOM 277 O THR B 19 19.116 -13.849 -12.006 1.00 0.00 O ATOM 278 CB THR B 19 16.670 -15.802 -12.640 1.00 0.00 C ATOM 279 OG1 THR B 19 16.141 -17.049 -12.253 1.00 0.00 O ATOM 280 CG2 THR B 19 15.994 -15.375 -13.937 1.00 0.00 C ATOM 0 H THR B 19 18.103 -16.518 -10.819 1.00 0.00 H new ATOM 0 HA THR B 19 18.419 -16.510 -13.680 1.00 0.00 H new ATOM 0 HB THR B 19 16.477 -15.048 -11.877 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.169 -16.974 -12.150 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.917 -15.311 -13.782 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.375 -14.400 -14.242 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.206 -16.107 -14.716 1.00 0.00 H new ATOM 288 N ASN B 20 18.961 -14.101 -14.241 1.00 0.00 N ATOM 289 CA ASN B 20 19.458 -12.776 -14.564 1.00 0.00 C ATOM 290 C ASN B 20 18.607 -12.168 -15.668 1.00 0.00 C ATOM 291 O ASN B 20 17.560 -12.695 -16.038 1.00 0.00 O ATOM 292 CB ASN B 20 20.931 -12.809 -14.989 1.00 0.00 C ATOM 293 CG ASN B 20 21.645 -14.093 -14.614 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.157 -14.238 -13.508 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.674 -15.038 -15.544 1.00 0.00 N ATOM 0 H ASN B 20 18.748 -14.673 -15.058 1.00 0.00 H new ATOM 0 HA ASN B 20 19.391 -12.161 -13.666 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.992 -12.672 -16.069 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.451 -11.967 -14.531 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.135 -15.928 -15.353 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.235 -14.875 -16.450 1.00 0.00 H new ATOM 302 N GLU B 21 19.077 -11.044 -16.198 1.00 0.00 N ATOM 303 CA GLU B 21 18.337 -10.249 -17.158 1.00 0.00 C ATOM 304 C GLU B 21 18.179 -11.005 -18.468 1.00 0.00 C ATOM 305 O GLU B 21 17.146 -10.903 -19.124 1.00 0.00 O ATOM 306 CB GLU B 21 19.077 -8.932 -17.389 1.00 0.00 C ATOM 307 CG GLU B 21 19.373 -8.235 -16.060 1.00 0.00 C ATOM 308 CD GLU B 21 20.748 -8.615 -15.516 1.00 0.00 C ATOM 309 OE1 GLU B 21 21.742 -8.017 -15.985 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.799 -9.499 -14.634 1.00 0.00 O ATOM 0 H GLU B 21 19.993 -10.659 -15.967 1.00 0.00 H new ATOM 0 HA GLU B 21 17.341 -10.043 -16.766 1.00 0.00 H new ATOM 0 HB2 GLU B 21 20.009 -9.122 -17.921 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.477 -8.278 -18.022 1.00 0.00 H new ATOM 0 HG2 GLU B 21 19.322 -7.155 -16.196 1.00 0.00 H new ATOM 0 HG3 GLU B 21 18.607 -8.501 -15.331 1.00 0.00 H new ATOM 317 N LYS B 22 19.196 -11.776 -18.854 1.00 0.00 N ATOM 318 CA LYS B 22 19.187 -12.496 -20.117 1.00 0.00 C ATOM 319 C LYS B 22 18.097 -13.566 -20.105 1.00 0.00 C ATOM 320 O LYS B 22 17.533 -13.897 -21.148 1.00 0.00 O ATOM 321 CB LYS B 22 20.583 -13.111 -20.307 1.00 0.00 C ATOM 322 CG LYS B 22 21.014 -13.248 -21.775 1.00 0.00 C ATOM 323 CD LYS B 22 20.077 -14.111 -22.620 1.00 0.00 C ATOM 324 CE LYS B 22 20.711 -14.419 -23.977 1.00 0.00 C ATOM 325 NZ LYS B 22 20.930 -13.194 -24.769 1.00 0.00 N ATOM 0 H LYS B 22 20.041 -11.915 -18.301 1.00 0.00 H new ATOM 0 HA LYS B 22 18.965 -11.827 -20.949 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.314 -12.496 -19.781 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.601 -14.096 -19.841 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.076 -12.254 -22.219 1.00 0.00 H new ATOM 0 HG3 LYS B 22 22.016 -13.676 -21.810 1.00 0.00 H new ATOM 0 HD2 LYS B 22 19.857 -15.041 -22.095 1.00 0.00 H new ATOM 0 HD3 LYS B 22 19.128 -13.594 -22.764 1.00 0.00 H new ATOM 0 HE2 LYS B 22 21.662 -14.930 -23.826 1.00 0.00 H new ATOM 0 HE3 LYS B 22 20.067 -15.101 -24.533 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 21.249 -13.451 -25.725 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 20.041 -12.659 -24.833 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 21.655 -12.607 -24.308 1.00 0.00 H new ATOM 339 N ALA B 23 17.780 -14.116 -18.933 1.00 0.00 N ATOM 340 CA ALA B 23 16.864 -15.242 -18.850 1.00 0.00 C ATOM 341 C ALA B 23 15.450 -14.704 -18.699 1.00 0.00 C ATOM 342 O ALA B 23 14.470 -15.394 -18.975 1.00 0.00 O ATOM 343 CB ALA B 23 17.255 -16.125 -17.666 1.00 0.00 C ATOM 0 H ALA B 23 18.144 -13.799 -18.035 1.00 0.00 H new ATOM 0 HA ALA B 23 16.913 -15.850 -19.753 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.570 -16.970 -17.601 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.272 -16.492 -17.806 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.202 -15.544 -16.746 1.00 0.00 H new ATOM 349 N LEU B 24 15.366 -13.450 -18.255 1.00 0.00 N ATOM 350 CA LEU B 24 14.124 -12.772 -17.991 1.00 0.00 C ATOM 351 C LEU B 24 13.628 -12.119 -19.272 1.00 0.00 C ATOM 352 O LEU B 24 12.427 -11.950 -19.460 1.00 0.00 O ATOM 353 CB LEU B 24 14.443 -11.741 -16.910 1.00 0.00 C ATOM 354 CG LEU B 24 14.151 -12.304 -15.525 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.715 -11.399 -14.437 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.642 -12.413 -15.344 1.00 0.00 C ATOM 0 H LEU B 24 16.187 -12.875 -18.068 1.00 0.00 H new ATOM 0 HA LEU B 24 13.334 -13.443 -17.654 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.491 -11.450 -16.976 1.00 0.00 H new ATOM 0 HB3 LEU B 24 13.851 -10.840 -17.074 1.00 0.00 H new ATOM 0 HG LEU B 24 14.621 -13.284 -15.441 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.492 -11.824 -13.458 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.795 -11.313 -14.558 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.262 -10.411 -14.515 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.422 -12.815 -14.355 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.191 -11.425 -15.442 1.00 0.00 H new ATOM 0 HD23 LEU B 24 12.231 -13.076 -16.105 1.00 0.00 H new ATOM 368 N GLU B 25 14.550 -11.755 -20.162 1.00 0.00 N ATOM 369 CA GLU B 25 14.164 -11.263 -21.471 1.00 0.00 C ATOM 370 C GLU B 25 13.822 -12.427 -22.385 1.00 0.00 C ATOM 371 O GLU B 25 13.037 -12.294 -23.322 1.00 0.00 O ATOM 372 CB GLU B 25 15.320 -10.490 -22.099 1.00 0.00 C ATOM 373 CG GLU B 25 15.523 -9.195 -21.335 1.00 0.00 C ATOM 374 CD GLU B 25 16.555 -8.298 -22.015 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.764 -8.557 -21.823 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.132 -7.357 -22.725 1.00 0.00 O ATOM 0 H GLU B 25 15.556 -11.793 -19.998 1.00 0.00 H new ATOM 0 HA GLU B 25 13.297 -10.613 -21.351 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.231 -11.089 -22.074 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.106 -10.279 -23.147 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.574 -8.665 -21.257 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.847 -9.418 -20.319 1.00 0.00 H new ATOM 383 N ALA B 26 14.428 -13.576 -22.097 1.00 0.00 N ATOM 384 CA ALA B 26 14.283 -14.779 -22.893 1.00 0.00 C ATOM 385 C ALA B 26 13.000 -15.524 -22.549 1.00 0.00 C ATOM 386 O ALA B 26 12.508 -16.313 -23.354 1.00 0.00 O ATOM 387 CB ALA B 26 15.486 -15.664 -22.603 1.00 0.00 C ATOM 0 H ALA B 26 15.042 -13.693 -21.291 1.00 0.00 H new ATOM 0 HA ALA B 26 14.230 -14.515 -23.949 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.411 -16.582 -23.186 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.400 -15.135 -22.873 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.509 -15.910 -21.541 1.00 0.00 H new ATOM 393 N VAL B 27 12.455 -15.276 -21.356 1.00 0.00 N ATOM 394 CA VAL B 27 11.284 -15.987 -20.869 1.00 0.00 C ATOM 395 C VAL B 27 10.017 -15.148 -20.954 1.00 0.00 C ATOM 396 O VAL B 27 8.935 -15.665 -21.224 1.00 0.00 O ATOM 397 CB VAL B 27 11.576 -16.404 -19.441 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.482 -15.240 -18.472 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.624 -17.490 -18.982 1.00 0.00 C ATOM 0 H VAL B 27 12.816 -14.578 -20.706 1.00 0.00 H new ATOM 0 HA VAL B 27 11.096 -16.858 -21.496 1.00 0.00 H new ATOM 0 HB VAL B 27 12.599 -16.781 -19.440 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.699 -15.589 -17.462 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.203 -14.473 -18.754 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.476 -14.821 -18.503 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.858 -17.768 -17.954 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.599 -17.122 -19.034 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.729 -18.362 -19.627 1.00 0.00 H new ATOM 409 N PHE B 28 10.148 -13.845 -20.723 1.00 0.00 N ATOM 410 CA PHE B 28 9.018 -12.939 -20.861 1.00 0.00 C ATOM 411 C PHE B 28 8.963 -12.347 -22.263 1.00 0.00 C ATOM 412 O PHE B 28 7.969 -11.723 -22.632 1.00 0.00 O ATOM 413 CB PHE B 28 9.057 -11.868 -19.779 1.00 0.00 C ATOM 414 CG PHE B 28 8.774 -12.421 -18.404 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.453 -12.686 -18.020 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.825 -12.679 -17.517 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.184 -13.219 -16.752 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.559 -13.224 -16.256 1.00 0.00 C ATOM 419 CZ PHE B 28 8.238 -13.488 -15.871 1.00 0.00 C ATOM 0 H PHE B 28 11.020 -13.397 -20.441 1.00 0.00 H new ATOM 0 HA PHE B 28 8.096 -13.504 -20.722 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.037 -11.391 -19.780 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.326 -11.094 -20.013 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.641 -12.479 -18.702 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.842 -12.457 -17.806 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.166 -13.422 -16.455 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.372 -13.441 -15.579 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.033 -13.899 -14.894 1.00 0.00 H new ATOM 429 N GLY B 29 10.024 -12.533 -23.054 1.00 0.00 N ATOM 430 CA GLY B 29 10.022 -12.080 -24.440 1.00 0.00 C ATOM 431 C GLY B 29 9.188 -13.021 -25.304 1.00 0.00 C ATOM 432 O GLY B 29 9.014 -12.792 -26.498 1.00 0.00 O ATOM 0 H GLY B 29 10.886 -12.990 -22.758 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.619 -11.069 -24.499 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.044 -12.038 -24.818 1.00 0.00 H new ATOM 436 N LYS B 30 8.675 -14.087 -24.682 1.00 0.00 N ATOM 437 CA LYS B 30 7.869 -15.113 -25.326 1.00 0.00 C ATOM 438 C LYS B 30 6.419 -14.670 -25.453 1.00 0.00 C ATOM 439 O LYS B 30 5.639 -15.294 -26.172 1.00 0.00 O ATOM 440 CB LYS B 30 7.966 -16.381 -24.472 1.00 0.00 C ATOM 441 CG LYS B 30 9.432 -16.779 -24.288 1.00 0.00 C ATOM 442 CD LYS B 30 9.617 -17.966 -23.339 1.00 0.00 C ATOM 443 CE LYS B 30 8.761 -19.172 -23.718 1.00 0.00 C ATOM 444 NZ LYS B 30 9.127 -19.711 -25.044 1.00 0.00 N ATOM 0 H LYS B 30 8.817 -14.259 -23.687 1.00 0.00 H new ATOM 0 HA LYS B 30 8.238 -15.298 -26.335 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.502 -16.211 -23.500 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.418 -17.193 -24.949 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.859 -17.028 -25.259 1.00 0.00 H new ATOM 0 HG3 LYS B 30 9.989 -15.924 -23.904 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.667 -18.260 -23.334 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.368 -17.655 -22.324 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.877 -19.951 -22.965 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.710 -18.885 -23.720 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.535 -20.539 -25.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 8.976 -18.981 -25.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.128 -19.993 -25.040 1.00 0.00 H new ATOM 458 N TYR B 31 6.075 -13.595 -24.746 1.00 0.00 N ATOM 459 CA TYR B 31 4.720 -13.069 -24.709 1.00 0.00 C ATOM 460 C TYR B 31 4.597 -11.719 -25.410 1.00 0.00 C ATOM 461 O TYR B 31 3.493 -11.320 -25.773 1.00 0.00 O ATOM 462 CB TYR B 31 4.310 -12.961 -23.245 1.00 0.00 C ATOM 463 CG TYR B 31 4.404 -14.278 -22.515 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.426 -15.260 -22.726 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.472 -14.518 -21.634 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.537 -16.503 -22.094 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.584 -15.759 -20.989 1.00 0.00 C ATOM 468 CZ TYR B 31 4.630 -16.766 -21.247 1.00 0.00 C ATOM 469 OH TYR B 31 4.758 -18.004 -20.691 1.00 0.00 O ATOM 0 H TYR B 31 6.737 -13.064 -24.180 1.00 0.00 H new ATOM 0 HA TYR B 31 4.057 -13.744 -25.250 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.945 -12.228 -22.747 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.287 -12.589 -23.185 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.588 -15.057 -23.376 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.207 -13.747 -21.453 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.784 -17.261 -22.256 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.395 -15.942 -20.300 1.00 0.00 H new ATOM 0 HH TYR B 31 5.707 -18.204 -20.553 1.00 0.00 H new ATOM 479 N GLY B 32 5.716 -11.013 -25.606 1.00 0.00 N ATOM 480 CA GLY B 32 5.706 -9.710 -26.247 1.00 0.00 C ATOM 481 C GLY B 32 7.101 -9.140 -26.385 1.00 0.00 C ATOM 482 O GLY B 32 8.044 -9.623 -25.764 1.00 0.00 O ATOM 0 H GLY B 32 6.643 -11.333 -25.324 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.249 -9.794 -27.233 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.089 -9.024 -25.666 1.00 0.00 H new ATOM 486 N ARG B 33 7.223 -8.099 -27.212 1.00 0.00 N ATOM 487 CA ARG B 33 8.484 -7.438 -27.413 1.00 0.00 C ATOM 488 C ARG B 33 8.807 -6.618 -26.180 1.00 0.00 C ATOM 489 O ARG B 33 8.089 -5.686 -25.830 1.00 0.00 O ATOM 490 CB ARG B 33 8.407 -6.587 -28.676 1.00 0.00 C ATOM 491 CG ARG B 33 9.804 -6.457 -29.262 1.00 0.00 C ATOM 492 CD ARG B 33 9.740 -5.685 -30.577 1.00 0.00 C ATOM 493 NE ARG B 33 11.050 -5.647 -31.235 1.00 0.00 N ATOM 494 CZ ARG B 33 11.962 -4.681 -31.072 1.00 0.00 C ATOM 495 NH1 ARG B 33 11.726 -3.632 -30.290 1.00 0.00 N ATOM 496 NH2 ARG B 33 13.131 -4.762 -31.704 1.00 0.00 N ATOM 0 H ARG B 33 6.451 -7.705 -27.749 1.00 0.00 H new ATOM 0 HA ARG B 33 9.289 -8.159 -27.554 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.735 -7.046 -29.401 1.00 0.00 H new ATOM 0 HB3 ARG B 33 8.001 -5.602 -28.444 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.458 -5.942 -28.558 1.00 0.00 H new ATOM 0 HG3 ARG B 33 10.232 -7.445 -29.430 1.00 0.00 H new ATOM 0 HD2 ARG B 33 9.011 -6.151 -31.240 1.00 0.00 H new ATOM 0 HD3 ARG B 33 9.395 -4.668 -30.388 1.00 0.00 H new ATOM 0 HE ARG B 33 11.284 -6.415 -31.864 1.00 0.00 H new ATOM 0 HH11 ARG B 33 10.835 -3.552 -29.800 1.00 0.00 H new ATOM 0 HH12 ARG B 33 12.436 -2.908 -30.180 1.00 0.00 H new ATOM 0 HH21 ARG B 33 13.329 -5.558 -32.310 1.00 0.00 H new ATOM 0 HH22 ARG B 33 13.829 -4.028 -31.582 1.00 0.00 H new ATOM 510 N ILE B 34 9.901 -6.982 -25.523 1.00 0.00 N ATOM 511 CA ILE B 34 10.377 -6.285 -24.344 1.00 0.00 C ATOM 512 C ILE B 34 11.048 -4.973 -24.741 1.00 0.00 C ATOM 513 O ILE B 34 11.784 -4.921 -25.726 1.00 0.00 O ATOM 514 CB ILE B 34 11.313 -7.214 -23.567 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.472 -8.379 -23.028 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.008 -6.466 -22.428 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.270 -9.323 -22.125 1.00 0.00 C ATOM 0 H ILE B 34 10.483 -7.773 -25.798 1.00 0.00 H new ATOM 0 HA ILE B 34 9.544 -6.022 -23.692 1.00 0.00 H new ATOM 0 HB ILE B 34 12.099 -7.589 -24.223 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.625 -7.981 -22.470 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.064 -8.944 -23.866 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.667 -7.150 -21.893 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.594 -5.643 -22.837 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.259 -6.072 -21.741 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.622 -10.126 -21.775 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.102 -9.747 -22.687 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.655 -8.769 -21.269 1.00 0.00 H new ATOM 529 N VAL B 35 10.791 -3.914 -23.966 1.00 0.00 N ATOM 530 CA VAL B 35 11.404 -2.610 -24.178 1.00 0.00 C ATOM 531 C VAL B 35 12.446 -2.346 -23.098 1.00 0.00 C ATOM 532 O VAL B 35 13.381 -1.576 -23.310 1.00 0.00 O ATOM 533 CB VAL B 35 10.356 -1.483 -24.176 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.457 -0.701 -25.482 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.912 -1.974 -24.019 1.00 0.00 C ATOM 0 H VAL B 35 10.150 -3.943 -23.173 1.00 0.00 H new ATOM 0 HA VAL B 35 11.882 -2.622 -25.157 1.00 0.00 H new ATOM 0 HB VAL B 35 10.580 -0.862 -23.308 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.716 0.099 -25.485 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.455 -0.272 -25.573 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.272 -1.370 -26.322 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.234 -1.120 -24.027 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.663 -2.642 -24.843 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.810 -2.509 -23.075 1.00 0.00 H new ATOM 545 N GLU B 36 12.289 -2.990 -21.937 1.00 0.00 N ATOM 546 CA GLU B 36 13.213 -2.854 -20.823 1.00 0.00 C ATOM 547 C GLU B 36 13.047 -4.036 -19.875 1.00 0.00 C ATOM 548 O GLU B 36 11.962 -4.600 -19.772 1.00 0.00 O ATOM 549 CB GLU B 36 12.915 -1.538 -20.097 1.00 0.00 C ATOM 550 CG GLU B 36 13.835 -1.340 -18.893 1.00 0.00 C ATOM 551 CD GLU B 36 13.674 0.061 -18.305 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.354 0.981 -18.811 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.873 0.202 -17.353 1.00 0.00 O ATOM 0 H GLU B 36 11.511 -3.622 -21.750 1.00 0.00 H new ATOM 0 HA GLU B 36 14.241 -2.843 -21.184 1.00 0.00 H new ATOM 0 HB2 GLU B 36 13.036 -0.704 -20.789 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.876 -1.531 -19.767 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.609 -2.086 -18.131 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.871 -1.495 -19.193 1.00 0.00 H new ATOM 560 N VAL B 37 14.122 -4.414 -19.177 1.00 0.00 N ATOM 561 CA VAL B 37 14.051 -5.427 -18.135 1.00 0.00 C ATOM 562 C VAL B 37 14.855 -4.973 -16.928 1.00 0.00 C ATOM 563 O VAL B 37 15.887 -4.315 -17.057 1.00 0.00 O ATOM 564 CB VAL B 37 14.500 -6.806 -18.648 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.191 -7.653 -17.575 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.267 -7.584 -19.090 1.00 0.00 C ATOM 0 H VAL B 37 15.055 -4.027 -19.321 1.00 0.00 H new ATOM 0 HA VAL B 37 13.011 -5.545 -17.830 1.00 0.00 H new ATOM 0 HB VAL B 37 15.207 -6.624 -19.457 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.483 -8.613 -18.001 1.00 0.00 H new ATOM 0 HG12 VAL B 37 16.078 -7.131 -17.215 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.505 -7.818 -16.744 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.568 -8.565 -19.457 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.590 -7.705 -18.244 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.759 -7.039 -19.886 1.00 0.00 H new ATOM 576 N LEU B 38 14.353 -5.347 -15.754 1.00 0.00 N ATOM 577 CA LEU B 38 15.001 -5.099 -14.475 1.00 0.00 C ATOM 578 C LEU B 38 15.283 -6.436 -13.830 1.00 0.00 C ATOM 579 O LEU B 38 14.593 -7.421 -14.084 1.00 0.00 O ATOM 580 CB LEU B 38 14.063 -4.296 -13.586 1.00 0.00 C ATOM 581 CG LEU B 38 14.355 -2.796 -13.594 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.277 -2.071 -12.800 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.697 -2.478 -12.945 1.00 0.00 C ATOM 0 H LEU B 38 13.465 -5.841 -15.667 1.00 0.00 H new ATOM 0 HA LEU B 38 15.927 -4.541 -14.615 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.036 -4.460 -13.912 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.136 -4.667 -12.564 1.00 0.00 H new ATOM 0 HG LEU B 38 14.375 -2.472 -14.634 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.481 -1.000 -12.803 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.304 -2.256 -13.255 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.273 -2.437 -11.773 1.00 0.00 H new ATOM 0 HD21 LEU B 38 15.868 -1.402 -12.971 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.691 -2.820 -11.910 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.494 -2.985 -13.490 1.00 0.00 H new ATOM 595 N LEU B 39 16.309 -6.466 -12.990 1.00 0.00 N ATOM 596 CA LEU B 39 16.602 -7.626 -12.195 1.00 0.00 C ATOM 597 C LEU B 39 17.294 -7.105 -10.950 1.00 0.00 C ATOM 598 O LEU B 39 18.370 -6.511 -11.031 1.00 0.00 O ATOM 599 CB LEU B 39 17.473 -8.557 -13.036 1.00 0.00 C ATOM 600 CG LEU B 39 17.938 -9.856 -12.375 1.00 0.00 C ATOM 601 CD1 LEU B 39 19.195 -9.636 -11.545 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.863 -10.518 -11.525 1.00 0.00 C ATOM 0 H LEU B 39 16.951 -5.686 -12.849 1.00 0.00 H new ATOM 0 HA LEU B 39 15.727 -8.202 -11.894 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.920 -8.815 -13.939 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.356 -8.002 -13.351 1.00 0.00 H new ATOM 0 HG LEU B 39 18.163 -10.538 -13.195 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.499 -10.578 -11.089 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.995 -9.269 -12.187 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.992 -8.904 -10.764 1.00 0.00 H new ATOM 0 HD21 LEU B 39 17.259 -11.434 -11.086 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.557 -9.837 -10.731 1.00 0.00 H new ATOM 0 HD23 LEU B 39 16.002 -10.758 -12.149 1.00 0.00 H new ATOM 614 N MET B 40 16.670 -7.323 -9.794 1.00 0.00 N ATOM 615 CA MET B 40 17.131 -6.685 -8.578 1.00 0.00 C ATOM 616 C MET B 40 18.119 -7.598 -7.878 1.00 0.00 C ATOM 617 O MET B 40 17.902 -8.807 -7.847 1.00 0.00 O ATOM 618 CB MET B 40 15.946 -6.330 -7.671 1.00 0.00 C ATOM 619 CG MET B 40 14.763 -5.684 -8.405 1.00 0.00 C ATOM 620 SD MET B 40 15.132 -4.717 -9.894 1.00 0.00 S ATOM 621 CE MET B 40 16.248 -3.449 -9.244 1.00 0.00 C ATOM 0 H MET B 40 15.857 -7.928 -9.681 1.00 0.00 H new ATOM 0 HA MET B 40 17.637 -5.751 -8.824 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.600 -7.236 -7.174 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.290 -5.650 -6.892 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.066 -6.475 -8.681 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.244 -5.033 -7.701 1.00 0.00 H new ATOM 0 HE1 MET B 40 15.898 -2.464 -9.552 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.266 -3.504 -8.156 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.253 -3.615 -9.632 1.00 0.00 H new ATOM 631 N LYS B 41 19.195 -7.037 -7.317 1.00 0.00 N ATOM 632 CA LYS B 41 20.169 -7.834 -6.584 1.00 0.00 C ATOM 633 C LYS B 41 20.775 -7.084 -5.403 1.00 0.00 C ATOM 634 O LYS B 41 20.864 -5.858 -5.402 1.00 0.00 O ATOM 635 CB LYS B 41 21.264 -8.393 -7.501 1.00 0.00 C ATOM 636 CG LYS B 41 21.322 -7.745 -8.879 1.00 0.00 C ATOM 637 CD LYS B 41 22.511 -8.312 -9.657 1.00 0.00 C ATOM 638 CE LYS B 41 22.568 -7.669 -11.040 1.00 0.00 C ATOM 639 NZ LYS B 41 23.659 -8.239 -11.855 1.00 0.00 N ATOM 0 H LYS B 41 19.408 -6.040 -7.359 1.00 0.00 H new ATOM 0 HA LYS B 41 19.615 -8.679 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.230 -8.266 -7.012 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.107 -9.465 -7.623 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.395 -7.934 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS B 41 21.420 -6.664 -8.781 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.438 -8.120 -9.116 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.415 -9.394 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.616 -7.815 -11.550 1.00 0.00 H new ATOM 0 HE3 LYS B 41 22.712 -6.594 -10.937 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.671 -7.781 -12.789 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.569 -8.077 -11.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.507 -9.261 -11.973 1.00 0.00 H new ATOM 765 N ARG B 49 17.596 -10.238 -5.486 1.00 0.00 N ATOM 766 CA ARG B 49 16.742 -10.006 -4.333 1.00 0.00 C ATOM 767 C ARG B 49 15.617 -11.039 -4.335 1.00 0.00 C ATOM 768 O ARG B 49 14.821 -11.095 -3.399 1.00 0.00 O ATOM 769 CB ARG B 49 16.148 -8.603 -4.448 1.00 0.00 C ATOM 770 CG ARG B 49 17.201 -7.496 -4.506 1.00 0.00 C ATOM 771 CD ARG B 49 17.680 -7.050 -3.131 1.00 0.00 C ATOM 772 NE ARG B 49 16.629 -6.321 -2.409 1.00 0.00 N ATOM 773 CZ ARG B 49 16.362 -5.029 -2.610 1.00 0.00 C ATOM 774 NH1 ARG B 49 17.067 -4.330 -3.494 1.00 0.00 N ATOM 775 NH2 ARG B 49 15.387 -4.434 -1.928 1.00 0.00 N ATOM 0 HA ARG B 49 17.313 -10.093 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.529 -8.552 -5.344 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.492 -8.424 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.055 -7.846 -5.085 1.00 0.00 H new ATOM 0 HG3 ARG B 49 16.787 -6.638 -5.035 1.00 0.00 H new ATOM 0 HD2 ARG B 49 17.986 -7.920 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG B 49 18.558 -6.414 -3.239 1.00 0.00 H new ATOM 0 HE ARG B 49 16.075 -6.828 -1.719 1.00 0.00 H new ATOM 0 HH11 ARG B 49 17.815 -4.781 -4.021 1.00 0.00 H new ATOM 0 HH12 ARG B 49 16.860 -3.343 -3.645 1.00 0.00 H new ATOM 0 HH21 ARG B 49 14.841 -4.965 -1.250 1.00 0.00 H new ATOM 0 HH22 ARG B 49 15.185 -3.446 -2.084 1.00 0.00 H new ATOM 789 N GLY B 50 15.562 -11.851 -5.397 1.00 0.00 N ATOM 790 CA GLY B 50 14.524 -12.841 -5.611 1.00 0.00 C ATOM 791 C GLY B 50 13.341 -12.231 -6.351 1.00 0.00 C ATOM 792 O GLY B 50 12.356 -12.924 -6.586 1.00 0.00 O ATOM 0 H GLY B 50 16.258 -11.830 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.925 -13.677 -6.183 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.193 -13.240 -4.652 1.00 0.00 H new ATOM 796 N PHE B 51 13.419 -10.947 -6.721 1.00 0.00 N ATOM 797 CA PHE B 51 12.362 -10.310 -7.488 1.00 0.00 C ATOM 798 C PHE B 51 12.947 -9.434 -8.592 1.00 0.00 C ATOM 799 O PHE B 51 14.097 -9.000 -8.513 1.00 0.00 O ATOM 800 CB PHE B 51 11.415 -9.544 -6.563 1.00 0.00 C ATOM 801 CG PHE B 51 11.969 -8.258 -5.990 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.785 -8.274 -4.848 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.649 -7.033 -6.594 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.284 -7.072 -4.321 1.00 0.00 C ATOM 805 CE2 PHE B 51 12.125 -5.833 -6.048 1.00 0.00 C ATOM 806 CZ PHE B 51 12.959 -5.855 -4.926 1.00 0.00 C ATOM 0 H PHE B 51 14.205 -10.336 -6.498 1.00 0.00 H new ATOM 0 HA PHE B 51 11.768 -11.079 -7.982 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.503 -9.314 -7.114 1.00 0.00 H new ATOM 0 HB3 PHE B 51 11.132 -10.198 -5.738 1.00 0.00 H new ATOM 0 HD1 PHE B 51 13.030 -9.213 -4.374 1.00 0.00 H new ATOM 0 HD2 PHE B 51 11.034 -7.014 -7.482 1.00 0.00 H new ATOM 0 HE1 PHE B 51 13.919 -7.088 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.847 -4.890 -6.495 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.352 -4.932 -4.527 1.00 0.00 H new ATOM 816 N ALA B 52 12.145 -9.173 -9.622 1.00 0.00 N ATOM 817 CA ALA B 52 12.574 -8.435 -10.797 1.00 0.00 C ATOM 818 C ALA B 52 11.385 -7.742 -11.461 1.00 0.00 C ATOM 819 O ALA B 52 10.257 -7.845 -10.980 1.00 0.00 O ATOM 820 CB ALA B 52 13.215 -9.432 -11.762 1.00 0.00 C ATOM 0 H ALA B 52 11.171 -9.473 -9.660 1.00 0.00 H new ATOM 0 HA ALA B 52 13.289 -7.662 -10.516 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.549 -8.908 -12.658 1.00 0.00 H new ATOM 0 HB2 ALA B 52 14.069 -9.907 -11.280 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.485 -10.193 -12.038 1.00 0.00 H new ATOM 826 N PHE B 53 11.638 -7.039 -12.567 1.00 0.00 N ATOM 827 CA PHE B 53 10.596 -6.358 -13.324 1.00 0.00 C ATOM 828 C PHE B 53 10.889 -6.463 -14.815 1.00 0.00 C ATOM 829 O PHE B 53 12.015 -6.753 -15.215 1.00 0.00 O ATOM 830 CB PHE B 53 10.488 -4.890 -12.897 1.00 0.00 C ATOM 831 CG PHE B 53 10.241 -4.667 -11.429 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.302 -4.787 -10.523 1.00 0.00 C ATOM 833 CD2 PHE B 53 8.959 -4.332 -10.971 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.080 -4.601 -9.157 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.733 -4.146 -9.602 1.00 0.00 C ATOM 836 CZ PHE B 53 9.793 -4.289 -8.692 1.00 0.00 C ATOM 0 H PHE B 53 12.573 -6.928 -12.960 1.00 0.00 H new ATOM 0 HA PHE B 53 9.640 -6.839 -13.118 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.409 -4.378 -13.176 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.680 -4.423 -13.460 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.293 -5.024 -10.881 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.147 -4.218 -11.673 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.898 -4.697 -8.459 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.745 -3.893 -9.246 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.618 -4.159 -7.634 1.00 0.00 H new ATOM 846 N VAL B 54 9.877 -6.227 -15.650 1.00 0.00 N ATOM 847 CA VAL B 54 10.026 -6.265 -17.100 1.00 0.00 C ATOM 848 C VAL B 54 8.990 -5.352 -17.733 1.00 0.00 C ATOM 849 O VAL B 54 7.845 -5.334 -17.294 1.00 0.00 O ATOM 850 CB VAL B 54 9.869 -7.699 -17.615 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.642 -8.389 -17.086 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.853 -7.767 -19.142 1.00 0.00 C ATOM 0 H VAL B 54 8.932 -6.004 -15.338 1.00 0.00 H new ATOM 0 HA VAL B 54 11.023 -5.918 -17.371 1.00 0.00 H new ATOM 0 HB VAL B 54 10.747 -8.224 -17.238 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.591 -9.400 -17.489 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.691 -8.434 -15.998 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.754 -7.833 -17.387 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.740 -8.804 -19.459 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.019 -7.178 -19.524 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.789 -7.368 -19.534 1.00 0.00 H new ATOM 862 N THR B 55 9.384 -4.597 -18.761 1.00 0.00 N ATOM 863 CA THR B 55 8.481 -3.709 -19.474 1.00 0.00 C ATOM 864 C THR B 55 8.253 -4.225 -20.888 1.00 0.00 C ATOM 865 O THR B 55 9.199 -4.391 -21.654 1.00 0.00 O ATOM 866 CB THR B 55 9.021 -2.279 -19.501 1.00 0.00 C ATOM 867 OG1 THR B 55 9.269 -1.839 -18.183 1.00 0.00 O ATOM 868 CG2 THR B 55 7.982 -1.352 -20.133 1.00 0.00 C ATOM 0 H THR B 55 10.340 -4.589 -19.118 1.00 0.00 H new ATOM 0 HA THR B 55 7.527 -3.692 -18.947 1.00 0.00 H new ATOM 0 HB THR B 55 9.944 -2.260 -20.081 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.617 -0.923 -18.204 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.368 -0.333 -20.152 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.773 -1.680 -21.151 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.064 -1.382 -19.547 1.00 0.00 H new ATOM 876 N PHE B 56 6.986 -4.474 -21.219 1.00 0.00 N ATOM 877 CA PHE B 56 6.566 -4.905 -22.539 1.00 0.00 C ATOM 878 C PHE B 56 6.190 -3.719 -23.425 1.00 0.00 C ATOM 879 O PHE B 56 5.833 -2.652 -22.928 1.00 0.00 O ATOM 880 CB PHE B 56 5.363 -5.828 -22.389 1.00 0.00 C ATOM 881 CG PHE B 56 5.685 -7.196 -21.845 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.202 -7.372 -20.550 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.464 -8.304 -22.667 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.483 -8.663 -20.081 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.727 -9.590 -22.193 1.00 0.00 C ATOM 886 CZ PHE B 56 6.222 -9.773 -20.896 1.00 0.00 C ATOM 0 H PHE B 56 6.213 -4.378 -20.560 1.00 0.00 H new ATOM 0 HA PHE B 56 7.397 -5.426 -23.016 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.636 -5.352 -21.731 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.885 -5.942 -23.362 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.382 -6.515 -19.918 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.089 -8.165 -23.670 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.900 -8.802 -19.094 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.548 -10.445 -22.828 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.403 -10.770 -20.523 1.00 0.00 H new ATOM 896 N GLU B 57 6.266 -3.907 -24.746 1.00 0.00 N ATOM 897 CA GLU B 57 5.840 -2.910 -25.708 1.00 0.00 C ATOM 898 C GLU B 57 4.316 -2.812 -25.759 1.00 0.00 C ATOM 899 O GLU B 57 3.794 -1.779 -26.177 1.00 0.00 O ATOM 900 CB GLU B 57 6.380 -3.292 -27.083 1.00 0.00 C ATOM 901 CG GLU B 57 7.813 -2.792 -27.270 1.00 0.00 C ATOM 902 CD GLU B 57 8.284 -2.874 -28.720 1.00 0.00 C ATOM 903 OE1 GLU B 57 7.423 -3.004 -29.619 1.00 0.00 O ATOM 904 OE2 GLU B 57 9.515 -2.804 -28.921 1.00 0.00 O ATOM 0 H GLU B 57 6.627 -4.761 -25.170 1.00 0.00 H new ATOM 0 HA GLU B 57 6.229 -1.937 -25.407 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.351 -4.375 -27.200 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.740 -2.870 -27.858 1.00 0.00 H new ATOM 0 HG2 GLU B 57 7.880 -1.759 -26.929 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.483 -3.379 -26.642 1.00 0.00 H new ATOM 911 N SER B 58 3.598 -3.861 -25.343 1.00 0.00 N ATOM 912 CA SER B 58 2.146 -3.802 -25.242 1.00 0.00 C ATOM 913 C SER B 58 1.730 -4.105 -23.812 1.00 0.00 C ATOM 914 O SER B 58 2.302 -4.988 -23.173 1.00 0.00 O ATOM 915 CB SER B 58 1.522 -4.781 -26.234 1.00 0.00 C ATOM 916 OG SER B 58 0.135 -4.885 -26.009 1.00 0.00 O ATOM 0 H SER B 58 4.003 -4.757 -25.073 1.00 0.00 H new ATOM 0 HA SER B 58 1.790 -2.803 -25.494 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.708 -4.444 -27.254 1.00 0.00 H new ATOM 0 HB3 SER B 58 1.989 -5.761 -26.132 1.00 0.00 H new ATOM 0 HG SER B 58 -0.254 -5.514 -26.652 1.00 0.00 H new ATOM 922 N PRO B 59 0.731 -3.382 -23.297 1.00 0.00 N ATOM 923 CA PRO B 59 0.253 -3.555 -21.943 1.00 0.00 C ATOM 924 C PRO B 59 -0.571 -4.829 -21.828 1.00 0.00 C ATOM 925 O PRO B 59 -1.011 -5.157 -20.732 1.00 0.00 O ATOM 926 CB PRO B 59 -0.621 -2.335 -21.675 1.00 0.00 C ATOM 927 CG PRO B 59 -1.230 -2.098 -23.048 1.00 0.00 C ATOM 928 CD PRO B 59 -0.036 -2.348 -23.969 1.00 0.00 C ATOM 0 HA PRO B 59 1.071 -3.641 -21.228 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.379 -2.531 -20.917 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.039 -1.480 -21.330 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.054 -2.781 -23.253 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.622 -1.086 -23.152 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.359 -2.673 -24.958 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.555 -1.443 -24.108 1.00 0.00 H new ATOM 936 N ALA B 60 -0.782 -5.538 -22.943 1.00 0.00 N ATOM 937 CA ALA B 60 -1.570 -6.757 -22.950 1.00 0.00 C ATOM 938 C ALA B 60 -0.719 -7.964 -23.331 1.00 0.00 C ATOM 939 O ALA B 60 -1.134 -9.101 -23.124 1.00 0.00 O ATOM 940 CB ALA B 60 -2.773 -6.577 -23.871 1.00 0.00 C ATOM 0 H ALA B 60 -0.410 -5.278 -23.856 1.00 0.00 H new ATOM 0 HA ALA B 60 -1.940 -6.954 -21.944 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.366 -7.491 -23.878 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.385 -5.750 -23.512 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.428 -6.361 -24.882 1.00 0.00 H new ATOM 946 N ASP B 61 0.476 -7.728 -23.884 1.00 0.00 N ATOM 947 CA ASP B 61 1.435 -8.802 -24.052 1.00 0.00 C ATOM 948 C ASP B 61 1.964 -9.164 -22.667 1.00 0.00 C ATOM 949 O ASP B 61 2.347 -10.304 -22.412 1.00 0.00 O ATOM 950 CB ASP B 61 2.580 -8.334 -24.948 1.00 0.00 C ATOM 951 CG ASP B 61 2.191 -8.200 -26.421 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.030 -8.520 -26.762 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.073 -7.774 -27.200 1.00 0.00 O ATOM 0 H ASP B 61 0.790 -6.816 -24.215 1.00 0.00 H new ATOM 0 HA ASP B 61 0.969 -9.670 -24.520 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.942 -7.371 -24.588 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.408 -9.038 -24.862 1.00 0.00 H new ATOM 958 N ALA B 62 1.978 -8.173 -21.770 1.00 0.00 N ATOM 959 CA ALA B 62 2.356 -8.366 -20.388 1.00 0.00 C ATOM 960 C ALA B 62 1.228 -9.036 -19.615 1.00 0.00 C ATOM 961 O ALA B 62 1.494 -9.778 -18.672 1.00 0.00 O ATOM 962 CB ALA B 62 2.675 -7.002 -19.783 1.00 0.00 C ATOM 0 H ALA B 62 1.724 -7.211 -21.996 1.00 0.00 H new ATOM 0 HA ALA B 62 3.231 -9.014 -20.331 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.963 -7.125 -18.739 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.496 -6.543 -20.334 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.795 -6.362 -19.843 1.00 0.00 H new ATOM 968 N LYS B 63 -0.028 -8.791 -20.002 1.00 0.00 N ATOM 969 CA LYS B 63 -1.162 -9.452 -19.377 1.00 0.00 C ATOM 970 C LYS B 63 -1.145 -10.923 -19.746 1.00 0.00 C ATOM 971 O LYS B 63 -1.449 -11.771 -18.915 1.00 0.00 O ATOM 972 CB LYS B 63 -2.475 -8.834 -19.856 1.00 0.00 C ATOM 973 CG LYS B 63 -2.659 -7.426 -19.294 1.00 0.00 C ATOM 974 CD LYS B 63 -3.878 -6.725 -19.895 1.00 0.00 C ATOM 975 CE LYS B 63 -5.147 -7.525 -19.595 1.00 0.00 C ATOM 976 NZ LYS B 63 -6.339 -6.869 -20.173 1.00 0.00 N ATOM 0 H LYS B 63 -0.278 -8.139 -20.745 1.00 0.00 H new ATOM 0 HA LYS B 63 -1.088 -9.331 -18.296 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.487 -8.798 -20.945 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.310 -9.463 -19.548 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.769 -7.479 -18.211 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.765 -6.835 -19.495 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -3.968 -5.719 -19.485 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.752 -6.620 -20.973 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.050 -8.532 -20.000 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.271 -7.626 -18.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -7.185 -7.432 -19.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -6.443 -5.917 -19.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -6.229 -6.795 -21.205 1.00 0.00 H new ATOM 990 N ASP B 64 -0.787 -11.233 -20.992 1.00 0.00 N ATOM 991 CA ASP B 64 -0.776 -12.606 -21.456 1.00 0.00 C ATOM 992 C ASP B 64 0.322 -13.391 -20.755 1.00 0.00 C ATOM 993 O ASP B 64 0.165 -14.584 -20.509 1.00 0.00 O ATOM 994 CB ASP B 64 -0.541 -12.596 -22.965 1.00 0.00 C ATOM 995 CG ASP B 64 -0.783 -13.972 -23.580 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.940 -14.440 -23.502 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.186 -14.545 -24.125 1.00 0.00 O ATOM 0 H ASP B 64 -0.502 -10.548 -21.692 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.728 -13.086 -21.229 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.203 -11.867 -23.432 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.481 -12.278 -23.173 1.00 0.00 H new ATOM 1002 N ALA B 65 1.428 -12.720 -20.429 1.00 0.00 N ATOM 1003 CA ALA B 65 2.492 -13.340 -19.656 1.00 0.00 C ATOM 1004 C ALA B 65 2.072 -13.453 -18.194 1.00 0.00 C ATOM 1005 O ALA B 65 2.270 -14.490 -17.567 1.00 0.00 O ATOM 1006 CB ALA B 65 3.762 -12.499 -19.769 1.00 0.00 C ATOM 0 H ALA B 65 1.605 -11.750 -20.690 1.00 0.00 H new ATOM 0 HA ALA B 65 2.686 -14.339 -20.046 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.559 -12.964 -19.189 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.064 -12.434 -20.814 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.571 -11.497 -19.384 1.00 0.00 H new ATOM 1012 N ALA B 66 1.488 -12.388 -17.644 1.00 0.00 N ATOM 1013 CA ALA B 66 1.079 -12.361 -16.251 1.00 0.00 C ATOM 1014 C ALA B 66 -0.129 -13.271 -16.005 1.00 0.00 C ATOM 1015 O ALA B 66 -0.529 -13.483 -14.862 1.00 0.00 O ATOM 1016 CB ALA B 66 0.794 -10.912 -15.865 1.00 0.00 C ATOM 0 H ALA B 66 1.289 -11.527 -18.153 1.00 0.00 H new ATOM 0 HA ALA B 66 1.879 -12.750 -15.621 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.485 -10.868 -14.821 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.696 -10.315 -16.002 1.00 0.00 H new ATOM 0 HB3 ALA B 66 -0.002 -10.517 -16.496 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.703 -13.809 -17.087 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.781 -14.789 -17.039 1.00 0.00 C ATOM 1024 C ARG B 67 -1.294 -16.197 -17.386 1.00 0.00 C ATOM 1025 O ARG B 67 -2.111 -17.110 -17.484 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.887 -14.352 -17.998 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.598 -13.110 -17.451 1.00 0.00 C ATOM 1028 CD ARG B 67 -4.503 -12.473 -18.504 1.00 0.00 C ATOM 1029 NE ARG B 67 -5.560 -13.396 -18.930 1.00 0.00 N ATOM 1030 CZ ARG B 67 -6.256 -13.275 -20.064 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -6.022 -12.268 -20.902 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -7.196 -14.168 -20.364 1.00 0.00 N ATOM 0 H ARG B 67 -0.422 -13.567 -18.037 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.165 -14.833 -16.020 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.464 -14.136 -18.979 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.604 -15.162 -18.132 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.191 -13.384 -16.578 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -2.858 -12.383 -17.118 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -4.951 -11.566 -18.100 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.907 -12.177 -19.367 1.00 0.00 H new ATOM 0 HE ARG B 67 -5.779 -14.183 -18.319 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -5.304 -11.577 -20.682 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -6.560 -12.187 -21.765 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -7.384 -14.943 -19.729 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -7.728 -14.077 -21.229 1.00 0.00 H new ATOM 1046 N ASP B 68 0.014 -16.398 -17.577 1.00 0.00 N ATOM 1047 CA ASP B 68 0.549 -17.672 -18.002 1.00 0.00 C ATOM 1048 C ASP B 68 1.663 -18.092 -17.063 1.00 0.00 C ATOM 1049 O ASP B 68 1.664 -19.186 -16.507 1.00 0.00 O ATOM 1050 CB ASP B 68 1.167 -17.468 -19.377 1.00 0.00 C ATOM 1051 CG ASP B 68 0.291 -18.026 -20.496 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -0.904 -17.657 -20.549 1.00 0.00 O ATOM 1053 OD2 ASP B 68 0.824 -18.825 -21.298 1.00 0.00 O ATOM 0 H ASP B 68 0.721 -15.676 -17.438 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.238 -18.426 -18.012 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.332 -16.404 -19.544 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.144 -17.950 -19.409 1.00 0.00 H new ATOM 1058 N MET B 69 2.609 -17.169 -16.905 1.00 0.00 N ATOM 1059 CA MET B 69 3.814 -17.327 -16.128 1.00 0.00 C ATOM 1060 C MET B 69 3.578 -17.081 -14.643 1.00 0.00 C ATOM 1061 O MET B 69 4.452 -17.354 -13.821 1.00 0.00 O ATOM 1062 CB MET B 69 4.800 -16.316 -16.701 1.00 0.00 C ATOM 1063 CG MET B 69 5.691 -16.937 -17.769 1.00 0.00 C ATOM 1064 SD MET B 69 6.692 -18.352 -17.240 1.00 0.00 S ATOM 1065 CE MET B 69 7.567 -17.527 -15.898 1.00 0.00 C ATOM 0 H MET B 69 2.543 -16.249 -17.341 1.00 0.00 H new ATOM 0 HA MET B 69 4.189 -18.348 -16.194 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.252 -15.476 -17.128 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.420 -15.917 -15.898 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.062 -17.253 -18.601 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.360 -16.166 -18.150 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.590 -17.900 -15.847 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.581 -16.452 -16.079 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.060 -17.729 -14.955 1.00 0.00 H new ATOM 1075 N ASN B 70 2.404 -16.566 -14.271 1.00 0.00 N ATOM 1076 CA ASN B 70 2.097 -16.332 -12.872 1.00 0.00 C ATOM 1077 C ASN B 70 1.819 -17.665 -12.185 1.00 0.00 C ATOM 1078 O ASN B 70 0.977 -18.438 -12.641 1.00 0.00 O ATOM 1079 CB ASN B 70 0.910 -15.377 -12.767 1.00 0.00 C ATOM 1080 CG ASN B 70 0.597 -15.002 -11.325 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.426 -15.186 -10.438 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.599 -14.476 -11.084 1.00 0.00 N ATOM 0 H ASN B 70 1.660 -16.307 -14.919 1.00 0.00 H new ATOM 0 HA ASN B 70 2.945 -15.868 -12.368 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.122 -14.473 -13.338 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.033 -15.840 -13.218 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.857 -14.209 -10.134 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.260 -14.339 -11.849 1.00 0.00 H new ATOM 1089 N GLY B 71 2.527 -17.932 -11.088 1.00 0.00 N ATOM 1090 CA GLY B 71 2.361 -19.153 -10.315 1.00 0.00 C ATOM 1091 C GLY B 71 3.226 -20.290 -10.854 1.00 0.00 C ATOM 1092 O GLY B 71 3.302 -21.350 -10.233 1.00 0.00 O ATOM 0 H GLY B 71 3.235 -17.301 -10.712 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.621 -18.962 -9.274 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.314 -19.454 -10.332 1.00 0.00 H new ATOM 1096 N LYS B 72 3.878 -20.076 -12.002 1.00 0.00 N ATOM 1097 CA LYS B 72 4.825 -20.993 -12.585 1.00 0.00 C ATOM 1098 C LYS B 72 6.174 -20.817 -11.912 1.00 0.00 C ATOM 1099 O LYS B 72 6.251 -20.390 -10.764 1.00 0.00 O ATOM 1100 CB LYS B 72 4.926 -20.681 -14.069 1.00 0.00 C ATOM 1101 CG LYS B 72 3.566 -20.692 -14.776 1.00 0.00 C ATOM 1102 CD LYS B 72 2.860 -22.039 -14.616 1.00 0.00 C ATOM 1103 CE LYS B 72 1.537 -22.022 -15.384 1.00 0.00 C ATOM 1104 NZ LYS B 72 0.816 -23.300 -15.232 1.00 0.00 N ATOM 0 H LYS B 72 3.747 -19.230 -12.557 1.00 0.00 H new ATOM 0 HA LYS B 72 4.503 -22.025 -12.446 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.389 -19.703 -14.199 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.583 -21.410 -14.544 1.00 0.00 H new ATOM 0 HG2 LYS B 72 2.937 -19.900 -14.369 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.704 -20.476 -15.835 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.497 -22.841 -14.988 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.677 -22.241 -13.561 1.00 0.00 H new ATOM 0 HE2 LYS B 72 0.914 -21.204 -15.022 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.729 -21.833 -16.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -0.077 -23.260 -15.763 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.403 -24.076 -15.600 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.613 -23.467 -14.226 1.00 0.00 H new ATOM 1118 N SER B 73 7.237 -21.154 -12.634 1.00 0.00 N ATOM 1119 CA SER B 73 8.582 -21.173 -12.102 1.00 0.00 C ATOM 1120 C SER B 73 9.597 -20.582 -13.060 1.00 0.00 C ATOM 1121 O SER B 73 9.372 -20.502 -14.267 1.00 0.00 O ATOM 1122 CB SER B 73 8.899 -22.631 -11.788 1.00 0.00 C ATOM 1123 OG SER B 73 10.158 -22.772 -11.178 1.00 0.00 O ATOM 0 H SER B 73 7.181 -21.424 -13.616 1.00 0.00 H new ATOM 0 HA SER B 73 8.641 -20.551 -11.209 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.129 -23.037 -11.131 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.873 -23.215 -12.708 1.00 0.00 H new ATOM 0 HG SER B 73 10.326 -23.719 -10.990 1.00 0.00 H new ATOM 1129 N LEU B 74 10.723 -20.169 -12.483 1.00 0.00 N ATOM 1130 CA LEU B 74 11.846 -19.634 -13.217 1.00 0.00 C ATOM 1131 C LEU B 74 13.090 -20.324 -12.714 1.00 0.00 C ATOM 1132 O LEU B 74 13.355 -20.311 -11.512 1.00 0.00 O ATOM 1133 CB LEU B 74 12.005 -18.135 -12.975 1.00 0.00 C ATOM 1134 CG LEU B 74 12.290 -17.336 -14.246 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.481 -17.862 -15.043 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.055 -17.350 -15.137 1.00 0.00 C ATOM 0 H LEU B 74 10.874 -20.201 -11.475 1.00 0.00 H new ATOM 0 HA LEU B 74 11.685 -19.798 -14.282 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.096 -17.752 -12.512 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.817 -17.974 -12.265 1.00 0.00 H new ATOM 0 HG LEU B 74 12.541 -16.324 -13.928 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.624 -17.247 -15.931 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.378 -17.822 -14.425 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.292 -18.893 -15.342 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.255 -16.781 -16.045 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.808 -18.378 -15.401 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.217 -16.901 -14.604 1.00 0.00 H new ATOM 1148 N ASP B 75 13.841 -20.916 -13.636 1.00 0.00 N ATOM 1149 CA ASP B 75 15.105 -21.556 -13.342 1.00 0.00 C ATOM 1150 C ASP B 75 15.029 -22.661 -12.293 1.00 0.00 C ATOM 1151 O ASP B 75 16.039 -23.296 -11.994 1.00 0.00 O ATOM 1152 CB ASP B 75 16.096 -20.474 -12.921 1.00 0.00 C ATOM 1153 CG ASP B 75 17.541 -20.821 -13.277 1.00 0.00 C ATOM 1154 OD1 ASP B 75 17.749 -21.776 -14.056 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.431 -20.116 -12.754 1.00 0.00 O ATOM 0 H ASP B 75 13.580 -20.962 -14.621 1.00 0.00 H new ATOM 0 HA ASP B 75 15.432 -22.065 -14.249 1.00 0.00 H new ATOM 0 HB2 ASP B 75 15.825 -19.533 -13.400 1.00 0.00 H new ATOM 0 HB3 ASP B 75 16.020 -20.317 -11.845 1.00 0.00 H new ATOM 1160 N GLY B 76 13.841 -22.895 -11.732 1.00 0.00 N ATOM 1161 CA GLY B 76 13.647 -23.961 -10.781 1.00 0.00 C ATOM 1162 C GLY B 76 12.786 -23.568 -9.584 1.00 0.00 C ATOM 1163 O GLY B 76 12.380 -24.447 -8.823 1.00 0.00 O ATOM 0 H GLY B 76 13.002 -22.350 -11.930 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.184 -24.808 -11.288 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.620 -24.297 -10.422 1.00 0.00 H new ATOM 1167 N LYS B 77 12.501 -22.269 -9.404 1.00 0.00 N ATOM 1168 CA LYS B 77 11.768 -21.784 -8.244 1.00 0.00 C ATOM 1169 C LYS B 77 10.489 -21.080 -8.661 1.00 0.00 C ATOM 1170 O LYS B 77 10.486 -20.301 -9.615 1.00 0.00 O ATOM 1171 CB LYS B 77 12.646 -20.868 -7.383 1.00 0.00 C ATOM 1172 CG LYS B 77 13.977 -21.528 -7.025 1.00 0.00 C ATOM 1173 CD LYS B 77 13.816 -22.824 -6.231 1.00 0.00 C ATOM 1174 CE LYS B 77 15.165 -23.540 -6.181 1.00 0.00 C ATOM 1175 NZ LYS B 77 15.083 -24.780 -5.385 1.00 0.00 N ATOM 0 H LYS B 77 12.774 -21.536 -10.059 1.00 0.00 H new ATOM 0 HA LYS B 77 11.491 -22.647 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.834 -19.937 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.112 -20.608 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.528 -21.738 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.578 -20.827 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.466 -22.608 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.067 -23.463 -6.698 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.492 -23.776 -7.194 1.00 0.00 H new ATOM 0 HE3 LYS B 77 15.915 -22.877 -5.750 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 16.013 -25.244 -5.369 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 14.794 -24.550 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 14.384 -25.421 -5.812 1.00 0.00 H new ATOM 1189 N ALA B 78 9.399 -21.353 -7.941 1.00 0.00 N ATOM 1190 CA ALA B 78 8.087 -20.824 -8.278 1.00 0.00 C ATOM 1191 C ALA B 78 8.029 -19.314 -8.067 1.00 0.00 C ATOM 1192 O ALA B 78 8.575 -18.792 -7.096 1.00 0.00 O ATOM 1193 CB ALA B 78 7.020 -21.542 -7.457 1.00 0.00 C ATOM 0 H ALA B 78 9.406 -21.946 -7.111 1.00 0.00 H new ATOM 0 HA ALA B 78 7.895 -21.005 -9.336 1.00 0.00 H new ATOM 0 HB1 ALA B 78 6.037 -21.145 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.048 -22.609 -7.678 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.212 -21.386 -6.395 1.00 0.00 H new ATOM 1199 N ILE B 79 7.357 -18.613 -8.985 1.00 0.00 N ATOM 1200 CA ILE B 79 7.288 -17.160 -8.977 1.00 0.00 C ATOM 1201 C ILE B 79 5.862 -16.621 -8.945 1.00 0.00 C ATOM 1202 O ILE B 79 4.882 -17.368 -8.976 1.00 0.00 O ATOM 1203 CB ILE B 79 7.993 -16.594 -10.217 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.196 -16.900 -11.492 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.417 -17.133 -10.336 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.733 -16.102 -12.677 1.00 0.00 C ATOM 0 H ILE B 79 6.846 -19.045 -9.755 1.00 0.00 H new ATOM 0 HA ILE B 79 7.783 -16.840 -8.060 1.00 0.00 H new ATOM 0 HB ILE B 79 8.048 -15.512 -10.099 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.251 -17.966 -11.712 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.144 -16.660 -11.334 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.891 -16.715 -11.224 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.988 -16.850 -9.452 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.389 -18.220 -10.418 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.151 -16.337 -13.568 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.655 -15.036 -12.463 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.778 -16.362 -12.847 1.00 0.00 H new ATOM 1218 N LYS B 80 5.779 -15.290 -8.887 1.00 0.00 N ATOM 1219 CA LYS B 80 4.570 -14.508 -9.036 1.00 0.00 C ATOM 1220 C LYS B 80 4.777 -13.570 -10.221 1.00 0.00 C ATOM 1221 O LYS B 80 5.881 -13.064 -10.404 1.00 0.00 O ATOM 1222 CB LYS B 80 4.331 -13.685 -7.767 1.00 0.00 C ATOM 1223 CG LYS B 80 2.951 -13.023 -7.794 1.00 0.00 C ATOM 1224 CD LYS B 80 2.821 -12.049 -6.624 1.00 0.00 C ATOM 1225 CE LYS B 80 1.378 -11.552 -6.531 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.211 -10.608 -5.411 1.00 0.00 N ATOM 0 H LYS B 80 6.601 -14.708 -8.726 1.00 0.00 H new ATOM 0 HA LYS B 80 3.708 -15.155 -9.200 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.412 -14.329 -6.891 1.00 0.00 H new ATOM 0 HB3 LYS B 80 5.103 -12.921 -7.674 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.810 -12.494 -8.737 1.00 0.00 H new ATOM 0 HG3 LYS B 80 2.172 -13.783 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS B 80 3.108 -12.541 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.499 -11.206 -6.762 1.00 0.00 H new ATOM 0 HE2 LYS B 80 1.097 -11.066 -7.465 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.706 -12.400 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 0.222 -10.287 -5.372 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 1.457 -11.081 -4.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 1.836 -9.788 -5.552 1.00 0.00 H new ATOM 1240 N VAL B 81 3.733 -13.339 -11.016 1.00 0.00 N ATOM 1241 CA VAL B 81 3.801 -12.364 -12.095 1.00 0.00 C ATOM 1242 C VAL B 81 2.554 -11.497 -12.043 1.00 0.00 C ATOM 1243 O VAL B 81 1.436 -12.010 -12.024 1.00 0.00 O ATOM 1244 CB VAL B 81 3.968 -13.040 -13.453 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.122 -11.979 -14.538 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.216 -13.922 -13.458 1.00 0.00 C ATOM 0 H VAL B 81 2.834 -13.814 -10.931 1.00 0.00 H new ATOM 0 HA VAL B 81 4.681 -11.735 -11.962 1.00 0.00 H new ATOM 0 HB VAL B 81 3.087 -13.652 -13.644 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.241 -12.464 -15.507 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.235 -11.346 -14.556 1.00 0.00 H new ATOM 0 HG13 VAL B 81 5.000 -11.368 -14.328 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.322 -14.397 -14.433 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.095 -13.310 -13.256 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.123 -14.689 -12.689 1.00 0.00 H new ATOM 1256 N GLU B 82 2.747 -10.177 -12.017 1.00 0.00 N ATOM 1257 CA GLU B 82 1.640 -9.243 -11.845 1.00 0.00 C ATOM 1258 C GLU B 82 2.057 -7.874 -12.368 1.00 0.00 C ATOM 1259 O GLU B 82 3.247 -7.626 -12.554 1.00 0.00 O ATOM 1260 CB GLU B 82 1.304 -9.182 -10.349 1.00 0.00 C ATOM 1261 CG GLU B 82 0.066 -8.338 -10.035 1.00 0.00 C ATOM 1262 CD GLU B 82 -1.159 -8.824 -10.809 1.00 0.00 C ATOM 1263 OE1 GLU B 82 -1.840 -9.737 -10.297 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.402 -8.276 -11.906 1.00 0.00 O ATOM 0 H GLU B 82 3.661 -9.734 -12.113 1.00 0.00 H new ATOM 0 HA GLU B 82 0.760 -9.565 -12.401 1.00 0.00 H new ATOM 0 HB2 GLU B 82 1.147 -10.195 -9.978 1.00 0.00 H new ATOM 0 HB3 GLU B 82 2.159 -8.774 -9.809 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.140 -8.377 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.264 -7.295 -10.283 1.00 0.00 H new ATOM 1271 N GLN B 83 1.103 -6.975 -12.611 1.00 0.00 N ATOM 1272 CA GLN B 83 1.434 -5.614 -12.997 1.00 0.00 C ATOM 1273 C GLN B 83 2.136 -4.949 -11.811 1.00 0.00 C ATOM 1274 O GLN B 83 1.686 -5.075 -10.671 1.00 0.00 O ATOM 1275 CB GLN B 83 0.153 -4.898 -13.436 1.00 0.00 C ATOM 1276 CG GLN B 83 0.426 -3.626 -14.236 1.00 0.00 C ATOM 1277 CD GLN B 83 1.026 -2.522 -13.383 1.00 0.00 C ATOM 1278 OE1 GLN B 83 0.660 -2.355 -12.222 1.00 0.00 O ATOM 1279 NE2 GLN B 83 1.952 -1.764 -13.953 1.00 0.00 N ATOM 0 H GLN B 83 0.103 -7.168 -12.547 1.00 0.00 H new ATOM 0 HA GLN B 83 2.116 -5.575 -13.846 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.449 -5.578 -14.039 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.437 -4.647 -12.555 1.00 0.00 H new ATOM 0 HG2 GLN B 83 1.104 -3.856 -15.058 1.00 0.00 H new ATOM 0 HG3 GLN B 83 -0.505 -3.273 -14.680 1.00 0.00 H new ATOM 0 HE21 GLN B 83 2.228 -1.936 -14.920 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.389 -1.009 -13.425 1.00 0.00 H new ATOM 1288 N ALA B 84 3.241 -4.243 -12.066 1.00 0.00 N ATOM 1289 CA ALA B 84 4.099 -3.754 -11.001 1.00 0.00 C ATOM 1290 C ALA B 84 3.588 -2.470 -10.359 1.00 0.00 C ATOM 1291 O ALA B 84 3.110 -1.568 -11.047 1.00 0.00 O ATOM 1292 CB ALA B 84 5.502 -3.529 -11.553 1.00 0.00 C ATOM 0 H ALA B 84 3.557 -4.001 -13.005 1.00 0.00 H new ATOM 0 HA ALA B 84 4.106 -4.513 -10.218 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.151 -3.162 -10.758 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.896 -4.469 -11.938 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.463 -2.795 -12.358 1.00 0.00 H new ATOM 1298 N THR B 85 3.698 -2.387 -9.030 1.00 0.00 N ATOM 1299 CA THR B 85 3.384 -1.160 -8.311 1.00 0.00 C ATOM 1300 C THR B 85 4.663 -0.373 -8.076 1.00 0.00 C ATOM 1301 O THR B 85 5.765 -0.883 -8.270 1.00 0.00 O ATOM 1302 CB THR B 85 2.710 -1.441 -6.970 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.551 -2.219 -6.147 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.394 -2.194 -7.177 1.00 0.00 C ATOM 0 H THR B 85 4.002 -3.157 -8.435 1.00 0.00 H new ATOM 0 HA THR B 85 2.688 -0.585 -8.921 1.00 0.00 H new ATOM 0 HB THR B 85 2.512 -0.482 -6.490 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.105 -2.389 -5.291 1.00 0.00 H new ATOM 0 HG21 THR B 85 0.928 -2.385 -6.210 1.00 0.00 H new ATOM 0 HG22 THR B 85 0.723 -1.592 -7.790 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.592 -3.141 -7.678 1.00 0.00 H new