USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 19 SER OG : rot 163:sc= 1.17 USER MOD Set 1.2: B 21 ASN : amide:sc= -0.761 K(o=1.6,f=-0.42) USER MOD Set 1.3: B 27 LYS NZ :NH3+ -142:sc= 1.2 (180deg=-0.589!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -150:sc= 0.411 (180deg=0) USER MOD Set 2.2: A 60 SER OG : rot 75:sc= 1.05 USER MOD Set 3.1: A 55 LYS NZ :NH3+ 169:sc= 2.36 (180deg=0.554) USER MOD Set 3.2: B 58 THR OG1 : rot -29:sc= 1.87 USER MOD Set 4.1: A 21 ASN : amide:sc= -0.658 K(o=1.9,f=0.91) USER MOD Set 4.2: A 27 LYS NZ :NH3+ -143:sc= 2.51 (180deg=2.13) USER MOD Single : A 8 THR OG1 : rot 29:sc= 0.21 USER MOD Single : A 14 HIS : no HE2:sc= 0.984 K(o=0.98,f=-6.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.00627 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.687 K(o=-0.69,f=-2.5!) USER MOD Single : A 33 SER OG : rot 180:sc= -1.66! USER MOD Single : A 35 ASN : amide:sc= -0.751 X(o=-0.75,f=-0.54) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00501 USER MOD Single : A 61 ASN : amide:sc= -0.0246 X(o=-0.025,f=-0.017) USER MOD Single : A 65 GLN : amide:sc= -2.65 X(o=-2.6,f=-2.2!) USER MOD Single : A 66 THR OG1 : rot 59:sc= 1.28 USER MOD Single : A 67 MET CE :methyl -107:sc= -0.101 (180deg=-3.98!) USER MOD Single : A 72 LYS NZ :NH3+ 143:sc= 2.26 (180deg=1.05) USER MOD Single : A 74 ASN : amide:sc= -0.888 X(o=-0.89,f=-0.85) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 HIS : no HE2:sc= 0.00498 K(o=0.005,f=-1.3) USER MOD Single : B 17 THR OG1 : rot -87:sc= 1.27 USER MOD Single : B 23 LYS NZ :NH3+ -169:sc= -0.0146 (180deg=-0.158) USER MOD Single : B 26 THR OG1 : rot 148:sc= 0.231 USER MOD Single : B 30 ASN : amide:sc=-0.00809 X(o=-0.0081,f=-0.46) USER MOD Single : B 33 SER OG : rot 34:sc= 0.524 USER MOD Single : B 35 ASN : amide:sc= -0.158! C(o=-0.16!,f=-5!) USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot 180:sc= 0 USER MOD Single : B 55 LYS NZ :NH3+ -163:sc= -0.041 (180deg=-0.321) USER MOD Single : B 60 SER OG : rot 180:sc= -0.0377 USER MOD Single : B 61 ASN : amide:sc= -0.904 K(o=-0.9,f=-7.7!) USER MOD Single : B 65 GLN : amide:sc= -2.76! K(o=-2.8!,f=-0.63) USER MOD Single : B 66 THR OG1 : rot 76:sc= 1.25 USER MOD Single : B 67 MET CE :methyl -106:sc= -0.0171 (180deg=-3.5!) USER MOD Single : B 72 LYS NZ :NH3+ 157:sc= 0.953 (180deg=-0.207) USER MOD Single : B 74 ASN : amide:sc= -0.187 K(o=-0.19,f=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 12.855 7.576 -17.379 1.00 0.00 N ATOM 127 CA THR A 8 13.806 7.036 -16.425 1.00 0.00 C ATOM 128 C THR A 8 13.187 6.957 -15.034 1.00 0.00 C ATOM 129 O THR A 8 12.745 7.968 -14.485 1.00 0.00 O ATOM 130 CB THR A 8 15.077 7.904 -16.371 1.00 0.00 C ATOM 131 OG1 THR A 8 15.564 8.150 -17.697 1.00 0.00 O ATOM 132 CG2 THR A 8 16.168 7.231 -15.547 1.00 0.00 C ATOM 0 HA THR A 8 14.074 6.032 -16.754 1.00 0.00 H new ATOM 0 HB THR A 8 14.816 8.849 -15.896 1.00 0.00 H new ATOM 0 HG1 THR A 8 14.815 8.137 -18.328 1.00 0.00 H new ATOM 0 HG21 THR A 8 17.053 7.867 -15.527 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.811 7.074 -14.529 1.00 0.00 H new ATOM 0 HG23 THR A 8 16.422 6.270 -15.995 1.00 0.00 H new ATOM 140 N PHE A 9 13.128 5.753 -14.482 1.00 0.00 N ATOM 141 CA PHE A 9 12.648 5.565 -13.125 1.00 0.00 C ATOM 142 C PHE A 9 13.792 5.101 -12.233 1.00 0.00 C ATOM 143 O PHE A 9 14.542 4.186 -12.587 1.00 0.00 O ATOM 144 CB PHE A 9 11.470 4.574 -13.077 1.00 0.00 C ATOM 145 CG PHE A 9 11.800 3.172 -13.526 1.00 0.00 C ATOM 146 CD1 PHE A 9 11.826 2.847 -14.874 1.00 0.00 C ATOM 147 CD2 PHE A 9 12.074 2.178 -12.598 1.00 0.00 C ATOM 148 CE1 PHE A 9 12.120 1.560 -15.286 1.00 0.00 C ATOM 149 CE2 PHE A 9 12.370 0.890 -13.004 1.00 0.00 C ATOM 150 CZ PHE A 9 12.392 0.583 -14.351 1.00 0.00 C ATOM 0 H PHE A 9 13.407 4.893 -14.955 1.00 0.00 H new ATOM 0 HA PHE A 9 12.278 6.521 -12.754 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.090 4.533 -12.056 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.664 4.960 -13.702 1.00 0.00 H new ATOM 0 HD1 PHE A 9 11.614 3.608 -15.611 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.056 2.413 -11.544 1.00 0.00 H new ATOM 0 HE1 PHE A 9 12.137 1.320 -16.339 1.00 0.00 H new ATOM 0 HE2 PHE A 9 12.583 0.126 -12.271 1.00 0.00 H new ATOM 0 HZ PHE A 9 12.622 -0.422 -14.672 1.00 0.00 H new ATOM 160 N GLU A 10 13.945 5.754 -11.095 1.00 0.00 N ATOM 161 CA GLU A 10 15.024 5.437 -10.176 1.00 0.00 C ATOM 162 C GLU A 10 14.486 5.074 -8.801 1.00 0.00 C ATOM 163 O GLU A 10 13.777 5.856 -8.174 1.00 0.00 O ATOM 164 CB GLU A 10 15.986 6.620 -10.049 1.00 0.00 C ATOM 165 CG GLU A 10 16.859 6.836 -11.269 1.00 0.00 C ATOM 166 CD GLU A 10 17.843 5.706 -11.479 1.00 0.00 C ATOM 167 OE1 GLU A 10 18.412 5.214 -10.478 1.00 0.00 O ATOM 168 OE2 GLU A 10 18.058 5.308 -12.641 1.00 0.00 O ATOM 0 H GLU A 10 13.334 6.509 -10.784 1.00 0.00 H new ATOM 0 HA GLU A 10 15.558 4.578 -10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.409 7.526 -9.862 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.625 6.464 -9.180 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.228 6.934 -12.152 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.404 7.774 -11.162 1.00 0.00 H new ATOM 175 N ILE A 11 14.818 3.885 -8.339 1.00 0.00 N ATOM 176 CA ILE A 11 14.488 3.491 -6.979 1.00 0.00 C ATOM 177 C ILE A 11 15.517 4.081 -6.024 1.00 0.00 C ATOM 178 O ILE A 11 16.658 3.619 -5.967 1.00 0.00 O ATOM 179 CB ILE A 11 14.446 1.955 -6.824 1.00 0.00 C ATOM 180 CG1 ILE A 11 13.398 1.359 -7.770 1.00 0.00 C ATOM 181 CG2 ILE A 11 14.147 1.574 -5.377 1.00 0.00 C ATOM 182 CD1 ILE A 11 13.325 -0.153 -7.729 1.00 0.00 C ATOM 0 H ILE A 11 15.314 3.176 -8.880 1.00 0.00 H new ATOM 0 HA ILE A 11 13.495 3.872 -6.743 1.00 0.00 H new ATOM 0 HB ILE A 11 15.422 1.548 -7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.420 1.767 -7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.621 1.675 -8.789 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.121 0.488 -5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 11 14.925 1.975 -4.727 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.181 1.986 -5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.561 -0.499 -8.425 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.291 -0.572 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.071 -0.478 -6.720 1.00 0.00 H new ATOM 194 N GLU A 12 15.126 5.128 -5.311 1.00 0.00 N ATOM 195 CA GLU A 12 16.043 5.831 -4.423 1.00 0.00 C ATOM 196 C GLU A 12 16.291 5.030 -3.159 1.00 0.00 C ATOM 197 O GLU A 12 17.400 4.554 -2.905 1.00 0.00 O ATOM 198 CB GLU A 12 15.478 7.193 -4.021 1.00 0.00 C ATOM 199 CG GLU A 12 15.146 8.111 -5.179 1.00 0.00 C ATOM 200 CD GLU A 12 14.848 9.518 -4.706 1.00 0.00 C ATOM 201 OE1 GLU A 12 13.857 9.705 -3.971 1.00 0.00 O ATOM 202 OE2 GLU A 12 15.629 10.436 -5.042 1.00 0.00 O ATOM 0 H GLU A 12 14.180 5.510 -5.330 1.00 0.00 H new ATOM 0 HA GLU A 12 16.978 5.964 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.576 7.036 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.199 7.693 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.981 8.131 -5.879 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.285 7.718 -5.720 1.00 0.00 H new ATOM 209 N GLU A 13 15.241 4.875 -2.377 1.00 0.00 N ATOM 210 CA GLU A 13 15.354 4.292 -1.058 1.00 0.00 C ATOM 211 C GLU A 13 14.267 3.258 -0.830 1.00 0.00 C ATOM 212 O GLU A 13 13.126 3.439 -1.256 1.00 0.00 O ATOM 213 CB GLU A 13 15.254 5.393 0.003 1.00 0.00 C ATOM 214 CG GLU A 13 15.413 4.892 1.427 1.00 0.00 C ATOM 215 CD GLU A 13 16.804 4.370 1.706 1.00 0.00 C ATOM 216 OE1 GLU A 13 17.168 3.308 1.159 1.00 0.00 O ATOM 217 OE2 GLU A 13 17.535 5.011 2.487 1.00 0.00 O ATOM 0 H GLU A 13 14.293 5.148 -2.637 1.00 0.00 H new ATOM 0 HA GLU A 13 16.322 3.797 -0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.018 6.145 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.288 5.888 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 13 15.186 5.702 2.121 1.00 0.00 H new ATOM 0 HG3 GLU A 13 14.687 4.100 1.613 1.00 0.00 H new ATOM 224 N HIS A 14 14.631 2.173 -0.166 1.00 0.00 N ATOM 225 CA HIS A 14 13.665 1.170 0.244 1.00 0.00 C ATOM 226 C HIS A 14 13.219 1.485 1.662 1.00 0.00 C ATOM 227 O HIS A 14 14.035 1.474 2.581 1.00 0.00 O ATOM 228 CB HIS A 14 14.269 -0.243 0.198 1.00 0.00 C ATOM 229 CG HIS A 14 14.815 -0.647 -1.139 1.00 0.00 C ATOM 230 ND1 HIS A 14 14.085 -1.338 -2.077 1.00 0.00 N ATOM 231 CD2 HIS A 14 16.044 -0.479 -1.677 1.00 0.00 C ATOM 232 CE1 HIS A 14 14.836 -1.576 -3.132 1.00 0.00 C ATOM 233 NE2 HIS A 14 16.034 -1.065 -2.919 1.00 0.00 N ATOM 0 H HIS A 14 15.593 1.965 0.101 1.00 0.00 H new ATOM 0 HA HIS A 14 12.819 1.193 -0.443 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.069 -0.306 0.936 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.504 -0.960 0.495 1.00 0.00 H new ATOM 0 HD1 HIS A 14 13.111 -1.623 -1.972 1.00 0.00 H new ATOM 0 HD2 HIS A 14 16.880 0.024 -1.215 1.00 0.00 H new ATOM 0 HE1 HIS A 14 14.524 -2.101 -4.022 1.00 0.00 H new ATOM 242 N LEU A 15 11.942 1.796 1.839 1.00 0.00 N ATOM 243 CA LEU A 15 11.421 2.116 3.164 1.00 0.00 C ATOM 244 C LEU A 15 11.497 0.886 4.054 1.00 0.00 C ATOM 245 O LEU A 15 12.136 0.906 5.107 1.00 0.00 O ATOM 246 CB LEU A 15 9.979 2.624 3.072 1.00 0.00 C ATOM 247 CG LEU A 15 9.794 3.933 2.302 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.318 4.275 2.179 1.00 0.00 C ATOM 249 CD2 LEU A 15 10.546 5.066 2.983 1.00 0.00 C ATOM 0 H LEU A 15 11.251 1.834 1.089 1.00 0.00 H new ATOM 0 HA LEU A 15 12.029 2.909 3.599 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.370 1.854 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.594 2.759 4.083 1.00 0.00 H new ATOM 0 HG LEU A 15 10.203 3.801 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.206 5.209 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.802 3.476 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.886 4.386 3.174 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.402 5.988 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.167 5.197 3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.609 4.826 3.021 1.00 0.00 H new ATOM 261 N LEU A 16 10.855 -0.183 3.609 1.00 0.00 N ATOM 262 CA LEU A 16 10.949 -1.471 4.272 1.00 0.00 C ATOM 263 C LEU A 16 10.500 -2.574 3.325 1.00 0.00 C ATOM 264 O LEU A 16 9.502 -2.428 2.611 1.00 0.00 O ATOM 265 CB LEU A 16 10.113 -1.519 5.562 1.00 0.00 C ATOM 266 CG LEU A 16 8.600 -1.368 5.383 1.00 0.00 C ATOM 267 CD1 LEU A 16 7.867 -2.269 6.360 1.00 0.00 C ATOM 268 CD2 LEU A 16 8.177 0.079 5.590 1.00 0.00 C ATOM 0 H LEU A 16 10.258 -0.181 2.782 1.00 0.00 H new ATOM 0 HA LEU A 16 11.992 -1.622 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.307 -2.467 6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.461 -0.729 6.228 1.00 0.00 H new ATOM 0 HG LEU A 16 8.342 -1.662 4.365 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.792 -2.154 6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.147 -3.307 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.136 -1.994 7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.098 0.165 5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.446 0.396 6.597 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.683 0.714 4.863 1.00 0.00 H new ATOM 280 N THR A 17 11.260 -3.653 3.291 1.00 0.00 N ATOM 281 CA THR A 17 10.883 -4.821 2.520 1.00 0.00 C ATOM 282 C THR A 17 9.827 -5.615 3.285 1.00 0.00 C ATOM 283 O THR A 17 10.141 -6.292 4.265 1.00 0.00 O ATOM 284 CB THR A 17 12.102 -5.720 2.237 1.00 0.00 C ATOM 285 OG1 THR A 17 13.196 -4.927 1.749 1.00 0.00 O ATOM 286 CG2 THR A 17 11.760 -6.795 1.213 1.00 0.00 C ATOM 0 H THR A 17 12.145 -3.744 3.790 1.00 0.00 H new ATOM 0 HA THR A 17 10.479 -4.486 1.565 1.00 0.00 H new ATOM 0 HB THR A 17 12.388 -6.205 3.170 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.967 -5.506 1.573 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.637 -7.416 1.031 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.949 -7.415 1.594 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.449 -6.324 0.281 1.00 0.00 H new ATOM 294 N LEU A 18 8.576 -5.504 2.849 1.00 0.00 N ATOM 295 CA LEU A 18 7.457 -6.136 3.541 1.00 0.00 C ATOM 296 C LEU A 18 7.669 -7.636 3.682 1.00 0.00 C ATOM 297 O LEU A 18 7.720 -8.163 4.796 1.00 0.00 O ATOM 298 CB LEU A 18 6.145 -5.869 2.802 1.00 0.00 C ATOM 299 CG LEU A 18 5.715 -4.405 2.731 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.392 -4.291 1.996 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.600 -3.818 4.128 1.00 0.00 C ATOM 0 H LEU A 18 8.311 -4.980 2.015 1.00 0.00 H new ATOM 0 HA LEU A 18 7.402 -5.700 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.237 -6.252 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.353 -6.439 3.287 1.00 0.00 H new ATOM 0 HG LEU A 18 6.471 -3.841 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.091 -3.244 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.503 -4.683 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.631 -4.864 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.293 -2.774 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.859 -4.378 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.566 -3.880 4.629 1.00 0.00 H new ATOM 313 N SER A 19 7.814 -8.320 2.556 1.00 0.00 N ATOM 314 CA SER A 19 7.990 -9.762 2.557 1.00 0.00 C ATOM 315 C SER A 19 8.349 -10.245 1.157 1.00 0.00 C ATOM 316 O SER A 19 8.492 -9.446 0.230 1.00 0.00 O ATOM 317 CB SER A 19 6.707 -10.447 3.056 1.00 0.00 C ATOM 318 OG SER A 19 6.887 -11.847 3.214 1.00 0.00 O ATOM 0 H SER A 19 7.813 -7.896 1.628 1.00 0.00 H new ATOM 0 HA SER A 19 8.806 -10.023 3.231 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.407 -10.009 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.897 -10.261 2.350 1.00 0.00 H new ATOM 0 HG SER A 19 6.053 -12.250 3.534 1.00 0.00 H new ATOM 324 N GLU A 20 8.498 -11.549 1.019 1.00 0.00 N ATOM 325 CA GLU A 20 8.802 -12.173 -0.255 1.00 0.00 C ATOM 326 C GLU A 20 7.907 -13.396 -0.416 1.00 0.00 C ATOM 327 O GLU A 20 7.973 -14.328 0.387 1.00 0.00 O ATOM 328 CB GLU A 20 10.284 -12.556 -0.310 1.00 0.00 C ATOM 329 CG GLU A 20 10.727 -13.144 -1.636 1.00 0.00 C ATOM 330 CD GLU A 20 11.190 -14.575 -1.502 1.00 0.00 C ATOM 331 OE1 GLU A 20 12.348 -14.795 -1.097 1.00 0.00 O ATOM 332 OE2 GLU A 20 10.395 -15.489 -1.794 1.00 0.00 O ATOM 0 H GLU A 20 8.411 -12.209 1.792 1.00 0.00 H new ATOM 0 HA GLU A 20 8.612 -11.480 -1.075 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.884 -11.671 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.491 -13.277 0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.901 -13.097 -2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.536 -12.540 -2.047 1.00 0.00 H new ATOM 339 N ASN A 21 7.055 -13.377 -1.429 1.00 0.00 N ATOM 340 CA ASN A 21 6.022 -14.398 -1.573 1.00 0.00 C ATOM 341 C ASN A 21 6.267 -15.279 -2.788 1.00 0.00 C ATOM 342 O ASN A 21 6.924 -14.866 -3.749 1.00 0.00 O ATOM 343 CB ASN A 21 4.632 -13.758 -1.693 1.00 0.00 C ATOM 344 CG ASN A 21 4.196 -12.993 -0.452 1.00 0.00 C ATOM 345 OD1 ASN A 21 3.438 -12.027 -0.551 1.00 0.00 O ATOM 346 ND2 ASN A 21 4.659 -13.414 0.718 1.00 0.00 N ATOM 0 H ASN A 21 7.056 -12.669 -2.163 1.00 0.00 H new ATOM 0 HA ASN A 21 6.064 -15.017 -0.676 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.628 -13.080 -2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.900 -14.538 -1.902 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.389 -12.934 1.576 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.285 -14.218 0.759 1.00 0.00 H new ATOM 353 N GLU A 22 5.745 -16.505 -2.717 1.00 0.00 N ATOM 354 CA GLU A 22 5.745 -17.442 -3.842 1.00 0.00 C ATOM 355 C GLU A 22 7.159 -17.774 -4.310 1.00 0.00 C ATOM 356 O GLU A 22 7.353 -18.238 -5.439 1.00 0.00 O ATOM 357 CB GLU A 22 4.915 -16.878 -4.996 1.00 0.00 C ATOM 358 CG GLU A 22 3.450 -16.688 -4.638 1.00 0.00 C ATOM 359 CD GLU A 22 2.639 -16.118 -5.779 1.00 0.00 C ATOM 360 OE1 GLU A 22 2.488 -16.810 -6.809 1.00 0.00 O ATOM 361 OE2 GLU A 22 2.145 -14.979 -5.651 1.00 0.00 O ATOM 0 H GLU A 22 5.308 -16.877 -1.874 1.00 0.00 H new ATOM 0 HA GLU A 22 5.294 -18.372 -3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.335 -15.920 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.990 -17.549 -5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.026 -17.647 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.374 -16.024 -3.777 1.00 0.00 H new ATOM 368 N LYS A 23 8.127 -17.570 -3.419 1.00 0.00 N ATOM 369 CA LYS A 23 9.535 -17.823 -3.695 1.00 0.00 C ATOM 370 C LYS A 23 10.030 -16.959 -4.851 1.00 0.00 C ATOM 371 O LYS A 23 10.012 -17.369 -6.013 1.00 0.00 O ATOM 372 CB LYS A 23 9.781 -19.310 -3.982 1.00 0.00 C ATOM 373 CG LYS A 23 11.252 -19.681 -4.057 1.00 0.00 C ATOM 374 CD LYS A 23 11.432 -21.175 -4.242 1.00 0.00 C ATOM 375 CE LYS A 23 12.896 -21.570 -4.179 1.00 0.00 C ATOM 376 NZ LYS A 23 13.070 -23.040 -4.296 1.00 0.00 N ATOM 0 H LYS A 23 7.952 -17.221 -2.477 1.00 0.00 H new ATOM 0 HA LYS A 23 10.103 -17.553 -2.805 1.00 0.00 H new ATOM 0 HB2 LYS A 23 9.304 -19.905 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.300 -19.574 -4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.722 -19.150 -4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.757 -19.361 -3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.877 -21.708 -3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.013 -21.477 -5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.442 -21.073 -4.981 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.326 -21.226 -3.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.082 -23.275 -4.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.569 -23.512 -3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.681 -23.364 -5.204 1.00 0.00 H new ATOM 390 N GLY A 24 10.448 -15.747 -4.522 1.00 0.00 N ATOM 391 CA GLY A 24 10.999 -14.858 -5.520 1.00 0.00 C ATOM 392 C GLY A 24 10.259 -13.540 -5.622 1.00 0.00 C ATOM 393 O GLY A 24 10.885 -12.480 -5.704 1.00 0.00 O ATOM 0 H GLY A 24 10.415 -15.363 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.045 -14.662 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.978 -15.354 -6.490 1.00 0.00 H new ATOM 397 N TRP A 25 8.933 -13.594 -5.603 1.00 0.00 N ATOM 398 CA TRP A 25 8.129 -12.394 -5.780 1.00 0.00 C ATOM 399 C TRP A 25 8.212 -11.521 -4.543 1.00 0.00 C ATOM 400 O TRP A 25 7.537 -11.765 -3.542 1.00 0.00 O ATOM 401 CB TRP A 25 6.677 -12.753 -6.095 1.00 0.00 C ATOM 402 CG TRP A 25 6.500 -13.297 -7.479 1.00 0.00 C ATOM 403 CD1 TRP A 25 6.818 -14.551 -7.917 1.00 0.00 C ATOM 404 CD2 TRP A 25 5.964 -12.600 -8.607 1.00 0.00 C ATOM 405 NE1 TRP A 25 6.520 -14.671 -9.249 1.00 0.00 N ATOM 406 CE2 TRP A 25 5.992 -13.488 -9.696 1.00 0.00 C ATOM 407 CE3 TRP A 25 5.465 -11.308 -8.804 1.00 0.00 C ATOM 408 CZ2 TRP A 25 5.539 -13.130 -10.962 1.00 0.00 C ATOM 409 CZ3 TRP A 25 5.014 -10.954 -10.060 1.00 0.00 C ATOM 410 CH2 TRP A 25 5.054 -11.863 -11.127 1.00 0.00 C ATOM 0 H TRP A 25 8.396 -14.450 -5.468 1.00 0.00 H new ATOM 0 HA TRP A 25 8.526 -11.834 -6.627 1.00 0.00 H new ATOM 0 HB2 TRP A 25 6.325 -13.489 -5.373 1.00 0.00 H new ATOM 0 HB3 TRP A 25 6.054 -11.866 -5.976 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.242 -15.333 -7.304 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.667 -15.506 -9.816 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.433 -10.601 -7.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.570 -13.829 -11.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.624 -9.960 -10.223 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.695 -11.556 -12.098 1.00 0.00 H new ATOM 421 N THR A 26 9.048 -10.505 -4.615 1.00 0.00 N ATOM 422 CA THR A 26 9.319 -9.672 -3.468 1.00 0.00 C ATOM 423 C THR A 26 8.295 -8.545 -3.374 1.00 0.00 C ATOM 424 O THR A 26 7.930 -7.941 -4.379 1.00 0.00 O ATOM 425 CB THR A 26 10.739 -9.098 -3.554 1.00 0.00 C ATOM 426 OG1 THR A 26 11.654 -10.146 -3.916 1.00 0.00 O ATOM 427 CG2 THR A 26 11.164 -8.494 -2.224 1.00 0.00 C ATOM 0 H THR A 26 9.552 -10.238 -5.461 1.00 0.00 H new ATOM 0 HA THR A 26 9.243 -10.283 -2.568 1.00 0.00 H new ATOM 0 HB THR A 26 10.750 -8.312 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.562 -9.782 -3.973 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.174 -8.094 -2.312 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.478 -7.691 -1.953 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.144 -9.263 -1.452 1.00 0.00 H new ATOM 435 N LYS A 27 7.837 -8.275 -2.162 1.00 0.00 N ATOM 436 CA LYS A 27 6.812 -7.274 -1.928 1.00 0.00 C ATOM 437 C LYS A 27 7.331 -6.242 -0.939 1.00 0.00 C ATOM 438 O LYS A 27 7.710 -6.592 0.180 1.00 0.00 O ATOM 439 CB LYS A 27 5.556 -7.951 -1.376 1.00 0.00 C ATOM 440 CG LYS A 27 4.352 -7.034 -1.270 1.00 0.00 C ATOM 441 CD LYS A 27 3.166 -7.747 -0.637 1.00 0.00 C ATOM 442 CE LYS A 27 2.812 -9.023 -1.382 1.00 0.00 C ATOM 443 NZ LYS A 27 1.663 -9.726 -0.755 1.00 0.00 N ATOM 0 H LYS A 27 8.165 -8.742 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 27 6.563 -6.775 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.301 -8.795 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.779 -8.356 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.611 -6.158 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.076 -6.676 -2.262 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.397 -7.984 0.402 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.304 -7.080 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.571 -8.784 -2.418 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.677 -9.685 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.812 -10.754 -0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.584 -9.441 0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.787 -9.476 -1.257 1.00 0.00 H new ATOM 457 N GLU A 28 7.359 -4.983 -1.343 1.00 0.00 N ATOM 458 CA GLU A 28 7.945 -3.945 -0.508 1.00 0.00 C ATOM 459 C GLU A 28 7.288 -2.591 -0.739 1.00 0.00 C ATOM 460 O GLU A 28 6.381 -2.453 -1.559 1.00 0.00 O ATOM 461 CB GLU A 28 9.437 -3.829 -0.802 1.00 0.00 C ATOM 462 CG GLU A 28 9.732 -3.469 -2.248 1.00 0.00 C ATOM 463 CD GLU A 28 11.187 -3.157 -2.477 1.00 0.00 C ATOM 464 OE1 GLU A 28 11.643 -2.090 -2.017 1.00 0.00 O ATOM 465 OE2 GLU A 28 11.879 -3.970 -3.123 1.00 0.00 O ATOM 0 H GLU A 28 6.987 -4.656 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 28 7.782 -4.230 0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 28 9.872 -3.072 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.923 -4.775 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.435 -4.296 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.129 -2.608 -2.535 1.00 0.00 H new ATOM 472 N ILE A 29 7.767 -1.600 0.003 1.00 0.00 N ATOM 473 CA ILE A 29 7.359 -0.216 -0.170 1.00 0.00 C ATOM 474 C ILE A 29 8.611 0.650 -0.252 1.00 0.00 C ATOM 475 O ILE A 29 9.421 0.660 0.676 1.00 0.00 O ATOM 476 CB ILE A 29 6.482 0.277 1.005 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.306 -0.679 1.228 1.00 0.00 C ATOM 478 CG2 ILE A 29 5.974 1.687 0.735 1.00 0.00 C ATOM 479 CD1 ILE A 29 4.452 -0.333 2.428 1.00 0.00 C ATOM 0 H ILE A 29 8.453 -1.737 0.745 1.00 0.00 H new ATOM 0 HA ILE A 29 6.767 -0.143 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 29 7.092 0.296 1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.679 -0.681 0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.692 -1.691 1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.359 2.018 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.821 2.363 0.618 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.378 1.690 -0.178 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.641 -1.056 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.064 -0.360 3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.035 0.666 2.302 1.00 0.00 H new ATOM 491 N ASN A 30 8.786 1.358 -1.356 1.00 0.00 N ATOM 492 CA ASN A 30 10.001 2.137 -1.555 1.00 0.00 C ATOM 493 C ASN A 30 9.707 3.446 -2.282 1.00 0.00 C ATOM 494 O ASN A 30 8.555 3.760 -2.579 1.00 0.00 O ATOM 495 CB ASN A 30 11.041 1.316 -2.331 1.00 0.00 C ATOM 496 CG ASN A 30 10.631 1.037 -3.763 1.00 0.00 C ATOM 497 OD1 ASN A 30 10.927 1.814 -4.664 1.00 0.00 O ATOM 498 ND2 ASN A 30 9.962 -0.084 -3.981 1.00 0.00 N ATOM 0 H ASN A 30 8.113 1.411 -2.120 1.00 0.00 H new ATOM 0 HA ASN A 30 10.407 2.383 -0.574 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.991 1.850 -2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.206 0.370 -1.816 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.672 -0.329 -4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.736 -0.703 -3.202 1.00 0.00 H new ATOM 505 N ARG A 31 10.756 4.218 -2.531 1.00 0.00 N ATOM 506 CA ARG A 31 10.634 5.489 -3.233 1.00 0.00 C ATOM 507 C ARG A 31 11.170 5.379 -4.652 1.00 0.00 C ATOM 508 O ARG A 31 12.350 5.086 -4.855 1.00 0.00 O ATOM 509 CB ARG A 31 11.408 6.581 -2.493 1.00 0.00 C ATOM 510 CG ARG A 31 10.721 7.098 -1.241 1.00 0.00 C ATOM 511 CD ARG A 31 11.598 8.104 -0.511 1.00 0.00 C ATOM 512 NE ARG A 31 12.157 9.114 -1.414 1.00 0.00 N ATOM 513 CZ ARG A 31 12.222 10.417 -1.139 1.00 0.00 C ATOM 514 NH1 ARG A 31 11.709 10.896 -0.012 1.00 0.00 N ATOM 515 NH2 ARG A 31 12.800 11.239 -1.999 1.00 0.00 N ATOM 0 H ARG A 31 11.709 3.983 -2.254 1.00 0.00 H new ATOM 0 HA ARG A 31 9.576 5.748 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.389 6.193 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.574 7.416 -3.173 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.773 7.564 -1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.490 6.264 -0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.012 8.598 0.264 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.411 7.578 -0.010 1.00 0.00 H new ATOM 0 HE ARG A 31 12.521 8.799 -2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.260 10.266 0.652 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.764 11.894 0.189 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.193 10.875 -2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.853 12.237 -1.794 1.00 0.00 H new ATOM 529 N VAL A 32 10.306 5.622 -5.627 1.00 0.00 N ATOM 530 CA VAL A 32 10.714 5.619 -7.025 1.00 0.00 C ATOM 531 C VAL A 32 10.582 7.018 -7.616 1.00 0.00 C ATOM 532 O VAL A 32 9.503 7.614 -7.584 1.00 0.00 O ATOM 533 CB VAL A 32 9.875 4.631 -7.867 1.00 0.00 C ATOM 534 CG1 VAL A 32 10.395 4.560 -9.296 1.00 0.00 C ATOM 535 CG2 VAL A 32 9.868 3.249 -7.234 1.00 0.00 C ATOM 0 H VAL A 32 9.318 5.824 -5.476 1.00 0.00 H new ATOM 0 HA VAL A 32 11.755 5.298 -7.056 1.00 0.00 H new ATOM 0 HB VAL A 32 8.850 5.000 -7.893 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.789 3.858 -9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.337 5.548 -9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.432 4.223 -9.290 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.271 2.572 -7.845 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.889 2.874 -7.168 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.439 3.309 -6.234 1.00 0.00 H new ATOM 545 N SER A 33 11.683 7.551 -8.121 1.00 0.00 N ATOM 546 CA SER A 33 11.670 8.841 -8.781 1.00 0.00 C ATOM 547 C SER A 33 11.449 8.658 -10.275 1.00 0.00 C ATOM 548 O SER A 33 11.882 7.664 -10.860 1.00 0.00 O ATOM 549 CB SER A 33 12.978 9.590 -8.503 1.00 0.00 C ATOM 550 OG SER A 33 14.102 8.759 -8.725 1.00 0.00 O ATOM 0 H SER A 33 12.600 7.105 -8.085 1.00 0.00 H new ATOM 0 HA SER A 33 10.849 9.439 -8.386 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.040 10.469 -9.145 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.984 9.946 -7.473 1.00 0.00 H new ATOM 0 HG SER A 33 14.922 9.263 -8.542 1.00 0.00 H new ATOM 556 N PHE A 34 10.750 9.601 -10.884 1.00 0.00 N ATOM 557 CA PHE A 34 10.425 9.509 -12.297 1.00 0.00 C ATOM 558 C PHE A 34 10.930 10.736 -13.041 1.00 0.00 C ATOM 559 O PHE A 34 10.571 11.861 -12.692 1.00 0.00 O ATOM 560 CB PHE A 34 8.911 9.368 -12.492 1.00 0.00 C ATOM 561 CG PHE A 34 8.327 8.152 -11.834 1.00 0.00 C ATOM 562 CD1 PHE A 34 8.435 6.907 -12.431 1.00 0.00 C ATOM 563 CD2 PHE A 34 7.663 8.257 -10.623 1.00 0.00 C ATOM 564 CE1 PHE A 34 7.893 5.787 -11.831 1.00 0.00 C ATOM 565 CE2 PHE A 34 7.118 7.142 -10.017 1.00 0.00 C ATOM 566 CZ PHE A 34 7.233 5.905 -10.623 1.00 0.00 C ATOM 0 H PHE A 34 10.397 10.439 -10.422 1.00 0.00 H new ATOM 0 HA PHE A 34 10.916 8.624 -12.702 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.419 10.256 -12.096 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.693 9.332 -13.559 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.949 6.811 -13.376 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.570 9.222 -10.147 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.985 4.821 -12.305 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.603 7.236 -9.072 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.807 5.031 -10.152 1.00 0.00 H new ATOM 576 N ASN A 35 11.784 10.492 -14.042 1.00 0.00 N ATOM 577 CA ASN A 35 12.313 11.528 -14.950 1.00 0.00 C ATOM 578 C ASN A 35 12.821 12.769 -14.210 1.00 0.00 C ATOM 579 O ASN A 35 12.805 13.877 -14.749 1.00 0.00 O ATOM 580 CB ASN A 35 11.280 11.929 -16.027 1.00 0.00 C ATOM 581 CG ASN A 35 10.021 12.594 -15.482 1.00 0.00 C ATOM 582 OD1 ASN A 35 9.981 13.806 -15.273 1.00 0.00 O ATOM 583 ND2 ASN A 35 8.975 11.808 -15.280 1.00 0.00 N ATOM 0 H ASN A 35 12.135 9.557 -14.251 1.00 0.00 H new ATOM 0 HA ASN A 35 13.171 11.074 -15.446 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.757 12.608 -16.734 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.992 11.038 -16.585 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.098 12.203 -14.940 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.046 10.807 -15.464 1.00 0.00 H new ATOM 590 N GLY A 36 13.315 12.577 -12.999 1.00 0.00 N ATOM 591 CA GLY A 36 13.817 13.691 -12.223 1.00 0.00 C ATOM 592 C GLY A 36 14.096 13.312 -10.788 1.00 0.00 C ATOM 593 O GLY A 36 14.322 12.143 -10.482 1.00 0.00 O ATOM 0 H GLY A 36 13.378 11.669 -12.538 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.732 14.067 -12.681 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.091 14.504 -12.247 1.00 0.00 H new ATOM 597 N ALA A 37 14.080 14.303 -9.907 1.00 0.00 N ATOM 598 CA ALA A 37 14.356 14.081 -8.492 1.00 0.00 C ATOM 599 C ALA A 37 13.109 13.633 -7.716 1.00 0.00 C ATOM 600 O ALA A 37 13.164 12.621 -7.019 1.00 0.00 O ATOM 601 CB ALA A 37 14.966 15.326 -7.858 1.00 0.00 C ATOM 0 H ALA A 37 13.878 15.273 -10.148 1.00 0.00 H new ATOM 0 HA ALA A 37 15.079 13.267 -8.433 1.00 0.00 H new ATOM 0 HB1 ALA A 37 15.163 15.137 -6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.900 15.571 -8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.271 16.161 -7.954 1.00 0.00 H new ATOM 607 N PRO A 38 11.978 14.378 -7.812 1.00 0.00 N ATOM 608 CA PRO A 38 10.739 14.065 -7.085 1.00 0.00 C ATOM 609 C PRO A 38 10.337 12.597 -7.191 1.00 0.00 C ATOM 610 O PRO A 38 10.041 12.090 -8.280 1.00 0.00 O ATOM 611 CB PRO A 38 9.676 14.965 -7.747 1.00 0.00 C ATOM 612 CG PRO A 38 10.343 15.567 -8.939 1.00 0.00 C ATOM 613 CD PRO A 38 11.808 15.586 -8.623 1.00 0.00 C ATOM 0 HA PRO A 38 10.857 14.243 -6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.800 14.386 -8.039 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.333 15.737 -7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.144 14.980 -9.836 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.971 16.574 -9.128 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.417 15.556 -9.526 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.093 16.485 -8.076 1.00 0.00 H new ATOM 621 N ALA A 39 10.339 11.918 -6.052 1.00 0.00 N ATOM 622 CA ALA A 39 9.988 10.510 -5.999 1.00 0.00 C ATOM 623 C ALA A 39 8.588 10.312 -5.436 1.00 0.00 C ATOM 624 O ALA A 39 8.009 11.223 -4.841 1.00 0.00 O ATOM 625 CB ALA A 39 11.000 9.743 -5.166 1.00 0.00 C ATOM 0 H ALA A 39 10.582 12.325 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 39 10.002 10.123 -7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 39 10.723 8.689 -5.136 1.00 0.00 H new ATOM 0 HB2 ALA A 39 11.990 9.845 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.015 10.143 -4.152 1.00 0.00 H new ATOM 631 N LYS A 40 8.050 9.121 -5.630 1.00 0.00 N ATOM 632 CA LYS A 40 6.732 8.787 -5.122 1.00 0.00 C ATOM 633 C LYS A 40 6.826 7.544 -4.244 1.00 0.00 C ATOM 634 O LYS A 40 7.712 6.710 -4.442 1.00 0.00 O ATOM 635 CB LYS A 40 5.773 8.538 -6.291 1.00 0.00 C ATOM 636 CG LYS A 40 4.318 8.841 -5.981 1.00 0.00 C ATOM 637 CD LYS A 40 4.106 10.323 -5.716 1.00 0.00 C ATOM 638 CE LYS A 40 2.630 10.677 -5.647 1.00 0.00 C ATOM 639 NZ LYS A 40 2.422 12.123 -5.368 1.00 0.00 N ATOM 0 H LYS A 40 8.509 8.365 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 40 6.351 9.616 -4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.086 9.147 -7.139 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.857 7.496 -6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.693 8.526 -6.816 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.002 8.265 -5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.590 10.598 -4.779 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.583 10.905 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.149 10.416 -6.590 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.150 10.084 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.533 12.251 -4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.214 12.484 -4.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.373 12.646 -6.265 1.00 0.00 H new ATOM 653 N PHE A 41 5.937 7.434 -3.266 1.00 0.00 N ATOM 654 CA PHE A 41 5.884 6.247 -2.423 1.00 0.00 C ATOM 655 C PHE A 41 5.180 5.132 -3.179 1.00 0.00 C ATOM 656 O PHE A 41 3.997 5.241 -3.484 1.00 0.00 O ATOM 657 CB PHE A 41 5.138 6.540 -1.117 1.00 0.00 C ATOM 658 CG PHE A 41 5.749 7.636 -0.287 1.00 0.00 C ATOM 659 CD1 PHE A 41 6.798 7.367 0.578 1.00 0.00 C ATOM 660 CD2 PHE A 41 5.271 8.933 -0.368 1.00 0.00 C ATOM 661 CE1 PHE A 41 7.359 8.370 1.344 1.00 0.00 C ATOM 662 CE2 PHE A 41 5.828 9.941 0.396 1.00 0.00 C ATOM 663 CZ PHE A 41 6.873 9.659 1.254 1.00 0.00 C ATOM 0 H PHE A 41 5.246 8.148 -3.037 1.00 0.00 H new ATOM 0 HA PHE A 41 6.901 5.944 -2.174 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.109 6.810 -1.353 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.100 5.628 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.182 6.360 0.654 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.453 9.160 -1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.177 8.146 2.013 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.446 10.949 0.322 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.309 10.445 1.853 1.00 0.00 H new ATOM 673 N ASP A 42 5.898 4.069 -3.485 1.00 0.00 N ATOM 674 CA ASP A 42 5.332 2.997 -4.291 1.00 0.00 C ATOM 675 C ASP A 42 5.308 1.685 -3.522 1.00 0.00 C ATOM 676 O ASP A 42 6.333 1.226 -3.014 1.00 0.00 O ATOM 677 CB ASP A 42 6.124 2.837 -5.592 1.00 0.00 C ATOM 678 CG ASP A 42 5.497 1.834 -6.543 1.00 0.00 C ATOM 679 OD1 ASP A 42 4.523 2.193 -7.243 1.00 0.00 O ATOM 680 OD2 ASP A 42 5.985 0.692 -6.615 1.00 0.00 O ATOM 0 H ASP A 42 6.864 3.922 -3.193 1.00 0.00 H new ATOM 0 HA ASP A 42 4.303 3.264 -4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.198 3.805 -6.088 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.140 2.521 -5.357 1.00 0.00 H new ATOM 685 N ILE A 43 4.122 1.107 -3.414 1.00 0.00 N ATOM 686 CA ILE A 43 3.950 -0.198 -2.791 1.00 0.00 C ATOM 687 C ILE A 43 3.792 -1.239 -3.887 1.00 0.00 C ATOM 688 O ILE A 43 2.761 -1.279 -4.560 1.00 0.00 O ATOM 689 CB ILE A 43 2.703 -0.230 -1.877 1.00 0.00 C ATOM 690 CG1 ILE A 43 2.744 0.930 -0.875 1.00 0.00 C ATOM 691 CG2 ILE A 43 2.607 -1.569 -1.149 1.00 0.00 C ATOM 692 CD1 ILE A 43 1.516 1.015 0.005 1.00 0.00 C ATOM 0 H ILE A 43 3.256 1.525 -3.753 1.00 0.00 H new ATOM 0 HA ILE A 43 4.824 -0.408 -2.175 1.00 0.00 H new ATOM 0 HB ILE A 43 1.815 -0.115 -2.499 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.626 0.823 -0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.855 1.867 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.724 -1.573 -0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.531 -2.375 -1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.497 -1.715 -0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.616 1.859 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.632 1.154 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.415 0.094 0.579 1.00 0.00 H new ATOM 704 N ARG A 44 4.806 -2.071 -4.079 1.00 0.00 N ATOM 705 CA ARG A 44 4.833 -2.953 -5.237 1.00 0.00 C ATOM 706 C ARG A 44 5.420 -4.320 -4.915 1.00 0.00 C ATOM 707 O ARG A 44 6.314 -4.455 -4.077 1.00 0.00 O ATOM 708 CB ARG A 44 5.642 -2.288 -6.351 1.00 0.00 C ATOM 709 CG ARG A 44 5.543 -2.982 -7.699 1.00 0.00 C ATOM 710 CD ARG A 44 6.101 -2.103 -8.807 1.00 0.00 C ATOM 711 NE ARG A 44 5.519 -0.768 -8.754 1.00 0.00 N ATOM 712 CZ ARG A 44 4.750 -0.242 -9.702 1.00 0.00 C ATOM 713 NH1 ARG A 44 4.547 -0.889 -10.846 1.00 0.00 N ATOM 714 NH2 ARG A 44 4.202 0.949 -9.510 1.00 0.00 N ATOM 0 H ARG A 44 5.610 -2.154 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 44 3.804 -3.117 -5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.306 -1.257 -6.461 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.689 -2.252 -6.051 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.090 -3.925 -7.668 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.502 -3.224 -7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.185 -2.036 -8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.893 -2.557 -9.776 1.00 0.00 H new ATOM 0 HE ARG A 44 5.716 -0.197 -7.932 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.983 -1.798 -11.002 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.955 -0.477 -11.567 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.372 1.454 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.610 1.361 -10.232 1.00 0.00 H new ATOM 728 N ALA A 45 4.885 -5.333 -5.580 1.00 0.00 N ATOM 729 CA ALA A 45 5.448 -6.668 -5.553 1.00 0.00 C ATOM 730 C ALA A 45 6.030 -6.983 -6.925 1.00 0.00 C ATOM 731 O ALA A 45 5.296 -7.056 -7.912 1.00 0.00 O ATOM 732 CB ALA A 45 4.385 -7.690 -5.168 1.00 0.00 C ATOM 0 H ALA A 45 4.046 -5.249 -6.154 1.00 0.00 H new ATOM 0 HA ALA A 45 6.239 -6.717 -4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.827 -8.686 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.993 -7.452 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.574 -7.663 -5.896 1.00 0.00 H new ATOM 738 N TRP A 46 7.341 -7.141 -6.991 1.00 0.00 N ATOM 739 CA TRP A 46 8.017 -7.280 -8.269 1.00 0.00 C ATOM 740 C TRP A 46 8.583 -8.681 -8.474 1.00 0.00 C ATOM 741 O TRP A 46 8.903 -9.389 -7.515 1.00 0.00 O ATOM 742 CB TRP A 46 9.120 -6.219 -8.413 1.00 0.00 C ATOM 743 CG TRP A 46 10.048 -6.115 -7.234 1.00 0.00 C ATOM 744 CD1 TRP A 46 9.904 -5.296 -6.148 1.00 0.00 C ATOM 745 CD2 TRP A 46 11.271 -6.835 -7.032 1.00 0.00 C ATOM 746 NE1 TRP A 46 10.962 -5.462 -5.287 1.00 0.00 N ATOM 747 CE2 TRP A 46 11.810 -6.403 -5.804 1.00 0.00 C ATOM 748 CE3 TRP A 46 11.961 -7.804 -7.765 1.00 0.00 C ATOM 749 CZ2 TRP A 46 13.006 -6.905 -5.300 1.00 0.00 C ATOM 750 CZ3 TRP A 46 13.148 -8.302 -7.261 1.00 0.00 C ATOM 751 CH2 TRP A 46 13.659 -7.853 -6.039 1.00 0.00 C ATOM 0 H TRP A 46 7.956 -7.176 -6.178 1.00 0.00 H new ATOM 0 HA TRP A 46 7.272 -7.121 -9.048 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.708 -6.444 -9.303 1.00 0.00 H new ATOM 0 HB3 TRP A 46 8.653 -5.248 -8.577 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.079 -4.617 -5.990 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.094 -4.965 -4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.574 -8.158 -8.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.405 -6.558 -4.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 13.690 -9.050 -7.820 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.588 -8.263 -5.671 1.00 0.00 H new ATOM 762 N SER A 47 8.673 -9.069 -9.739 1.00 0.00 N ATOM 763 CA SER A 47 9.238 -10.351 -10.126 1.00 0.00 C ATOM 764 C SER A 47 10.765 -10.280 -10.068 1.00 0.00 C ATOM 765 O SER A 47 11.352 -9.255 -10.414 1.00 0.00 O ATOM 766 CB SER A 47 8.756 -10.709 -11.537 1.00 0.00 C ATOM 767 OG SER A 47 9.244 -11.971 -11.957 1.00 0.00 O ATOM 0 H SER A 47 8.356 -8.502 -10.525 1.00 0.00 H new ATOM 0 HA SER A 47 8.908 -11.128 -9.437 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.666 -10.716 -11.558 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.083 -9.941 -12.238 1.00 0.00 H new ATOM 0 HG SER A 47 8.915 -12.165 -12.859 1.00 0.00 H new ATOM 877 N LYS A 55 1.984 -6.210 -9.122 1.00 0.00 N ATOM 878 CA LYS A 55 1.020 -5.273 -8.578 1.00 0.00 C ATOM 879 C LYS A 55 1.726 -4.201 -7.763 1.00 0.00 C ATOM 880 O LYS A 55 2.537 -4.511 -6.889 1.00 0.00 O ATOM 881 CB LYS A 55 -0.017 -6.003 -7.723 1.00 0.00 C ATOM 882 CG LYS A 55 -0.897 -6.959 -8.517 1.00 0.00 C ATOM 883 CD LYS A 55 -2.051 -7.493 -7.683 1.00 0.00 C ATOM 884 CE LYS A 55 -2.956 -6.372 -7.201 1.00 0.00 C ATOM 885 NZ LYS A 55 -4.136 -6.887 -6.460 1.00 0.00 N ATOM 0 HA LYS A 55 0.501 -4.791 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.497 -6.561 -6.940 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.650 -5.267 -7.227 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.290 -6.446 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.294 -7.792 -8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.631 -8.201 -8.274 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.659 -8.040 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.389 -5.700 -6.557 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.293 -5.785 -8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.624 -6.097 -5.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.787 -7.352 -7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.824 -7.574 -5.744 1.00 0.00 H new ATOM 899 N GLY A 56 1.421 -2.950 -8.064 1.00 0.00 N ATOM 900 CA GLY A 56 2.049 -1.842 -7.379 1.00 0.00 C ATOM 901 C GLY A 56 1.300 -0.547 -7.599 1.00 0.00 C ATOM 902 O GLY A 56 0.755 -0.318 -8.682 1.00 0.00 O ATOM 0 H GLY A 56 0.743 -2.680 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.099 -2.056 -6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.075 -1.732 -7.730 1.00 0.00 H new ATOM 906 N ILE A 57 1.263 0.297 -6.577 1.00 0.00 N ATOM 907 CA ILE A 57 0.546 1.560 -6.655 1.00 0.00 C ATOM 908 C ILE A 57 1.294 2.661 -5.901 1.00 0.00 C ATOM 909 O ILE A 57 1.928 2.407 -4.873 1.00 0.00 O ATOM 910 CB ILE A 57 -0.899 1.421 -6.110 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.676 2.734 -6.285 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.887 0.998 -4.644 1.00 0.00 C ATOM 913 CD1 ILE A 57 -3.157 2.603 -6.015 1.00 0.00 C ATOM 0 H ILE A 57 1.723 0.128 -5.682 1.00 0.00 H new ATOM 0 HA ILE A 57 0.487 1.839 -7.707 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.403 0.645 -6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.258 3.485 -5.615 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.532 3.099 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.912 0.907 -4.283 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.381 0.037 -4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.360 1.747 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.640 3.570 -6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.589 1.876 -6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.312 2.269 -4.989 1.00 0.00 H new ATOM 925 N THR A 58 1.219 3.877 -6.428 1.00 0.00 N ATOM 926 CA THR A 58 1.915 5.012 -5.850 1.00 0.00 C ATOM 927 C THR A 58 1.004 5.823 -4.930 1.00 0.00 C ATOM 928 O THR A 58 -0.182 6.021 -5.218 1.00 0.00 O ATOM 929 CB THR A 58 2.470 5.930 -6.958 1.00 0.00 C ATOM 930 OG1 THR A 58 1.436 6.236 -7.907 1.00 0.00 O ATOM 931 CG2 THR A 58 3.644 5.284 -7.676 1.00 0.00 C ATOM 0 H THR A 58 0.677 4.100 -7.263 1.00 0.00 H new ATOM 0 HA THR A 58 2.740 4.616 -5.257 1.00 0.00 H new ATOM 0 HB THR A 58 2.820 6.848 -6.486 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.796 6.821 -8.606 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.012 5.957 -8.451 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.442 5.083 -6.961 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.321 4.348 -8.132 1.00 0.00 H new ATOM 939 N LEU A 59 1.566 6.286 -3.824 1.00 0.00 N ATOM 940 CA LEU A 59 0.844 7.127 -2.883 1.00 0.00 C ATOM 941 C LEU A 59 1.578 8.451 -2.686 1.00 0.00 C ATOM 942 O LEU A 59 2.804 8.520 -2.822 1.00 0.00 O ATOM 943 CB LEU A 59 0.688 6.418 -1.533 1.00 0.00 C ATOM 944 CG LEU A 59 -0.105 5.109 -1.560 1.00 0.00 C ATOM 945 CD1 LEU A 59 -0.137 4.479 -0.175 1.00 0.00 C ATOM 946 CD2 LEU A 59 -1.519 5.353 -2.065 1.00 0.00 C ATOM 0 H LEU A 59 2.530 6.091 -3.555 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.147 7.323 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.681 6.212 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.201 7.102 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 59 0.391 4.419 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.705 3.549 -0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.881 4.270 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.611 5.166 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.068 4.412 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.024 6.059 -1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.479 5.763 -3.074 1.00 0.00 H new ATOM 958 N SER A 60 0.828 9.498 -2.384 1.00 0.00 N ATOM 959 CA SER A 60 1.407 10.804 -2.113 1.00 0.00 C ATOM 960 C SER A 60 1.765 10.915 -0.631 1.00 0.00 C ATOM 961 O SER A 60 1.303 10.112 0.175 1.00 0.00 O ATOM 962 CB SER A 60 0.414 11.892 -2.509 1.00 0.00 C ATOM 963 OG SER A 60 -0.113 11.641 -3.801 1.00 0.00 O ATOM 0 H SER A 60 -0.190 9.468 -2.320 1.00 0.00 H new ATOM 0 HA SER A 60 2.318 10.929 -2.698 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.397 11.934 -1.782 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.907 12.864 -2.494 1.00 0.00 H new ATOM 0 HG SER A 60 -0.767 10.913 -3.752 1.00 0.00 H new ATOM 969 N ASN A 61 2.570 11.911 -0.269 1.00 0.00 N ATOM 970 CA ASN A 61 3.059 12.033 1.107 1.00 0.00 C ATOM 971 C ASN A 61 1.921 12.292 2.094 1.00 0.00 C ATOM 972 O ASN A 61 1.945 11.789 3.219 1.00 0.00 O ATOM 973 CB ASN A 61 4.141 13.121 1.229 1.00 0.00 C ATOM 974 CG ASN A 61 3.643 14.525 0.927 1.00 0.00 C ATOM 975 OD1 ASN A 61 3.673 14.971 -0.218 1.00 0.00 O ATOM 976 ND2 ASN A 61 3.212 15.241 1.955 1.00 0.00 N ATOM 0 H ASN A 61 2.897 12.641 -0.902 1.00 0.00 H new ATOM 0 HA ASN A 61 3.512 11.076 1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.549 13.101 2.239 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.959 12.883 0.550 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.890 16.198 1.811 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.202 14.835 2.891 1.00 0.00 H new ATOM 983 N GLU A 62 0.921 13.057 1.674 1.00 0.00 N ATOM 984 CA GLU A 62 -0.224 13.329 2.530 1.00 0.00 C ATOM 985 C GLU A 62 -1.094 12.080 2.662 1.00 0.00 C ATOM 986 O GLU A 62 -1.541 11.738 3.758 1.00 0.00 O ATOM 987 CB GLU A 62 -1.052 14.526 2.019 1.00 0.00 C ATOM 988 CG GLU A 62 -1.451 14.462 0.547 1.00 0.00 C ATOM 989 CD GLU A 62 -0.373 14.987 -0.380 1.00 0.00 C ATOM 990 OE1 GLU A 62 0.560 14.229 -0.702 1.00 0.00 O ATOM 991 OE2 GLU A 62 -0.454 16.167 -0.789 1.00 0.00 O ATOM 0 H GLU A 62 0.880 13.496 0.754 1.00 0.00 H new ATOM 0 HA GLU A 62 0.154 13.599 3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.957 14.604 2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.480 15.439 2.184 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.679 13.430 0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.364 15.039 0.398 1.00 0.00 H new ATOM 998 N GLU A 63 -1.301 11.386 1.550 1.00 0.00 N ATOM 999 CA GLU A 63 -2.094 10.157 1.543 1.00 0.00 C ATOM 1000 C GLU A 63 -1.401 9.079 2.377 1.00 0.00 C ATOM 1001 O GLU A 63 -2.043 8.311 3.102 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.273 9.662 0.103 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.733 10.741 -0.869 1.00 0.00 C ATOM 1004 CD GLU A 63 -2.780 10.251 -2.304 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -1.810 9.603 -2.755 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -3.778 10.514 -2.998 1.00 0.00 O ATOM 0 H GLU A 63 -0.931 11.652 0.637 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.072 10.366 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.328 9.249 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.998 8.848 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.723 11.091 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.060 11.596 -0.803 1.00 0.00 H new ATOM 1013 N PHE A 64 -0.083 9.055 2.276 1.00 0.00 N ATOM 1014 CA PHE A 64 0.738 8.075 2.966 1.00 0.00 C ATOM 1015 C PHE A 64 0.588 8.216 4.480 1.00 0.00 C ATOM 1016 O PHE A 64 0.307 7.244 5.172 1.00 0.00 O ATOM 1017 CB PHE A 64 2.197 8.264 2.552 1.00 0.00 C ATOM 1018 CG PHE A 64 3.019 7.006 2.581 1.00 0.00 C ATOM 1019 CD1 PHE A 64 2.808 6.010 1.639 1.00 0.00 C ATOM 1020 CD2 PHE A 64 4.009 6.825 3.533 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.571 4.856 1.648 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.772 5.673 3.547 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.552 4.689 2.604 1.00 0.00 C ATOM 0 H PHE A 64 0.449 9.717 1.711 1.00 0.00 H new ATOM 0 HA PHE A 64 0.410 7.073 2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.225 8.679 1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.657 8.999 3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.040 6.137 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.186 7.592 4.272 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.399 4.088 0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.540 5.543 4.295 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.148 3.788 2.615 1.00 0.00 H new ATOM 1033 N GLN A 65 0.755 9.432 4.988 1.00 0.00 N ATOM 1034 CA GLN A 65 0.621 9.683 6.423 1.00 0.00 C ATOM 1035 C GLN A 65 -0.815 9.429 6.880 1.00 0.00 C ATOM 1036 O GLN A 65 -1.054 9.000 8.009 1.00 0.00 O ATOM 1037 CB GLN A 65 1.040 11.117 6.755 1.00 0.00 C ATOM 1038 CG GLN A 65 0.955 11.466 8.235 1.00 0.00 C ATOM 1039 CD GLN A 65 1.754 10.522 9.119 1.00 0.00 C ATOM 1040 OE1 GLN A 65 1.239 9.533 9.629 1.00 0.00 O ATOM 1041 NE2 GLN A 65 3.029 10.818 9.292 1.00 0.00 N ATOM 0 H GLN A 65 0.982 10.257 4.433 1.00 0.00 H new ATOM 0 HA GLN A 65 1.279 8.996 6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.064 11.272 6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.410 11.807 6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.315 12.484 8.383 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.089 11.449 8.547 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.424 11.649 8.852 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.619 10.215 9.865 1.00 0.00 H new ATOM 1050 N THR A 66 -1.764 9.681 5.985 1.00 0.00 N ATOM 1051 CA THR A 66 -3.170 9.432 6.264 1.00 0.00 C ATOM 1052 C THR A 66 -3.391 7.981 6.692 1.00 0.00 C ATOM 1053 O THR A 66 -4.077 7.713 7.682 1.00 0.00 O ATOM 1054 CB THR A 66 -4.044 9.757 5.032 1.00 0.00 C ATOM 1055 OG1 THR A 66 -3.941 11.152 4.719 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.505 9.394 5.269 1.00 0.00 C ATOM 0 H THR A 66 -1.581 10.060 5.056 1.00 0.00 H new ATOM 0 HA THR A 66 -3.466 10.088 7.083 1.00 0.00 H new ATOM 0 HB THR A 66 -3.679 9.160 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.005 11.378 4.537 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.089 9.637 4.381 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.586 8.327 5.476 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.887 9.958 6.120 1.00 0.00 H new ATOM 1064 N MET A 67 -2.781 7.045 5.970 1.00 0.00 N ATOM 1065 CA MET A 67 -2.968 5.631 6.279 1.00 0.00 C ATOM 1066 C MET A 67 -2.113 5.199 7.479 1.00 0.00 C ATOM 1067 O MET A 67 -2.514 4.313 8.231 1.00 0.00 O ATOM 1068 CB MET A 67 -2.707 4.751 5.041 1.00 0.00 C ATOM 1069 CG MET A 67 -1.295 4.803 4.485 1.00 0.00 C ATOM 1070 SD MET A 67 -0.127 3.796 5.415 1.00 0.00 S ATOM 1071 CE MET A 67 1.368 4.089 4.481 1.00 0.00 C ATOM 0 H MET A 67 -2.164 7.235 5.181 1.00 0.00 H new ATOM 0 HA MET A 67 -4.010 5.489 6.564 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.940 3.717 5.297 1.00 0.00 H new ATOM 0 HB3 MET A 67 -3.400 5.048 4.254 1.00 0.00 H new ATOM 0 HG2 MET A 67 -1.308 4.468 3.448 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.951 5.837 4.482 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.617 3.198 3.904 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.215 4.929 3.804 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.185 4.318 5.165 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.960 5.847 7.683 1.00 0.00 N ATOM 1082 CA VAL A 68 -0.091 5.525 8.821 1.00 0.00 C ATOM 1083 C VAL A 68 -0.865 5.652 10.137 1.00 0.00 C ATOM 1084 O VAL A 68 -0.924 4.711 10.943 1.00 0.00 O ATOM 1085 CB VAL A 68 1.165 6.435 8.874 1.00 0.00 C ATOM 1086 CG1 VAL A 68 2.025 6.104 10.090 1.00 0.00 C ATOM 1087 CG2 VAL A 68 1.984 6.288 7.601 1.00 0.00 C ATOM 0 H VAL A 68 -0.609 6.591 7.080 1.00 0.00 H new ATOM 0 HA VAL A 68 0.242 4.496 8.685 1.00 0.00 H new ATOM 0 HB VAL A 68 0.829 7.468 8.959 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.899 6.755 10.105 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.443 6.256 10.999 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.348 5.064 10.035 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.861 6.933 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.303 5.251 7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.376 6.574 6.742 1.00 0.00 H new ATOM 1097 N ASP A 69 -1.481 6.810 10.334 1.00 0.00 N ATOM 1098 CA ASP A 69 -2.240 7.083 11.550 1.00 0.00 C ATOM 1099 C ASP A 69 -3.543 6.278 11.575 1.00 0.00 C ATOM 1100 O ASP A 69 -3.991 5.827 12.630 1.00 0.00 O ATOM 1101 CB ASP A 69 -2.533 8.583 11.657 1.00 0.00 C ATOM 1102 CG ASP A 69 -3.104 8.979 13.006 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -2.313 9.187 13.953 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -4.339 9.102 13.125 1.00 0.00 O ATOM 0 H ASP A 69 -1.470 7.580 9.665 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.641 6.777 12.408 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.614 9.141 11.479 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.235 8.868 10.873 1.00 0.00 H new ATOM 1109 N ALA A 70 -4.135 6.069 10.403 1.00 0.00 N ATOM 1110 CA ALA A 70 -5.372 5.305 10.303 1.00 0.00 C ATOM 1111 C ALA A 70 -5.166 3.856 10.737 1.00 0.00 C ATOM 1112 O ALA A 70 -6.016 3.273 11.409 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.915 5.361 8.888 1.00 0.00 C ATOM 0 H ALA A 70 -3.779 6.417 9.513 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.100 5.756 10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.839 4.786 8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.115 6.397 8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.182 4.940 8.200 1.00 0.00 H new ATOM 1119 N PHE A 71 -4.032 3.277 10.354 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.709 1.911 10.747 1.00 0.00 C ATOM 1121 C PHE A 71 -3.309 1.846 12.211 1.00 0.00 C ATOM 1122 O PHE A 71 -3.434 0.800 12.852 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.615 1.334 9.854 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.082 1.111 8.448 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.327 0.553 8.208 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -2.293 1.467 7.372 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -4.773 0.352 6.921 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -2.735 1.269 6.079 1.00 0.00 C ATOM 1129 CZ PHE A 71 -3.976 0.710 5.855 1.00 0.00 C ATOM 0 H PHE A 71 -3.325 3.730 9.775 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.604 1.302 10.619 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.761 2.011 9.847 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.269 0.389 10.273 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.955 0.272 9.040 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.321 1.905 7.544 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -5.745 -0.085 6.747 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.110 1.551 5.245 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.323 0.553 4.844 1.00 0.00 H new ATOM 1139 N LYS A 72 -2.840 2.973 12.736 1.00 0.00 N ATOM 1140 CA LYS A 72 -2.580 3.108 14.165 1.00 0.00 C ATOM 1141 C LYS A 72 -3.863 2.853 14.948 1.00 0.00 C ATOM 1142 O LYS A 72 -3.860 2.201 15.990 1.00 0.00 O ATOM 1143 CB LYS A 72 -2.058 4.511 14.474 1.00 0.00 C ATOM 1144 CG LYS A 72 -1.890 4.797 15.956 1.00 0.00 C ATOM 1145 CD LYS A 72 -1.781 6.288 16.224 1.00 0.00 C ATOM 1146 CE LYS A 72 -0.527 6.891 15.613 1.00 0.00 C ATOM 1147 NZ LYS A 72 -0.512 8.368 15.767 1.00 0.00 N ATOM 0 H LYS A 72 -2.631 3.809 12.191 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.826 2.377 14.458 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.097 4.647 13.977 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.744 5.244 14.049 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.738 4.388 16.505 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.997 4.293 16.326 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.659 6.793 15.821 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.779 6.463 17.300 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.355 6.464 16.090 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.474 6.632 14.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.460 8.688 15.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.864 8.812 14.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.122 8.640 16.564 1.00 0.00 H new ATOM 1161 N GLY A 73 -4.960 3.359 14.412 1.00 0.00 N ATOM 1162 CA GLY A 73 -6.244 3.205 15.062 1.00 0.00 C ATOM 1163 C GLY A 73 -7.080 2.093 14.454 1.00 0.00 C ATOM 1164 O GLY A 73 -8.273 2.274 14.213 1.00 0.00 O ATOM 0 H GLY A 73 -4.985 3.877 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.088 2.999 16.121 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.794 4.144 14.998 1.00 0.00 H new ATOM 1168 N ASN A 74 -6.465 0.941 14.202 1.00 0.00 N ATOM 1169 CA ASN A 74 -7.196 -0.197 13.647 1.00 0.00 C ATOM 1170 C ASN A 74 -6.442 -1.507 13.860 1.00 0.00 C ATOM 1171 O ASN A 74 -6.896 -2.373 14.607 1.00 0.00 O ATOM 1172 CB ASN A 74 -7.479 0.016 12.155 1.00 0.00 C ATOM 1173 CG ASN A 74 -8.389 -1.053 11.575 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -9.189 -1.660 12.287 1.00 0.00 O ATOM 1175 ND2 ASN A 74 -8.289 -1.274 10.275 1.00 0.00 N ATOM 0 H ASN A 74 -5.474 0.770 14.370 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.145 -0.266 14.179 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.937 0.995 12.012 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.537 0.022 11.607 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.888 -1.968 9.828 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.613 -0.750 9.719 1.00 0.00 H new ATOM 1182 N LEU A 75 -5.288 -1.656 13.212 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.518 -2.893 13.330 1.00 0.00 C ATOM 1184 C LEU A 75 -3.468 -2.782 14.418 1.00 0.00 C ATOM 1185 O LEU A 75 -3.003 -3.791 14.947 1.00 0.00 O ATOM 1186 CB LEU A 75 -3.833 -3.264 12.011 1.00 0.00 C ATOM 1187 CG LEU A 75 -4.768 -3.628 10.861 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -5.021 -2.419 9.980 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -4.185 -4.774 10.051 1.00 0.00 C ATOM 0 H LEU A 75 -4.870 -0.948 12.609 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.228 -3.678 13.590 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.210 -2.426 11.698 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.166 -4.106 12.193 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.723 -3.952 11.276 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.690 -2.696 9.165 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.479 -1.627 10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.076 -2.064 9.569 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.862 -5.023 9.234 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.219 -4.477 9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.056 -5.645 10.694 1.00 0.00 H new ATOM 1201 N GLU A 76 -3.080 -1.560 14.740 1.00 0.00 N ATOM 1202 CA GLU A 76 -2.068 -1.333 15.750 1.00 0.00 C ATOM 1203 C GLU A 76 -2.654 -1.491 17.143 1.00 0.00 C ATOM 1204 O GLU A 76 -3.395 -0.631 17.624 1.00 0.00 O ATOM 1205 CB GLU A 76 -1.457 0.060 15.598 1.00 0.00 C ATOM 1206 CG GLU A 76 -0.368 0.366 16.614 1.00 0.00 C ATOM 1207 CD GLU A 76 0.075 1.809 16.557 1.00 0.00 C ATOM 1208 OE1 GLU A 76 0.169 2.352 15.437 1.00 0.00 O ATOM 1209 OE2 GLU A 76 0.311 2.412 17.627 1.00 0.00 O ATOM 0 H GLU A 76 -3.452 -0.711 14.315 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.284 -2.078 15.613 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.043 0.157 14.595 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.247 0.805 15.690 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.733 0.139 17.616 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.489 -0.283 16.433 1.00 0.00 H new ATOM 1451 N THR B 8 -13.503 -13.973 -9.934 1.00 0.00 N ATOM 1452 CA THR B 8 -14.334 -12.937 -9.346 1.00 0.00 C ATOM 1453 C THR B 8 -13.680 -12.393 -8.077 1.00 0.00 C ATOM 1454 O THR B 8 -13.080 -13.142 -7.302 1.00 0.00 O ATOM 1455 CB THR B 8 -15.761 -13.454 -9.039 1.00 0.00 C ATOM 1456 OG1 THR B 8 -16.578 -12.391 -8.533 1.00 0.00 O ATOM 1457 CG2 THR B 8 -15.737 -14.601 -8.037 1.00 0.00 C ATOM 0 HA THR B 8 -14.426 -12.131 -10.074 1.00 0.00 H new ATOM 0 HB THR B 8 -16.183 -13.825 -9.973 1.00 0.00 H new ATOM 0 HG1 THR B 8 -17.478 -12.731 -8.345 1.00 0.00 H new ATOM 0 HG21 THR B 8 -16.756 -14.938 -7.846 1.00 0.00 H new ATOM 0 HG22 THR B 8 -15.152 -15.426 -8.443 1.00 0.00 H new ATOM 0 HG23 THR B 8 -15.286 -14.260 -7.105 1.00 0.00 H new ATOM 1465 N PHE B 9 -13.761 -11.087 -7.894 1.00 0.00 N ATOM 1466 CA PHE B 9 -13.194 -10.440 -6.724 1.00 0.00 C ATOM 1467 C PHE B 9 -14.070 -9.264 -6.305 1.00 0.00 C ATOM 1468 O PHE B 9 -14.335 -8.353 -7.094 1.00 0.00 O ATOM 1469 CB PHE B 9 -11.747 -9.992 -6.995 1.00 0.00 C ATOM 1470 CG PHE B 9 -11.589 -8.989 -8.110 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -11.687 -9.379 -9.438 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -11.336 -7.657 -7.827 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -11.539 -8.459 -10.458 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -11.186 -6.733 -8.845 1.00 0.00 C ATOM 1475 CZ PHE B 9 -11.289 -7.135 -10.160 1.00 0.00 C ATOM 0 H PHE B 9 -14.218 -10.449 -8.546 1.00 0.00 H new ATOM 0 HA PHE B 9 -13.166 -11.156 -5.903 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -11.338 -9.563 -6.080 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -11.148 -10.872 -7.230 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -11.881 -10.414 -9.677 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -11.255 -7.336 -6.799 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -11.619 -8.776 -11.487 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -10.988 -5.698 -8.610 1.00 0.00 H new ATOM 0 HZ PHE B 9 -11.174 -6.414 -10.956 1.00 0.00 H new ATOM 1485 N GLU B 10 -14.540 -9.298 -5.070 1.00 0.00 N ATOM 1486 CA GLU B 10 -15.457 -8.283 -4.584 1.00 0.00 C ATOM 1487 C GLU B 10 -15.014 -7.782 -3.213 1.00 0.00 C ATOM 1488 O GLU B 10 -14.410 -8.526 -2.434 1.00 0.00 O ATOM 1489 CB GLU B 10 -16.877 -8.858 -4.529 1.00 0.00 C ATOM 1490 CG GLU B 10 -17.967 -7.808 -4.375 1.00 0.00 C ATOM 1491 CD GLU B 10 -19.350 -8.382 -4.594 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -19.765 -8.510 -5.766 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -20.030 -8.715 -3.602 1.00 0.00 O ATOM 0 H GLU B 10 -14.302 -10.017 -4.387 1.00 0.00 H new ATOM 0 HA GLU B 10 -15.452 -7.434 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -17.062 -9.428 -5.440 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -16.942 -9.558 -3.696 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -17.910 -7.372 -3.378 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -17.794 -7.000 -5.086 1.00 0.00 H new ATOM 1500 N ILE B 11 -15.297 -6.517 -2.931 1.00 0.00 N ATOM 1501 CA ILE B 11 -14.872 -5.897 -1.686 1.00 0.00 C ATOM 1502 C ILE B 11 -15.739 -6.356 -0.518 1.00 0.00 C ATOM 1503 O ILE B 11 -16.965 -6.227 -0.546 1.00 0.00 O ATOM 1504 CB ILE B 11 -14.916 -4.355 -1.783 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -14.041 -3.874 -2.946 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -14.464 -3.720 -0.471 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -14.075 -2.374 -3.163 1.00 0.00 C ATOM 0 H ILE B 11 -15.821 -5.900 -3.551 1.00 0.00 H new ATOM 0 HA ILE B 11 -13.843 -6.210 -1.509 1.00 0.00 H new ATOM 0 HB ILE B 11 -15.945 -4.047 -1.971 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -13.011 -4.181 -2.764 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -14.365 -4.371 -3.861 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -14.502 -2.634 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -15.124 -4.041 0.335 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -13.443 -4.030 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -13.431 -2.113 -4.003 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -15.097 -2.061 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -13.722 -1.868 -2.264 1.00 0.00 H new ATOM 1519 N GLU B 12 -15.093 -6.898 0.500 1.00 0.00 N ATOM 1520 CA GLU B 12 -15.780 -7.358 1.699 1.00 0.00 C ATOM 1521 C GLU B 12 -15.903 -6.232 2.713 1.00 0.00 C ATOM 1522 O GLU B 12 -16.950 -6.046 3.332 1.00 0.00 O ATOM 1523 CB GLU B 12 -15.017 -8.522 2.324 1.00 0.00 C ATOM 1524 CG GLU B 12 -15.157 -9.824 1.561 1.00 0.00 C ATOM 1525 CD GLU B 12 -16.519 -10.448 1.749 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -16.721 -11.139 2.770 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -17.394 -10.253 0.885 1.00 0.00 O ATOM 0 H GLU B 12 -14.082 -7.032 0.521 1.00 0.00 H new ATOM 0 HA GLU B 12 -16.779 -7.687 1.415 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -13.961 -8.260 2.387 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -15.370 -8.670 3.345 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -14.985 -9.642 0.500 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -14.389 -10.523 1.893 1.00 0.00 H new ATOM 1534 N GLU B 13 -14.824 -5.484 2.872 1.00 0.00 N ATOM 1535 CA GLU B 13 -14.744 -4.462 3.900 1.00 0.00 C ATOM 1536 C GLU B 13 -13.620 -3.489 3.579 1.00 0.00 C ATOM 1537 O GLU B 13 -12.468 -3.898 3.426 1.00 0.00 O ATOM 1538 CB GLU B 13 -14.493 -5.134 5.252 1.00 0.00 C ATOM 1539 CG GLU B 13 -14.243 -4.171 6.397 1.00 0.00 C ATOM 1540 CD GLU B 13 -13.839 -4.896 7.660 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -12.757 -5.521 7.664 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -14.602 -4.859 8.647 1.00 0.00 O ATOM 0 H GLU B 13 -13.986 -5.567 2.297 1.00 0.00 H new ATOM 0 HA GLU B 13 -15.681 -3.906 3.940 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -15.353 -5.757 5.499 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -13.634 -5.799 5.159 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -13.460 -3.467 6.116 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -15.144 -3.587 6.585 1.00 0.00 H new ATOM 1549 N HIS B 14 -13.950 -2.214 3.451 1.00 0.00 N ATOM 1550 CA HIS B 14 -12.933 -1.206 3.209 1.00 0.00 C ATOM 1551 C HIS B 14 -12.490 -0.595 4.533 1.00 0.00 C ATOM 1552 O HIS B 14 -13.310 -0.320 5.408 1.00 0.00 O ATOM 1553 CB HIS B 14 -13.430 -0.135 2.214 1.00 0.00 C ATOM 1554 CG HIS B 14 -14.225 1.000 2.800 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -13.867 2.318 2.625 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -15.363 1.018 3.533 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -14.743 3.094 3.229 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -15.666 2.333 3.788 1.00 0.00 N ATOM 0 H HIS B 14 -14.903 -1.856 3.510 1.00 0.00 H new ATOM 0 HA HIS B 14 -12.067 -1.680 2.746 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -12.564 0.283 1.700 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -14.042 -0.627 1.458 1.00 0.00 H new ATOM 0 HD1 HIS B 14 -13.050 2.643 2.108 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -15.928 0.157 3.857 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -14.712 4.173 3.262 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.191 -0.404 4.684 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.631 0.069 5.941 1.00 0.00 C ATOM 1569 C LEU B 15 -10.749 1.582 6.044 1.00 0.00 C ATOM 1570 O LEU B 15 -11.360 2.106 6.975 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.168 -0.362 6.054 1.00 0.00 C ATOM 1572 CG LEU B 15 -8.934 -1.868 5.943 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -7.449 -2.172 5.888 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -9.585 -2.600 7.107 1.00 0.00 C ATOM 0 H LEU B 15 -10.502 -0.569 3.951 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.194 -0.373 6.763 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.595 0.139 5.274 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.775 -0.017 7.010 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.393 -2.219 5.019 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.301 -3.249 5.809 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.009 -1.681 5.020 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.969 -1.805 6.795 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.407 -3.671 7.009 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.157 -2.245 8.045 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.658 -2.409 7.102 1.00 0.00 H new ATOM 1586 N LEU B 16 -10.167 2.281 5.080 1.00 0.00 N ATOM 1587 CA LEU B 16 -10.254 3.731 5.030 1.00 0.00 C ATOM 1588 C LEU B 16 -10.137 4.215 3.595 1.00 0.00 C ATOM 1589 O LEU B 16 -9.481 3.576 2.769 1.00 0.00 O ATOM 1590 CB LEU B 16 -9.159 4.390 5.879 1.00 0.00 C ATOM 1591 CG LEU B 16 -7.723 4.171 5.395 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -6.904 5.434 5.594 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -7.077 3.012 6.136 1.00 0.00 C ATOM 0 H LEU B 16 -9.628 1.865 4.320 1.00 0.00 H new ATOM 0 HA LEU B 16 -11.224 4.016 5.437 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -9.351 5.462 5.917 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -9.240 4.015 6.899 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.753 3.930 4.332 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -5.885 5.265 5.246 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -7.351 6.251 5.027 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -6.888 5.694 6.652 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.057 2.874 5.777 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -7.059 3.228 7.204 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -7.651 2.102 5.959 1.00 0.00 H new ATOM 1605 N THR B 17 -10.786 5.327 3.306 1.00 0.00 N ATOM 1606 CA THR B 17 -10.648 5.971 2.018 1.00 0.00 C ATOM 1607 C THR B 17 -9.535 7.014 2.084 1.00 0.00 C ATOM 1608 O THR B 17 -9.580 7.929 2.908 1.00 0.00 O ATOM 1609 CB THR B 17 -11.975 6.625 1.573 1.00 0.00 C ATOM 1610 OG1 THR B 17 -13.001 5.623 1.485 1.00 0.00 O ATOM 1611 CG2 THR B 17 -11.828 7.320 0.226 1.00 0.00 C ATOM 0 H THR B 17 -11.417 5.803 3.951 1.00 0.00 H new ATOM 0 HA THR B 17 -10.390 5.213 1.278 1.00 0.00 H new ATOM 0 HB THR B 17 -12.248 7.375 2.316 1.00 0.00 H new ATOM 0 HG1 THR B 17 -12.983 5.214 0.595 1.00 0.00 H new ATOM 0 HG21 THR B 17 -12.780 7.769 -0.057 1.00 0.00 H new ATOM 0 HG22 THR B 17 -11.067 8.097 0.299 1.00 0.00 H new ATOM 0 HG23 THR B 17 -11.532 6.592 -0.529 1.00 0.00 H new ATOM 1619 N LEU B 18 -8.529 6.850 1.234 1.00 0.00 N ATOM 1620 CA LEU B 18 -7.364 7.718 1.250 1.00 0.00 C ATOM 1621 C LEU B 18 -7.679 9.058 0.608 1.00 0.00 C ATOM 1622 O LEU B 18 -7.556 10.108 1.244 1.00 0.00 O ATOM 1623 CB LEU B 18 -6.199 7.057 0.507 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.707 5.736 1.098 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.644 5.123 0.202 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -5.156 5.952 2.498 1.00 0.00 C ATOM 0 H LEU B 18 -8.499 6.120 0.523 1.00 0.00 H new ATOM 0 HA LEU B 18 -7.083 7.884 2.290 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -6.501 6.883 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -5.364 7.757 0.481 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.551 5.049 1.161 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -4.302 4.183 0.634 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -5.064 4.936 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.802 5.810 0.114 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.810 5.001 2.904 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -4.323 6.653 2.457 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.939 6.356 3.139 1.00 0.00 H new ATOM 1638 N SER B 19 -8.099 9.023 -0.645 1.00 0.00 N ATOM 1639 CA SER B 19 -8.294 10.243 -1.396 1.00 0.00 C ATOM 1640 C SER B 19 -9.165 10.026 -2.624 1.00 0.00 C ATOM 1641 O SER B 19 -9.285 8.909 -3.138 1.00 0.00 O ATOM 1642 CB SER B 19 -6.932 10.788 -1.821 1.00 0.00 C ATOM 1643 OG SER B 19 -6.163 9.778 -2.454 1.00 0.00 O ATOM 0 H SER B 19 -8.309 8.167 -1.158 1.00 0.00 H new ATOM 0 HA SER B 19 -8.809 10.957 -0.754 1.00 0.00 H new ATOM 0 HB2 SER B 19 -7.067 11.629 -2.501 1.00 0.00 H new ATOM 0 HB3 SER B 19 -6.398 11.166 -0.949 1.00 0.00 H new ATOM 0 HG SER B 19 -5.431 10.191 -2.957 1.00 0.00 H new ATOM 1649 N GLU B 20 -9.791 11.100 -3.065 1.00 0.00 N ATOM 1650 CA GLU B 20 -10.457 11.130 -4.349 1.00 0.00 C ATOM 1651 C GLU B 20 -9.679 12.060 -5.269 1.00 0.00 C ATOM 1652 O GLU B 20 -9.749 13.284 -5.141 1.00 0.00 O ATOM 1653 CB GLU B 20 -11.903 11.599 -4.188 1.00 0.00 C ATOM 1654 CG GLU B 20 -12.721 11.541 -5.466 1.00 0.00 C ATOM 1655 CD GLU B 20 -14.127 12.069 -5.275 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -14.979 11.324 -4.753 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -14.381 13.238 -5.636 1.00 0.00 O ATOM 0 H GLU B 20 -9.851 11.974 -2.543 1.00 0.00 H new ATOM 0 HA GLU B 20 -10.486 10.130 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -12.390 10.986 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -11.902 12.624 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -12.220 12.121 -6.241 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -12.767 10.511 -5.818 1.00 0.00 H new ATOM 1664 N ASN B 21 -8.923 11.474 -6.177 1.00 0.00 N ATOM 1665 CA ASN B 21 -8.004 12.224 -7.014 1.00 0.00 C ATOM 1666 C ASN B 21 -8.695 12.729 -8.271 1.00 0.00 C ATOM 1667 O ASN B 21 -9.299 11.949 -9.014 1.00 0.00 O ATOM 1668 CB ASN B 21 -6.791 11.363 -7.403 1.00 0.00 C ATOM 1669 CG ASN B 21 -5.936 10.937 -6.217 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -5.342 9.855 -6.223 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -5.853 11.783 -5.199 1.00 0.00 N ATOM 0 H ASN B 21 -8.927 10.470 -6.356 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.660 13.081 -6.435 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -7.141 10.473 -7.925 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -6.171 11.921 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.284 11.548 -4.386 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -6.358 12.669 -5.229 1.00 0.00 H new ATOM 1678 N GLU B 22 -8.616 14.041 -8.481 1.00 0.00 N ATOM 1679 CA GLU B 22 -9.068 14.678 -9.720 1.00 0.00 C ATOM 1680 C GLU B 22 -10.525 14.341 -10.045 1.00 0.00 C ATOM 1681 O GLU B 22 -10.893 14.259 -11.216 1.00 0.00 O ATOM 1682 CB GLU B 22 -8.154 14.244 -10.869 1.00 0.00 C ATOM 1683 CG GLU B 22 -6.682 14.516 -10.598 1.00 0.00 C ATOM 1684 CD GLU B 22 -5.768 13.927 -11.652 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -5.557 12.698 -11.639 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -5.233 14.695 -12.478 1.00 0.00 O ATOM 0 H GLU B 22 -8.236 14.695 -7.797 1.00 0.00 H new ATOM 0 HA GLU B 22 -9.015 15.758 -9.585 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.292 13.178 -11.052 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.452 14.765 -11.779 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.521 15.593 -10.546 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -6.416 14.106 -9.624 1.00 0.00 H new ATOM 1693 N LYS B 23 -11.340 14.193 -8.995 1.00 0.00 N ATOM 1694 CA LYS B 23 -12.756 13.809 -9.104 1.00 0.00 C ATOM 1695 C LYS B 23 -12.991 12.733 -10.170 1.00 0.00 C ATOM 1696 O LYS B 23 -13.350 13.018 -11.317 1.00 0.00 O ATOM 1697 CB LYS B 23 -13.672 15.033 -9.320 1.00 0.00 C ATOM 1698 CG LYS B 23 -13.343 15.898 -10.531 1.00 0.00 C ATOM 1699 CD LYS B 23 -14.320 17.054 -10.671 1.00 0.00 C ATOM 1700 CE LYS B 23 -14.029 17.892 -11.907 1.00 0.00 C ATOM 1701 NZ LYS B 23 -12.669 18.494 -11.871 1.00 0.00 N ATOM 0 H LYS B 23 -11.033 14.338 -8.033 1.00 0.00 H new ATOM 0 HA LYS B 23 -13.028 13.366 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -14.700 14.683 -9.415 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -13.630 15.658 -8.428 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -12.329 16.286 -10.437 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -13.368 15.287 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -15.337 16.666 -10.726 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -14.267 17.684 -9.783 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -14.125 17.270 -12.797 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -14.773 18.684 -11.990 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -12.581 19.199 -12.630 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -12.518 18.955 -10.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -11.956 17.749 -12.006 1.00 0.00 H new ATOM 1715 N GLY B 24 -12.769 11.490 -9.777 1.00 0.00 N ATOM 1716 CA GLY B 24 -12.930 10.373 -10.684 1.00 0.00 C ATOM 1717 C GLY B 24 -12.121 9.183 -10.230 1.00 0.00 C ATOM 1718 O GLY B 24 -12.618 8.062 -10.180 1.00 0.00 O ATOM 0 H GLY B 24 -12.477 11.232 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -13.983 10.099 -10.745 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -12.619 10.667 -11.686 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.872 9.440 -9.880 1.00 0.00 N ATOM 1723 CA TRP B 25 -9.999 8.410 -9.338 1.00 0.00 C ATOM 1724 C TRP B 25 -10.226 8.285 -7.843 1.00 0.00 C ATOM 1725 O TRP B 25 -9.781 9.135 -7.085 1.00 0.00 O ATOM 1726 CB TRP B 25 -8.526 8.773 -9.553 1.00 0.00 C ATOM 1727 CG TRP B 25 -8.074 8.832 -10.978 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -8.688 9.457 -12.025 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -6.863 8.275 -11.495 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -7.937 9.308 -13.167 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -6.811 8.586 -12.866 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -5.823 7.538 -10.930 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -5.751 8.185 -13.676 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -4.776 7.141 -11.734 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -4.747 7.466 -13.093 1.00 0.00 C ATOM 0 H TRP B 25 -10.437 10.359 -9.962 1.00 0.00 H new ATOM 0 HA TRP B 25 -10.228 7.475 -9.850 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -8.339 9.742 -9.091 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -7.910 8.044 -9.026 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -9.625 9.990 -11.965 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -8.178 9.675 -14.088 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -5.837 7.283 -9.881 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -5.724 8.434 -14.727 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -3.965 6.570 -11.307 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -3.912 7.141 -13.696 1.00 0.00 H new ATOM 1746 N THR B 26 -10.916 7.260 -7.397 1.00 0.00 N ATOM 1747 CA THR B 26 -11.039 7.071 -5.967 1.00 0.00 C ATOM 1748 C THR B 26 -10.010 6.050 -5.516 1.00 0.00 C ATOM 1749 O THR B 26 -9.840 5.012 -6.153 1.00 0.00 O ATOM 1750 CB THR B 26 -12.453 6.623 -5.573 1.00 0.00 C ATOM 1751 OG1 THR B 26 -13.420 7.386 -6.307 1.00 0.00 O ATOM 1752 CG2 THR B 26 -12.685 6.824 -4.083 1.00 0.00 C ATOM 0 H THR B 26 -11.386 6.566 -7.978 1.00 0.00 H new ATOM 0 HA THR B 26 -10.858 8.024 -5.471 1.00 0.00 H new ATOM 0 HB THR B 26 -12.558 5.563 -5.807 1.00 0.00 H new ATOM 0 HG1 THR B 26 -14.212 6.834 -6.476 1.00 0.00 H new ATOM 0 HG21 THR B 26 -13.693 6.500 -3.825 1.00 0.00 H new ATOM 0 HG22 THR B 26 -11.960 6.237 -3.519 1.00 0.00 H new ATOM 0 HG23 THR B 26 -12.568 7.879 -3.836 1.00 0.00 H new ATOM 1760 N LYS B 27 -9.334 6.335 -4.417 1.00 0.00 N ATOM 1761 CA LYS B 27 -8.227 5.511 -3.976 1.00 0.00 C ATOM 1762 C LYS B 27 -8.332 5.243 -2.492 1.00 0.00 C ATOM 1763 O LYS B 27 -8.407 6.176 -1.689 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.906 6.213 -4.300 1.00 0.00 C ATOM 1765 CG LYS B 27 -5.672 5.341 -4.135 1.00 0.00 C ATOM 1766 CD LYS B 27 -4.447 6.026 -4.720 1.00 0.00 C ATOM 1767 CE LYS B 27 -4.066 7.256 -3.920 1.00 0.00 C ATOM 1768 NZ LYS B 27 -3.114 8.135 -4.654 1.00 0.00 N ATOM 0 H LYS B 27 -9.534 7.133 -3.814 1.00 0.00 H new ATOM 0 HA LYS B 27 -8.260 4.555 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.944 6.576 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.806 7.087 -3.657 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.507 5.131 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.829 4.382 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.611 5.327 -4.736 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.646 6.310 -5.754 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.966 7.822 -3.677 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -3.618 6.948 -2.975 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -2.421 8.529 -3.987 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -2.618 7.580 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -3.637 8.911 -5.108 1.00 0.00 H new ATOM 1782 N GLU B 28 -8.349 3.974 -2.126 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.461 3.608 -0.733 1.00 0.00 C ATOM 1784 C GLU B 28 -7.910 2.217 -0.470 1.00 0.00 C ATOM 1785 O GLU B 28 -7.415 1.538 -1.375 1.00 0.00 O ATOM 1786 CB GLU B 28 -9.915 3.706 -0.269 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.900 2.906 -1.098 1.00 0.00 C ATOM 1788 CD GLU B 28 -12.307 3.006 -0.550 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -12.942 4.065 -0.721 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -12.777 2.036 0.068 1.00 0.00 O ATOM 0 H GLU B 28 -8.287 3.187 -2.772 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.860 4.313 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -9.975 3.370 0.766 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.216 4.753 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.884 3.265 -2.127 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.592 1.861 -1.120 1.00 0.00 H new ATOM 1797 N ILE B 29 -7.994 1.810 0.783 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.468 0.533 1.216 1.00 0.00 C ATOM 1799 C ILE B 29 -8.596 -0.345 1.732 1.00 0.00 C ATOM 1800 O ILE B 29 -9.253 -0.013 2.721 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.403 0.735 2.314 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.242 1.563 1.748 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -5.919 -0.607 2.845 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.172 1.915 2.756 1.00 0.00 C ATOM 0 H ILE B 29 -8.429 2.356 1.527 1.00 0.00 H new ATOM 0 HA ILE B 29 -6.998 0.040 0.365 1.00 0.00 H new ATOM 0 HB ILE B 29 -6.843 1.276 3.152 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.783 1.009 0.929 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.642 2.485 1.325 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -5.168 -0.443 3.618 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -6.761 -1.156 3.267 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.481 -1.184 2.031 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.392 2.500 2.269 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.612 2.499 3.565 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.740 1.000 3.162 1.00 0.00 H new ATOM 1816 N ASN B 30 -8.829 -1.455 1.055 1.00 0.00 N ATOM 1817 CA ASN B 30 -9.950 -2.317 1.385 1.00 0.00 C ATOM 1818 C ASN B 30 -9.551 -3.783 1.299 1.00 0.00 C ATOM 1819 O ASN B 30 -8.478 -4.113 0.806 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.132 -2.035 0.450 1.00 0.00 C ATOM 1821 CG ASN B 30 -10.793 -2.245 -1.015 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -10.943 -3.340 -1.545 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -10.352 -1.189 -1.686 1.00 0.00 N ATOM 0 H ASN B 30 -8.258 -1.780 0.275 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.252 -2.104 2.410 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -11.965 -2.683 0.721 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.467 -1.008 0.596 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -10.125 -1.273 -2.677 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -10.240 -0.293 -1.211 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.406 -4.653 1.808 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.168 -6.083 1.733 1.00 0.00 C ATOM 1832 C ARG B 31 -11.034 -6.717 0.650 1.00 0.00 C ATOM 1833 O ARG B 31 -12.266 -6.661 0.708 1.00 0.00 O ATOM 1834 CB ARG B 31 -10.432 -6.752 3.084 1.00 0.00 C ATOM 1835 CG ARG B 31 -9.501 -6.280 4.190 1.00 0.00 C ATOM 1836 CD ARG B 31 -9.610 -7.159 5.428 1.00 0.00 C ATOM 1837 NE ARG B 31 -10.951 -7.143 6.007 1.00 0.00 N ATOM 1838 CZ ARG B 31 -11.725 -8.220 6.119 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -11.316 -9.396 5.650 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -12.909 -8.110 6.698 1.00 0.00 N ATOM 0 H ARG B 31 -11.273 -4.393 2.278 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.120 -6.236 1.473 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -11.463 -6.558 3.381 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -10.331 -7.831 2.971 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -8.473 -6.286 3.828 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -9.740 -5.250 4.453 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -9.342 -8.183 5.168 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -8.891 -6.821 6.174 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.316 -6.253 6.346 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -10.404 -9.477 5.201 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -11.915 -10.217 5.740 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -13.221 -7.206 7.053 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -13.510 -8.929 6.789 1.00 0.00 H new ATOM 1854 N VAL B 32 -10.380 -7.314 -0.330 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.066 -7.937 -1.451 1.00 0.00 C ATOM 1856 C VAL B 32 -11.072 -9.453 -1.295 1.00 0.00 C ATOM 1857 O VAL B 32 -10.038 -10.063 -1.015 1.00 0.00 O ATOM 1858 CB VAL B 32 -10.396 -7.574 -2.792 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -11.142 -8.193 -3.962 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -10.302 -6.068 -2.960 1.00 0.00 C ATOM 0 H VAL B 32 -9.363 -7.381 -0.373 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.089 -7.561 -1.455 1.00 0.00 H new ATOM 0 HB VAL B 32 -9.386 -7.983 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -10.647 -7.920 -4.894 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -11.147 -9.278 -3.858 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -12.168 -7.825 -3.975 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -9.826 -5.837 -3.913 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -11.303 -5.637 -2.940 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -9.710 -5.648 -2.147 1.00 0.00 H new ATOM 1870 N SER B 33 -12.239 -10.055 -1.466 1.00 0.00 N ATOM 1871 CA SER B 33 -12.359 -11.500 -1.421 1.00 0.00 C ATOM 1872 C SER B 33 -12.193 -12.060 -2.826 1.00 0.00 C ATOM 1873 O SER B 33 -13.006 -11.791 -3.715 1.00 0.00 O ATOM 1874 CB SER B 33 -13.714 -11.911 -0.834 1.00 0.00 C ATOM 1875 OG SER B 33 -13.791 -13.312 -0.616 1.00 0.00 O ATOM 0 H SER B 33 -13.116 -9.563 -1.637 1.00 0.00 H new ATOM 0 HA SER B 33 -11.579 -11.906 -0.777 1.00 0.00 H new ATOM 0 HB2 SER B 33 -13.876 -11.387 0.108 1.00 0.00 H new ATOM 0 HB3 SER B 33 -14.511 -11.604 -1.511 1.00 0.00 H new ATOM 0 HG SER B 33 -12.907 -13.653 -0.364 1.00 0.00 H new ATOM 1881 N PHE B 34 -11.117 -12.802 -3.027 1.00 0.00 N ATOM 1882 CA PHE B 34 -10.845 -13.414 -4.315 1.00 0.00 C ATOM 1883 C PHE B 34 -11.504 -14.783 -4.383 1.00 0.00 C ATOM 1884 O PHE B 34 -11.226 -15.642 -3.551 1.00 0.00 O ATOM 1885 CB PHE B 34 -9.336 -13.539 -4.537 1.00 0.00 C ATOM 1886 CG PHE B 34 -8.613 -12.224 -4.480 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -8.568 -11.393 -5.591 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -7.982 -11.815 -3.318 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -7.905 -10.182 -5.540 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -7.319 -10.605 -3.260 1.00 0.00 C ATOM 1891 CZ PHE B 34 -7.280 -9.787 -4.372 1.00 0.00 C ATOM 0 H PHE B 34 -10.416 -12.995 -2.312 1.00 0.00 H new ATOM 0 HA PHE B 34 -11.257 -12.782 -5.102 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -8.920 -14.207 -3.783 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -9.156 -14.002 -5.507 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -9.057 -11.696 -6.505 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -8.008 -12.451 -2.445 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -7.875 -9.545 -6.411 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -6.832 -10.299 -2.346 1.00 0.00 H new ATOM 0 HZ PHE B 34 -6.762 -8.840 -4.329 1.00 0.00 H new ATOM 1901 N ASN B 35 -12.377 -14.961 -5.377 1.00 0.00 N ATOM 1902 CA ASN B 35 -13.160 -16.190 -5.566 1.00 0.00 C ATOM 1903 C ASN B 35 -13.749 -16.716 -4.245 1.00 0.00 C ATOM 1904 O ASN B 35 -14.778 -16.216 -3.791 1.00 0.00 O ATOM 1905 CB ASN B 35 -12.375 -17.282 -6.337 1.00 0.00 C ATOM 1906 CG ASN B 35 -11.010 -17.633 -5.757 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -10.891 -18.513 -4.906 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -9.967 -16.969 -6.234 1.00 0.00 N ATOM 0 H ASN B 35 -12.564 -14.249 -6.083 1.00 0.00 H new ATOM 0 HA ASN B 35 -14.006 -15.919 -6.197 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -12.981 -18.187 -6.370 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -12.240 -16.951 -7.367 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -9.029 -17.182 -5.896 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -10.103 -16.245 -6.940 1.00 0.00 H new ATOM 1915 N GLY B 36 -13.101 -17.692 -3.626 1.00 0.00 N ATOM 1916 CA GLY B 36 -13.587 -18.229 -2.369 1.00 0.00 C ATOM 1917 C GLY B 36 -12.513 -18.227 -1.302 1.00 0.00 C ATOM 1918 O GLY B 36 -12.469 -19.110 -0.448 1.00 0.00 O ATOM 0 H GLY B 36 -12.244 -18.124 -3.972 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -14.439 -17.641 -2.028 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -13.944 -19.247 -2.523 1.00 0.00 H new ATOM 1922 N ALA B 37 -11.631 -17.241 -1.367 1.00 0.00 N ATOM 1923 CA ALA B 37 -10.540 -17.116 -0.414 1.00 0.00 C ATOM 1924 C ALA B 37 -10.764 -15.911 0.499 1.00 0.00 C ATOM 1925 O ALA B 37 -11.485 -14.977 0.131 1.00 0.00 O ATOM 1926 CB ALA B 37 -9.214 -16.990 -1.157 1.00 0.00 C ATOM 0 H ALA B 37 -11.651 -16.509 -2.077 1.00 0.00 H new ATOM 0 HA ALA B 37 -10.509 -18.011 0.207 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -8.401 -16.897 -0.437 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -9.055 -17.877 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -9.237 -16.106 -1.795 1.00 0.00 H new ATOM 1932 N PRO B 38 -10.167 -15.925 1.709 1.00 0.00 N ATOM 1933 CA PRO B 38 -10.286 -14.823 2.675 1.00 0.00 C ATOM 1934 C PRO B 38 -9.946 -13.469 2.062 1.00 0.00 C ATOM 1935 O PRO B 38 -9.017 -13.354 1.259 1.00 0.00 O ATOM 1936 CB PRO B 38 -9.274 -15.189 3.761 1.00 0.00 C ATOM 1937 CG PRO B 38 -9.163 -16.670 3.684 1.00 0.00 C ATOM 1938 CD PRO B 38 -9.333 -17.023 2.232 1.00 0.00 C ATOM 0 HA PRO B 38 -11.306 -14.716 3.043 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -8.311 -14.709 3.584 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -9.614 -14.867 4.745 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -8.197 -17.009 4.057 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -9.927 -17.151 4.295 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -8.374 -17.079 1.717 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -9.819 -17.991 2.108 1.00 0.00 H new ATOM 1946 N ALA B 39 -10.711 -12.452 2.437 1.00 0.00 N ATOM 1947 CA ALA B 39 -10.519 -11.108 1.915 1.00 0.00 C ATOM 1948 C ALA B 39 -9.184 -10.520 2.360 1.00 0.00 C ATOM 1949 O ALA B 39 -9.012 -10.147 3.524 1.00 0.00 O ATOM 1950 CB ALA B 39 -11.663 -10.207 2.351 1.00 0.00 C ATOM 0 H ALA B 39 -11.476 -12.535 3.106 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.508 -11.171 0.827 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.508 -9.204 1.954 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -12.604 -10.605 1.973 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.698 -10.165 3.440 1.00 0.00 H new ATOM 1956 N LYS B 40 -8.247 -10.447 1.425 1.00 0.00 N ATOM 1957 CA LYS B 40 -6.930 -9.892 1.694 1.00 0.00 C ATOM 1958 C LYS B 40 -6.943 -8.383 1.494 1.00 0.00 C ATOM 1959 O LYS B 40 -7.873 -7.836 0.903 1.00 0.00 O ATOM 1960 CB LYS B 40 -5.877 -10.540 0.789 1.00 0.00 C ATOM 1961 CG LYS B 40 -5.585 -11.994 1.124 1.00 0.00 C ATOM 1962 CD LYS B 40 -4.575 -12.596 0.156 1.00 0.00 C ATOM 1963 CE LYS B 40 -4.184 -14.009 0.561 1.00 0.00 C ATOM 1964 NZ LYS B 40 -3.329 -14.670 -0.464 1.00 0.00 N ATOM 0 H LYS B 40 -8.378 -10.768 0.466 1.00 0.00 H new ATOM 0 HA LYS B 40 -6.671 -10.105 2.731 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.213 -10.477 -0.246 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -4.951 -9.969 0.859 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.202 -12.064 2.142 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.510 -12.569 1.091 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -4.996 -12.609 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -3.685 -11.968 0.121 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -3.652 -13.979 1.512 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -5.084 -14.603 0.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -3.086 -15.630 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -3.846 -14.723 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -2.457 -14.119 -0.597 1.00 0.00 H new ATOM 1978 N PHE B 41 -5.910 -7.716 1.980 1.00 0.00 N ATOM 1979 CA PHE B 41 -5.847 -6.265 1.920 1.00 0.00 C ATOM 1980 C PHE B 41 -5.340 -5.812 0.555 1.00 0.00 C ATOM 1981 O PHE B 41 -4.200 -6.082 0.194 1.00 0.00 O ATOM 1982 CB PHE B 41 -4.923 -5.730 3.012 1.00 0.00 C ATOM 1983 CG PHE B 41 -5.283 -6.179 4.402 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -6.162 -5.440 5.175 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -4.734 -7.334 4.938 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -6.491 -5.846 6.456 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -5.059 -7.745 6.216 1.00 0.00 C ATOM 1988 CZ PHE B 41 -5.938 -6.998 6.976 1.00 0.00 C ATOM 0 H PHE B 41 -5.103 -8.156 2.421 1.00 0.00 H new ATOM 0 HA PHE B 41 -6.851 -5.871 2.076 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -3.902 -6.044 2.794 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -4.935 -4.641 2.980 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -6.596 -4.536 4.773 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -4.044 -7.920 4.349 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -7.180 -5.262 7.048 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -4.627 -8.648 6.620 1.00 0.00 H new ATOM 0 HZ PHE B 41 -6.192 -7.316 7.976 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.178 -5.125 -0.197 1.00 0.00 N ATOM 1999 CA ASP B 42 -5.792 -4.660 -1.519 1.00 0.00 C ATOM 2000 C ASP B 42 -5.736 -3.139 -1.533 1.00 0.00 C ATOM 2001 O ASP B 42 -6.739 -2.459 -1.285 1.00 0.00 O ATOM 2002 CB ASP B 42 -6.770 -5.179 -2.581 1.00 0.00 C ATOM 2003 CG ASP B 42 -6.263 -4.988 -4.005 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -5.243 -5.620 -4.369 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -6.888 -4.222 -4.774 1.00 0.00 O ATOM 0 H ASP B 42 -7.127 -4.876 0.082 1.00 0.00 H new ATOM 0 HA ASP B 42 -4.802 -5.050 -1.757 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -6.957 -6.239 -2.407 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -7.725 -4.665 -2.470 1.00 0.00 H new ATOM 2010 N ILE B 43 -4.549 -2.609 -1.784 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.351 -1.168 -1.865 1.00 0.00 C ATOM 2012 C ILE B 43 -4.562 -0.744 -3.300 1.00 0.00 C ATOM 2013 O ILE B 43 -3.685 -0.957 -4.127 1.00 0.00 O ATOM 2014 CB ILE B 43 -2.914 -0.755 -1.464 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -2.402 -1.577 -0.280 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -2.851 0.735 -1.149 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -3.190 -1.391 0.994 1.00 0.00 C ATOM 0 H ILE B 43 -3.703 -3.158 -1.936 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.054 -0.692 -1.181 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.263 -0.959 -2.314 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -2.418 -2.632 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -1.362 -1.312 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -1.833 1.005 -0.869 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.149 1.306 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -3.526 0.961 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -2.760 -2.010 1.782 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -3.154 -0.344 1.295 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -4.226 -1.685 0.827 1.00 0.00 H new ATOM 2029 N ARG B 44 -5.702 -0.150 -3.612 1.00 0.00 N ATOM 2030 CA ARG B 44 -6.040 0.076 -5.008 1.00 0.00 C ATOM 2031 C ARG B 44 -6.930 1.293 -5.210 1.00 0.00 C ATOM 2032 O ARG B 44 -7.745 1.645 -4.357 1.00 0.00 O ATOM 2033 CB ARG B 44 -6.712 -1.180 -5.581 1.00 0.00 C ATOM 2034 CG ARG B 44 -7.283 -1.007 -6.984 1.00 0.00 C ATOM 2035 CD ARG B 44 -7.757 -2.326 -7.569 1.00 0.00 C ATOM 2036 NE ARG B 44 -8.600 -3.078 -6.642 1.00 0.00 N ATOM 2037 CZ ARG B 44 -9.878 -3.376 -6.871 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -10.479 -2.950 -7.981 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -10.558 -4.100 -5.986 1.00 0.00 N ATOM 0 H ARG B 44 -6.394 0.177 -2.937 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.112 0.280 -5.542 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -5.984 -1.991 -5.596 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -7.515 -1.485 -4.910 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.115 -0.304 -6.953 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -6.523 -0.574 -7.634 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -8.313 -2.134 -8.487 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -6.892 -2.931 -7.841 1.00 0.00 H new ATOM 0 HE ARG B 44 -8.184 -3.394 -5.766 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -9.960 -2.393 -8.660 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -11.458 -3.181 -8.152 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -10.101 -4.426 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -11.537 -4.329 -6.159 1.00 0.00 H new ATOM 2053 N ALA B 45 -6.744 1.929 -6.353 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.602 3.007 -6.794 1.00 0.00 C ATOM 2055 C ALA B 45 -8.463 2.518 -7.946 1.00 0.00 C ATOM 2056 O ALA B 45 -7.984 1.782 -8.810 1.00 0.00 O ATOM 2057 CB ALA B 45 -6.770 4.199 -7.241 1.00 0.00 C ATOM 0 H ALA B 45 -5.989 1.709 -7.002 1.00 0.00 H new ATOM 0 HA ALA B 45 -8.237 3.321 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -7.431 5.001 -7.570 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.160 4.550 -6.409 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.122 3.902 -8.066 1.00 0.00 H new ATOM 2063 N TRP B 46 -9.720 2.917 -7.968 1.00 0.00 N ATOM 2064 CA TRP B 46 -10.592 2.538 -9.061 1.00 0.00 C ATOM 2065 C TRP B 46 -10.862 3.732 -9.958 1.00 0.00 C ATOM 2066 O TRP B 46 -11.247 4.813 -9.500 1.00 0.00 O ATOM 2067 CB TRP B 46 -11.889 1.873 -8.573 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.559 2.531 -7.400 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -12.193 2.433 -6.087 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -13.736 3.348 -7.428 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -13.067 3.142 -5.299 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -14.024 3.716 -6.101 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -14.576 3.808 -8.451 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -15.111 4.524 -5.768 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -15.652 4.611 -8.119 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -15.913 4.958 -6.787 1.00 0.00 C ATOM 0 H TRP B 46 -10.156 3.497 -7.251 1.00 0.00 H new ATOM 0 HA TRP B 46 -10.076 1.781 -9.652 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.595 1.845 -9.403 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -11.668 0.839 -8.308 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -11.341 1.879 -5.722 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -13.014 3.228 -4.284 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -14.387 3.540 -9.480 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -15.312 4.797 -4.743 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -16.302 4.977 -8.900 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -16.765 5.581 -6.560 1.00 0.00 H new ATOM 2087 N SER B 47 -10.601 3.517 -11.237 1.00 0.00 N ATOM 2088 CA SER B 47 -10.657 4.560 -12.245 1.00 0.00 C ATOM 2089 C SER B 47 -12.049 4.607 -12.875 1.00 0.00 C ATOM 2090 O SER B 47 -12.768 3.603 -12.862 1.00 0.00 O ATOM 2091 CB SER B 47 -9.586 4.267 -13.310 1.00 0.00 C ATOM 2092 OG SER B 47 -9.460 5.316 -14.252 1.00 0.00 O ATOM 0 H SER B 47 -10.342 2.603 -11.607 1.00 0.00 H new ATOM 0 HA SER B 47 -10.462 5.532 -11.791 1.00 0.00 H new ATOM 0 HB2 SER B 47 -8.626 4.105 -12.820 1.00 0.00 H new ATOM 0 HB3 SER B 47 -9.838 3.343 -13.831 1.00 0.00 H new ATOM 0 HG SER B 47 -8.768 5.086 -14.907 1.00 0.00 H new ATOM 2202 N LYS B 55 -3.896 0.125 -10.384 1.00 0.00 N ATOM 2203 CA LYS B 55 -3.937 -1.330 -10.395 1.00 0.00 C ATOM 2204 C LYS B 55 -4.006 -1.854 -8.974 1.00 0.00 C ATOM 2205 O LYS B 55 -4.824 -2.714 -8.645 1.00 0.00 O ATOM 2206 CB LYS B 55 -2.699 -1.890 -11.090 1.00 0.00 C ATOM 2207 CG LYS B 55 -2.703 -1.689 -12.595 1.00 0.00 C ATOM 2208 CD LYS B 55 -1.477 -2.312 -13.244 1.00 0.00 C ATOM 2209 CE LYS B 55 -1.572 -2.270 -14.758 1.00 0.00 C ATOM 2210 NZ LYS B 55 -2.683 -3.119 -15.268 1.00 0.00 N ATOM 0 HA LYS B 55 -4.824 -1.651 -10.942 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -1.812 -1.416 -10.671 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -2.623 -2.956 -10.874 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -3.605 -2.130 -13.020 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -2.733 -0.623 -12.821 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -0.582 -1.782 -12.919 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -1.373 -3.345 -12.913 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -1.723 -1.241 -15.084 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -0.630 -2.607 -15.190 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -2.545 -3.298 -16.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -2.692 -4.024 -14.755 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -3.589 -2.630 -15.122 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.133 -1.321 -8.136 1.00 0.00 N ATOM 2225 CA GLY B 56 -3.135 -1.690 -6.744 1.00 0.00 C ATOM 2226 C GLY B 56 -2.214 -2.849 -6.440 1.00 0.00 C ATOM 2227 O GLY B 56 -1.543 -3.367 -7.332 1.00 0.00 O ATOM 0 H GLY B 56 -2.422 -0.638 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -2.837 -0.829 -6.145 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -4.150 -1.951 -6.444 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.186 -3.248 -5.177 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.361 -4.360 -4.728 1.00 0.00 C ATOM 2233 C ILE B 57 -2.028 -5.074 -3.555 1.00 0.00 C ATOM 2234 O ILE B 57 -2.632 -4.433 -2.692 1.00 0.00 O ATOM 2235 CB ILE B 57 0.050 -3.883 -4.313 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.881 -5.057 -3.783 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.042 -2.769 -3.279 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.280 -4.673 -3.358 1.00 0.00 C ATOM 0 H ILE B 57 -2.733 -2.811 -4.436 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.257 -5.053 -5.563 1.00 0.00 H new ATOM 0 HB ILE B 57 0.552 -3.484 -5.194 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.363 -5.502 -2.934 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.944 -5.823 -4.556 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.962 -2.448 -3.000 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -0.589 -1.926 -3.700 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.564 -3.135 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.805 -5.556 -2.995 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.817 -4.256 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.227 -3.930 -2.563 1.00 0.00 H new ATOM 2250 N THR B 58 -1.924 -6.395 -3.529 1.00 0.00 N ATOM 2251 CA THR B 58 -2.548 -7.178 -2.482 1.00 0.00 C ATOM 2252 C THR B 58 -1.545 -7.532 -1.388 1.00 0.00 C ATOM 2253 O THR B 58 -0.545 -8.216 -1.630 1.00 0.00 O ATOM 2254 CB THR B 58 -3.171 -8.464 -3.052 1.00 0.00 C ATOM 2255 OG1 THR B 58 -4.049 -8.129 -4.131 1.00 0.00 O ATOM 2256 CG2 THR B 58 -3.948 -9.214 -1.983 1.00 0.00 C ATOM 0 H THR B 58 -1.413 -6.943 -4.222 1.00 0.00 H new ATOM 0 HA THR B 58 -3.339 -6.567 -2.046 1.00 0.00 H new ATOM 0 HB THR B 58 -2.367 -9.108 -3.409 1.00 0.00 H new ATOM 0 HG1 THR B 58 -4.421 -7.234 -3.984 1.00 0.00 H new ATOM 0 HG21 THR B 58 -4.378 -10.119 -2.413 1.00 0.00 H new ATOM 0 HG22 THR B 58 -3.277 -9.483 -1.167 1.00 0.00 H new ATOM 0 HG23 THR B 58 -4.747 -8.579 -1.601 1.00 0.00 H new ATOM 2264 N LEU B 59 -1.818 -7.053 -0.188 1.00 0.00 N ATOM 2265 CA LEU B 59 -0.974 -7.315 0.961 1.00 0.00 C ATOM 2266 C LEU B 59 -1.636 -8.348 1.862 1.00 0.00 C ATOM 2267 O LEU B 59 -2.850 -8.312 2.075 1.00 0.00 O ATOM 2268 CB LEU B 59 -0.731 -6.025 1.756 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.209 -4.833 0.945 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -0.026 -3.618 1.842 1.00 0.00 C ATOM 2271 CD2 LEU B 59 1.098 -5.181 0.254 1.00 0.00 C ATOM 0 H LEU B 59 -2.631 -6.472 0.016 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.016 -7.697 0.607 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -1.666 -5.734 2.235 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -0.018 -6.239 2.552 1.00 0.00 H new ATOM 0 HG LEU B 59 -0.947 -4.593 0.180 1.00 0.00 H new ATOM 0 HD11 LEU B 59 0.345 -2.781 1.250 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -0.983 -3.349 2.290 1.00 0.00 H new ATOM 0 HD13 LEU B 59 0.691 -3.852 2.629 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.449 -4.320 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU B 59 1.844 -5.451 1.001 1.00 0.00 H new ATOM 0 HD23 LEU B 59 0.940 -6.022 -0.421 1.00 0.00 H new ATOM 2283 N SER B 60 -0.851 -9.273 2.371 1.00 0.00 N ATOM 2284 CA SER B 60 -1.347 -10.243 3.323 1.00 0.00 C ATOM 2285 C SER B 60 -1.317 -9.629 4.717 1.00 0.00 C ATOM 2286 O SER B 60 -0.680 -8.594 4.931 1.00 0.00 O ATOM 2287 CB SER B 60 -0.505 -11.521 3.272 1.00 0.00 C ATOM 2288 OG SER B 60 -1.029 -12.521 4.129 1.00 0.00 O ATOM 0 H SER B 60 0.137 -9.374 2.140 1.00 0.00 H new ATOM 0 HA SER B 60 -2.373 -10.512 3.071 1.00 0.00 H new ATOM 0 HB2 SER B 60 -0.473 -11.897 2.249 1.00 0.00 H new ATOM 0 HB3 SER B 60 0.521 -11.294 3.560 1.00 0.00 H new ATOM 0 HG SER B 60 -0.471 -13.325 4.073 1.00 0.00 H new ATOM 2294 N ASN B 61 -1.997 -10.263 5.659 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.088 -9.742 7.022 1.00 0.00 C ATOM 2296 C ASN B 61 -0.711 -9.622 7.677 1.00 0.00 C ATOM 2297 O ASN B 61 -0.497 -8.761 8.533 1.00 0.00 O ATOM 2298 CB ASN B 61 -3.017 -10.614 7.884 1.00 0.00 C ATOM 2299 CG ASN B 61 -2.750 -12.108 7.760 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -1.643 -12.540 7.444 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -3.774 -12.910 8.016 1.00 0.00 N ATOM 0 H ASN B 61 -2.496 -11.140 5.509 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.513 -8.741 6.955 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -2.909 -10.321 8.928 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -4.051 -10.415 7.602 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -3.658 -13.921 7.954 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -4.678 -12.516 8.275 1.00 0.00 H new ATOM 2308 N GLU B 62 0.219 -10.463 7.244 1.00 0.00 N ATOM 2309 CA GLU B 62 1.567 -10.488 7.802 1.00 0.00 C ATOM 2310 C GLU B 62 2.305 -9.178 7.538 1.00 0.00 C ATOM 2311 O GLU B 62 2.671 -8.454 8.470 1.00 0.00 O ATOM 2312 CB GLU B 62 2.353 -11.634 7.179 1.00 0.00 C ATOM 2313 CG GLU B 62 1.723 -12.997 7.382 1.00 0.00 C ATOM 2314 CD GLU B 62 2.284 -14.026 6.428 1.00 0.00 C ATOM 2315 OE1 GLU B 62 3.392 -14.542 6.681 1.00 0.00 O ATOM 2316 OE2 GLU B 62 1.623 -14.309 5.405 1.00 0.00 O ATOM 0 H GLU B 62 0.063 -11.144 6.501 1.00 0.00 H new ATOM 0 HA GLU B 62 1.482 -10.625 8.880 1.00 0.00 H new ATOM 0 HB2 GLU B 62 2.458 -11.450 6.110 1.00 0.00 H new ATOM 0 HB3 GLU B 62 3.358 -11.643 7.601 1.00 0.00 H new ATOM 0 HG2 GLU B 62 1.890 -13.325 8.408 1.00 0.00 H new ATOM 0 HG3 GLU B 62 0.645 -12.923 7.242 1.00 0.00 H new ATOM 2323 N GLU B 63 2.508 -8.867 6.265 1.00 0.00 N ATOM 2324 CA GLU B 63 3.243 -7.673 5.884 1.00 0.00 C ATOM 2325 C GLU B 63 2.423 -6.417 6.149 1.00 0.00 C ATOM 2326 O GLU B 63 2.976 -5.329 6.320 1.00 0.00 O ATOM 2327 CB GLU B 63 3.668 -7.727 4.410 1.00 0.00 C ATOM 2328 CG GLU B 63 2.512 -7.862 3.428 1.00 0.00 C ATOM 2329 CD GLU B 63 2.201 -9.298 3.061 1.00 0.00 C ATOM 2330 OE1 GLU B 63 2.321 -10.188 3.930 1.00 0.00 O ATOM 2331 OE2 GLU B 63 1.830 -9.542 1.890 1.00 0.00 O ATOM 0 H GLU B 63 2.173 -9.426 5.480 1.00 0.00 H new ATOM 0 HA GLU B 63 4.143 -7.635 6.498 1.00 0.00 H new ATOM 0 HB2 GLU B 63 4.227 -6.822 4.172 1.00 0.00 H new ATOM 0 HB3 GLU B 63 4.348 -8.568 4.271 1.00 0.00 H new ATOM 0 HG2 GLU B 63 1.622 -7.404 3.860 1.00 0.00 H new ATOM 0 HG3 GLU B 63 2.748 -7.306 2.521 1.00 0.00 H new ATOM 2338 N PHE B 64 1.107 -6.572 6.193 1.00 0.00 N ATOM 2339 CA PHE B 64 0.219 -5.449 6.454 1.00 0.00 C ATOM 2340 C PHE B 64 0.451 -4.913 7.864 1.00 0.00 C ATOM 2341 O PHE B 64 0.695 -3.722 8.050 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.238 -5.870 6.272 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.150 -4.724 5.959 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.209 -4.212 4.675 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -2.950 -4.162 6.938 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -3.046 -3.158 4.373 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -3.792 -3.108 6.641 1.00 0.00 C ATOM 2348 CZ PHE B 64 -3.840 -2.607 5.357 1.00 0.00 C ATOM 0 H PHE B 64 0.632 -7.463 6.051 1.00 0.00 H new ATOM 0 HA PHE B 64 0.438 -4.655 5.740 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.299 -6.604 5.469 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.583 -6.362 7.181 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -1.592 -4.643 3.900 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -2.916 -4.551 7.945 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -3.080 -2.765 3.368 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -4.412 -2.677 7.413 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.499 -1.784 5.122 1.00 0.00 H new ATOM 2358 N GLN B 65 0.399 -5.803 8.852 1.00 0.00 N ATOM 2359 CA GLN B 65 0.693 -5.430 10.236 1.00 0.00 C ATOM 2360 C GLN B 65 2.133 -4.925 10.344 1.00 0.00 C ATOM 2361 O GLN B 65 2.423 -3.979 11.080 1.00 0.00 O ATOM 2362 CB GLN B 65 0.490 -6.634 11.166 1.00 0.00 C ATOM 2363 CG GLN B 65 0.825 -6.353 12.627 1.00 0.00 C ATOM 2364 CD GLN B 65 -0.136 -5.384 13.294 1.00 0.00 C ATOM 2365 OE1 GLN B 65 0.248 -4.625 14.183 1.00 0.00 O ATOM 2366 NE2 GLN B 65 -1.395 -5.411 12.889 1.00 0.00 N ATOM 0 H GLN B 65 0.157 -6.785 8.722 1.00 0.00 H new ATOM 0 HA GLN B 65 0.011 -4.635 10.538 1.00 0.00 H new ATOM 0 HB2 GLN B 65 -0.547 -6.961 11.098 1.00 0.00 H new ATOM 0 HB3 GLN B 65 1.108 -7.460 10.814 1.00 0.00 H new ATOM 0 HG2 GLN B 65 0.822 -7.293 13.179 1.00 0.00 H new ATOM 0 HG3 GLN B 65 1.836 -5.950 12.689 1.00 0.00 H new ATOM 0 HE21 GLN B 65 -1.679 -6.053 12.149 1.00 0.00 H new ATOM 0 HE22 GLN B 65 -2.082 -4.790 13.317 1.00 0.00 H new ATOM 2375 N THR B 66 3.017 -5.563 9.583 1.00 0.00 N ATOM 2376 CA THR B 66 4.427 -5.202 9.545 1.00 0.00 C ATOM 2377 C THR B 66 4.623 -3.716 9.233 1.00 0.00 C ATOM 2378 O THR B 66 5.317 -3.006 9.965 1.00 0.00 O ATOM 2379 CB THR B 66 5.174 -6.057 8.500 1.00 0.00 C ATOM 2380 OG1 THR B 66 5.196 -7.430 8.918 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.596 -5.559 8.272 1.00 0.00 C ATOM 0 H THR B 66 2.774 -6.345 8.975 1.00 0.00 H new ATOM 0 HA THR B 66 4.840 -5.397 10.535 1.00 0.00 H new ATOM 0 HB THR B 66 4.638 -5.970 7.555 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.317 -7.834 8.761 1.00 0.00 H new ATOM 0 HG21 THR B 66 7.087 -6.188 7.530 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.568 -4.530 7.914 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.151 -5.603 9.209 1.00 0.00 H new ATOM 2389 N MET B 67 3.993 -3.237 8.162 1.00 0.00 N ATOM 2390 CA MET B 67 4.188 -1.856 7.740 1.00 0.00 C ATOM 2391 C MET B 67 3.525 -0.874 8.705 1.00 0.00 C ATOM 2392 O MET B 67 4.040 0.221 8.913 1.00 0.00 O ATOM 2393 CB MET B 67 3.718 -1.642 6.291 1.00 0.00 C ATOM 2394 CG MET B 67 2.251 -1.945 6.028 1.00 0.00 C ATOM 2395 SD MET B 67 1.149 -0.619 6.548 1.00 0.00 S ATOM 2396 CE MET B 67 -0.425 -1.272 6.010 1.00 0.00 C ATOM 0 H MET B 67 3.353 -3.777 7.580 1.00 0.00 H new ATOM 0 HA MET B 67 5.259 -1.652 7.766 1.00 0.00 H new ATOM 0 HB2 MET B 67 3.913 -0.606 6.013 1.00 0.00 H new ATOM 0 HB3 MET B 67 4.324 -2.267 5.635 1.00 0.00 H new ATOM 0 HG2 MET B 67 2.110 -2.129 4.963 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.977 -2.862 6.549 1.00 0.00 H new ATOM 0 HE1 MET B 67 -0.759 -0.733 5.123 1.00 0.00 H new ATOM 0 HE2 MET B 67 -0.318 -2.330 5.772 1.00 0.00 H new ATOM 0 HE3 MET B 67 -1.160 -1.151 6.806 1.00 0.00 H new ATOM 2406 N VAL B 68 2.410 -1.275 9.321 1.00 0.00 N ATOM 2407 CA VAL B 68 1.743 -0.432 10.319 1.00 0.00 C ATOM 2408 C VAL B 68 2.738 -0.017 11.405 1.00 0.00 C ATOM 2409 O VAL B 68 2.858 1.169 11.750 1.00 0.00 O ATOM 2410 CB VAL B 68 0.543 -1.156 10.981 1.00 0.00 C ATOM 2411 CG1 VAL B 68 -0.130 -0.266 12.019 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.463 -1.595 9.932 1.00 0.00 C ATOM 0 H VAL B 68 1.952 -2.170 9.149 1.00 0.00 H new ATOM 0 HA VAL B 68 1.365 0.448 9.798 1.00 0.00 H new ATOM 0 HB VAL B 68 0.926 -2.041 11.489 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -0.968 -0.799 12.467 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.589 -0.004 12.795 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.493 0.643 11.539 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.297 -2.101 10.417 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -0.832 -0.722 9.394 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.017 -2.278 9.231 1.00 0.00 H new ATOM 2422 N ASP B 69 3.471 -1.002 11.912 1.00 0.00 N ATOM 2423 CA ASP B 69 4.454 -0.778 12.970 1.00 0.00 C ATOM 2424 C ASP B 69 5.667 -0.013 12.436 1.00 0.00 C ATOM 2425 O ASP B 69 6.163 0.919 13.076 1.00 0.00 O ATOM 2426 CB ASP B 69 4.893 -2.120 13.567 1.00 0.00 C ATOM 2427 CG ASP B 69 5.834 -1.963 14.747 1.00 0.00 C ATOM 2428 OD1 ASP B 69 7.062 -1.921 14.534 1.00 0.00 O ATOM 2429 OD2 ASP B 69 5.347 -1.903 15.898 1.00 0.00 O ATOM 0 H ASP B 69 3.403 -1.972 11.605 1.00 0.00 H new ATOM 0 HA ASP B 69 3.990 -0.174 13.750 1.00 0.00 H new ATOM 0 HB2 ASP B 69 4.011 -2.677 13.884 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.383 -2.712 12.794 1.00 0.00 H new ATOM 2434 N ALA B 70 6.123 -0.392 11.247 1.00 0.00 N ATOM 2435 CA ALA B 70 7.287 0.235 10.635 1.00 0.00 C ATOM 2436 C ALA B 70 7.046 1.717 10.367 1.00 0.00 C ATOM 2437 O ALA B 70 7.946 2.538 10.527 1.00 0.00 O ATOM 2438 CB ALA B 70 7.655 -0.481 9.348 1.00 0.00 C ATOM 0 H ALA B 70 5.702 -1.133 10.687 1.00 0.00 H new ATOM 0 HA ALA B 70 8.117 0.154 11.336 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.526 -0.002 8.901 1.00 0.00 H new ATOM 0 HB2 ALA B 70 7.886 -1.524 9.565 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.818 -0.432 8.652 1.00 0.00 H new ATOM 2444 N PHE B 71 5.826 2.059 9.970 1.00 0.00 N ATOM 2445 CA PHE B 71 5.480 3.444 9.695 1.00 0.00 C ATOM 2446 C PHE B 71 5.373 4.251 10.985 1.00 0.00 C ATOM 2447 O PHE B 71 5.617 5.459 10.986 1.00 0.00 O ATOM 2448 CB PHE B 71 4.195 3.534 8.869 1.00 0.00 C ATOM 2449 CG PHE B 71 4.382 3.032 7.465 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.544 3.326 6.769 1.00 0.00 C ATOM 2451 CD2 PHE B 71 3.411 2.267 6.844 1.00 0.00 C ATOM 2452 CE1 PHE B 71 5.736 2.865 5.484 1.00 0.00 C ATOM 2453 CE2 PHE B 71 3.596 1.803 5.555 1.00 0.00 C ATOM 2454 CZ PHE B 71 4.761 2.104 4.875 1.00 0.00 C ATOM 0 H PHE B 71 5.063 1.396 9.832 1.00 0.00 H new ATOM 0 HA PHE B 71 6.284 3.881 9.103 1.00 0.00 H new ATOM 0 HB2 PHE B 71 3.411 2.956 9.358 1.00 0.00 H new ATOM 0 HB3 PHE B 71 3.856 4.570 8.840 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.310 3.925 7.240 1.00 0.00 H new ATOM 0 HD2 PHE B 71 2.499 2.030 7.372 1.00 0.00 H new ATOM 0 HE1 PHE B 71 6.648 3.100 4.956 1.00 0.00 H new ATOM 0 HE2 PHE B 71 2.831 1.206 5.080 1.00 0.00 H new ATOM 0 HZ PHE B 71 4.907 1.743 3.868 1.00 0.00 H new ATOM 2464 N LYS B 72 5.024 3.586 12.087 1.00 0.00 N ATOM 2465 CA LYS B 72 5.076 4.226 13.405 1.00 0.00 C ATOM 2466 C LYS B 72 6.508 4.581 13.758 1.00 0.00 C ATOM 2467 O LYS B 72 6.773 5.547 14.466 1.00 0.00 O ATOM 2468 CB LYS B 72 4.505 3.306 14.478 1.00 0.00 C ATOM 2469 CG LYS B 72 3.059 2.971 14.247 1.00 0.00 C ATOM 2470 CD LYS B 72 2.211 4.228 14.206 1.00 0.00 C ATOM 2471 CE LYS B 72 1.257 4.202 13.033 1.00 0.00 C ATOM 2472 NZ LYS B 72 0.550 2.901 12.931 1.00 0.00 N ATOM 0 H LYS B 72 4.706 2.617 12.096 1.00 0.00 H new ATOM 0 HA LYS B 72 4.475 5.134 13.363 1.00 0.00 H new ATOM 0 HB2 LYS B 72 5.087 2.385 14.507 1.00 0.00 H new ATOM 0 HB3 LYS B 72 4.612 3.782 15.453 1.00 0.00 H new ATOM 0 HG2 LYS B 72 2.953 2.426 13.309 1.00 0.00 H new ATOM 0 HG3 LYS B 72 2.703 2.313 15.040 1.00 0.00 H new ATOM 0 HD2 LYS B 72 1.648 4.321 15.135 1.00 0.00 H new ATOM 0 HD3 LYS B 72 2.856 5.104 14.135 1.00 0.00 H new ATOM 0 HE2 LYS B 72 0.528 5.005 13.139 1.00 0.00 H new ATOM 0 HE3 LYS B 72 1.808 4.390 12.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -0.337 3.028 12.403 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 1.154 2.216 12.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.337 2.546 13.885 1.00 0.00 H new ATOM 2486 N GLY B 73 7.423 3.783 13.250 1.00 0.00 N ATOM 2487 CA GLY B 73 8.832 4.027 13.484 1.00 0.00 C ATOM 2488 C GLY B 73 9.508 4.677 12.293 1.00 0.00 C ATOM 2489 O GLY B 73 10.709 4.500 12.082 1.00 0.00 O ATOM 0 H GLY B 73 7.220 2.965 12.676 1.00 0.00 H new ATOM 0 HA2 GLY B 73 8.947 4.667 14.359 1.00 0.00 H new ATOM 0 HA3 GLY B 73 9.329 3.084 13.711 1.00 0.00 H new ATOM 2493 N ASN B 74 8.740 5.427 11.510 1.00 0.00 N ATOM 2494 CA ASN B 74 9.270 6.074 10.316 1.00 0.00 C ATOM 2495 C ASN B 74 8.641 7.450 10.116 1.00 0.00 C ATOM 2496 O ASN B 74 9.323 8.470 10.192 1.00 0.00 O ATOM 2497 CB ASN B 74 9.028 5.201 9.081 1.00 0.00 C ATOM 2498 CG ASN B 74 9.786 5.696 7.862 1.00 0.00 C ATOM 2499 OD1 ASN B 74 9.290 6.520 7.095 1.00 0.00 O ATOM 2500 ND2 ASN B 74 10.997 5.192 7.675 1.00 0.00 N ATOM 0 H ASN B 74 7.750 5.602 11.681 1.00 0.00 H new ATOM 0 HA ASN B 74 10.344 6.203 10.452 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.328 4.176 9.300 1.00 0.00 H new ATOM 0 HB3 ASN B 74 7.961 5.180 8.858 1.00 0.00 H new ATOM 0 HD21 ASN B 74 11.553 5.486 6.872 1.00 0.00 H new ATOM 0 HD22 ASN B 74 11.373 4.510 8.334 1.00 0.00 H new ATOM 2507 N LEU B 75 7.335 7.479 9.871 1.00 0.00 N ATOM 2508 CA LEU B 75 6.635 8.740 9.647 1.00 0.00 C ATOM 2509 C LEU B 75 6.120 9.314 10.958 1.00 0.00 C ATOM 2510 O LEU B 75 6.021 10.535 11.118 1.00 0.00 O ATOM 2511 CB LEU B 75 5.467 8.569 8.667 1.00 0.00 C ATOM 2512 CG LEU B 75 5.851 8.273 7.214 1.00 0.00 C ATOM 2513 CD1 LEU B 75 6.112 6.788 7.012 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.769 8.765 6.267 1.00 0.00 C ATOM 0 H LEU B 75 6.743 6.650 9.823 1.00 0.00 H new ATOM 0 HA LEU B 75 7.354 9.433 9.210 1.00 0.00 H new ATOM 0 HB2 LEU B 75 4.832 7.760 9.027 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.866 9.478 8.686 1.00 0.00 H new ATOM 0 HG LEU B 75 6.773 8.808 6.989 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.383 6.604 5.972 1.00 0.00 H new ATOM 0 HD12 LEU B 75 6.928 6.470 7.661 1.00 0.00 H new ATOM 0 HD13 LEU B 75 5.212 6.224 7.258 1.00 0.00 H new ATOM 0 HD21 LEU B 75 5.058 8.547 5.239 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.830 8.261 6.495 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.642 9.841 6.387 1.00 0.00 H new ATOM 2526 N GLU B 76 5.779 8.433 11.885 1.00 0.00 N ATOM 2527 CA GLU B 76 5.300 8.848 13.195 1.00 0.00 C ATOM 2528 C GLU B 76 6.475 9.304 14.058 1.00 0.00 C ATOM 2529 O GLU B 76 7.104 8.502 14.743 1.00 0.00 O ATOM 2530 CB GLU B 76 4.547 7.694 13.873 1.00 0.00 C ATOM 2531 CG GLU B 76 3.946 8.045 15.228 1.00 0.00 C ATOM 2532 CD GLU B 76 2.726 8.937 15.119 1.00 0.00 C ATOM 2533 OE1 GLU B 76 2.441 9.434 14.015 1.00 0.00 O ATOM 2534 OE2 GLU B 76 2.037 9.134 16.143 1.00 0.00 O ATOM 0 H GLU B 76 5.825 7.422 11.754 1.00 0.00 H new ATOM 0 HA GLU B 76 4.611 9.684 13.075 1.00 0.00 H new ATOM 0 HB2 GLU B 76 3.749 7.359 13.211 1.00 0.00 H new ATOM 0 HB3 GLU B 76 5.231 6.854 13.999 1.00 0.00 H new ATOM 0 HG2 GLU B 76 3.673 7.127 15.748 1.00 0.00 H new ATOM 0 HG3 GLU B 76 4.701 8.543 15.837 1.00 0.00 H new