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 : amide:sc= -4.39! C(o=-4.4!,f=-4.6!) USER MOD Single : B 17 THR OG1 : rot 81:sc= 1.23 USER MOD Single : B 19 THR OG1 : rot 180:sc=-0.00836 USER MOD Single : B 20 ASN : amide:sc= -0.0433 X(o=-0.043,f=-0.043) USER MOD Single : B 22 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0859) USER MOD Single : B 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00203) USER MOD Single : B 31 TYR OH : rot 150:sc= -1 USER MOD Single : B 40 MET CE :methyl -129:sc= -0.28 (180deg=-2.37!) 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= 0.00691 USER MOD Single : B 63 LYS NZ :NH3+ 167:sc=-0.00373 (180deg=-0.149) USER MOD Single : B 69 MET CE :methyl -144:sc= -1.99 (180deg=-3.04!) USER MOD Single : B 70 ASN : amide:sc= 0.173 K(o=0.17,f=-4.1!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 SER OG : rot 180:sc= -0.0152 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= 0 X(o=0,f=-0.46) USER MOD Single : B 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N GLY B 8 2.238 -2.627 -18.817 1.00 0.00 N ATOM 112 CA GLY B 8 3.308 -3.314 -19.507 1.00 0.00 C ATOM 113 C GLY B 8 4.458 -3.582 -18.553 1.00 0.00 C ATOM 114 O GLY B 8 5.354 -4.346 -18.900 1.00 0.00 O ATOM 0 HA2 GLY B 8 2.941 -4.254 -19.919 1.00 0.00 H new ATOM 0 HA3 GLY B 8 3.655 -2.712 -20.347 1.00 0.00 H new ATOM 118 N LYS B 9 4.444 -2.969 -17.360 1.00 0.00 N ATOM 119 CA LYS B 9 5.501 -3.228 -16.399 1.00 0.00 C ATOM 120 C LYS B 9 5.026 -4.335 -15.480 1.00 0.00 C ATOM 121 O LYS B 9 3.951 -4.240 -14.893 1.00 0.00 O ATOM 122 CB LYS B 9 5.906 -1.974 -15.632 1.00 0.00 C ATOM 123 CG LYS B 9 7.081 -2.358 -14.725 1.00 0.00 C ATOM 124 CD LYS B 9 7.528 -1.202 -13.838 1.00 0.00 C ATOM 125 CE LYS B 9 8.192 -0.111 -14.678 1.00 0.00 C ATOM 126 NZ LYS B 9 8.577 1.045 -13.847 1.00 0.00 N ATOM 0 H LYS B 9 3.729 -2.310 -17.052 1.00 0.00 H new ATOM 0 HA LYS B 9 6.405 -3.543 -16.921 1.00 0.00 H new ATOM 0 HB2 LYS B 9 6.194 -1.179 -16.319 1.00 0.00 H new ATOM 0 HB3 LYS B 9 5.071 -1.598 -15.041 1.00 0.00 H new ATOM 0 HG2 LYS B 9 6.793 -3.203 -14.099 1.00 0.00 H new ATOM 0 HG3 LYS B 9 7.919 -2.687 -15.339 1.00 0.00 H new ATOM 0 HD2 LYS B 9 6.670 -0.790 -13.308 1.00 0.00 H new ATOM 0 HD3 LYS B 9 8.226 -1.564 -13.083 1.00 0.00 H new ATOM 0 HE2 LYS B 9 9.075 -0.516 -15.172 1.00 0.00 H new ATOM 0 HE3 LYS B 9 7.508 0.214 -15.462 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 9.025 1.769 -14.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 7.730 1.445 -13.395 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 9.248 0.738 -13.114 1.00 0.00 H new ATOM 140 N LEU B 10 5.831 -5.383 -15.352 1.00 0.00 N ATOM 141 CA LEU B 10 5.460 -6.544 -14.573 1.00 0.00 C ATOM 142 C LEU B 10 6.360 -6.665 -13.359 1.00 0.00 C ATOM 143 O LEU B 10 7.499 -6.207 -13.371 1.00 0.00 O ATOM 144 CB LEU B 10 5.570 -7.783 -15.454 1.00 0.00 C ATOM 145 CG LEU B 10 4.542 -7.839 -16.584 1.00 0.00 C ATOM 146 CD1 LEU B 10 4.774 -9.155 -17.325 1.00 0.00 C ATOM 147 CD2 LEU B 10 3.103 -7.829 -16.066 1.00 0.00 C ATOM 0 H LEU B 10 6.752 -5.446 -15.785 1.00 0.00 H new ATOM 0 HA LEU B 10 4.433 -6.444 -14.221 1.00 0.00 H new ATOM 0 HB2 LEU B 10 6.570 -7.821 -15.885 1.00 0.00 H new ATOM 0 HB3 LEU B 10 5.457 -8.670 -14.831 1.00 0.00 H new ATOM 0 HG LEU B 10 4.667 -6.962 -17.219 1.00 0.00 H new ATOM 0 HD11 LEU B 10 4.061 -9.242 -18.145 1.00 0.00 H new ATOM 0 HD12 LEU B 10 5.789 -9.174 -17.723 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.638 -9.989 -16.636 1.00 0.00 H new ATOM 0 HD21 LEU B 10 2.413 -7.870 -16.909 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.942 -8.694 -15.422 1.00 0.00 H new ATOM 0 HD23 LEU B 10 2.927 -6.916 -15.497 1.00 0.00 H new ATOM 159 N PHE B 11 5.830 -7.294 -12.313 1.00 0.00 N ATOM 160 CA PHE B 11 6.568 -7.644 -11.120 1.00 0.00 C ATOM 161 C PHE B 11 6.791 -9.145 -11.147 1.00 0.00 C ATOM 162 O PHE B 11 5.837 -9.902 -11.308 1.00 0.00 O ATOM 163 CB PHE B 11 5.769 -7.243 -9.884 1.00 0.00 C ATOM 164 CG PHE B 11 6.378 -7.787 -8.618 1.00 0.00 C ATOM 165 CD1 PHE B 11 7.557 -7.222 -8.121 1.00 0.00 C ATOM 166 CD2 PHE B 11 5.772 -8.861 -7.951 1.00 0.00 C ATOM 167 CE1 PHE B 11 8.134 -7.726 -6.948 1.00 0.00 C ATOM 168 CE2 PHE B 11 6.351 -9.366 -6.780 1.00 0.00 C ATOM 169 CZ PHE B 11 7.529 -8.797 -6.279 1.00 0.00 C ATOM 0 H PHE B 11 4.851 -7.578 -12.279 1.00 0.00 H new ATOM 0 HA PHE B 11 7.524 -7.122 -11.085 1.00 0.00 H new ATOM 0 HB2 PHE B 11 5.716 -6.156 -9.823 1.00 0.00 H new ATOM 0 HB3 PHE B 11 4.746 -7.607 -9.980 1.00 0.00 H new ATOM 0 HD1 PHE B 11 8.022 -6.398 -8.641 1.00 0.00 H new ATOM 0 HD2 PHE B 11 4.863 -9.297 -8.338 1.00 0.00 H new ATOM 0 HE1 PHE B 11 9.043 -7.290 -6.561 1.00 0.00 H new ATOM 0 HE2 PHE B 11 5.889 -10.194 -6.263 1.00 0.00 H new ATOM 0 HZ PHE B 11 7.972 -9.186 -5.374 1.00 0.00 H new ATOM 179 N ILE B 12 8.043 -9.573 -10.990 1.00 0.00 N ATOM 180 CA ILE B 12 8.413 -10.974 -11.103 1.00 0.00 C ATOM 181 C ILE B 12 9.016 -11.452 -9.781 1.00 0.00 C ATOM 182 O ILE B 12 10.232 -11.585 -9.668 1.00 0.00 O ATOM 183 CB ILE B 12 9.390 -11.170 -12.270 1.00 0.00 C ATOM 184 CG1 ILE B 12 9.120 -10.325 -13.528 1.00 0.00 C ATOM 185 CG2 ILE B 12 9.380 -12.648 -12.646 1.00 0.00 C ATOM 186 CD1 ILE B 12 7.755 -10.536 -14.178 1.00 0.00 C ATOM 0 H ILE B 12 8.826 -8.954 -10.781 1.00 0.00 H new ATOM 0 HA ILE B 12 7.526 -11.572 -11.310 1.00 0.00 H new ATOM 0 HB ILE B 12 10.359 -10.824 -11.911 1.00 0.00 H new ATOM 0 HG12 ILE B 12 9.220 -9.272 -13.266 1.00 0.00 H new ATOM 0 HG13 ILE B 12 9.892 -10.545 -14.265 1.00 0.00 H new ATOM 0 HG21 ILE B 12 10.067 -12.817 -13.475 1.00 0.00 H new ATOM 0 HG22 ILE B 12 9.692 -13.244 -11.788 1.00 0.00 H new ATOM 0 HG23 ILE B 12 8.373 -12.941 -12.944 1.00 0.00 H new ATOM 0 HD11 ILE B 12 7.666 -9.894 -15.055 1.00 0.00 H new ATOM 0 HD12 ILE B 12 7.653 -11.579 -14.479 1.00 0.00 H new ATOM 0 HD13 ILE B 12 6.970 -10.286 -13.465 1.00 0.00 H new ATOM 198 N GLY B 13 8.177 -11.707 -8.772 1.00 0.00 N ATOM 199 CA GLY B 13 8.678 -12.084 -7.453 1.00 0.00 C ATOM 200 C GLY B 13 8.791 -13.594 -7.299 1.00 0.00 C ATOM 201 O GLY B 13 7.944 -14.330 -7.793 1.00 0.00 O ATOM 0 H GLY B 13 7.161 -11.659 -8.844 1.00 0.00 H new ATOM 0 HA2 GLY B 13 9.655 -11.629 -7.292 1.00 0.00 H new ATOM 0 HA3 GLY B 13 8.012 -11.690 -6.685 1.00 0.00 H new ATOM 205 N GLY B 14 9.835 -14.072 -6.616 1.00 0.00 N ATOM 206 CA GLY B 14 9.986 -15.480 -6.270 1.00 0.00 C ATOM 207 C GLY B 14 11.020 -16.173 -7.153 1.00 0.00 C ATOM 208 O GLY B 14 11.147 -17.395 -7.122 1.00 0.00 O ATOM 0 H GLY B 14 10.602 -13.485 -6.287 1.00 0.00 H new ATOM 0 HA2 GLY B 14 10.283 -15.568 -5.225 1.00 0.00 H new ATOM 0 HA3 GLY B 14 9.025 -15.984 -6.371 1.00 0.00 H new ATOM 212 N LEU B 15 11.758 -15.392 -7.946 1.00 0.00 N ATOM 213 CA LEU B 15 12.734 -15.924 -8.883 1.00 0.00 C ATOM 214 C LEU B 15 13.904 -16.594 -8.166 1.00 0.00 C ATOM 215 O LEU B 15 14.110 -16.403 -6.970 1.00 0.00 O ATOM 216 CB LEU B 15 13.275 -14.796 -9.757 1.00 0.00 C ATOM 217 CG LEU B 15 12.223 -14.135 -10.642 1.00 0.00 C ATOM 218 CD1 LEU B 15 12.760 -12.793 -11.119 1.00 0.00 C ATOM 219 CD2 LEU B 15 11.996 -15.021 -11.859 1.00 0.00 C ATOM 0 H LEU B 15 11.691 -14.374 -7.952 1.00 0.00 H new ATOM 0 HA LEU B 15 12.229 -16.674 -9.492 1.00 0.00 H new ATOM 0 HB2 LEU B 15 13.724 -14.037 -9.116 1.00 0.00 H new ATOM 0 HB3 LEU B 15 14.071 -15.190 -10.389 1.00 0.00 H new ATOM 0 HG LEU B 15 11.294 -13.996 -10.088 1.00 0.00 H new ATOM 0 HD11 LEU B 15 12.018 -12.309 -11.753 1.00 0.00 H new ATOM 0 HD12 LEU B 15 12.971 -12.159 -10.258 1.00 0.00 H new ATOM 0 HD13 LEU B 15 13.677 -12.949 -11.688 1.00 0.00 H new ATOM 0 HD21 LEU B 15 11.246 -14.566 -12.506 1.00 0.00 H new ATOM 0 HD22 LEU B 15 12.931 -15.131 -12.409 1.00 0.00 H new ATOM 0 HD23 LEU B 15 11.648 -16.002 -11.535 1.00 0.00 H new ATOM 231 N ASN B 16 14.672 -17.384 -8.920 1.00 0.00 N ATOM 232 CA ASN B 16 15.839 -18.064 -8.417 1.00 0.00 C ATOM 233 C ASN B 16 17.027 -17.107 -8.298 1.00 0.00 C ATOM 234 O ASN B 16 17.060 -16.067 -8.956 1.00 0.00 O ATOM 235 CB ASN B 16 16.124 -19.218 -9.364 1.00 0.00 C ATOM 236 CG ASN B 16 17.098 -20.231 -8.808 1.00 0.00 C ATOM 237 OD1 ASN B 16 17.481 -20.196 -7.645 1.00 0.00 O ATOM 238 ND2 ASN B 16 17.493 -21.146 -9.678 1.00 0.00 N ATOM 0 H ASN B 16 14.488 -17.563 -9.907 1.00 0.00 H new ATOM 0 HA ASN B 16 15.665 -18.444 -7.410 1.00 0.00 H new ATOM 0 HB2 ASN B 16 15.187 -19.721 -9.603 1.00 0.00 H new ATOM 0 HB3 ASN B 16 16.520 -18.821 -10.299 1.00 0.00 H new ATOM 0 HD21 ASN B 16 18.150 -21.872 -9.392 1.00 0.00 H new ATOM 0 HD22 ASN B 16 17.140 -21.126 -10.635 1.00 0.00 H new ATOM 245 N THR B 17 18.005 -17.455 -7.460 1.00 0.00 N ATOM 246 CA THR B 17 19.231 -16.683 -7.292 1.00 0.00 C ATOM 247 C THR B 17 20.132 -16.860 -8.507 1.00 0.00 C ATOM 248 O THR B 17 21.159 -16.195 -8.627 1.00 0.00 O ATOM 249 CB THR B 17 19.965 -17.149 -6.034 1.00 0.00 C ATOM 250 OG1 THR B 17 20.348 -18.501 -6.158 1.00 0.00 O ATOM 251 CG2 THR B 17 19.048 -17.053 -4.822 1.00 0.00 C ATOM 0 H THR B 17 17.965 -18.289 -6.875 1.00 0.00 H new ATOM 0 HA THR B 17 18.975 -15.628 -7.192 1.00 0.00 H new ATOM 0 HB THR B 17 20.840 -16.511 -5.910 1.00 0.00 H new ATOM 0 HG1 THR B 17 21.172 -18.561 -6.686 1.00 0.00 H new ATOM 0 HG21 THR B 17 19.583 -17.388 -3.933 1.00 0.00 H new ATOM 0 HG22 THR B 17 18.731 -16.019 -4.687 1.00 0.00 H new ATOM 0 HG23 THR B 17 18.173 -17.683 -4.977 1.00 0.00 H new ATOM 259 N GLU B 18 19.734 -17.764 -9.404 1.00 0.00 N ATOM 260 CA GLU B 18 20.500 -18.163 -10.567 1.00 0.00 C ATOM 261 C GLU B 18 19.980 -17.459 -11.818 1.00 0.00 C ATOM 262 O GLU B 18 20.607 -17.515 -12.875 1.00 0.00 O ATOM 263 CB GLU B 18 20.381 -19.684 -10.715 1.00 0.00 C ATOM 264 CG GLU B 18 20.502 -20.395 -9.363 1.00 0.00 C ATOM 265 CD GLU B 18 21.895 -20.219 -8.755 1.00 0.00 C ATOM 266 OE1 GLU B 18 22.097 -19.229 -8.021 1.00 0.00 O ATOM 267 OE2 GLU B 18 22.753 -21.086 -9.037 1.00 0.00 O ATOM 0 H GLU B 18 18.840 -18.249 -9.331 1.00 0.00 H new ATOM 0 HA GLU B 18 21.545 -17.881 -10.442 1.00 0.00 H new ATOM 0 HB2 GLU B 18 19.423 -19.932 -11.172 1.00 0.00 H new ATOM 0 HB3 GLU B 18 21.158 -20.046 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU B 18 19.753 -20.001 -8.676 1.00 0.00 H new ATOM 0 HG3 GLU B 18 20.292 -21.457 -9.490 1.00 0.00 H new ATOM 274 N THR B 19 18.828 -16.795 -11.691 1.00 0.00 N ATOM 275 CA THR B 19 18.192 -16.084 -12.786 1.00 0.00 C ATOM 276 C THR B 19 18.808 -14.702 -12.930 1.00 0.00 C ATOM 277 O THR B 19 19.176 -14.072 -11.938 1.00 0.00 O ATOM 278 CB THR B 19 16.690 -15.973 -12.524 1.00 0.00 C ATOM 279 OG1 THR B 19 16.143 -17.245 -12.257 1.00 0.00 O ATOM 280 CG2 THR B 19 15.960 -15.385 -13.730 1.00 0.00 C ATOM 0 H THR B 19 18.311 -16.740 -10.813 1.00 0.00 H new ATOM 0 HA THR B 19 18.348 -16.634 -13.714 1.00 0.00 H new ATOM 0 HB THR B 19 16.560 -15.316 -11.664 1.00 0.00 H new ATOM 0 HG1 THR B 19 15.181 -17.159 -12.089 1.00 0.00 H new ATOM 0 HG21 THR B 19 14.894 -15.319 -13.513 1.00 0.00 H new ATOM 0 HG22 THR B 19 16.350 -14.389 -13.941 1.00 0.00 H new ATOM 0 HG23 THR B 19 16.115 -16.027 -14.597 1.00 0.00 H new ATOM 288 N ASN B 20 18.922 -14.229 -14.171 1.00 0.00 N ATOM 289 CA ASN B 20 19.387 -12.881 -14.449 1.00 0.00 C ATOM 290 C ASN B 20 18.531 -12.277 -15.550 1.00 0.00 C ATOM 291 O ASN B 20 17.510 -12.837 -15.943 1.00 0.00 O ATOM 292 CB ASN B 20 20.856 -12.849 -14.868 1.00 0.00 C ATOM 293 CG ASN B 20 21.638 -14.067 -14.423 1.00 0.00 C ATOM 294 OD1 ASN B 20 22.221 -14.088 -13.343 1.00 0.00 O ATOM 295 ND2 ASN B 20 21.650 -15.090 -15.268 1.00 0.00 N ATOM 0 H ASN B 20 18.694 -14.771 -15.005 1.00 0.00 H new ATOM 0 HA ASN B 20 19.298 -12.301 -13.530 1.00 0.00 H new ATOM 0 HB2 ASN B 20 20.914 -12.766 -15.953 1.00 0.00 H new ATOM 0 HB3 ASN B 20 21.324 -11.956 -14.455 1.00 0.00 H new ATOM 0 HD21 ASN B 20 22.159 -15.941 -15.031 1.00 0.00 H new ATOM 0 HD22 ASN B 20 21.150 -15.025 -16.155 1.00 0.00 H new ATOM 302 N GLU B 21 18.961 -11.121 -16.049 1.00 0.00 N ATOM 303 CA GLU B 21 18.190 -10.332 -16.996 1.00 0.00 C ATOM 304 C GLU B 21 18.059 -11.054 -18.334 1.00 0.00 C ATOM 305 O GLU B 21 17.025 -10.943 -18.987 1.00 0.00 O ATOM 306 CB GLU B 21 18.881 -8.984 -17.190 1.00 0.00 C ATOM 307 CG GLU B 21 18.811 -8.204 -15.878 1.00 0.00 C ATOM 308 CD GLU B 21 19.705 -6.968 -15.917 1.00 0.00 C ATOM 309 OE1 GLU B 21 19.238 -5.933 -16.445 1.00 0.00 O ATOM 310 OE2 GLU B 21 20.851 -7.062 -15.421 1.00 0.00 O ATOM 0 H GLU B 21 19.860 -10.706 -15.804 1.00 0.00 H new ATOM 0 HA GLU B 21 17.185 -10.183 -16.601 1.00 0.00 H new ATOM 0 HB2 GLU B 21 19.919 -9.131 -17.487 1.00 0.00 H new ATOM 0 HB3 GLU B 21 18.397 -8.423 -17.989 1.00 0.00 H new ATOM 0 HG2 GLU B 21 17.781 -7.904 -15.686 1.00 0.00 H new ATOM 0 HG3 GLU B 21 19.114 -8.849 -15.053 1.00 0.00 H new ATOM 317 N LYS B 22 19.089 -11.793 -18.751 1.00 0.00 N ATOM 318 CA LYS B 22 19.069 -12.469 -20.042 1.00 0.00 C ATOM 319 C LYS B 22 18.033 -13.587 -20.060 1.00 0.00 C ATOM 320 O LYS B 22 17.481 -13.910 -21.107 1.00 0.00 O ATOM 321 CB LYS B 22 20.472 -13.001 -20.336 1.00 0.00 C ATOM 322 CG LYS B 22 20.540 -13.780 -21.653 1.00 0.00 C ATOM 323 CD LYS B 22 19.944 -12.976 -22.811 1.00 0.00 C ATOM 324 CE LYS B 22 20.177 -13.685 -24.146 1.00 0.00 C ATOM 325 NZ LYS B 22 19.497 -14.992 -24.189 1.00 0.00 N ATOM 0 H LYS B 22 19.943 -11.936 -18.213 1.00 0.00 H new ATOM 0 HA LYS B 22 18.781 -11.763 -20.821 1.00 0.00 H new ATOM 0 HB2 LYS B 22 21.173 -12.167 -20.374 1.00 0.00 H new ATOM 0 HB3 LYS B 22 20.791 -13.648 -19.518 1.00 0.00 H new ATOM 0 HG2 LYS B 22 21.577 -14.028 -21.877 1.00 0.00 H new ATOM 0 HG3 LYS B 22 20.002 -14.722 -21.548 1.00 0.00 H new ATOM 0 HD2 LYS B 22 18.875 -12.837 -22.650 1.00 0.00 H new ATOM 0 HD3 LYS B 22 20.393 -11.983 -22.839 1.00 0.00 H new ATOM 0 HE2 LYS B 22 19.814 -13.058 -24.960 1.00 0.00 H new ATOM 0 HE3 LYS B 22 21.247 -13.825 -24.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 19.561 -15.385 -25.150 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 19.953 -15.643 -23.518 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 18.497 -14.872 -23.930 1.00 0.00 H new ATOM 339 N ALA B 23 17.760 -14.182 -18.902 1.00 0.00 N ATOM 340 CA ALA B 23 16.814 -15.284 -18.816 1.00 0.00 C ATOM 341 C ALA B 23 15.412 -14.710 -18.681 1.00 0.00 C ATOM 342 O ALA B 23 14.420 -15.374 -18.971 1.00 0.00 O ATOM 343 CB ALA B 23 17.174 -16.161 -17.619 1.00 0.00 C ATOM 0 H ALA B 23 18.182 -13.918 -18.012 1.00 0.00 H new ATOM 0 HA ALA B 23 16.853 -15.902 -19.713 1.00 0.00 H new ATOM 0 HB1 ALA B 23 16.468 -16.989 -17.549 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.183 -16.554 -17.746 1.00 0.00 H new ATOM 0 HB3 ALA B 23 17.128 -15.567 -16.706 1.00 0.00 H new ATOM 349 N LEU B 24 15.350 -13.457 -18.232 1.00 0.00 N ATOM 350 CA LEU B 24 14.136 -12.732 -17.948 1.00 0.00 C ATOM 351 C LEU B 24 13.645 -12.045 -19.214 1.00 0.00 C ATOM 352 O LEU B 24 12.451 -11.814 -19.385 1.00 0.00 O ATOM 353 CB LEU B 24 14.520 -11.736 -16.852 1.00 0.00 C ATOM 354 CG LEU B 24 13.982 -12.227 -15.517 1.00 0.00 C ATOM 355 CD1 LEU B 24 14.767 -11.627 -14.363 1.00 0.00 C ATOM 356 CD2 LEU B 24 12.522 -11.820 -15.366 1.00 0.00 C ATOM 0 H LEU B 24 16.188 -12.905 -18.052 1.00 0.00 H new ATOM 0 HA LEU B 24 13.317 -13.370 -17.616 1.00 0.00 H new ATOM 0 HB2 LEU B 24 15.604 -11.630 -16.804 1.00 0.00 H new ATOM 0 HB3 LEU B 24 14.114 -10.751 -17.081 1.00 0.00 H new ATOM 0 HG LEU B 24 14.079 -13.312 -15.496 1.00 0.00 H new ATOM 0 HD11 LEU B 24 14.363 -11.993 -13.419 1.00 0.00 H new ATOM 0 HD12 LEU B 24 15.815 -11.916 -14.446 1.00 0.00 H new ATOM 0 HD13 LEU B 24 14.687 -10.540 -14.395 1.00 0.00 H new ATOM 0 HD21 LEU B 24 12.143 -12.175 -14.408 1.00 0.00 H new ATOM 0 HD22 LEU B 24 12.441 -10.734 -15.409 1.00 0.00 H new ATOM 0 HD23 LEU B 24 11.936 -12.260 -16.173 1.00 0.00 H new ATOM 368 N GLU B 25 14.570 -11.717 -20.112 1.00 0.00 N ATOM 369 CA GLU B 25 14.205 -11.206 -21.423 1.00 0.00 C ATOM 370 C GLU B 25 13.845 -12.358 -22.345 1.00 0.00 C ATOM 371 O GLU B 25 13.053 -12.213 -23.273 1.00 0.00 O ATOM 372 CB GLU B 25 15.384 -10.462 -22.047 1.00 0.00 C ATOM 373 CG GLU B 25 15.623 -9.167 -21.298 1.00 0.00 C ATOM 374 CD GLU B 25 16.706 -8.323 -21.970 1.00 0.00 C ATOM 375 OE1 GLU B 25 17.896 -8.660 -21.801 1.00 0.00 O ATOM 376 OE2 GLU B 25 16.326 -7.342 -22.651 1.00 0.00 O ATOM 0 H GLU B 25 15.574 -11.797 -19.953 1.00 0.00 H new ATOM 0 HA GLU B 25 13.356 -10.533 -21.300 1.00 0.00 H new ATOM 0 HB2 GLU B 25 16.279 -11.084 -22.013 1.00 0.00 H new ATOM 0 HB3 GLU B 25 15.181 -10.254 -23.097 1.00 0.00 H new ATOM 0 HG2 GLU B 25 14.695 -8.598 -21.248 1.00 0.00 H new ATOM 0 HG3 GLU B 25 15.917 -9.388 -20.272 1.00 0.00 H new ATOM 383 N ALA B 26 14.445 -13.514 -22.073 1.00 0.00 N ATOM 384 CA ALA B 26 14.306 -14.699 -22.898 1.00 0.00 C ATOM 385 C ALA B 26 13.021 -15.446 -22.584 1.00 0.00 C ATOM 386 O ALA B 26 12.534 -16.217 -23.409 1.00 0.00 O ATOM 387 CB ALA B 26 15.503 -15.599 -22.632 1.00 0.00 C ATOM 0 H ALA B 26 15.048 -13.650 -21.262 1.00 0.00 H new ATOM 0 HA ALA B 26 14.265 -14.405 -23.947 1.00 0.00 H new ATOM 0 HB1 ALA B 26 15.424 -16.500 -23.241 1.00 0.00 H new ATOM 0 HB2 ALA B 26 16.421 -15.069 -22.886 1.00 0.00 H new ATOM 0 HB3 ALA B 26 15.524 -15.875 -21.578 1.00 0.00 H new ATOM 393 N VAL B 27 12.469 -15.224 -21.388 1.00 0.00 N ATOM 394 CA VAL B 27 11.298 -15.949 -20.921 1.00 0.00 C ATOM 395 C VAL B 27 10.025 -15.119 -21.005 1.00 0.00 C ATOM 396 O VAL B 27 8.957 -15.634 -21.312 1.00 0.00 O ATOM 397 CB VAL B 27 11.578 -16.381 -19.496 1.00 0.00 C ATOM 398 CG1 VAL B 27 11.490 -15.231 -18.515 1.00 0.00 C ATOM 399 CG2 VAL B 27 10.604 -17.453 -19.040 1.00 0.00 C ATOM 0 H VAL B 27 12.825 -14.538 -20.723 1.00 0.00 H new ATOM 0 HA VAL B 27 11.123 -16.812 -21.563 1.00 0.00 H new ATOM 0 HB VAL B 27 12.596 -16.771 -19.505 1.00 0.00 H new ATOM 0 HG11 VAL B 27 11.699 -15.594 -17.509 1.00 0.00 H new ATOM 0 HG12 VAL B 27 12.219 -14.467 -18.784 1.00 0.00 H new ATOM 0 HG13 VAL B 27 10.488 -14.803 -18.545 1.00 0.00 H new ATOM 0 HG21 VAL B 27 10.833 -17.740 -18.014 1.00 0.00 H new ATOM 0 HG22 VAL B 27 9.587 -17.065 -19.090 1.00 0.00 H new ATOM 0 HG23 VAL B 27 10.692 -18.324 -19.689 1.00 0.00 H new ATOM 409 N PHE B 28 10.140 -13.821 -20.730 1.00 0.00 N ATOM 410 CA PHE B 28 9.002 -12.926 -20.864 1.00 0.00 C ATOM 411 C PHE B 28 8.947 -12.325 -22.265 1.00 0.00 C ATOM 412 O PHE B 28 7.946 -11.719 -22.637 1.00 0.00 O ATOM 413 CB PHE B 28 9.028 -11.857 -19.782 1.00 0.00 C ATOM 414 CG PHE B 28 8.759 -12.411 -18.403 1.00 0.00 C ATOM 415 CD1 PHE B 28 7.443 -12.628 -17.970 1.00 0.00 C ATOM 416 CD2 PHE B 28 9.826 -12.724 -17.553 1.00 0.00 C ATOM 417 CE1 PHE B 28 7.204 -13.163 -16.695 1.00 0.00 C ATOM 418 CE2 PHE B 28 9.589 -13.261 -16.281 1.00 0.00 C ATOM 419 CZ PHE B 28 8.276 -13.476 -15.852 1.00 0.00 C ATOM 0 H PHE B 28 11.001 -13.373 -20.417 1.00 0.00 H new ATOM 0 HA PHE B 28 8.087 -13.502 -20.726 1.00 0.00 H new ATOM 0 HB2 PHE B 28 10.001 -11.365 -19.787 1.00 0.00 H new ATOM 0 HB3 PHE B 28 8.284 -11.095 -20.013 1.00 0.00 H new ATOM 0 HD1 PHE B 28 6.614 -12.383 -18.617 1.00 0.00 H new ATOM 0 HD2 PHE B 28 10.840 -12.550 -17.880 1.00 0.00 H new ATOM 0 HE1 PHE B 28 6.190 -13.334 -16.364 1.00 0.00 H new ATOM 0 HE2 PHE B 28 10.418 -13.508 -15.634 1.00 0.00 H new ATOM 0 HZ PHE B 28 8.089 -13.884 -14.870 1.00 0.00 H new ATOM 429 N GLY B 29 10.015 -12.495 -23.051 1.00 0.00 N ATOM 430 CA GLY B 29 10.016 -12.026 -24.431 1.00 0.00 C ATOM 431 C GLY B 29 9.191 -12.958 -25.312 1.00 0.00 C ATOM 432 O GLY B 29 9.014 -12.712 -26.502 1.00 0.00 O ATOM 0 H GLY B 29 10.879 -12.949 -22.755 1.00 0.00 H new ATOM 0 HA2 GLY B 29 9.609 -11.016 -24.478 1.00 0.00 H new ATOM 0 HA3 GLY B 29 11.039 -11.975 -24.803 1.00 0.00 H new ATOM 436 N LYS B 30 8.685 -14.034 -24.707 1.00 0.00 N ATOM 437 CA LYS B 30 7.886 -15.053 -25.365 1.00 0.00 C ATOM 438 C LYS B 30 6.433 -14.609 -25.486 1.00 0.00 C ATOM 439 O LYS B 30 5.648 -15.230 -26.203 1.00 0.00 O ATOM 440 CB LYS B 30 7.983 -16.331 -24.529 1.00 0.00 C ATOM 441 CG LYS B 30 9.448 -16.737 -24.351 1.00 0.00 C ATOM 442 CD LYS B 30 9.623 -17.929 -23.404 1.00 0.00 C ATOM 443 CE LYS B 30 8.759 -19.127 -23.787 1.00 0.00 C ATOM 444 NZ LYS B 30 9.125 -19.665 -25.113 1.00 0.00 N ATOM 0 H LYS B 30 8.828 -14.220 -23.714 1.00 0.00 H new ATOM 0 HA LYS B 30 8.259 -15.226 -26.374 1.00 0.00 H new ATOM 0 HB2 LYS B 30 7.521 -16.173 -23.555 1.00 0.00 H new ATOM 0 HB3 LYS B 30 7.432 -17.135 -25.016 1.00 0.00 H new ATOM 0 HG2 LYS B 30 9.872 -16.986 -25.324 1.00 0.00 H new ATOM 0 HG3 LYS B 30 10.012 -15.887 -23.966 1.00 0.00 H new ATOM 0 HD2 LYS B 30 10.670 -18.231 -23.398 1.00 0.00 H new ATOM 0 HD3 LYS B 30 9.375 -17.619 -22.389 1.00 0.00 H new ATOM 0 HE2 LYS B 30 8.867 -19.909 -23.035 1.00 0.00 H new ATOM 0 HE3 LYS B 30 7.710 -18.832 -23.791 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 8.528 -20.488 -25.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 8.982 -18.932 -25.837 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 10.124 -19.954 -25.107 1.00 0.00 H new ATOM 458 N TYR B 31 6.093 -13.532 -24.781 1.00 0.00 N ATOM 459 CA TYR B 31 4.741 -13.002 -24.747 1.00 0.00 C ATOM 460 C TYR B 31 4.616 -11.645 -25.439 1.00 0.00 C ATOM 461 O TYR B 31 3.509 -11.250 -25.802 1.00 0.00 O ATOM 462 CB TYR B 31 4.319 -12.909 -23.287 1.00 0.00 C ATOM 463 CG TYR B 31 4.393 -14.236 -22.566 1.00 0.00 C ATOM 464 CD1 TYR B 31 3.402 -15.200 -22.787 1.00 0.00 C ATOM 465 CD2 TYR B 31 5.457 -14.498 -21.686 1.00 0.00 C ATOM 466 CE1 TYR B 31 3.485 -16.446 -22.154 1.00 0.00 C ATOM 467 CE2 TYR B 31 5.541 -15.742 -21.038 1.00 0.00 C ATOM 468 CZ TYR B 31 4.568 -16.733 -21.300 1.00 0.00 C ATOM 469 OH TYR B 31 4.665 -17.966 -20.733 1.00 0.00 O ATOM 0 H TYR B 31 6.756 -13.002 -24.215 1.00 0.00 H new ATOM 0 HA TYR B 31 4.084 -13.673 -25.301 1.00 0.00 H new ATOM 0 HB2 TYR B 31 4.956 -12.188 -22.775 1.00 0.00 H new ATOM 0 HB3 TYR B 31 3.299 -12.528 -23.233 1.00 0.00 H new ATOM 0 HD1 TYR B 31 2.574 -14.983 -23.445 1.00 0.00 H new ATOM 0 HD2 TYR B 31 6.209 -13.744 -21.508 1.00 0.00 H new ATOM 0 HE1 TYR B 31 2.718 -17.188 -22.321 1.00 0.00 H new ATOM 0 HE2 TYR B 31 6.344 -15.940 -20.344 1.00 0.00 H new ATOM 0 HH TYR B 31 5.609 -18.187 -20.590 1.00 0.00 H new ATOM 479 N GLY B 32 5.728 -10.930 -25.624 1.00 0.00 N ATOM 480 CA GLY B 32 5.707 -9.622 -26.258 1.00 0.00 C ATOM 481 C GLY B 32 7.094 -9.040 -26.426 1.00 0.00 C ATOM 482 O GLY B 32 8.061 -9.528 -25.843 1.00 0.00 O ATOM 0 H GLY B 32 6.656 -11.242 -25.340 1.00 0.00 H new ATOM 0 HA2 GLY B 32 5.229 -9.702 -27.234 1.00 0.00 H new ATOM 0 HA3 GLY B 32 5.100 -8.941 -25.661 1.00 0.00 H new ATOM 486 N ARG B 33 7.184 -7.985 -27.239 1.00 0.00 N ATOM 487 CA ARG B 33 8.434 -7.306 -27.464 1.00 0.00 C ATOM 488 C ARG B 33 8.774 -6.493 -26.229 1.00 0.00 C ATOM 489 O ARG B 33 8.049 -5.576 -25.850 1.00 0.00 O ATOM 490 CB ARG B 33 8.312 -6.442 -28.716 1.00 0.00 C ATOM 491 CG ARG B 33 9.686 -6.291 -29.347 1.00 0.00 C ATOM 492 CD ARG B 33 9.578 -5.491 -30.644 1.00 0.00 C ATOM 493 NE ARG B 33 10.862 -5.459 -31.354 1.00 0.00 N ATOM 494 CZ ARG B 33 11.811 -4.534 -31.181 1.00 0.00 C ATOM 495 NH1 ARG B 33 11.642 -3.518 -30.341 1.00 0.00 N ATOM 496 NH2 ARG B 33 12.951 -4.627 -31.859 1.00 0.00 N ATOM 0 H ARG B 33 6.393 -7.591 -27.749 1.00 0.00 H new ATOM 0 HA ARG B 33 9.246 -8.013 -27.632 1.00 0.00 H new ATOM 0 HB2 ARG B 33 7.621 -6.900 -29.424 1.00 0.00 H new ATOM 0 HB3 ARG B 33 7.905 -5.464 -28.460 1.00 0.00 H new ATOM 0 HG2 ARG B 33 10.360 -5.788 -28.654 1.00 0.00 H new ATOM 0 HG3 ARG B 33 10.112 -7.273 -29.550 1.00 0.00 H new ATOM 0 HD2 ARG B 33 8.815 -5.933 -31.285 1.00 0.00 H new ATOM 0 HD3 ARG B 33 9.257 -4.474 -30.422 1.00 0.00 H new ATOM 0 HE ARG B 33 11.044 -6.199 -32.031 1.00 0.00 H new ATOM 0 HH11 ARG B 33 10.774 -3.432 -29.812 1.00 0.00 H new ATOM 0 HH12 ARG B 33 12.380 -2.824 -30.225 1.00 0.00 H new ATOM 0 HH21 ARG B 33 13.097 -5.401 -32.507 1.00 0.00 H new ATOM 0 HH22 ARG B 33 13.679 -3.924 -31.731 1.00 0.00 H new ATOM 510 N ILE B 34 9.892 -6.844 -25.605 1.00 0.00 N ATOM 511 CA ILE B 34 10.387 -6.163 -24.420 1.00 0.00 C ATOM 512 C ILE B 34 11.021 -4.829 -24.795 1.00 0.00 C ATOM 513 O ILE B 34 11.683 -4.715 -25.825 1.00 0.00 O ATOM 514 CB ILE B 34 11.373 -7.087 -23.698 1.00 0.00 C ATOM 515 CG1 ILE B 34 10.591 -8.311 -23.203 1.00 0.00 C ATOM 516 CG2 ILE B 34 12.056 -6.359 -22.539 1.00 0.00 C ATOM 517 CD1 ILE B 34 11.456 -9.255 -22.369 1.00 0.00 C ATOM 0 H ILE B 34 10.484 -7.616 -25.912 1.00 0.00 H new ATOM 0 HA ILE B 34 9.562 -5.938 -23.743 1.00 0.00 H new ATOM 0 HB ILE B 34 12.163 -7.402 -24.379 1.00 0.00 H new ATOM 0 HG12 ILE B 34 9.741 -7.979 -22.607 1.00 0.00 H new ATOM 0 HG13 ILE B 34 10.188 -8.852 -24.059 1.00 0.00 H new ATOM 0 HG21 ILE B 34 12.751 -7.036 -22.043 1.00 0.00 H new ATOM 0 HG22 ILE B 34 12.601 -5.496 -22.922 1.00 0.00 H new ATOM 0 HG23 ILE B 34 11.303 -6.025 -21.825 1.00 0.00 H new ATOM 0 HD11 ILE B 34 10.857 -10.105 -22.043 1.00 0.00 H new ATOM 0 HD12 ILE B 34 12.292 -9.610 -22.972 1.00 0.00 H new ATOM 0 HD13 ILE B 34 11.838 -8.724 -21.497 1.00 0.00 H new ATOM 529 N VAL B 35 10.813 -3.821 -23.942 1.00 0.00 N ATOM 530 CA VAL B 35 11.421 -2.506 -24.097 1.00 0.00 C ATOM 531 C VAL B 35 12.426 -2.256 -22.975 1.00 0.00 C ATOM 532 O VAL B 35 13.323 -1.429 -23.127 1.00 0.00 O ATOM 533 CB VAL B 35 10.360 -1.392 -24.132 1.00 0.00 C ATOM 534 CG1 VAL B 35 10.458 -0.654 -25.462 1.00 0.00 C ATOM 535 CG2 VAL B 35 8.926 -1.893 -23.964 1.00 0.00 C ATOM 0 H VAL B 35 10.213 -3.900 -23.121 1.00 0.00 H new ATOM 0 HA VAL B 35 11.945 -2.489 -25.053 1.00 0.00 H new ATOM 0 HB VAL B 35 10.572 -0.741 -23.284 1.00 0.00 H new ATOM 0 HG11 VAL B 35 9.709 0.137 -25.495 1.00 0.00 H new ATOM 0 HG12 VAL B 35 11.452 -0.218 -25.564 1.00 0.00 H new ATOM 0 HG13 VAL B 35 10.283 -1.353 -26.280 1.00 0.00 H new ATOM 0 HG21 VAL B 35 8.239 -1.048 -24.000 1.00 0.00 H new ATOM 0 HG22 VAL B 35 8.687 -2.589 -24.768 1.00 0.00 H new ATOM 0 HG23 VAL B 35 8.828 -2.400 -23.004 1.00 0.00 H new ATOM 545 N GLU B 36 12.281 -2.969 -21.853 1.00 0.00 N ATOM 546 CA GLU B 36 13.190 -2.863 -20.723 1.00 0.00 C ATOM 547 C GLU B 36 13.039 -4.084 -19.819 1.00 0.00 C ATOM 548 O GLU B 36 11.961 -4.664 -19.738 1.00 0.00 O ATOM 549 CB GLU B 36 12.868 -1.579 -19.955 1.00 0.00 C ATOM 550 CG GLU B 36 13.795 -1.388 -18.756 1.00 0.00 C ATOM 551 CD GLU B 36 13.560 -0.039 -18.080 1.00 0.00 C ATOM 552 OE1 GLU B 36 14.169 0.953 -18.539 1.00 0.00 O ATOM 553 OE2 GLU B 36 12.773 -0.008 -17.106 1.00 0.00 O ATOM 0 H GLU B 36 11.524 -3.637 -21.709 1.00 0.00 H new ATOM 0 HA GLU B 36 14.222 -2.826 -21.073 1.00 0.00 H new ATOM 0 HB2 GLU B 36 12.958 -0.723 -20.624 1.00 0.00 H new ATOM 0 HB3 GLU B 36 11.833 -1.609 -19.613 1.00 0.00 H new ATOM 0 HG2 GLU B 36 13.632 -2.191 -18.037 1.00 0.00 H new ATOM 0 HG3 GLU B 36 14.833 -1.458 -19.082 1.00 0.00 H new ATOM 560 N VAL B 37 14.114 -4.481 -19.132 1.00 0.00 N ATOM 561 CA VAL B 37 14.049 -5.511 -18.105 1.00 0.00 C ATOM 562 C VAL B 37 14.865 -5.091 -16.893 1.00 0.00 C ATOM 563 O VAL B 37 15.892 -4.428 -17.009 1.00 0.00 O ATOM 564 CB VAL B 37 14.490 -6.881 -18.649 1.00 0.00 C ATOM 565 CG1 VAL B 37 15.114 -7.776 -17.576 1.00 0.00 C ATOM 566 CG2 VAL B 37 13.263 -7.619 -19.177 1.00 0.00 C ATOM 0 H VAL B 37 15.048 -4.096 -19.275 1.00 0.00 H new ATOM 0 HA VAL B 37 13.011 -5.623 -17.792 1.00 0.00 H new ATOM 0 HB VAL B 37 15.234 -6.687 -19.421 1.00 0.00 H new ATOM 0 HG11 VAL B 37 15.405 -8.728 -18.020 1.00 0.00 H new ATOM 0 HG12 VAL B 37 15.994 -7.286 -17.160 1.00 0.00 H new ATOM 0 HG13 VAL B 37 14.388 -7.953 -16.782 1.00 0.00 H new ATOM 0 HG21 VAL B 37 13.563 -8.592 -19.566 1.00 0.00 H new ATOM 0 HG22 VAL B 37 12.545 -7.757 -18.368 1.00 0.00 H new ATOM 0 HG23 VAL B 37 12.803 -7.036 -19.975 1.00 0.00 H new ATOM 576 N LEU B 38 14.375 -5.504 -15.726 1.00 0.00 N ATOM 577 CA LEU B 38 15.039 -5.311 -14.447 1.00 0.00 C ATOM 578 C LEU B 38 15.271 -6.669 -13.820 1.00 0.00 C ATOM 579 O LEU B 38 14.558 -7.627 -14.104 1.00 0.00 O ATOM 580 CB LEU B 38 14.131 -4.481 -13.549 1.00 0.00 C ATOM 581 CG LEU B 38 14.463 -2.986 -13.562 1.00 0.00 C ATOM 582 CD1 LEU B 38 13.419 -2.231 -12.748 1.00 0.00 C ATOM 583 CD2 LEU B 38 15.821 -2.697 -12.939 1.00 0.00 C ATOM 0 H LEU B 38 13.484 -5.993 -15.646 1.00 0.00 H new ATOM 0 HA LEU B 38 15.991 -4.798 -14.578 1.00 0.00 H new ATOM 0 HB2 LEU B 38 13.097 -4.618 -13.864 1.00 0.00 H new ATOM 0 HB3 LEU B 38 14.205 -4.853 -12.527 1.00 0.00 H new ATOM 0 HG LEU B 38 14.473 -2.668 -14.604 1.00 0.00 H new ATOM 0 HD11 LEU B 38 13.652 -1.166 -12.755 1.00 0.00 H new ATOM 0 HD12 LEU B 38 12.433 -2.389 -13.185 1.00 0.00 H new ATOM 0 HD13 LEU B 38 13.424 -2.597 -11.721 1.00 0.00 H new ATOM 0 HD21 LEU B 38 16.015 -1.625 -12.970 1.00 0.00 H new ATOM 0 HD22 LEU B 38 15.826 -3.037 -11.903 1.00 0.00 H new ATOM 0 HD23 LEU B 38 16.596 -3.222 -13.497 1.00 0.00 H new ATOM 595 N LEU B 39 16.278 -6.746 -12.961 1.00 0.00 N ATOM 596 CA LEU B 39 16.511 -7.907 -12.141 1.00 0.00 C ATOM 597 C LEU B 39 17.223 -7.400 -10.903 1.00 0.00 C ATOM 598 O LEU B 39 18.320 -6.852 -10.999 1.00 0.00 O ATOM 599 CB LEU B 39 17.345 -8.905 -12.943 1.00 0.00 C ATOM 600 CG LEU B 39 17.673 -10.233 -12.260 1.00 0.00 C ATOM 601 CD1 LEU B 39 18.863 -10.119 -11.316 1.00 0.00 C ATOM 602 CD2 LEU B 39 16.512 -10.846 -11.494 1.00 0.00 C ATOM 0 H LEU B 39 16.955 -5.996 -12.819 1.00 0.00 H new ATOM 0 HA LEU B 39 15.600 -8.427 -11.845 1.00 0.00 H new ATOM 0 HB2 LEU B 39 16.816 -9.122 -13.871 1.00 0.00 H new ATOM 0 HB3 LEU B 39 18.283 -8.422 -13.216 1.00 0.00 H new ATOM 0 HG LEU B 39 17.915 -10.896 -13.091 1.00 0.00 H new ATOM 0 HD11 LEU B 39 19.056 -11.088 -10.856 1.00 0.00 H new ATOM 0 HD12 LEU B 39 19.743 -9.801 -11.876 1.00 0.00 H new ATOM 0 HD13 LEU B 39 18.643 -9.386 -10.540 1.00 0.00 H new ATOM 0 HD21 LEU B 39 16.830 -11.785 -11.041 1.00 0.00 H new ATOM 0 HD22 LEU B 39 16.187 -10.158 -10.713 1.00 0.00 H new ATOM 0 HD23 LEU B 39 15.685 -11.035 -12.178 1.00 0.00 H new ATOM 614 N MET B 40 16.603 -7.578 -9.739 1.00 0.00 N ATOM 615 CA MET B 40 17.106 -6.936 -8.541 1.00 0.00 C ATOM 616 C MET B 40 18.081 -7.858 -7.833 1.00 0.00 C ATOM 617 O MET B 40 17.841 -9.063 -7.764 1.00 0.00 O ATOM 618 CB MET B 40 15.951 -6.519 -7.624 1.00 0.00 C ATOM 619 CG MET B 40 14.775 -5.863 -8.360 1.00 0.00 C ATOM 620 SD MET B 40 15.145 -4.921 -9.865 1.00 0.00 S ATOM 621 CE MET B 40 16.308 -3.691 -9.222 1.00 0.00 C ATOM 0 H MET B 40 15.769 -8.150 -9.606 1.00 0.00 H new ATOM 0 HA MET B 40 17.640 -6.028 -8.819 1.00 0.00 H new ATOM 0 HB2 MET B 40 15.588 -7.398 -7.091 1.00 0.00 H new ATOM 0 HB3 MET B 40 16.329 -5.825 -6.873 1.00 0.00 H new ATOM 0 HG2 MET B 40 14.063 -6.646 -8.621 1.00 0.00 H new ATOM 0 HG3 MET B 40 14.272 -5.195 -7.661 1.00 0.00 H new ATOM 0 HE1 MET B 40 15.988 -2.694 -9.525 1.00 0.00 H new ATOM 0 HE2 MET B 40 16.334 -3.749 -8.134 1.00 0.00 H new ATOM 0 HE3 MET B 40 17.303 -3.889 -9.620 1.00 0.00 H new ATOM 631 N LYS B 41 19.179 -7.310 -7.303 1.00 0.00 N ATOM 632 CA LYS B 41 20.117 -8.113 -6.542 1.00 0.00 C ATOM 633 C LYS B 41 20.572 -7.423 -5.269 1.00 0.00 C ATOM 634 O LYS B 41 20.595 -6.195 -5.176 1.00 0.00 O ATOM 635 CB LYS B 41 21.315 -8.569 -7.368 1.00 0.00 C ATOM 636 CG LYS B 41 21.127 -8.466 -8.882 1.00 0.00 C ATOM 637 CD LYS B 41 22.442 -8.815 -9.573 1.00 0.00 C ATOM 638 CE LYS B 41 22.312 -8.596 -11.075 1.00 0.00 C ATOM 639 NZ LYS B 41 23.582 -8.867 -11.769 1.00 0.00 N ATOM 0 H LYS B 41 19.431 -6.325 -7.390 1.00 0.00 H new ATOM 0 HA LYS B 41 19.564 -9.007 -6.255 1.00 0.00 H new ATOM 0 HB2 LYS B 41 22.183 -7.974 -7.083 1.00 0.00 H new ATOM 0 HB3 LYS B 41 21.541 -9.605 -7.114 1.00 0.00 H new ATOM 0 HG2 LYS B 41 20.338 -9.143 -9.210 1.00 0.00 H new ATOM 0 HG3 LYS B 41 20.815 -7.458 -9.155 1.00 0.00 H new ATOM 0 HD2 LYS B 41 23.247 -8.198 -9.175 1.00 0.00 H new ATOM 0 HD3 LYS B 41 22.706 -9.853 -9.369 1.00 0.00 H new ATOM 0 HE2 LYS B 41 21.532 -9.246 -11.473 1.00 0.00 H new ATOM 0 HE3 LYS B 41 22.001 -7.569 -11.269 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 23.460 -8.709 -12.790 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 24.319 -8.230 -11.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 23.865 -9.854 -11.603 1.00 0.00 H new ATOM 765 N ARG B 49 17.726 -10.591 -5.452 1.00 0.00 N ATOM 766 CA ARG B 49 16.805 -10.295 -4.364 1.00 0.00 C ATOM 767 C ARG B 49 15.631 -11.261 -4.443 1.00 0.00 C ATOM 768 O ARG B 49 14.778 -11.279 -3.558 1.00 0.00 O ATOM 769 CB ARG B 49 16.300 -8.858 -4.477 1.00 0.00 C ATOM 770 CG ARG B 49 17.445 -7.850 -4.493 1.00 0.00 C ATOM 771 CD ARG B 49 17.625 -7.133 -3.163 1.00 0.00 C ATOM 772 NE ARG B 49 18.046 -8.041 -2.087 1.00 0.00 N ATOM 773 CZ ARG B 49 17.304 -8.369 -1.025 1.00 0.00 C ATOM 774 NH1 ARG B 49 16.059 -7.918 -0.885 1.00 0.00 N ATOM 775 NH2 ARG B 49 17.812 -9.159 -0.084 1.00 0.00 N ATOM 0 HA ARG B 49 17.318 -10.408 -3.409 1.00 0.00 H new ATOM 0 HB2 ARG B 49 15.710 -8.751 -5.387 1.00 0.00 H new ATOM 0 HB3 ARG B 49 15.637 -8.640 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG B 49 18.371 -8.364 -4.750 1.00 0.00 H new ATOM 0 HG3 ARG B 49 17.262 -7.113 -5.275 1.00 0.00 H new ATOM 0 HD2 ARG B 49 18.366 -6.342 -3.278 1.00 0.00 H new ATOM 0 HD3 ARG B 49 16.687 -6.653 -2.883 1.00 0.00 H new ATOM 0 HE ARG B 49 18.977 -8.453 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG B 49 15.654 -7.310 -1.596 1.00 0.00 H new ATOM 0 HH12 ARG B 49 15.510 -8.181 -0.066 1.00 0.00 H new ATOM 0 HH21 ARG B 49 18.765 -9.512 -0.174 1.00 0.00 H new ATOM 0 HH22 ARG B 49 17.249 -9.412 0.728 1.00 0.00 H new ATOM 789 N GLY B 50 15.603 -12.065 -5.512 1.00 0.00 N ATOM 790 CA GLY B 50 14.534 -13.018 -5.748 1.00 0.00 C ATOM 791 C GLY B 50 13.321 -12.352 -6.398 1.00 0.00 C ATOM 792 O GLY B 50 12.296 -13.003 -6.568 1.00 0.00 O ATOM 0 H GLY B 50 16.325 -12.067 -6.233 1.00 0.00 H new ATOM 0 HA2 GLY B 50 14.897 -13.821 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY B 50 14.237 -13.474 -4.804 1.00 0.00 H new ATOM 796 N PHE B 51 13.416 -11.070 -6.765 1.00 0.00 N ATOM 797 CA PHE B 51 12.335 -10.399 -7.471 1.00 0.00 C ATOM 798 C PHE B 51 12.904 -9.521 -8.580 1.00 0.00 C ATOM 799 O PHE B 51 14.069 -9.130 -8.530 1.00 0.00 O ATOM 800 CB PHE B 51 11.448 -9.619 -6.494 1.00 0.00 C ATOM 801 CG PHE B 51 12.049 -8.348 -5.935 1.00 0.00 C ATOM 802 CD1 PHE B 51 12.955 -8.391 -4.865 1.00 0.00 C ATOM 803 CD2 PHE B 51 11.680 -7.113 -6.484 1.00 0.00 C ATOM 804 CE1 PHE B 51 13.491 -7.201 -4.350 1.00 0.00 C ATOM 805 CE2 PHE B 51 12.199 -5.927 -5.957 1.00 0.00 C ATOM 806 CZ PHE B 51 13.111 -5.972 -4.902 1.00 0.00 C ATOM 0 H PHE B 51 14.230 -10.483 -6.583 1.00 0.00 H new ATOM 0 HA PHE B 51 11.693 -11.143 -7.943 1.00 0.00 H new ATOM 0 HB2 PHE B 51 10.516 -9.367 -7.000 1.00 0.00 H new ATOM 0 HB3 PHE B 51 11.192 -10.275 -5.662 1.00 0.00 H new ATOM 0 HD1 PHE B 51 13.240 -9.341 -4.437 1.00 0.00 H new ATOM 0 HD2 PHE B 51 10.993 -7.077 -7.316 1.00 0.00 H new ATOM 0 HE1 PHE B 51 14.194 -7.233 -3.531 1.00 0.00 H new ATOM 0 HE2 PHE B 51 11.894 -4.975 -6.367 1.00 0.00 H new ATOM 0 HZ PHE B 51 13.525 -5.055 -4.510 1.00 0.00 H new ATOM 816 N ALA B 52 12.081 -9.218 -9.583 1.00 0.00 N ATOM 817 CA ALA B 52 12.521 -8.493 -10.758 1.00 0.00 C ATOM 818 C ALA B 52 11.349 -7.782 -11.428 1.00 0.00 C ATOM 819 O ALA B 52 10.218 -7.857 -10.950 1.00 0.00 O ATOM 820 CB ALA B 52 13.138 -9.504 -11.718 1.00 0.00 C ATOM 0 H ALA B 52 11.093 -9.471 -9.597 1.00 0.00 H new ATOM 0 HA ALA B 52 13.249 -7.732 -10.477 1.00 0.00 H new ATOM 0 HB1 ALA B 52 13.481 -8.990 -12.616 1.00 0.00 H new ATOM 0 HB2 ALA B 52 13.983 -9.995 -11.236 1.00 0.00 H new ATOM 0 HB3 ALA B 52 12.392 -10.250 -11.989 1.00 0.00 H new ATOM 826 N PHE B 53 11.621 -7.091 -12.537 1.00 0.00 N ATOM 827 CA PHE B 53 10.602 -6.381 -13.294 1.00 0.00 C ATOM 828 C PHE B 53 10.883 -6.492 -14.789 1.00 0.00 C ATOM 829 O PHE B 53 11.992 -6.823 -15.200 1.00 0.00 O ATOM 830 CB PHE B 53 10.541 -4.913 -12.866 1.00 0.00 C ATOM 831 CG PHE B 53 10.277 -4.698 -11.402 1.00 0.00 C ATOM 832 CD1 PHE B 53 11.325 -4.853 -10.488 1.00 0.00 C ATOM 833 CD2 PHE B 53 8.996 -4.345 -10.957 1.00 0.00 C ATOM 834 CE1 PHE B 53 11.087 -4.682 -9.120 1.00 0.00 C ATOM 835 CE2 PHE B 53 8.758 -4.175 -9.587 1.00 0.00 C ATOM 836 CZ PHE B 53 9.801 -4.354 -8.670 1.00 0.00 C ATOM 0 H PHE B 53 12.558 -7.011 -12.932 1.00 0.00 H new ATOM 0 HA PHE B 53 9.634 -6.837 -13.088 1.00 0.00 H new ATOM 0 HB2 PHE B 53 11.485 -4.433 -13.126 1.00 0.00 H new ATOM 0 HB3 PHE B 53 9.761 -4.413 -13.440 1.00 0.00 H new ATOM 0 HD1 PHE B 53 12.315 -5.104 -10.838 1.00 0.00 H new ATOM 0 HD2 PHE B 53 8.195 -4.204 -11.668 1.00 0.00 H new ATOM 0 HE1 PHE B 53 11.893 -4.803 -8.412 1.00 0.00 H new ATOM 0 HE2 PHE B 53 7.772 -3.906 -9.239 1.00 0.00 H new ATOM 0 HZ PHE B 53 9.614 -4.239 -7.613 1.00 0.00 H new ATOM 846 N VAL B 54 9.876 -6.212 -15.617 1.00 0.00 N ATOM 847 CA VAL B 54 10.026 -6.217 -17.067 1.00 0.00 C ATOM 848 C VAL B 54 8.998 -5.285 -17.681 1.00 0.00 C ATOM 849 O VAL B 54 7.868 -5.230 -17.210 1.00 0.00 O ATOM 850 CB VAL B 54 9.872 -7.641 -17.620 1.00 0.00 C ATOM 851 CG1 VAL B 54 8.631 -8.334 -17.125 1.00 0.00 C ATOM 852 CG2 VAL B 54 9.878 -7.670 -19.146 1.00 0.00 C ATOM 0 H VAL B 54 8.936 -5.976 -15.299 1.00 0.00 H new ATOM 0 HA VAL B 54 11.024 -5.866 -17.328 1.00 0.00 H new ATOM 0 HB VAL B 54 10.741 -8.182 -17.245 1.00 0.00 H new ATOM 0 HG11 VAL B 54 8.579 -9.336 -17.551 1.00 0.00 H new ATOM 0 HG12 VAL B 54 8.662 -8.403 -16.038 1.00 0.00 H new ATOM 0 HG13 VAL B 54 7.752 -7.765 -17.427 1.00 0.00 H new ATOM 0 HG21 VAL B 54 9.767 -8.698 -19.491 1.00 0.00 H new ATOM 0 HG22 VAL B 54 9.051 -7.069 -19.525 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.820 -7.264 -19.514 1.00 0.00 H new ATOM 862 N THR B 55 9.392 -4.558 -18.726 1.00 0.00 N ATOM 863 CA THR B 55 8.487 -3.673 -19.441 1.00 0.00 C ATOM 864 C THR B 55 8.256 -4.190 -20.854 1.00 0.00 C ATOM 865 O THR B 55 9.204 -4.379 -21.614 1.00 0.00 O ATOM 866 CB THR B 55 9.010 -2.238 -19.467 1.00 0.00 C ATOM 867 OG1 THR B 55 9.288 -1.807 -18.151 1.00 0.00 O ATOM 868 CG2 THR B 55 7.939 -1.324 -20.067 1.00 0.00 C ATOM 0 H THR B 55 10.343 -4.569 -19.095 1.00 0.00 H new ATOM 0 HA THR B 55 7.535 -3.662 -18.910 1.00 0.00 H new ATOM 0 HB THR B 55 9.920 -2.198 -20.066 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.625 -0.887 -18.172 1.00 0.00 H new ATOM 0 HG21 THR B 55 8.307 -0.298 -20.088 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.711 -1.649 -21.082 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.036 -1.373 -19.459 1.00 0.00 H new ATOM 876 N PHE B 56 6.983 -4.410 -21.188 1.00 0.00 N ATOM 877 CA PHE B 56 6.559 -4.836 -22.510 1.00 0.00 C ATOM 878 C PHE B 56 6.179 -3.650 -23.387 1.00 0.00 C ATOM 879 O PHE B 56 5.835 -2.582 -22.880 1.00 0.00 O ATOM 880 CB PHE B 56 5.350 -5.750 -22.357 1.00 0.00 C ATOM 881 CG PHE B 56 5.674 -7.126 -21.829 1.00 0.00 C ATOM 882 CD1 PHE B 56 6.191 -7.315 -20.539 1.00 0.00 C ATOM 883 CD2 PHE B 56 5.442 -8.227 -22.662 1.00 0.00 C ATOM 884 CE1 PHE B 56 6.470 -8.611 -20.086 1.00 0.00 C ATOM 885 CE2 PHE B 56 5.702 -9.519 -22.204 1.00 0.00 C ATOM 886 CZ PHE B 56 6.203 -9.713 -20.911 1.00 0.00 C ATOM 0 H PHE B 56 6.210 -4.293 -20.532 1.00 0.00 H new ATOM 0 HA PHE B 56 7.388 -5.357 -22.990 1.00 0.00 H new ATOM 0 HB2 PHE B 56 4.633 -5.276 -21.686 1.00 0.00 H new ATOM 0 HB3 PHE B 56 4.861 -5.851 -23.326 1.00 0.00 H new ATOM 0 HD1 PHE B 56 6.373 -6.465 -19.898 1.00 0.00 H new ATOM 0 HD2 PHE B 56 5.061 -8.076 -23.661 1.00 0.00 H new ATOM 0 HE1 PHE B 56 6.890 -8.761 -19.103 1.00 0.00 H new ATOM 0 HE2 PHE B 56 5.517 -10.368 -22.846 1.00 0.00 H new ATOM 0 HZ PHE B 56 6.384 -10.714 -20.548 1.00 0.00 H new ATOM 896 N GLU B 57 6.235 -3.834 -24.709 1.00 0.00 N ATOM 897 CA GLU B 57 5.793 -2.830 -25.657 1.00 0.00 C ATOM 898 C GLU B 57 4.268 -2.746 -25.705 1.00 0.00 C ATOM 899 O GLU B 57 3.731 -1.714 -26.110 1.00 0.00 O ATOM 900 CB GLU B 57 6.342 -3.186 -27.035 1.00 0.00 C ATOM 901 CG GLU B 57 7.770 -2.669 -27.213 1.00 0.00 C ATOM 902 CD GLU B 57 8.241 -2.720 -28.664 1.00 0.00 C ATOM 903 OE1 GLU B 57 7.379 -2.764 -29.570 1.00 0.00 O ATOM 904 OE2 GLU B 57 9.478 -2.715 -28.858 1.00 0.00 O ATOM 0 H GLU B 57 6.589 -4.686 -25.143 1.00 0.00 H new ATOM 0 HA GLU B 57 6.166 -1.855 -25.343 1.00 0.00 H new ATOM 0 HB2 GLU B 57 6.325 -4.268 -27.167 1.00 0.00 H new ATOM 0 HB3 GLU B 57 5.700 -2.760 -27.806 1.00 0.00 H new ATOM 0 HG2 GLU B 57 7.827 -1.642 -26.853 1.00 0.00 H new ATOM 0 HG3 GLU B 57 8.445 -3.261 -26.595 1.00 0.00 H new ATOM 911 N SER B 58 3.558 -3.808 -25.299 1.00 0.00 N ATOM 912 CA SER B 58 2.108 -3.774 -25.209 1.00 0.00 C ATOM 913 C SER B 58 1.666 -4.076 -23.786 1.00 0.00 C ATOM 914 O SER B 58 2.241 -4.948 -23.131 1.00 0.00 O ATOM 915 CB SER B 58 1.510 -4.764 -26.204 1.00 0.00 C ATOM 916 OG SER B 58 0.115 -4.875 -26.010 1.00 0.00 O ATOM 0 H SER B 58 3.974 -4.699 -25.029 1.00 0.00 H new ATOM 0 HA SER B 58 1.747 -2.777 -25.463 1.00 0.00 H new ATOM 0 HB2 SER B 58 1.717 -4.436 -27.223 1.00 0.00 H new ATOM 0 HB3 SER B 58 1.979 -5.740 -26.082 1.00 0.00 H new ATOM 0 HG SER B 58 -0.255 -5.512 -26.656 1.00 0.00 H new ATOM 922 N PRO B 59 0.644 -3.365 -23.295 1.00 0.00 N ATOM 923 CA PRO B 59 0.129 -3.539 -21.955 1.00 0.00 C ATOM 924 C PRO B 59 -0.717 -4.799 -21.867 1.00 0.00 C ATOM 925 O PRO B 59 -1.242 -5.086 -20.801 1.00 0.00 O ATOM 926 CB PRO B 59 -0.748 -2.317 -21.712 1.00 0.00 C ATOM 927 CG PRO B 59 -1.324 -2.085 -23.098 1.00 0.00 C ATOM 928 CD PRO B 59 -0.113 -2.337 -23.990 1.00 0.00 C ATOM 0 HA PRO B 59 0.930 -3.636 -21.222 1.00 0.00 H new ATOM 0 HB2 PRO B 59 -1.524 -2.509 -20.971 1.00 0.00 H new ATOM 0 HB3 PRO B 59 -0.173 -1.462 -21.357 1.00 0.00 H new ATOM 0 HG2 PRO B 59 -2.143 -2.769 -23.319 1.00 0.00 H new ATOM 0 HG3 PRO B 59 -1.713 -1.073 -23.214 1.00 0.00 H new ATOM 0 HD2 PRO B 59 -0.414 -2.669 -24.983 1.00 0.00 H new ATOM 0 HD3 PRO B 59 0.478 -1.431 -24.123 1.00 0.00 H new ATOM 936 N ALA B 60 -0.853 -5.545 -22.971 1.00 0.00 N ATOM 937 CA ALA B 60 -1.622 -6.777 -22.993 1.00 0.00 C ATOM 938 C ALA B 60 -0.744 -7.974 -23.348 1.00 0.00 C ATOM 939 O ALA B 60 -1.136 -9.115 -23.116 1.00 0.00 O ATOM 940 CB ALA B 60 -2.802 -6.621 -23.950 1.00 0.00 C ATOM 0 H ALA B 60 -0.431 -5.304 -23.868 1.00 0.00 H new ATOM 0 HA ALA B 60 -2.015 -6.973 -21.995 1.00 0.00 H new ATOM 0 HB1 ALA B 60 -3.380 -7.545 -23.968 1.00 0.00 H new ATOM 0 HB2 ALA B 60 -3.437 -5.801 -23.614 1.00 0.00 H new ATOM 0 HB3 ALA B 60 -2.432 -6.405 -24.952 1.00 0.00 H new ATOM 946 N ASP B 61 0.448 -7.727 -23.900 1.00 0.00 N ATOM 947 CA ASP B 61 1.430 -8.784 -24.063 1.00 0.00 C ATOM 948 C ASP B 61 1.973 -9.131 -22.682 1.00 0.00 C ATOM 949 O ASP B 61 2.388 -10.261 -22.427 1.00 0.00 O ATOM 950 CB ASP B 61 2.566 -8.298 -24.956 1.00 0.00 C ATOM 951 CG ASP B 61 2.181 -8.181 -26.431 1.00 0.00 C ATOM 952 OD1 ASP B 61 1.026 -8.522 -26.775 1.00 0.00 O ATOM 953 OD2 ASP B 61 3.057 -7.742 -27.210 1.00 0.00 O ATOM 0 H ASP B 61 0.747 -6.812 -24.236 1.00 0.00 H new ATOM 0 HA ASP B 61 0.975 -9.660 -24.526 1.00 0.00 H new ATOM 0 HB2 ASP B 61 2.906 -7.325 -24.600 1.00 0.00 H new ATOM 0 HB3 ASP B 61 3.408 -8.983 -24.863 1.00 0.00 H new ATOM 958 N ALA B 62 1.965 -8.142 -21.789 1.00 0.00 N ATOM 959 CA ALA B 62 2.370 -8.325 -20.414 1.00 0.00 C ATOM 960 C ALA B 62 1.281 -9.047 -19.623 1.00 0.00 C ATOM 961 O ALA B 62 1.583 -9.746 -18.661 1.00 0.00 O ATOM 962 CB ALA B 62 2.652 -6.955 -19.809 1.00 0.00 C ATOM 0 H ALA B 62 1.674 -7.190 -22.010 1.00 0.00 H new ATOM 0 HA ALA B 62 3.269 -8.940 -20.373 1.00 0.00 H new ATOM 0 HB1 ALA B 62 2.960 -7.072 -18.770 1.00 0.00 H new ATOM 0 HB2 ALA B 62 3.449 -6.466 -20.370 1.00 0.00 H new ATOM 0 HB3 ALA B 62 1.750 -6.345 -19.854 1.00 0.00 H new ATOM 968 N LYS B 63 0.018 -8.884 -20.027 1.00 0.00 N ATOM 969 CA LYS B 63 -1.091 -9.577 -19.381 1.00 0.00 C ATOM 970 C LYS B 63 -1.073 -11.036 -19.804 1.00 0.00 C ATOM 971 O LYS B 63 -1.364 -11.923 -19.009 1.00 0.00 O ATOM 972 CB LYS B 63 -2.419 -8.939 -19.789 1.00 0.00 C ATOM 973 CG LYS B 63 -2.470 -7.484 -19.329 1.00 0.00 C ATOM 974 CD LYS B 63 -3.727 -6.765 -19.834 1.00 0.00 C ATOM 975 CE LYS B 63 -4.991 -7.351 -19.200 1.00 0.00 C ATOM 976 NZ LYS B 63 -5.063 -7.043 -17.758 1.00 0.00 N ATOM 0 H LYS B 63 -0.258 -8.277 -20.799 1.00 0.00 H new ATOM 0 HA LYS B 63 -0.985 -9.503 -18.299 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -2.538 -8.990 -20.871 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -3.248 -9.495 -19.351 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -2.444 -7.447 -18.240 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -1.584 -6.959 -19.687 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -3.659 -5.702 -19.602 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -3.787 -6.851 -20.919 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -5.871 -6.951 -19.703 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -5.005 -8.431 -19.344 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -6.018 -7.255 -17.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -4.368 -7.621 -17.244 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -4.854 -6.035 -17.607 1.00 0.00 H new ATOM 990 N ASP B 64 -0.721 -11.290 -21.062 1.00 0.00 N ATOM 991 CA ASP B 64 -0.683 -12.641 -21.589 1.00 0.00 C ATOM 992 C ASP B 64 0.445 -13.430 -20.948 1.00 0.00 C ATOM 993 O ASP B 64 0.389 -14.654 -20.892 1.00 0.00 O ATOM 994 CB ASP B 64 -0.474 -12.540 -23.094 1.00 0.00 C ATOM 995 CG ASP B 64 -0.695 -13.877 -23.795 1.00 0.00 C ATOM 996 OD1 ASP B 64 -1.824 -14.409 -23.686 1.00 0.00 O ATOM 997 OD2 ASP B 64 0.267 -14.357 -24.439 1.00 0.00 O ATOM 0 H ASP B 64 -0.458 -10.570 -21.734 1.00 0.00 H new ATOM 0 HA ASP B 64 -1.614 -13.162 -21.368 1.00 0.00 H new ATOM 0 HB2 ASP B 64 -1.158 -11.798 -23.506 1.00 0.00 H new ATOM 0 HB3 ASP B 64 0.538 -12.188 -23.296 1.00 0.00 H new ATOM 1002 N ALA B 65 1.466 -12.722 -20.465 1.00 0.00 N ATOM 1003 CA ALA B 65 2.525 -13.333 -19.683 1.00 0.00 C ATOM 1004 C ALA B 65 2.091 -13.446 -18.227 1.00 0.00 C ATOM 1005 O ALA B 65 2.288 -14.478 -17.590 1.00 0.00 O ATOM 1006 CB ALA B 65 3.791 -12.484 -19.782 1.00 0.00 C ATOM 0 H ALA B 65 1.576 -11.718 -20.607 1.00 0.00 H new ATOM 0 HA ALA B 65 2.730 -14.330 -20.072 1.00 0.00 H new ATOM 0 HB1 ALA B 65 4.585 -12.945 -19.194 1.00 0.00 H new ATOM 0 HB2 ALA B 65 4.103 -12.417 -20.824 1.00 0.00 H new ATOM 0 HB3 ALA B 65 3.589 -11.484 -19.399 1.00 0.00 H new ATOM 1012 N ALA B 66 1.490 -12.383 -17.689 1.00 0.00 N ATOM 1013 CA ALA B 66 1.124 -12.333 -16.285 1.00 0.00 C ATOM 1014 C ALA B 66 -0.082 -13.218 -15.967 1.00 0.00 C ATOM 1015 O ALA B 66 -0.443 -13.375 -14.803 1.00 0.00 O ATOM 1016 CB ALA B 66 0.871 -10.872 -15.905 1.00 0.00 C ATOM 0 H ALA B 66 1.248 -11.543 -18.214 1.00 0.00 H new ATOM 0 HA ALA B 66 1.944 -12.732 -15.688 1.00 0.00 H new ATOM 0 HB1 ALA B 66 0.594 -10.813 -14.852 1.00 0.00 H new ATOM 0 HB2 ALA B 66 1.776 -10.290 -16.076 1.00 0.00 H new ATOM 0 HB3 ALA B 66 0.062 -10.472 -16.516 1.00 0.00 H new ATOM 1022 N ARG B 67 -0.713 -13.800 -16.991 1.00 0.00 N ATOM 1023 CA ARG B 67 -1.756 -14.797 -16.827 1.00 0.00 C ATOM 1024 C ARG B 67 -1.291 -16.193 -17.239 1.00 0.00 C ATOM 1025 O ARG B 67 -2.112 -17.107 -17.320 1.00 0.00 O ATOM 1026 CB ARG B 67 -2.997 -14.376 -17.614 1.00 0.00 C ATOM 1027 CG ARG B 67 -3.805 -13.340 -16.827 1.00 0.00 C ATOM 1028 CD ARG B 67 -3.259 -11.913 -16.876 1.00 0.00 C ATOM 1029 NE ARG B 67 -3.974 -11.045 -15.931 1.00 0.00 N ATOM 1030 CZ ARG B 67 -3.571 -10.770 -14.684 1.00 0.00 C ATOM 1031 NH1 ARG B 67 -2.471 -11.311 -14.170 1.00 0.00 N ATOM 1032 NH2 ARG B 67 -4.282 -9.938 -13.931 1.00 0.00 N ATOM 0 H ARG B 67 -0.506 -13.584 -17.966 1.00 0.00 H new ATOM 0 HA ARG B 67 -2.005 -14.854 -15.767 1.00 0.00 H new ATOM 0 HB2 ARG B 67 -2.700 -13.960 -18.577 1.00 0.00 H new ATOM 0 HB3 ARG B 67 -3.617 -15.248 -17.821 1.00 0.00 H new ATOM 0 HG2 ARG B 67 -4.826 -13.334 -17.208 1.00 0.00 H new ATOM 0 HG3 ARG B 67 -3.855 -13.657 -15.785 1.00 0.00 H new ATOM 0 HD2 ARG B 67 -2.195 -11.918 -16.638 1.00 0.00 H new ATOM 0 HD3 ARG B 67 -3.358 -11.516 -17.886 1.00 0.00 H new ATOM 0 HE ARG B 67 -4.844 -10.619 -16.249 1.00 0.00 H new ATOM 0 HH11 ARG B 67 -1.910 -11.954 -14.729 1.00 0.00 H new ATOM 0 HH12 ARG B 67 -2.188 -11.083 -13.217 1.00 0.00 H new ATOM 0 HH21 ARG B 67 -5.131 -9.512 -14.303 1.00 0.00 H new ATOM 0 HH22 ARG B 67 -3.979 -9.725 -12.980 1.00 0.00 H new ATOM 1046 N ASP B 68 0.006 -16.379 -17.501 1.00 0.00 N ATOM 1047 CA ASP B 68 0.526 -17.640 -17.990 1.00 0.00 C ATOM 1048 C ASP B 68 1.681 -18.085 -17.116 1.00 0.00 C ATOM 1049 O ASP B 68 1.714 -19.205 -16.616 1.00 0.00 O ATOM 1050 CB ASP B 68 1.079 -17.368 -19.381 1.00 0.00 C ATOM 1051 CG ASP B 68 0.150 -17.868 -20.490 1.00 0.00 C ATOM 1052 OD1 ASP B 68 -1.052 -17.518 -20.447 1.00 0.00 O ATOM 1053 OD2 ASP B 68 0.651 -18.598 -21.373 1.00 0.00 O ATOM 0 H ASP B 68 0.715 -15.657 -17.378 1.00 0.00 H new ATOM 0 HA ASP B 68 -0.251 -18.405 -17.990 1.00 0.00 H new ATOM 0 HB2 ASP B 68 1.239 -16.297 -19.501 1.00 0.00 H new ATOM 0 HB3 ASP B 68 2.052 -17.849 -19.482 1.00 0.00 H new ATOM 1058 N MET B 69 2.622 -17.162 -16.955 1.00 0.00 N ATOM 1059 CA MET B 69 3.837 -17.327 -16.199 1.00 0.00 C ATOM 1060 C MET B 69 3.616 -17.085 -14.710 1.00 0.00 C ATOM 1061 O MET B 69 4.500 -17.344 -13.896 1.00 0.00 O ATOM 1062 CB MET B 69 4.822 -16.318 -16.775 1.00 0.00 C ATOM 1063 CG MET B 69 5.725 -16.960 -17.829 1.00 0.00 C ATOM 1064 SD MET B 69 6.735 -18.352 -17.270 1.00 0.00 S ATOM 1065 CE MET B 69 7.593 -17.490 -15.939 1.00 0.00 C ATOM 0 H MET B 69 2.545 -16.235 -17.373 1.00 0.00 H new ATOM 0 HA MET B 69 4.210 -18.348 -16.279 1.00 0.00 H new ATOM 0 HB2 MET B 69 4.275 -15.486 -17.220 1.00 0.00 H new ATOM 0 HB3 MET B 69 5.433 -15.905 -15.973 1.00 0.00 H new ATOM 0 HG2 MET B 69 5.100 -17.299 -18.655 1.00 0.00 H new ATOM 0 HG3 MET B 69 6.389 -16.192 -18.226 1.00 0.00 H new ATOM 0 HE1 MET B 69 8.620 -17.850 -15.875 1.00 0.00 H new ATOM 0 HE2 MET B 69 7.596 -16.419 -16.142 1.00 0.00 H new ATOM 0 HE3 MET B 69 7.083 -17.679 -14.995 1.00 0.00 H new ATOM 1075 N ASN B 70 2.435 -16.585 -14.333 1.00 0.00 N ATOM 1076 CA ASN B 70 2.124 -16.348 -12.937 1.00 0.00 C ATOM 1077 C ASN B 70 1.834 -17.678 -12.245 1.00 0.00 C ATOM 1078 O ASN B 70 1.003 -18.456 -12.708 1.00 0.00 O ATOM 1079 CB ASN B 70 0.943 -15.380 -12.843 1.00 0.00 C ATOM 1080 CG ASN B 70 0.620 -15.002 -11.406 1.00 0.00 C ATOM 1081 OD1 ASN B 70 1.427 -15.202 -10.504 1.00 0.00 O ATOM 1082 ND2 ASN B 70 -0.567 -14.451 -11.188 1.00 0.00 N ATOM 0 H ASN B 70 1.686 -16.340 -14.981 1.00 0.00 H new ATOM 0 HA ASN B 70 2.973 -15.892 -12.428 1.00 0.00 H new ATOM 0 HB2 ASN B 70 1.169 -14.478 -13.412 1.00 0.00 H new ATOM 0 HB3 ASN B 70 0.066 -15.835 -13.303 1.00 0.00 H new ATOM 0 HD21 ASN B 70 -0.836 -14.177 -10.243 1.00 0.00 H new ATOM 0 HD22 ASN B 70 -1.210 -14.301 -11.965 1.00 0.00 H new ATOM 1089 N GLY B 71 2.531 -17.934 -11.133 1.00 0.00 N ATOM 1090 CA GLY B 71 2.366 -19.151 -10.357 1.00 0.00 C ATOM 1091 C GLY B 71 3.246 -20.284 -10.881 1.00 0.00 C ATOM 1092 O GLY B 71 3.310 -21.345 -10.263 1.00 0.00 O ATOM 0 H GLY B 71 3.227 -17.294 -10.750 1.00 0.00 H new ATOM 0 HA2 GLY B 71 2.612 -18.953 -9.314 1.00 0.00 H new ATOM 0 HA3 GLY B 71 1.321 -19.460 -10.385 1.00 0.00 H new ATOM 1096 N LYS B 72 3.925 -20.066 -12.010 1.00 0.00 N ATOM 1097 CA LYS B 72 4.889 -20.980 -12.574 1.00 0.00 C ATOM 1098 C LYS B 72 6.222 -20.805 -11.871 1.00 0.00 C ATOM 1099 O LYS B 72 6.275 -20.374 -10.721 1.00 0.00 O ATOM 1100 CB LYS B 72 5.016 -20.669 -14.059 1.00 0.00 C ATOM 1101 CG LYS B 72 3.672 -20.674 -14.789 1.00 0.00 C ATOM 1102 CD LYS B 72 2.958 -22.020 -14.635 1.00 0.00 C ATOM 1103 CE LYS B 72 1.657 -22.003 -15.437 1.00 0.00 C ATOM 1104 NZ LYS B 72 0.938 -23.285 -15.307 1.00 0.00 N ATOM 0 H LYS B 72 3.807 -19.218 -12.565 1.00 0.00 H new ATOM 0 HA LYS B 72 4.570 -22.014 -12.443 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.486 -19.693 -14.181 1.00 0.00 H new ATOM 0 HB3 LYS B 72 5.677 -21.401 -14.522 1.00 0.00 H new ATOM 0 HG2 LYS B 72 3.040 -19.878 -14.396 1.00 0.00 H new ATOM 0 HG3 LYS B 72 3.830 -20.463 -15.847 1.00 0.00 H new ATOM 0 HD2 LYS B 72 3.602 -22.827 -14.984 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.747 -22.213 -13.583 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.022 -21.189 -15.089 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.876 -21.810 -16.487 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 0.058 -23.247 -15.861 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.538 -24.057 -15.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.710 -23.455 -14.307 1.00 0.00 H new ATOM 1118 N SER B 73 7.300 -21.144 -12.574 1.00 0.00 N ATOM 1119 CA SER B 73 8.636 -21.147 -12.016 1.00 0.00 C ATOM 1120 C SER B 73 9.668 -20.621 -12.992 1.00 0.00 C ATOM 1121 O SER B 73 9.456 -20.598 -14.203 1.00 0.00 O ATOM 1122 CB SER B 73 8.934 -22.588 -11.619 1.00 0.00 C ATOM 1123 OG SER B 73 10.180 -22.705 -10.977 1.00 0.00 O ATOM 0 H SER B 73 7.263 -21.425 -13.554 1.00 0.00 H new ATOM 0 HA SER B 73 8.687 -20.480 -11.155 1.00 0.00 H new ATOM 0 HB2 SER B 73 8.148 -22.953 -10.957 1.00 0.00 H new ATOM 0 HB3 SER B 73 8.922 -23.220 -12.507 1.00 0.00 H new ATOM 0 HG SER B 73 10.337 -23.642 -10.735 1.00 0.00 H new ATOM 1129 N LEU B 74 10.796 -20.194 -12.428 1.00 0.00 N ATOM 1130 CA LEU B 74 11.927 -19.705 -13.191 1.00 0.00 C ATOM 1131 C LEU B 74 13.177 -20.355 -12.644 1.00 0.00 C ATOM 1132 O LEU B 74 13.428 -20.291 -11.442 1.00 0.00 O ATOM 1133 CB LEU B 74 12.077 -18.195 -13.042 1.00 0.00 C ATOM 1134 CG LEU B 74 12.415 -17.478 -14.348 1.00 0.00 C ATOM 1135 CD1 LEU B 74 13.568 -18.100 -15.132 1.00 0.00 C ATOM 1136 CD2 LEU B 74 11.177 -17.467 -15.231 1.00 0.00 C ATOM 0 H LEU B 74 10.945 -20.180 -11.419 1.00 0.00 H new ATOM 0 HA LEU B 74 11.772 -19.943 -14.243 1.00 0.00 H new ATOM 0 HB2 LEU B 74 11.150 -17.785 -12.642 1.00 0.00 H new ATOM 0 HB3 LEU B 74 12.859 -17.987 -12.311 1.00 0.00 H new ATOM 0 HG LEU B 74 12.738 -16.474 -14.072 1.00 0.00 H new ATOM 0 HD11 LEU B 74 13.739 -17.527 -16.044 1.00 0.00 H new ATOM 0 HD12 LEU B 74 14.471 -18.088 -14.522 1.00 0.00 H new ATOM 0 HD13 LEU B 74 13.318 -19.129 -15.391 1.00 0.00 H new ATOM 0 HD21 LEU B 74 11.403 -16.958 -16.168 1.00 0.00 H new ATOM 0 HD22 LEU B 74 10.870 -18.492 -15.440 1.00 0.00 H new ATOM 0 HD23 LEU B 74 10.370 -16.943 -14.719 1.00 0.00 H new ATOM 1148 N ASP B 75 13.951 -20.975 -13.532 1.00 0.00 N ATOM 1149 CA ASP B 75 15.182 -21.670 -13.206 1.00 0.00 C ATOM 1150 C ASP B 75 14.992 -22.845 -12.253 1.00 0.00 C ATOM 1151 O ASP B 75 15.823 -23.748 -12.206 1.00 0.00 O ATOM 1152 CB ASP B 75 16.165 -20.647 -12.636 1.00 0.00 C ATOM 1153 CG ASP B 75 17.618 -21.074 -12.842 1.00 0.00 C ATOM 1154 OD1 ASP B 75 18.050 -22.032 -12.166 1.00 0.00 O ATOM 1155 OD2 ASP B 75 18.289 -20.433 -13.682 1.00 0.00 O ATOM 0 H ASP B 75 13.727 -21.005 -14.527 1.00 0.00 H new ATOM 0 HA ASP B 75 15.573 -22.117 -14.120 1.00 0.00 H new ATOM 0 HB2 ASP B 75 16.000 -19.681 -13.113 1.00 0.00 H new ATOM 0 HB3 ASP B 75 15.973 -20.514 -11.571 1.00 0.00 H new ATOM 1160 N GLY B 76 13.905 -22.840 -11.492 1.00 0.00 N ATOM 1161 CA GLY B 76 13.630 -23.890 -10.547 1.00 0.00 C ATOM 1162 C GLY B 76 12.794 -23.423 -9.354 1.00 0.00 C ATOM 1163 O GLY B 76 12.392 -24.249 -8.536 1.00 0.00 O ATOM 0 H GLY B 76 13.197 -22.106 -11.520 1.00 0.00 H new ATOM 0 HA2 GLY B 76 13.106 -24.699 -11.055 1.00 0.00 H new ATOM 0 HA3 GLY B 76 14.573 -24.299 -10.184 1.00 0.00 H new ATOM 1167 N LYS B 77 12.528 -22.113 -9.247 1.00 0.00 N ATOM 1168 CA LYS B 77 11.844 -21.531 -8.105 1.00 0.00 C ATOM 1169 C LYS B 77 10.538 -20.880 -8.545 1.00 0.00 C ATOM 1170 O LYS B 77 10.507 -20.163 -9.543 1.00 0.00 O ATOM 1171 CB LYS B 77 12.762 -20.525 -7.402 1.00 0.00 C ATOM 1172 CG LYS B 77 14.133 -21.132 -7.092 1.00 0.00 C ATOM 1173 CD LYS B 77 14.040 -22.343 -6.165 1.00 0.00 C ATOM 1174 CE LYS B 77 15.388 -23.062 -6.146 1.00 0.00 C ATOM 1175 NZ LYS B 77 15.371 -24.204 -5.214 1.00 0.00 N ATOM 0 H LYS B 77 12.787 -21.431 -9.960 1.00 0.00 H new ATOM 0 HA LYS B 77 11.598 -22.320 -7.394 1.00 0.00 H new ATOM 0 HB2 LYS B 77 12.888 -19.645 -8.032 1.00 0.00 H new ATOM 0 HB3 LYS B 77 12.294 -20.190 -6.476 1.00 0.00 H new ATOM 0 HG2 LYS B 77 14.615 -21.428 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS B 77 14.767 -20.374 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS B 77 13.769 -22.026 -5.158 1.00 0.00 H new ATOM 0 HD3 LYS B 77 13.257 -23.020 -6.508 1.00 0.00 H new ATOM 0 HE2 LYS B 77 15.630 -23.412 -7.149 1.00 0.00 H new ATOM 0 HE3 LYS B 77 16.172 -22.363 -5.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 16.299 -24.673 -5.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 15.163 -23.865 -4.253 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 14.639 -24.881 -5.508 1.00 0.00 H new ATOM 1189 N ALA B 78 9.463 -21.138 -7.798 1.00 0.00 N ATOM 1190 CA ALA B 78 8.135 -20.679 -8.169 1.00 0.00 C ATOM 1191 C ALA B 78 7.997 -19.170 -7.995 1.00 0.00 C ATOM 1192 O ALA B 78 8.473 -18.606 -7.011 1.00 0.00 O ATOM 1193 CB ALA B 78 7.090 -21.436 -7.355 1.00 0.00 C ATOM 0 H ALA B 78 9.494 -21.667 -6.927 1.00 0.00 H new ATOM 0 HA ALA B 78 7.973 -20.887 -9.227 1.00 0.00 H new ATOM 0 HB1 ALA B 78 6.094 -21.092 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA B 78 7.175 -22.504 -7.557 1.00 0.00 H new ATOM 0 HB3 ALA B 78 7.254 -21.254 -6.293 1.00 0.00 H new ATOM 1199 N ILE B 79 7.342 -18.519 -8.961 1.00 0.00 N ATOM 1200 CA ILE B 79 7.222 -17.068 -8.994 1.00 0.00 C ATOM 1201 C ILE B 79 5.782 -16.556 -8.980 1.00 0.00 C ATOM 1202 O ILE B 79 4.818 -17.319 -9.031 1.00 0.00 O ATOM 1203 CB ILE B 79 7.929 -16.520 -10.240 1.00 0.00 C ATOM 1204 CG1 ILE B 79 7.121 -16.827 -11.509 1.00 0.00 C ATOM 1205 CG2 ILE B 79 9.339 -17.089 -10.360 1.00 0.00 C ATOM 1206 CD1 ILE B 79 7.713 -16.116 -12.720 1.00 0.00 C ATOM 0 H ILE B 79 6.881 -18.989 -9.741 1.00 0.00 H new ATOM 0 HA ILE B 79 7.691 -16.711 -8.077 1.00 0.00 H new ATOM 0 HB ILE B 79 8.002 -15.438 -10.132 1.00 0.00 H new ATOM 0 HG12 ILE B 79 7.108 -17.903 -11.685 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.086 -16.515 -11.370 1.00 0.00 H new ATOM 0 HG21 ILE B 79 9.820 -16.685 -11.251 1.00 0.00 H new ATOM 0 HG22 ILE B 79 9.919 -16.814 -9.479 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.288 -18.175 -10.436 1.00 0.00 H new ATOM 0 HD11 ILE B 79 7.121 -16.351 -13.605 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.702 -15.039 -12.551 1.00 0.00 H new ATOM 0 HD13 ILE B 79 8.740 -16.449 -12.871 1.00 0.00 H new ATOM 1218 N LYS B 80 5.682 -15.227 -8.915 1.00 0.00 N ATOM 1219 CA LYS B 80 4.468 -14.450 -9.092 1.00 0.00 C ATOM 1220 C LYS B 80 4.692 -13.519 -10.275 1.00 0.00 C ATOM 1221 O LYS B 80 5.798 -13.002 -10.433 1.00 0.00 O ATOM 1222 CB LYS B 80 4.215 -13.609 -7.838 1.00 0.00 C ATOM 1223 CG LYS B 80 2.824 -12.964 -7.881 1.00 0.00 C ATOM 1224 CD LYS B 80 2.751 -11.796 -6.899 1.00 0.00 C ATOM 1225 CE LYS B 80 1.320 -11.276 -6.791 1.00 0.00 C ATOM 1226 NZ LYS B 80 1.247 -10.092 -5.911 1.00 0.00 N ATOM 0 H LYS B 80 6.493 -14.638 -8.727 1.00 0.00 H new ATOM 0 HA LYS B 80 3.613 -15.104 -9.263 1.00 0.00 H new ATOM 0 HB2 LYS B 80 4.302 -14.237 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS B 80 4.977 -12.834 -7.756 1.00 0.00 H new ATOM 0 HG2 LYS B 80 2.609 -12.613 -8.890 1.00 0.00 H new ATOM 0 HG3 LYS B 80 2.064 -13.705 -7.633 1.00 0.00 H new ATOM 0 HD2 LYS B 80 3.103 -12.116 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS B 80 3.412 -10.994 -7.229 1.00 0.00 H new ATOM 0 HE2 LYS B 80 0.948 -11.019 -7.783 1.00 0.00 H new ATOM 0 HE3 LYS B 80 0.673 -12.062 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 0.263 -9.760 -5.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 1.580 -10.346 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 1.846 -9.335 -6.297 1.00 0.00 H new ATOM 1240 N VAL B 81 3.668 -13.291 -11.100 1.00 0.00 N ATOM 1241 CA VAL B 81 3.764 -12.344 -12.201 1.00 0.00 C ATOM 1242 C VAL B 81 2.494 -11.512 -12.250 1.00 0.00 C ATOM 1243 O VAL B 81 1.392 -12.052 -12.316 1.00 0.00 O ATOM 1244 CB VAL B 81 4.005 -13.060 -13.531 1.00 0.00 C ATOM 1245 CG1 VAL B 81 4.200 -12.028 -14.641 1.00 0.00 C ATOM 1246 CG2 VAL B 81 5.253 -13.935 -13.460 1.00 0.00 C ATOM 0 H VAL B 81 2.762 -13.753 -11.022 1.00 0.00 H new ATOM 0 HA VAL B 81 4.619 -11.688 -12.034 1.00 0.00 H new ATOM 0 HB VAL B 81 3.138 -13.687 -13.740 1.00 0.00 H new ATOM 0 HG11 VAL B 81 4.372 -12.540 -15.588 1.00 0.00 H new ATOM 0 HG12 VAL B 81 3.308 -11.407 -14.721 1.00 0.00 H new ATOM 0 HG13 VAL B 81 5.060 -11.400 -14.407 1.00 0.00 H new ATOM 0 HG21 VAL B 81 5.403 -14.433 -14.418 1.00 0.00 H new ATOM 0 HG22 VAL B 81 6.120 -13.314 -13.234 1.00 0.00 H new ATOM 0 HG23 VAL B 81 5.129 -14.683 -12.677 1.00 0.00 H new ATOM 1256 N GLU B 82 2.647 -10.187 -12.218 1.00 0.00 N ATOM 1257 CA GLU B 82 1.513 -9.275 -12.193 1.00 0.00 C ATOM 1258 C GLU B 82 1.970 -7.879 -12.603 1.00 0.00 C ATOM 1259 O GLU B 82 3.168 -7.614 -12.607 1.00 0.00 O ATOM 1260 CB GLU B 82 0.938 -9.260 -10.772 1.00 0.00 C ATOM 1261 CG GLU B 82 -0.414 -8.544 -10.694 1.00 0.00 C ATOM 1262 CD GLU B 82 -1.380 -9.042 -11.766 1.00 0.00 C ATOM 1263 OE1 GLU B 82 -1.930 -10.153 -11.599 1.00 0.00 O ATOM 1264 OE2 GLU B 82 -1.561 -8.301 -12.757 1.00 0.00 O ATOM 0 H GLU B 82 3.555 -9.723 -12.209 1.00 0.00 H new ATOM 0 HA GLU B 82 0.744 -9.601 -12.893 1.00 0.00 H new ATOM 0 HB2 GLU B 82 0.824 -10.285 -10.419 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.645 -8.769 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.852 -8.701 -9.708 1.00 0.00 H new ATOM 0 HG3 GLU B 82 -0.264 -7.471 -10.809 1.00 0.00 H new ATOM 1271 N GLN B 83 1.044 -6.977 -12.948 1.00 0.00 N ATOM 1272 CA GLN B 83 1.413 -5.597 -13.222 1.00 0.00 C ATOM 1273 C GLN B 83 2.105 -5.046 -11.976 1.00 0.00 C ATOM 1274 O GLN B 83 1.637 -5.246 -10.856 1.00 0.00 O ATOM 1275 CB GLN B 83 0.156 -4.804 -13.592 1.00 0.00 C ATOM 1276 CG GLN B 83 0.325 -3.288 -13.482 1.00 0.00 C ATOM 1277 CD GLN B 83 1.285 -2.673 -14.489 1.00 0.00 C ATOM 1278 OE1 GLN B 83 1.405 -3.124 -15.624 1.00 0.00 O ATOM 1279 NE2 GLN B 83 1.974 -1.622 -14.052 1.00 0.00 N ATOM 0 H GLN B 83 0.049 -7.180 -13.041 1.00 0.00 H new ATOM 0 HA GLN B 83 2.100 -5.519 -14.065 1.00 0.00 H new ATOM 0 HB2 GLN B 83 -0.132 -5.054 -14.613 1.00 0.00 H new ATOM 0 HB3 GLN B 83 -0.663 -5.116 -12.944 1.00 0.00 H new ATOM 0 HG2 GLN B 83 -0.652 -2.819 -13.601 1.00 0.00 H new ATOM 0 HG3 GLN B 83 0.673 -3.048 -12.477 1.00 0.00 H new ATOM 0 HE21 GLN B 83 1.839 -1.284 -13.099 1.00 0.00 H new ATOM 0 HE22 GLN B 83 2.637 -1.154 -14.670 1.00 0.00 H new ATOM 1288 N ALA B 84 3.224 -4.351 -12.177 1.00 0.00 N ATOM 1289 CA ALA B 84 4.053 -3.881 -11.084 1.00 0.00 C ATOM 1290 C ALA B 84 3.441 -2.687 -10.365 1.00 0.00 C ATOM 1291 O ALA B 84 2.598 -1.973 -10.913 1.00 0.00 O ATOM 1292 CB ALA B 84 5.426 -3.503 -11.635 1.00 0.00 C ATOM 0 H ALA B 84 3.575 -4.102 -13.102 1.00 0.00 H new ATOM 0 HA ALA B 84 4.138 -4.686 -10.354 1.00 0.00 H new ATOM 0 HB1 ALA B 84 6.059 -3.148 -10.822 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.885 -4.376 -12.098 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.315 -2.715 -12.379 1.00 0.00 H new ATOM 1298 N THR B 85 3.887 -2.480 -9.125 1.00 0.00 N ATOM 1299 CA THR B 85 3.531 -1.306 -8.345 1.00 0.00 C ATOM 1300 C THR B 85 4.788 -0.528 -7.998 1.00 0.00 C ATOM 1301 O THR B 85 5.903 -1.013 -8.174 1.00 0.00 O ATOM 1302 CB THR B 85 2.770 -1.672 -7.074 1.00 0.00 C ATOM 1303 OG1 THR B 85 3.524 -2.552 -6.268 1.00 0.00 O ATOM 1304 CG2 THR B 85 1.446 -2.351 -7.412 1.00 0.00 C ATOM 0 H THR B 85 4.507 -3.127 -8.637 1.00 0.00 H new ATOM 0 HA THR B 85 2.868 -0.688 -8.951 1.00 0.00 H new ATOM 0 HB THR B 85 2.585 -0.744 -6.533 1.00 0.00 H new ATOM 0 HG1 THR B 85 3.016 -2.771 -5.459 1.00 0.00 H new ATOM 0 HG21 THR B 85 0.921 -2.603 -6.491 1.00 0.00 H new ATOM 0 HG22 THR B 85 0.832 -1.675 -8.007 1.00 0.00 H new ATOM 0 HG23 THR B 85 1.638 -3.261 -7.980 1.00 0.00 H new