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 40 LYS NZ :NH3+ -130:sc= -0.628 (180deg=-3.27!) USER MOD Set 1.2: B 60 SER OG : rot 77:sc= 0.399 USER MOD Set 2.1: A 55 LYS NZ :NH3+ -121:sc= 0.162 (180deg=-0.0772) USER MOD Set 2.2: B 58 THR OG1 : rot 179:sc= 0.113 USER MOD Set 3.1: A 26 THR OG1 : rot 14:sc= 1.08 USER MOD Set 3.2: A 47 SER OG : rot -4:sc= 1.71 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.12) USER MOD Single : A 17 THR OG1 : rot -79:sc= 1.2 USER MOD Single : A 19 SER OG : rot 104:sc= -1.54! USER MOD Single : A 21 ASN : amide:sc= 0.17 K(o=0.17,f=-7.7!) USER MOD Single : A 23 LYS NZ :NH3+ -169:sc= -0.0183 (180deg=-0.187) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 0.676 (180deg=-0.525!) USER MOD Single : A 30 ASN : amide:sc= -0.356 K(o=-0.36,f=-4.8!) USER MOD Single : A 33 SER OG : rot -139:sc= 0.734 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -50:sc= 1.23 USER MOD Single : A 60 SER OG : rot -72:sc= 1.27 USER MOD Single : A 61 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.6!) USER MOD Single : A 65 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.3) USER MOD Single : A 66 THR OG1 : rot 85:sc= 1.24 USER MOD Single : A 67 MET CE :methyl -124:sc= -0.0325 (180deg=-2.41!) USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 2.14 (180deg=2) USER MOD Single : A 74 ASN : amide:sc= -0.544 K(o=-0.54,f=-4.6!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 HIS : no HE2:sc= 0.28 K(o=0.28,f=-5.9!) USER MOD Single : B 17 THR OG1 : rot -43:sc= 1.29 USER MOD Single : B 19 SER OG : rot 180:sc= -0.0198 USER MOD Single : B 21 ASN : amide:sc=0.000907 X(o=0.00091,f=0) USER MOD Single : B 23 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0342) USER MOD Single : B 26 THR OG1 : rot 180:sc= -0.0136 USER MOD Single : B 27 LYS NZ :NH3+ -167:sc= 2.03 (180deg=1.61) USER MOD Single : B 30 ASN : amide:sc= -2.42! C(o=-2.4!,f=-5.2!) USER MOD Single : B 33 SER OG : rot -123:sc= 1.24 USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : B 47 SER OG : rot -69:sc= 0.221 USER MOD Single : B 55 LYS NZ :NH3+ -168:sc= -0.0131 (180deg=-0.14) USER MOD Single : B 61 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : B 65 GLN : amide:sc= 0.493 K(o=0.49,f=-1.5) USER MOD Single : B 66 THR OG1 : rot 73:sc= 1.28 USER MOD Single : B 67 MET CE :methyl -108:sc= -0.267 (180deg=-0.599) USER MOD Single : B 72 LYS NZ :NH3+ 170:sc= -3.4! (180deg=-3.83!) USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 11.688 8.453 -16.426 1.00 0.00 N ATOM 127 CA THR A 8 12.643 7.713 -15.618 1.00 0.00 C ATOM 128 C THR A 8 12.229 7.687 -14.149 1.00 0.00 C ATOM 129 O THR A 8 11.520 8.577 -13.672 1.00 0.00 O ATOM 130 CB THR A 8 14.065 8.312 -15.755 1.00 0.00 C ATOM 131 OG1 THR A 8 15.027 7.516 -15.048 1.00 0.00 O ATOM 132 CG2 THR A 8 14.111 9.740 -15.232 1.00 0.00 C ATOM 0 HA THR A 8 12.655 6.688 -15.989 1.00 0.00 H new ATOM 0 HB THR A 8 14.314 8.315 -16.816 1.00 0.00 H new ATOM 0 HG1 THR A 8 15.918 7.912 -15.150 1.00 0.00 H new ATOM 0 HG21 THR A 8 15.121 10.135 -15.341 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.416 10.358 -15.801 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.828 9.751 -14.179 1.00 0.00 H new ATOM 140 N PHE A 9 12.673 6.653 -13.448 1.00 0.00 N ATOM 141 CA PHE A 9 12.398 6.495 -12.030 1.00 0.00 C ATOM 142 C PHE A 9 13.599 5.849 -11.343 1.00 0.00 C ATOM 143 O PHE A 9 14.229 4.949 -11.902 1.00 0.00 O ATOM 144 CB PHE A 9 11.131 5.651 -11.817 1.00 0.00 C ATOM 145 CG PHE A 9 11.143 4.321 -12.525 1.00 0.00 C ATOM 146 CD1 PHE A 9 10.698 4.212 -13.835 1.00 0.00 C ATOM 147 CD2 PHE A 9 11.589 3.180 -11.877 1.00 0.00 C ATOM 148 CE1 PHE A 9 10.703 2.990 -14.483 1.00 0.00 C ATOM 149 CE2 PHE A 9 11.594 1.957 -12.520 1.00 0.00 C ATOM 150 CZ PHE A 9 11.151 1.863 -13.825 1.00 0.00 C ATOM 0 H PHE A 9 13.234 5.901 -13.848 1.00 0.00 H new ATOM 0 HA PHE A 9 12.226 7.477 -11.589 1.00 0.00 H new ATOM 0 HB2 PHE A 9 10.999 5.479 -10.749 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.267 6.222 -12.157 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.344 5.091 -14.354 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.937 3.248 -10.857 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.356 2.918 -15.503 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.944 1.076 -12.003 1.00 0.00 H new ATOM 0 HZ PHE A 9 11.155 0.908 -14.330 1.00 0.00 H new ATOM 160 N GLU A 10 13.937 6.322 -10.154 1.00 0.00 N ATOM 161 CA GLU A 10 15.079 5.783 -9.427 1.00 0.00 C ATOM 162 C GLU A 10 14.740 5.602 -7.950 1.00 0.00 C ATOM 163 O GLU A 10 13.877 6.295 -7.416 1.00 0.00 O ATOM 164 CB GLU A 10 16.287 6.706 -9.591 1.00 0.00 C ATOM 165 CG GLU A 10 17.588 6.101 -9.094 1.00 0.00 C ATOM 166 CD GLU A 10 18.799 6.920 -9.478 1.00 0.00 C ATOM 167 OE1 GLU A 10 19.194 6.880 -10.665 1.00 0.00 O ATOM 168 OE2 GLU A 10 19.379 7.582 -8.594 1.00 0.00 O ATOM 0 H GLU A 10 13.442 7.073 -9.673 1.00 0.00 H new ATOM 0 HA GLU A 10 15.326 4.805 -9.841 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.396 6.964 -10.644 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.099 7.635 -9.053 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.548 6.006 -8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.693 5.094 -9.498 1.00 0.00 H new ATOM 175 N ILE A 11 15.405 4.658 -7.299 1.00 0.00 N ATOM 176 CA ILE A 11 15.156 4.386 -5.893 1.00 0.00 C ATOM 177 C ILE A 11 15.995 5.300 -5.007 1.00 0.00 C ATOM 178 O ILE A 11 17.227 5.265 -5.045 1.00 0.00 O ATOM 179 CB ILE A 11 15.461 2.915 -5.540 1.00 0.00 C ATOM 180 CG1 ILE A 11 14.643 1.974 -6.433 1.00 0.00 C ATOM 181 CG2 ILE A 11 15.168 2.646 -4.069 1.00 0.00 C ATOM 182 CD1 ILE A 11 14.933 0.506 -6.196 1.00 0.00 C ATOM 0 H ILE A 11 16.121 4.068 -7.723 1.00 0.00 H new ATOM 0 HA ILE A 11 14.098 4.578 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 11 16.520 2.728 -5.717 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.582 2.158 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 11 14.845 2.211 -7.477 1.00 0.00 H new ATOM 0 HG21 ILE A 11 15.389 1.604 -3.839 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.789 3.294 -3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 11 14.116 2.848 -3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.318 -0.099 -6.863 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.986 0.307 -6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.704 0.252 -5.161 1.00 0.00 H new ATOM 194 N GLU A 12 15.319 6.125 -4.223 1.00 0.00 N ATOM 195 CA GLU A 12 15.984 7.048 -3.312 1.00 0.00 C ATOM 196 C GLU A 12 16.281 6.357 -1.987 1.00 0.00 C ATOM 197 O GLU A 12 17.375 6.476 -1.433 1.00 0.00 O ATOM 198 CB GLU A 12 15.091 8.264 -3.068 1.00 0.00 C ATOM 199 CG GLU A 12 14.703 9.006 -4.338 1.00 0.00 C ATOM 200 CD GLU A 12 15.876 9.702 -4.989 1.00 0.00 C ATOM 201 OE1 GLU A 12 16.246 10.801 -4.525 1.00 0.00 O ATOM 202 OE2 GLU A 12 16.431 9.157 -5.966 1.00 0.00 O ATOM 0 H GLU A 12 14.301 6.175 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 12 16.923 7.371 -3.761 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.185 7.941 -2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.606 8.953 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.265 8.302 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.934 9.742 -4.103 1.00 0.00 H new ATOM 209 N GLU A 13 15.291 5.625 -1.499 1.00 0.00 N ATOM 210 CA GLU A 13 15.381 4.933 -0.222 1.00 0.00 C ATOM 211 C GLU A 13 14.442 3.736 -0.223 1.00 0.00 C ATOM 212 O GLU A 13 13.371 3.790 -0.829 1.00 0.00 O ATOM 213 CB GLU A 13 15.005 5.886 0.919 1.00 0.00 C ATOM 214 CG GLU A 13 14.861 5.205 2.275 1.00 0.00 C ATOM 215 CD GLU A 13 14.284 6.125 3.330 1.00 0.00 C ATOM 216 OE1 GLU A 13 13.473 7.003 2.978 1.00 0.00 O ATOM 217 OE2 GLU A 13 14.646 5.978 4.519 1.00 0.00 O ATOM 0 H GLU A 13 14.400 5.494 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 13 16.405 4.589 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 13 15.765 6.664 0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.066 6.380 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.220 4.330 2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.837 4.848 2.604 1.00 0.00 H new ATOM 224 N HIS A 14 14.836 2.655 0.430 1.00 0.00 N ATOM 225 CA HIS A 14 13.944 1.520 0.587 1.00 0.00 C ATOM 226 C HIS A 14 13.389 1.519 2.011 1.00 0.00 C ATOM 227 O HIS A 14 14.148 1.536 2.982 1.00 0.00 O ATOM 228 CB HIS A 14 14.646 0.188 0.228 1.00 0.00 C ATOM 229 CG HIS A 14 15.440 -0.455 1.328 1.00 0.00 C ATOM 230 ND1 HIS A 14 15.051 -1.627 1.941 1.00 0.00 N ATOM 231 CD2 HIS A 14 16.606 -0.098 1.911 1.00 0.00 C ATOM 232 CE1 HIS A 14 15.943 -1.957 2.854 1.00 0.00 C ATOM 233 NE2 HIS A 14 16.898 -1.050 2.856 1.00 0.00 N ATOM 0 H HIS A 14 15.756 2.540 0.855 1.00 0.00 H new ATOM 0 HA HIS A 14 13.112 1.614 -0.111 1.00 0.00 H new ATOM 0 HB2 HIS A 14 13.888 -0.520 -0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 14 15.311 0.367 -0.617 1.00 0.00 H new ATOM 0 HD2 HIS A 14 17.198 0.774 1.677 1.00 0.00 H new ATOM 0 HE1 HIS A 14 15.898 -2.826 3.494 1.00 0.00 H new ATOM 0 HE2 HIS A 14 17.720 -1.054 3.460 1.00 0.00 H new ATOM 242 N LEU A 15 12.070 1.541 2.133 1.00 0.00 N ATOM 243 CA LEU A 15 11.432 1.652 3.441 1.00 0.00 C ATOM 244 C LEU A 15 11.473 0.318 4.168 1.00 0.00 C ATOM 245 O LEU A 15 12.150 0.178 5.185 1.00 0.00 O ATOM 246 CB LEU A 15 9.988 2.137 3.298 1.00 0.00 C ATOM 247 CG LEU A 15 9.825 3.483 2.586 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.358 3.824 2.411 1.00 0.00 C ATOM 249 CD2 LEU A 15 10.530 4.588 3.358 1.00 0.00 C ATOM 0 H LEU A 15 11.421 1.484 1.348 1.00 0.00 H new ATOM 0 HA LEU A 15 11.984 2.385 4.029 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.420 1.383 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.546 2.213 4.291 1.00 0.00 H new ATOM 0 HG LEU A 15 10.282 3.400 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.266 4.784 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.873 3.050 1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.879 3.883 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.402 5.536 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.102 4.664 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.592 4.357 3.435 1.00 0.00 H new ATOM 261 N LEU A 16 10.760 -0.664 3.635 1.00 0.00 N ATOM 262 CA LEU A 16 10.773 -2.004 4.201 1.00 0.00 C ATOM 263 C LEU A 16 10.283 -3.018 3.180 1.00 0.00 C ATOM 264 O LEU A 16 9.363 -2.748 2.402 1.00 0.00 O ATOM 265 CB LEU A 16 9.915 -2.092 5.475 1.00 0.00 C ATOM 266 CG LEU A 16 8.442 -1.707 5.321 1.00 0.00 C ATOM 267 CD1 LEU A 16 7.569 -2.637 6.144 1.00 0.00 C ATOM 268 CD2 LEU A 16 8.218 -0.271 5.761 1.00 0.00 C ATOM 0 H LEU A 16 10.166 -0.558 2.813 1.00 0.00 H new ATOM 0 HA LEU A 16 11.804 -2.232 4.471 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.965 -3.113 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.360 -1.449 6.234 1.00 0.00 H new ATOM 0 HG LEU A 16 8.171 -1.799 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.523 -2.353 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.707 -3.663 5.802 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.849 -2.564 7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.165 -0.015 5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.504 -0.162 6.807 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.824 0.396 5.148 1.00 0.00 H new ATOM 280 N THR A 17 10.921 -4.179 3.173 1.00 0.00 N ATOM 281 CA THR A 17 10.518 -5.272 2.313 1.00 0.00 C ATOM 282 C THR A 17 9.481 -6.132 3.028 1.00 0.00 C ATOM 283 O THR A 17 9.714 -6.589 4.147 1.00 0.00 O ATOM 284 CB THR A 17 11.736 -6.134 1.930 1.00 0.00 C ATOM 285 OG1 THR A 17 12.805 -5.286 1.488 1.00 0.00 O ATOM 286 CG2 THR A 17 11.385 -7.128 0.831 1.00 0.00 C ATOM 0 H THR A 17 11.728 -4.385 3.762 1.00 0.00 H new ATOM 0 HA THR A 17 10.083 -4.860 1.403 1.00 0.00 H new ATOM 0 HB THR A 17 12.047 -6.696 2.811 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.640 -5.006 0.563 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.265 -7.722 0.583 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.589 -7.787 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.050 -6.588 -0.055 1.00 0.00 H new ATOM 294 N LEU A 18 8.338 -6.342 2.391 1.00 0.00 N ATOM 295 CA LEU A 18 7.249 -7.078 3.017 1.00 0.00 C ATOM 296 C LEU A 18 7.500 -8.576 2.941 1.00 0.00 C ATOM 297 O LEU A 18 7.726 -9.229 3.960 1.00 0.00 O ATOM 298 CB LEU A 18 5.913 -6.731 2.355 1.00 0.00 C ATOM 299 CG LEU A 18 5.574 -5.238 2.316 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.206 -5.022 1.697 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.629 -4.634 3.711 1.00 0.00 C ATOM 0 H LEU A 18 8.141 -6.015 1.445 1.00 0.00 H new ATOM 0 HA LEU A 18 7.203 -6.787 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.922 -7.112 1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.117 -7.255 2.884 1.00 0.00 H new ATOM 0 HG LEU A 18 6.318 -4.735 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.980 -3.956 1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.201 -5.413 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.453 -5.541 2.289 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.385 -3.573 3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.910 -5.140 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.632 -4.755 4.121 1.00 0.00 H new ATOM 313 N SER A 19 7.484 -9.119 1.732 1.00 0.00 N ATOM 314 CA SER A 19 7.665 -10.549 1.547 1.00 0.00 C ATOM 315 C SER A 19 8.520 -10.835 0.325 1.00 0.00 C ATOM 316 O SER A 19 8.530 -10.062 -0.638 1.00 0.00 O ATOM 317 CB SER A 19 6.314 -11.241 1.371 1.00 0.00 C ATOM 318 OG SER A 19 5.381 -10.814 2.344 1.00 0.00 O ATOM 0 H SER A 19 7.348 -8.593 0.869 1.00 0.00 H new ATOM 0 HA SER A 19 8.165 -10.934 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.924 -11.031 0.375 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.446 -12.321 1.441 1.00 0.00 H new ATOM 0 HG SER A 19 4.749 -10.185 1.937 1.00 0.00 H new ATOM 324 N GLU A 20 9.234 -11.944 0.373 1.00 0.00 N ATOM 325 CA GLU A 20 9.954 -12.443 -0.783 1.00 0.00 C ATOM 326 C GLU A 20 9.241 -13.673 -1.323 1.00 0.00 C ATOM 327 O GLU A 20 9.193 -14.712 -0.663 1.00 0.00 O ATOM 328 CB GLU A 20 11.394 -12.803 -0.414 1.00 0.00 C ATOM 329 CG GLU A 20 12.175 -13.419 -1.565 1.00 0.00 C ATOM 330 CD GLU A 20 13.534 -13.927 -1.145 1.00 0.00 C ATOM 331 OE1 GLU A 20 13.611 -15.049 -0.604 1.00 0.00 O ATOM 332 OE2 GLU A 20 14.536 -13.215 -1.373 1.00 0.00 O ATOM 0 H GLU A 20 9.331 -12.521 1.209 1.00 0.00 H new ATOM 0 HA GLU A 20 9.980 -11.663 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.910 -11.905 -0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.383 -13.501 0.423 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.600 -14.242 -1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.298 -12.676 -2.353 1.00 0.00 H new ATOM 339 N ASN A 21 8.661 -13.557 -2.503 1.00 0.00 N ATOM 340 CA ASN A 21 8.014 -14.698 -3.124 1.00 0.00 C ATOM 341 C ASN A 21 9.087 -15.620 -3.685 1.00 0.00 C ATOM 342 O ASN A 21 9.956 -15.178 -4.439 1.00 0.00 O ATOM 343 CB ASN A 21 7.052 -14.251 -4.233 1.00 0.00 C ATOM 344 CG ASN A 21 6.150 -15.372 -4.727 1.00 0.00 C ATOM 345 OD1 ASN A 21 6.520 -16.544 -4.716 1.00 0.00 O ATOM 346 ND2 ASN A 21 4.954 -15.014 -5.168 1.00 0.00 N ATOM 0 H ASN A 21 8.624 -12.694 -3.046 1.00 0.00 H new ATOM 0 HA ASN A 21 7.424 -15.229 -2.377 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.435 -13.432 -3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.629 -13.861 -5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.305 -15.721 -5.514 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.681 -14.031 -5.162 1.00 0.00 H new ATOM 353 N GLU A 22 9.016 -16.896 -3.323 1.00 0.00 N ATOM 354 CA GLU A 22 10.037 -17.872 -3.698 1.00 0.00 C ATOM 355 C GLU A 22 10.109 -18.044 -5.213 1.00 0.00 C ATOM 356 O GLU A 22 11.064 -18.613 -5.740 1.00 0.00 O ATOM 357 CB GLU A 22 9.749 -19.216 -3.031 1.00 0.00 C ATOM 358 CG GLU A 22 9.589 -19.116 -1.524 1.00 0.00 C ATOM 359 CD GLU A 22 9.534 -20.470 -0.854 1.00 0.00 C ATOM 360 OE1 GLU A 22 8.547 -21.205 -1.055 1.00 0.00 O ATOM 361 OE2 GLU A 22 10.492 -20.811 -0.128 1.00 0.00 O ATOM 0 H GLU A 22 8.255 -17.283 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 22 11.002 -17.499 -3.354 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.840 -19.639 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.560 -19.908 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.420 -18.544 -1.111 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.677 -18.564 -1.295 1.00 0.00 H new ATOM 368 N LYS A 23 9.092 -17.545 -5.904 1.00 0.00 N ATOM 369 CA LYS A 23 9.060 -17.568 -7.358 1.00 0.00 C ATOM 370 C LYS A 23 10.098 -16.595 -7.930 1.00 0.00 C ATOM 371 O LYS A 23 10.414 -16.631 -9.121 1.00 0.00 O ATOM 372 CB LYS A 23 7.652 -17.212 -7.848 1.00 0.00 C ATOM 373 CG LYS A 23 7.446 -17.420 -9.338 1.00 0.00 C ATOM 374 CD LYS A 23 6.014 -17.119 -9.739 1.00 0.00 C ATOM 375 CE LYS A 23 5.780 -17.376 -11.217 1.00 0.00 C ATOM 376 NZ LYS A 23 6.644 -16.526 -12.073 1.00 0.00 N ATOM 0 H LYS A 23 8.272 -17.116 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 23 9.309 -18.570 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.926 -17.815 -7.303 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.447 -16.169 -7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.126 -16.776 -9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.692 -18.448 -9.602 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.334 -17.735 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.782 -16.079 -9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.972 -18.426 -11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.734 -17.187 -11.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.327 -16.593 -13.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.582 -15.537 -11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.630 -16.851 -12.002 1.00 0.00 H new ATOM 390 N GLY A 24 10.627 -15.732 -7.071 1.00 0.00 N ATOM 391 CA GLY A 24 11.669 -14.815 -7.483 1.00 0.00 C ATOM 392 C GLY A 24 11.179 -13.387 -7.610 1.00 0.00 C ATOM 393 O GLY A 24 11.666 -12.642 -8.456 1.00 0.00 O ATOM 0 H GLY A 24 10.350 -15.652 -6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.485 -14.851 -6.761 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.076 -15.141 -8.440 1.00 0.00 H new ATOM 397 N TRP A 25 10.211 -13.014 -6.776 1.00 0.00 N ATOM 398 CA TRP A 25 9.652 -11.663 -6.780 1.00 0.00 C ATOM 399 C TRP A 25 9.496 -11.136 -5.353 1.00 0.00 C ATOM 400 O TRP A 25 8.753 -11.702 -4.553 1.00 0.00 O ATOM 401 CB TRP A 25 8.284 -11.645 -7.480 1.00 0.00 C ATOM 402 CG TRP A 25 8.346 -11.278 -8.931 1.00 0.00 C ATOM 403 CD1 TRP A 25 9.268 -11.690 -9.843 1.00 0.00 C ATOM 404 CD2 TRP A 25 7.435 -10.429 -9.638 1.00 0.00 C ATOM 405 NE1 TRP A 25 9.004 -11.131 -11.070 1.00 0.00 N ATOM 406 CE2 TRP A 25 7.878 -10.360 -10.971 1.00 0.00 C ATOM 407 CE3 TRP A 25 6.289 -9.716 -9.272 1.00 0.00 C ATOM 408 CZ2 TRP A 25 7.215 -9.609 -11.938 1.00 0.00 C ATOM 409 CZ3 TRP A 25 5.631 -8.974 -10.233 1.00 0.00 C ATOM 410 CH2 TRP A 25 6.095 -8.924 -11.552 1.00 0.00 C ATOM 0 H TRP A 25 9.794 -13.635 -6.082 1.00 0.00 H new ATOM 0 HA TRP A 25 10.343 -11.020 -7.324 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.826 -12.629 -7.384 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.633 -10.939 -6.965 1.00 0.00 H new ATOM 0 HD1 TRP A 25 10.089 -12.360 -9.633 1.00 0.00 H new ATOM 0 HE1 TRP A 25 9.557 -11.268 -11.916 1.00 0.00 H new ATOM 0 HE3 TRP A 25 5.925 -9.745 -8.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.572 -9.569 -12.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.743 -8.423 -9.962 1.00 0.00 H new ATOM 0 HH2 TRP A 25 5.559 -8.333 -12.280 1.00 0.00 H new ATOM 421 N THR A 26 10.199 -10.063 -5.030 1.00 0.00 N ATOM 422 CA THR A 26 10.067 -9.442 -3.721 1.00 0.00 C ATOM 423 C THR A 26 9.053 -8.304 -3.769 1.00 0.00 C ATOM 424 O THR A 26 9.032 -7.524 -4.720 1.00 0.00 O ATOM 425 CB THR A 26 11.423 -8.905 -3.216 1.00 0.00 C ATOM 426 OG1 THR A 26 12.059 -8.121 -4.233 1.00 0.00 O ATOM 427 CG2 THR A 26 12.340 -10.044 -2.806 1.00 0.00 C ATOM 0 H THR A 26 10.864 -9.605 -5.653 1.00 0.00 H new ATOM 0 HA THR A 26 9.718 -10.208 -3.028 1.00 0.00 H new ATOM 0 HB THR A 26 11.231 -8.279 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.411 -7.912 -4.938 1.00 0.00 H new ATOM 0 HG21 THR A 26 13.289 -9.639 -2.454 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.872 -10.618 -2.007 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.519 -10.694 -3.663 1.00 0.00 H new ATOM 435 N LYS A 27 8.218 -8.212 -2.746 1.00 0.00 N ATOM 436 CA LYS A 27 7.219 -7.155 -2.673 1.00 0.00 C ATOM 437 C LYS A 27 7.554 -6.234 -1.512 1.00 0.00 C ATOM 438 O LYS A 27 7.534 -6.654 -0.355 1.00 0.00 O ATOM 439 CB LYS A 27 5.814 -7.756 -2.504 1.00 0.00 C ATOM 440 CG LYS A 27 4.675 -6.788 -2.808 1.00 0.00 C ATOM 441 CD LYS A 27 4.044 -6.233 -1.546 1.00 0.00 C ATOM 442 CE LYS A 27 3.467 -7.333 -0.665 1.00 0.00 C ATOM 443 NZ LYS A 27 2.382 -8.104 -1.338 1.00 0.00 N ATOM 0 H LYS A 27 8.211 -8.856 -1.955 1.00 0.00 H new ATOM 0 HA LYS A 27 7.227 -6.581 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.722 -8.623 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.706 -8.115 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.052 -5.966 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.914 -7.298 -3.399 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.791 -5.673 -0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.254 -5.531 -1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.265 -8.016 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.077 -6.891 0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.746 -8.506 -0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.843 -7.471 -1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.800 -8.873 -1.900 1.00 0.00 H new ATOM 457 N GLU A 28 7.867 -4.986 -1.820 1.00 0.00 N ATOM 458 CA GLU A 28 8.307 -4.039 -0.808 1.00 0.00 C ATOM 459 C GLU A 28 7.774 -2.641 -1.085 1.00 0.00 C ATOM 460 O GLU A 28 7.106 -2.407 -2.095 1.00 0.00 O ATOM 461 CB GLU A 28 9.837 -4.017 -0.735 1.00 0.00 C ATOM 462 CG GLU A 28 10.521 -3.844 -2.082 1.00 0.00 C ATOM 463 CD GLU A 28 12.032 -3.828 -1.965 1.00 0.00 C ATOM 464 OE1 GLU A 28 12.559 -4.326 -0.944 1.00 0.00 O ATOM 465 OE2 GLU A 28 12.699 -3.310 -2.887 1.00 0.00 O ATOM 0 H GLU A 28 7.824 -4.604 -2.765 1.00 0.00 H new ATOM 0 HA GLU A 28 7.907 -4.365 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.147 -3.206 -0.076 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.182 -4.946 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.219 -4.654 -2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.185 -2.914 -2.540 1.00 0.00 H new ATOM 472 N ILE A 29 8.059 -1.728 -0.167 1.00 0.00 N ATOM 473 CA ILE A 29 7.653 -0.339 -0.300 1.00 0.00 C ATOM 474 C ILE A 29 8.888 0.550 -0.317 1.00 0.00 C ATOM 475 O ILE A 29 9.653 0.574 0.650 1.00 0.00 O ATOM 476 CB ILE A 29 6.730 0.093 0.860 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.591 -0.916 1.037 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.175 1.486 0.596 1.00 0.00 C ATOM 479 CD1 ILE A 29 4.666 -0.603 2.193 1.00 0.00 C ATOM 0 H ILE A 29 8.577 -1.930 0.688 1.00 0.00 H new ATOM 0 HA ILE A 29 7.100 -0.236 -1.233 1.00 0.00 H new ATOM 0 HB ILE A 29 7.311 0.120 1.782 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.007 -0.954 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.018 -1.908 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.525 1.781 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.998 2.195 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.604 1.480 -0.332 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.887 -1.363 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.235 -0.594 3.122 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.209 0.374 2.039 1.00 0.00 H new ATOM 491 N ASN A 30 9.088 1.267 -1.412 1.00 0.00 N ATOM 492 CA ASN A 30 10.294 2.071 -1.584 1.00 0.00 C ATOM 493 C ASN A 30 9.953 3.502 -1.966 1.00 0.00 C ATOM 494 O ASN A 30 8.826 3.802 -2.361 1.00 0.00 O ATOM 495 CB ASN A 30 11.198 1.460 -2.661 1.00 0.00 C ATOM 496 CG ASN A 30 11.731 0.091 -2.283 1.00 0.00 C ATOM 497 OD1 ASN A 30 11.947 -0.204 -1.109 1.00 0.00 O ATOM 498 ND2 ASN A 30 11.944 -0.755 -3.279 1.00 0.00 N ATOM 0 H ASN A 30 8.435 1.311 -2.194 1.00 0.00 H new ATOM 0 HA ASN A 30 10.820 2.080 -0.630 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.640 1.381 -3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.036 2.131 -2.847 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.300 -1.691 -3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.752 -0.471 -4.240 1.00 0.00 H new ATOM 505 N ARG A 31 10.930 4.389 -1.838 1.00 0.00 N ATOM 506 CA ARG A 31 10.775 5.763 -2.285 1.00 0.00 C ATOM 507 C ARG A 31 11.407 5.924 -3.658 1.00 0.00 C ATOM 508 O ARG A 31 12.613 5.724 -3.823 1.00 0.00 O ATOM 509 CB ARG A 31 11.404 6.750 -1.300 1.00 0.00 C ATOM 510 CG ARG A 31 10.780 6.717 0.085 1.00 0.00 C ATOM 511 CD ARG A 31 11.217 7.913 0.916 1.00 0.00 C ATOM 512 NE ARG A 31 10.714 9.174 0.370 1.00 0.00 N ATOM 513 CZ ARG A 31 11.185 10.373 0.707 1.00 0.00 C ATOM 514 NH1 ARG A 31 12.214 10.476 1.541 1.00 0.00 N ATOM 515 NH2 ARG A 31 10.641 11.465 0.186 1.00 0.00 N ATOM 0 H ARG A 31 11.840 4.179 -1.427 1.00 0.00 H new ATOM 0 HA ARG A 31 9.709 5.985 -2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.469 6.534 -1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.315 7.758 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.694 6.710 -0.003 1.00 0.00 H new ATOM 0 HG3 ARG A 31 11.064 5.795 0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.860 7.793 1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.306 7.946 0.960 1.00 0.00 H new ATOM 0 HE ARG A 31 9.956 9.132 -0.311 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.645 9.635 1.925 1.00 0.00 H new ATOM 0 HH12 ARG A 31 12.573 11.396 1.797 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.864 11.385 -0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 31 10.999 12.385 0.442 1.00 0.00 H new ATOM 529 N VAL A 32 10.593 6.276 -4.636 1.00 0.00 N ATOM 530 CA VAL A 32 11.049 6.373 -6.012 1.00 0.00 C ATOM 531 C VAL A 32 10.957 7.811 -6.517 1.00 0.00 C ATOM 532 O VAL A 32 9.947 8.488 -6.312 1.00 0.00 O ATOM 533 CB VAL A 32 10.223 5.451 -6.933 1.00 0.00 C ATOM 534 CG1 VAL A 32 10.752 5.493 -8.355 1.00 0.00 C ATOM 535 CG2 VAL A 32 10.229 4.023 -6.409 1.00 0.00 C ATOM 0 H VAL A 32 9.607 6.501 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 32 12.091 6.055 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 32 9.195 5.814 -6.938 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.154 4.835 -8.985 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.693 6.513 -8.735 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.790 5.161 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.641 3.389 -7.073 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.254 3.654 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.796 4.001 -5.409 1.00 0.00 H new ATOM 545 N SER A 33 12.017 8.270 -7.161 1.00 0.00 N ATOM 546 CA SER A 33 12.047 9.594 -7.753 1.00 0.00 C ATOM 547 C SER A 33 11.643 9.522 -9.226 1.00 0.00 C ATOM 548 O SER A 33 12.335 8.915 -10.045 1.00 0.00 O ATOM 549 CB SER A 33 13.447 10.194 -7.599 1.00 0.00 C ATOM 550 OG SER A 33 14.448 9.242 -7.926 1.00 0.00 O ATOM 0 H SER A 33 12.877 7.737 -7.287 1.00 0.00 H new ATOM 0 HA SER A 33 11.334 10.237 -7.238 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.545 11.067 -8.245 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.588 10.538 -6.574 1.00 0.00 H new ATOM 0 HG SER A 33 15.186 9.310 -7.285 1.00 0.00 H new ATOM 556 N PHE A 34 10.508 10.124 -9.556 1.00 0.00 N ATOM 557 CA PHE A 34 9.994 10.083 -10.918 1.00 0.00 C ATOM 558 C PHE A 34 10.373 11.346 -11.686 1.00 0.00 C ATOM 559 O PHE A 34 9.985 12.449 -11.306 1.00 0.00 O ATOM 560 CB PHE A 34 8.471 9.922 -10.902 1.00 0.00 C ATOM 561 CG PHE A 34 8.000 8.654 -10.244 1.00 0.00 C ATOM 562 CD1 PHE A 34 7.936 7.468 -10.959 1.00 0.00 C ATOM 563 CD2 PHE A 34 7.618 8.651 -8.911 1.00 0.00 C ATOM 564 CE1 PHE A 34 7.502 6.302 -10.356 1.00 0.00 C ATOM 565 CE2 PHE A 34 7.184 7.489 -8.303 1.00 0.00 C ATOM 566 CZ PHE A 34 7.126 6.313 -9.026 1.00 0.00 C ATOM 0 H PHE A 34 9.927 10.646 -8.900 1.00 0.00 H new ATOM 0 HA PHE A 34 10.442 9.227 -11.422 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.031 10.774 -10.384 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.102 9.947 -11.927 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.228 7.455 -11.999 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.660 9.568 -8.342 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.457 5.384 -10.923 1.00 0.00 H new ATOM 0 HE2 PHE A 34 6.890 7.500 -7.264 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.787 5.403 -8.552 1.00 0.00 H new ATOM 576 N ASN A 35 11.152 11.171 -12.752 1.00 0.00 N ATOM 577 CA ASN A 35 11.503 12.265 -13.670 1.00 0.00 C ATOM 578 C ASN A 35 12.283 13.386 -12.987 1.00 0.00 C ATOM 579 O ASN A 35 12.273 14.527 -13.449 1.00 0.00 O ATOM 580 CB ASN A 35 10.247 12.840 -14.332 1.00 0.00 C ATOM 581 CG ASN A 35 9.750 11.993 -15.488 1.00 0.00 C ATOM 582 OD1 ASN A 35 8.954 11.072 -15.313 1.00 0.00 O ATOM 583 ND2 ASN A 35 10.233 12.288 -16.681 1.00 0.00 N ATOM 0 H ASN A 35 11.559 10.271 -13.007 1.00 0.00 H new ATOM 0 HA ASN A 35 12.154 11.831 -14.429 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.457 12.928 -13.586 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.460 13.847 -14.691 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.947 11.745 -17.496 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.892 13.059 -16.788 1.00 0.00 H new ATOM 590 N GLY A 36 12.981 13.062 -11.912 1.00 0.00 N ATOM 591 CA GLY A 36 13.767 14.063 -11.222 1.00 0.00 C ATOM 592 C GLY A 36 14.080 13.654 -9.807 1.00 0.00 C ATOM 593 O GLY A 36 14.653 12.591 -9.584 1.00 0.00 O ATOM 0 H GLY A 36 13.018 12.128 -11.505 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.697 14.232 -11.765 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.225 15.009 -11.215 1.00 0.00 H new ATOM 597 N ALA A 37 13.695 14.483 -8.847 1.00 0.00 N ATOM 598 CA ALA A 37 13.910 14.153 -7.447 1.00 0.00 C ATOM 599 C ALA A 37 12.642 14.329 -6.591 1.00 0.00 C ATOM 600 O ALA A 37 12.707 14.923 -5.514 1.00 0.00 O ATOM 601 CB ALA A 37 15.045 14.998 -6.890 1.00 0.00 C ATOM 0 H ALA A 37 13.237 15.380 -9.010 1.00 0.00 H new ATOM 0 HA ALA A 37 14.175 13.097 -7.399 1.00 0.00 H new ATOM 0 HB1 ALA A 37 15.204 14.748 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.957 14.798 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 37 14.789 16.054 -6.977 1.00 0.00 H new ATOM 607 N PRO A 38 11.460 13.840 -7.037 1.00 0.00 N ATOM 608 CA PRO A 38 10.285 13.761 -6.196 1.00 0.00 C ATOM 609 C PRO A 38 10.110 12.354 -5.638 1.00 0.00 C ATOM 610 O PRO A 38 9.439 11.511 -6.241 1.00 0.00 O ATOM 611 CB PRO A 38 9.151 14.104 -7.166 1.00 0.00 C ATOM 612 CG PRO A 38 9.687 13.809 -8.540 1.00 0.00 C ATOM 613 CD PRO A 38 11.127 13.369 -8.381 1.00 0.00 C ATOM 0 HA PRO A 38 10.329 14.420 -5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 38 8.263 13.508 -6.956 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.861 15.151 -7.075 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.098 13.028 -9.022 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.624 14.693 -9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.232 12.288 -8.469 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.773 13.815 -9.138 1.00 0.00 H new ATOM 621 N ALA A 39 10.755 12.093 -4.511 1.00 0.00 N ATOM 622 CA ALA A 39 10.754 10.764 -3.917 1.00 0.00 C ATOM 623 C ALA A 39 9.400 10.420 -3.311 1.00 0.00 C ATOM 624 O ALA A 39 9.111 10.767 -2.161 1.00 0.00 O ATOM 625 CB ALA A 39 11.848 10.649 -2.870 1.00 0.00 C ATOM 0 H ALA A 39 11.288 12.787 -3.987 1.00 0.00 H new ATOM 0 HA ALA A 39 10.951 10.047 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.833 9.649 -2.436 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.817 10.828 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.680 11.387 -2.086 1.00 0.00 H new ATOM 631 N LYS A 40 8.569 9.750 -4.095 1.00 0.00 N ATOM 632 CA LYS A 40 7.265 9.310 -3.631 1.00 0.00 C ATOM 633 C LYS A 40 7.358 7.894 -3.082 1.00 0.00 C ATOM 634 O LYS A 40 8.431 7.293 -3.090 1.00 0.00 O ATOM 635 CB LYS A 40 6.230 9.371 -4.760 1.00 0.00 C ATOM 636 CG LYS A 40 6.027 10.766 -5.324 1.00 0.00 C ATOM 637 CD LYS A 40 4.879 10.803 -6.320 1.00 0.00 C ATOM 638 CE LYS A 40 4.716 12.189 -6.920 1.00 0.00 C ATOM 639 NZ LYS A 40 3.521 12.277 -7.799 1.00 0.00 N ATOM 0 H LYS A 40 8.778 9.499 -5.061 1.00 0.00 H new ATOM 0 HA LYS A 40 6.941 9.982 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.542 8.705 -5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.276 8.996 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.827 11.463 -4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.943 11.100 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.060 10.079 -7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.954 10.508 -5.824 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.632 12.923 -6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.608 12.443 -7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.446 13.239 -8.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.612 11.594 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.667 12.060 -7.247 1.00 0.00 H new ATOM 653 N PHE A 41 6.243 7.359 -2.611 1.00 0.00 N ATOM 654 CA PHE A 41 6.237 6.048 -1.984 1.00 0.00 C ATOM 655 C PHE A 41 5.535 5.040 -2.887 1.00 0.00 C ATOM 656 O PHE A 41 4.345 5.162 -3.146 1.00 0.00 O ATOM 657 CB PHE A 41 5.531 6.128 -0.632 1.00 0.00 C ATOM 658 CG PHE A 41 6.017 7.256 0.234 1.00 0.00 C ATOM 659 CD1 PHE A 41 7.159 7.118 1.006 1.00 0.00 C ATOM 660 CD2 PHE A 41 5.330 8.460 0.273 1.00 0.00 C ATOM 661 CE1 PHE A 41 7.605 8.156 1.802 1.00 0.00 C ATOM 662 CE2 PHE A 41 5.771 9.501 1.065 1.00 0.00 C ATOM 663 CZ PHE A 41 6.909 9.350 1.832 1.00 0.00 C ATOM 0 H PHE A 41 5.330 7.813 -2.651 1.00 0.00 H new ATOM 0 HA PHE A 41 7.265 5.720 -1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.460 6.243 -0.797 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.672 5.186 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.707 6.188 0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.439 8.585 -0.324 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.496 8.034 2.400 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.226 10.433 1.085 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.255 10.163 2.454 1.00 0.00 H new ATOM 673 N ASP A 42 6.274 4.054 -3.364 1.00 0.00 N ATOM 674 CA ASP A 42 5.729 3.081 -4.302 1.00 0.00 C ATOM 675 C ASP A 42 5.733 1.684 -3.697 1.00 0.00 C ATOM 676 O ASP A 42 6.751 1.226 -3.172 1.00 0.00 O ATOM 677 CB ASP A 42 6.538 3.098 -5.604 1.00 0.00 C ATOM 678 CG ASP A 42 5.935 2.233 -6.695 1.00 0.00 C ATOM 679 OD1 ASP A 42 5.112 2.749 -7.482 1.00 0.00 O ATOM 680 OD2 ASP A 42 6.303 1.046 -6.793 1.00 0.00 O ATOM 0 H ASP A 42 7.253 3.904 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 42 4.697 3.354 -4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.614 4.124 -5.963 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.552 2.757 -5.398 1.00 0.00 H new ATOM 685 N ILE A 43 4.587 1.022 -3.750 1.00 0.00 N ATOM 686 CA ILE A 43 4.460 -0.337 -3.250 1.00 0.00 C ATOM 687 C ILE A 43 4.384 -1.288 -4.433 1.00 0.00 C ATOM 688 O ILE A 43 3.397 -1.288 -5.171 1.00 0.00 O ATOM 689 CB ILE A 43 3.197 -0.514 -2.378 1.00 0.00 C ATOM 690 CG1 ILE A 43 3.098 0.611 -1.346 1.00 0.00 C ATOM 691 CG2 ILE A 43 3.218 -1.874 -1.689 1.00 0.00 C ATOM 692 CD1 ILE A 43 1.865 0.522 -0.469 1.00 0.00 C ATOM 0 H ILE A 43 3.726 1.408 -4.137 1.00 0.00 H new ATOM 0 HA ILE A 43 5.329 -0.554 -2.629 1.00 0.00 H new ATOM 0 HB ILE A 43 2.319 -0.466 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.986 0.592 -0.714 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.096 1.570 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.323 -1.986 -1.078 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.245 -2.663 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.102 -1.947 -1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.861 1.351 0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.972 0.572 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.875 -0.421 0.078 1.00 0.00 H new ATOM 704 N ARG A 44 5.417 -2.097 -4.624 1.00 0.00 N ATOM 705 CA ARG A 44 5.525 -2.884 -5.842 1.00 0.00 C ATOM 706 C ARG A 44 6.217 -4.222 -5.596 1.00 0.00 C ATOM 707 O ARG A 44 6.982 -4.378 -4.640 1.00 0.00 O ATOM 708 CB ARG A 44 6.303 -2.078 -6.882 1.00 0.00 C ATOM 709 CG ARG A 44 6.161 -2.584 -8.304 1.00 0.00 C ATOM 710 CD ARG A 44 6.859 -1.652 -9.281 1.00 0.00 C ATOM 711 NE ARG A 44 6.403 -0.269 -9.133 1.00 0.00 N ATOM 712 CZ ARG A 44 6.175 0.554 -10.150 1.00 0.00 C ATOM 713 NH1 ARG A 44 6.359 0.135 -11.396 1.00 0.00 N ATOM 714 NH2 ARG A 44 5.757 1.793 -9.918 1.00 0.00 N ATOM 0 H ARG A 44 6.182 -2.224 -3.961 1.00 0.00 H new ATOM 0 HA ARG A 44 4.520 -3.101 -6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.969 -1.041 -6.844 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.359 -2.083 -6.612 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.586 -3.585 -8.383 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.105 -2.664 -8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 44 7.936 -1.699 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.673 -1.989 -10.301 1.00 0.00 H new ATOM 0 HE ARG A 44 6.251 0.085 -8.189 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.675 -0.819 -11.572 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.184 0.767 -12.178 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.612 2.111 -8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.581 2.426 -10.698 1.00 0.00 H new ATOM 728 N ALA A 45 5.920 -5.188 -6.455 1.00 0.00 N ATOM 729 CA ALA A 45 6.606 -6.470 -6.450 1.00 0.00 C ATOM 730 C ALA A 45 7.557 -6.555 -7.640 1.00 0.00 C ATOM 731 O ALA A 45 7.138 -6.418 -8.791 1.00 0.00 O ATOM 732 CB ALA A 45 5.600 -7.611 -6.481 1.00 0.00 C ATOM 0 H ALA A 45 5.199 -5.104 -7.172 1.00 0.00 H new ATOM 0 HA ALA A 45 7.188 -6.557 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.130 -8.564 -6.477 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.955 -7.551 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.994 -7.537 -7.384 1.00 0.00 H new ATOM 738 N TRP A 46 8.838 -6.747 -7.362 1.00 0.00 N ATOM 739 CA TRP A 46 9.847 -6.795 -8.411 1.00 0.00 C ATOM 740 C TRP A 46 11.084 -7.548 -7.933 1.00 0.00 C ATOM 741 O TRP A 46 11.321 -7.647 -6.730 1.00 0.00 O ATOM 742 CB TRP A 46 10.239 -5.370 -8.828 1.00 0.00 C ATOM 743 CG TRP A 46 11.104 -4.660 -7.825 1.00 0.00 C ATOM 744 CD1 TRP A 46 10.768 -4.298 -6.549 1.00 0.00 C ATOM 745 CD2 TRP A 46 12.452 -4.222 -8.023 1.00 0.00 C ATOM 746 NE1 TRP A 46 11.833 -3.674 -5.941 1.00 0.00 N ATOM 747 CE2 TRP A 46 12.876 -3.612 -6.827 1.00 0.00 C ATOM 748 CE3 TRP A 46 13.344 -4.289 -9.098 1.00 0.00 C ATOM 749 CZ2 TRP A 46 14.152 -3.078 -6.677 1.00 0.00 C ATOM 750 CZ3 TRP A 46 14.610 -3.756 -8.946 1.00 0.00 C ATOM 751 CH2 TRP A 46 15.002 -3.158 -7.745 1.00 0.00 C ATOM 0 H TRP A 46 9.204 -6.872 -6.418 1.00 0.00 H new ATOM 0 HA TRP A 46 9.427 -7.321 -9.268 1.00 0.00 H new ATOM 0 HB2 TRP A 46 10.765 -5.412 -9.782 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.333 -4.787 -8.990 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.808 -4.476 -6.087 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.844 -3.316 -4.986 1.00 0.00 H new ATOM 0 HE3 TRP A 46 13.049 -4.749 -10.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 14.460 -2.617 -5.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 15.308 -3.802 -9.769 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.998 -2.750 -7.659 1.00 0.00 H new ATOM 762 N SER A 47 11.852 -8.085 -8.878 1.00 0.00 N ATOM 763 CA SER A 47 13.161 -8.678 -8.588 1.00 0.00 C ATOM 764 C SER A 47 14.010 -8.801 -9.865 1.00 0.00 C ATOM 765 O SER A 47 15.062 -8.174 -9.959 1.00 0.00 O ATOM 766 CB SER A 47 13.040 -10.045 -7.890 1.00 0.00 C ATOM 767 OG SER A 47 12.492 -9.927 -6.592 1.00 0.00 O ATOM 0 H SER A 47 11.589 -8.123 -9.863 1.00 0.00 H new ATOM 0 HA SER A 47 13.665 -8.001 -7.898 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.413 -10.705 -8.490 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.024 -10.509 -7.828 1.00 0.00 H new ATOM 0 HG SER A 47 12.355 -8.980 -6.379 1.00 0.00 H new ATOM 877 N LYS A 55 0.775 -6.029 -9.787 1.00 0.00 N ATOM 878 CA LYS A 55 0.498 -5.353 -8.521 1.00 0.00 C ATOM 879 C LYS A 55 1.645 -4.429 -8.102 1.00 0.00 C ATOM 880 O LYS A 55 2.637 -4.858 -7.510 1.00 0.00 O ATOM 881 CB LYS A 55 0.168 -6.363 -7.412 1.00 0.00 C ATOM 882 CG LYS A 55 -1.325 -6.615 -7.243 1.00 0.00 C ATOM 883 CD LYS A 55 -1.968 -7.207 -8.490 1.00 0.00 C ATOM 884 CE LYS A 55 -3.487 -7.187 -8.389 1.00 0.00 C ATOM 885 NZ LYS A 55 -3.977 -7.915 -7.190 1.00 0.00 N ATOM 0 HA LYS A 55 -0.380 -4.726 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.665 -7.308 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.576 -6.001 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.482 -7.291 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.821 -5.677 -6.994 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.652 -6.643 -9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.624 -8.232 -8.628 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.834 -6.154 -8.352 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.915 -7.636 -9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.607 -8.688 -7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.168 -8.308 -6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.500 -7.259 -6.575 1.00 0.00 H new ATOM 899 N GLY A 56 1.485 -3.154 -8.422 1.00 0.00 N ATOM 900 CA GLY A 56 2.465 -2.148 -8.069 1.00 0.00 C ATOM 901 C GLY A 56 1.894 -0.763 -8.264 1.00 0.00 C ATOM 902 O GLY A 56 1.514 -0.402 -9.378 1.00 0.00 O ATOM 0 H GLY A 56 0.677 -2.793 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.772 -2.279 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.357 -2.270 -8.683 1.00 0.00 H new ATOM 906 N ILE A 57 1.810 0.009 -7.193 1.00 0.00 N ATOM 907 CA ILE A 57 1.152 1.305 -7.255 1.00 0.00 C ATOM 908 C ILE A 57 1.837 2.322 -6.344 1.00 0.00 C ATOM 909 O ILE A 57 2.326 1.983 -5.261 1.00 0.00 O ATOM 910 CB ILE A 57 -0.350 1.180 -6.888 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.087 2.497 -7.149 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.519 0.747 -5.437 1.00 0.00 C ATOM 913 CD1 ILE A 57 -2.587 2.399 -6.964 1.00 0.00 C ATOM 0 H ILE A 57 2.186 -0.236 -6.277 1.00 0.00 H new ATOM 0 HA ILE A 57 1.231 1.663 -8.281 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.790 0.413 -7.525 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.696 3.262 -6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.875 2.827 -8.166 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.580 0.666 -5.203 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -0.040 -0.221 -5.288 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.058 1.485 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.043 3.369 -7.165 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.991 1.658 -7.654 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.808 2.100 -5.940 1.00 0.00 H new ATOM 925 N THR A 58 1.882 3.565 -6.799 1.00 0.00 N ATOM 926 CA THR A 58 2.513 4.637 -6.053 1.00 0.00 C ATOM 927 C THR A 58 1.495 5.372 -5.173 1.00 0.00 C ATOM 928 O THR A 58 0.334 5.561 -5.558 1.00 0.00 O ATOM 929 CB THR A 58 3.172 5.647 -7.014 1.00 0.00 C ATOM 930 OG1 THR A 58 3.803 4.954 -8.102 1.00 0.00 O ATOM 931 CG2 THR A 58 4.206 6.493 -6.288 1.00 0.00 C ATOM 0 H THR A 58 1.483 3.856 -7.692 1.00 0.00 H new ATOM 0 HA THR A 58 3.274 4.189 -5.414 1.00 0.00 H new ATOM 0 HB THR A 58 2.392 6.302 -7.401 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.375 4.241 -7.748 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.656 7.197 -6.988 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.724 7.043 -5.480 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.980 5.846 -5.875 1.00 0.00 H new ATOM 939 N LEU A 59 1.934 5.767 -3.990 1.00 0.00 N ATOM 940 CA LEU A 59 1.119 6.553 -3.082 1.00 0.00 C ATOM 941 C LEU A 59 1.756 7.923 -2.874 1.00 0.00 C ATOM 942 O LEU A 59 2.982 8.040 -2.794 1.00 0.00 O ATOM 943 CB LEU A 59 0.969 5.839 -1.734 1.00 0.00 C ATOM 944 CG LEU A 59 0.377 4.427 -1.797 1.00 0.00 C ATOM 945 CD1 LEU A 59 0.272 3.834 -0.401 1.00 0.00 C ATOM 946 CD2 LEU A 59 -0.988 4.442 -2.465 1.00 0.00 C ATOM 0 H LEU A 59 2.865 5.552 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 59 0.129 6.676 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.950 5.782 -1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.339 6.450 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 59 1.044 3.805 -2.394 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.150 2.831 -0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.264 3.783 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.373 4.462 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.388 3.429 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.664 5.081 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.892 4.828 -3.480 1.00 0.00 H new ATOM 958 N SER A 60 0.930 8.955 -2.807 1.00 0.00 N ATOM 959 CA SER A 60 1.420 10.304 -2.610 1.00 0.00 C ATOM 960 C SER A 60 1.739 10.531 -1.134 1.00 0.00 C ATOM 961 O SER A 60 1.287 9.773 -0.274 1.00 0.00 O ATOM 962 CB SER A 60 0.380 11.314 -3.102 1.00 0.00 C ATOM 963 OG SER A 60 0.962 12.585 -3.340 1.00 0.00 O ATOM 0 H SER A 60 -0.084 8.881 -2.887 1.00 0.00 H new ATOM 0 HA SER A 60 2.335 10.443 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.081 10.946 -4.019 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.415 11.409 -2.362 1.00 0.00 H new ATOM 0 HG SER A 60 1.180 13.010 -2.484 1.00 0.00 H new ATOM 969 N ASN A 61 2.510 11.576 -0.853 1.00 0.00 N ATOM 970 CA ASN A 61 2.959 11.876 0.508 1.00 0.00 C ATOM 971 C ASN A 61 1.764 12.039 1.449 1.00 0.00 C ATOM 972 O ASN A 61 1.733 11.466 2.539 1.00 0.00 O ATOM 973 CB ASN A 61 3.822 13.148 0.495 1.00 0.00 C ATOM 974 CG ASN A 61 4.592 13.383 1.787 1.00 0.00 C ATOM 975 OD1 ASN A 61 4.124 13.077 2.885 1.00 0.00 O ATOM 976 ND2 ASN A 61 5.792 13.932 1.660 1.00 0.00 N ATOM 0 H ASN A 61 2.841 12.237 -1.555 1.00 0.00 H new ATOM 0 HA ASN A 61 3.560 11.044 0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.529 13.087 -0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.181 14.009 0.304 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.360 14.114 2.488 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.148 14.172 0.735 1.00 0.00 H new ATOM 983 N GLU A 62 0.769 12.796 1.001 1.00 0.00 N ATOM 984 CA GLU A 62 -0.431 13.049 1.795 1.00 0.00 C ATOM 985 C GLU A 62 -1.189 11.750 2.053 1.00 0.00 C ATOM 986 O GLU A 62 -1.603 11.471 3.178 1.00 0.00 O ATOM 987 CB GLU A 62 -1.361 14.041 1.085 1.00 0.00 C ATOM 988 CG GLU A 62 -0.644 15.196 0.402 1.00 0.00 C ATOM 989 CD GLU A 62 -0.265 14.873 -1.032 1.00 0.00 C ATOM 990 OE1 GLU A 62 0.742 14.168 -1.249 1.00 0.00 O ATOM 991 OE2 GLU A 62 -0.985 15.315 -1.949 1.00 0.00 O ATOM 0 H GLU A 62 0.769 13.248 0.087 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.111 13.478 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.947 13.502 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.065 14.445 1.813 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.285 16.078 0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.255 15.446 0.965 1.00 0.00 H new ATOM 998 N GLU A 63 -1.356 10.955 1.002 1.00 0.00 N ATOM 999 CA GLU A 63 -2.082 9.692 1.096 1.00 0.00 C ATOM 1000 C GLU A 63 -1.360 8.736 2.040 1.00 0.00 C ATOM 1001 O GLU A 63 -1.984 8.023 2.830 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.207 9.055 -0.289 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.784 9.983 -1.347 1.00 0.00 C ATOM 1004 CD GLU A 63 -2.800 9.347 -2.722 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -1.727 8.891 -3.182 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -3.882 9.281 -3.343 1.00 0.00 O ATOM 0 H GLU A 63 -0.997 11.164 0.070 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.079 9.892 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.222 8.719 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.838 8.169 -0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.799 10.263 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.198 10.901 -1.381 1.00 0.00 H new ATOM 1013 N PHE A 64 -0.037 8.744 1.954 1.00 0.00 N ATOM 1014 CA PHE A 64 0.800 7.880 2.771 1.00 0.00 C ATOM 1015 C PHE A 64 0.650 8.234 4.249 1.00 0.00 C ATOM 1016 O PHE A 64 0.369 7.368 5.076 1.00 0.00 O ATOM 1017 CB PHE A 64 2.259 8.013 2.332 1.00 0.00 C ATOM 1018 CG PHE A 64 3.039 6.736 2.424 1.00 0.00 C ATOM 1019 CD1 PHE A 64 2.744 5.670 1.590 1.00 0.00 C ATOM 1020 CD2 PHE A 64 4.079 6.607 3.328 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.473 4.498 1.657 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.809 5.437 3.402 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.507 4.382 2.565 1.00 0.00 C ATOM 0 H PHE A 64 0.484 9.348 1.318 1.00 0.00 H new ATOM 0 HA PHE A 64 0.483 6.846 2.636 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.287 8.372 1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.746 8.770 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.935 5.756 0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.322 7.431 3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.235 3.674 1.000 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.616 5.348 4.114 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.078 3.467 2.620 1.00 0.00 H new ATOM 1033 N GLN A 65 0.819 9.512 4.573 1.00 0.00 N ATOM 1034 CA GLN A 65 0.638 9.992 5.941 1.00 0.00 C ATOM 1035 C GLN A 65 -0.770 9.691 6.452 1.00 0.00 C ATOM 1036 O GLN A 65 -0.963 9.391 7.635 1.00 0.00 O ATOM 1037 CB GLN A 65 0.917 11.493 6.022 1.00 0.00 C ATOM 1038 CG GLN A 65 2.308 11.816 6.540 1.00 0.00 C ATOM 1039 CD GLN A 65 2.463 11.495 8.018 1.00 0.00 C ATOM 1040 OE1 GLN A 65 1.515 11.607 8.794 1.00 0.00 O ATOM 1041 NE2 GLN A 65 3.653 11.083 8.414 1.00 0.00 N ATOM 0 H GLN A 65 1.082 10.237 3.905 1.00 0.00 H new ATOM 0 HA GLN A 65 1.350 9.464 6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.794 11.933 5.032 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.177 11.959 6.672 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.046 11.252 5.969 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.518 12.873 6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.415 11.003 7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.810 10.845 9.393 1.00 0.00 H new ATOM 1050 N THR A 66 -1.743 9.761 5.555 1.00 0.00 N ATOM 1051 CA THR A 66 -3.129 9.468 5.891 1.00 0.00 C ATOM 1052 C THR A 66 -3.277 8.039 6.421 1.00 0.00 C ATOM 1053 O THR A 66 -3.848 7.817 7.494 1.00 0.00 O ATOM 1054 CB THR A 66 -4.043 9.675 4.664 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.014 11.054 4.268 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.479 9.257 4.957 1.00 0.00 C ATOM 0 H THR A 66 -1.596 10.021 4.580 1.00 0.00 H new ATOM 0 HA THR A 66 -3.434 10.159 6.677 1.00 0.00 H new ATOM 0 HB THR A 66 -3.668 9.047 3.856 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.243 11.210 3.683 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.093 9.417 4.070 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.502 8.202 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.870 9.853 5.782 1.00 0.00 H new ATOM 1064 N MET A 67 -2.735 7.072 5.687 1.00 0.00 N ATOM 1065 CA MET A 67 -2.840 5.675 6.089 1.00 0.00 C ATOM 1066 C MET A 67 -1.976 5.402 7.322 1.00 0.00 C ATOM 1067 O MET A 67 -2.239 4.465 8.082 1.00 0.00 O ATOM 1068 CB MET A 67 -2.486 4.725 4.932 1.00 0.00 C ATOM 1069 CG MET A 67 -1.023 4.722 4.506 1.00 0.00 C ATOM 1070 SD MET A 67 0.039 3.763 5.607 1.00 0.00 S ATOM 1071 CE MET A 67 1.584 3.836 4.705 1.00 0.00 C ATOM 0 H MET A 67 -2.223 7.228 4.819 1.00 0.00 H new ATOM 0 HA MET A 67 -3.879 5.480 6.355 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.764 3.711 5.220 1.00 0.00 H new ATOM 0 HB3 MET A 67 -3.097 4.990 4.069 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.947 4.319 3.496 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.661 5.749 4.467 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.941 2.824 4.513 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.428 4.352 3.758 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.324 4.376 5.295 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.941 6.220 7.518 1.00 0.00 N ATOM 1082 CA VAL A 68 -0.105 6.104 8.706 1.00 0.00 C ATOM 1083 C VAL A 68 -0.955 6.251 9.959 1.00 0.00 C ATOM 1084 O VAL A 68 -1.000 5.345 10.779 1.00 0.00 O ATOM 1085 CB VAL A 68 1.044 7.136 8.733 1.00 0.00 C ATOM 1086 CG1 VAL A 68 1.803 7.077 10.052 1.00 0.00 C ATOM 1087 CG2 VAL A 68 1.993 6.893 7.579 1.00 0.00 C ATOM 0 H VAL A 68 -0.666 6.962 6.874 1.00 0.00 H new ATOM 0 HA VAL A 68 0.351 5.114 8.676 1.00 0.00 H new ATOM 0 HB VAL A 68 0.607 8.130 8.634 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.606 7.814 10.043 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.121 7.293 10.874 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.226 6.081 10.184 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.798 7.627 7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.413 5.890 7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.452 6.987 6.637 1.00 0.00 H new ATOM 1097 N ASP A 69 -1.660 7.365 10.077 1.00 0.00 N ATOM 1098 CA ASP A 69 -2.505 7.606 11.242 1.00 0.00 C ATOM 1099 C ASP A 69 -3.608 6.552 11.347 1.00 0.00 C ATOM 1100 O ASP A 69 -3.834 5.971 12.415 1.00 0.00 O ATOM 1101 CB ASP A 69 -3.119 9.006 11.168 1.00 0.00 C ATOM 1102 CG ASP A 69 -3.971 9.329 12.379 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -3.419 9.828 13.383 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -5.196 9.088 12.331 1.00 0.00 O ATOM 0 H ASP A 69 -1.666 8.115 9.386 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.882 7.537 12.134 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.322 9.745 11.080 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -3.728 9.085 10.267 1.00 0.00 H new ATOM 1109 N ALA A 70 -4.260 6.284 10.219 1.00 0.00 N ATOM 1110 CA ALA A 70 -5.371 5.341 10.163 1.00 0.00 C ATOM 1111 C ALA A 70 -4.998 3.976 10.740 1.00 0.00 C ATOM 1112 O ALA A 70 -5.648 3.490 11.664 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.853 5.192 8.734 1.00 0.00 C ATOM 0 H ALA A 70 -4.034 6.713 9.322 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.175 5.744 10.779 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.683 4.486 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.185 6.160 8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.038 4.823 8.112 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.946 3.363 10.205 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.536 2.041 10.665 1.00 0.00 C ATOM 1121 C PHE A 71 -2.658 2.144 11.914 1.00 0.00 C ATOM 1122 O PHE A 71 -2.215 1.143 12.456 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.794 1.273 9.567 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.553 1.135 8.271 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.752 0.430 8.199 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -3.053 1.705 7.113 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -5.424 0.304 7.001 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -3.722 1.577 5.913 1.00 0.00 C ATOM 1129 CZ PHE A 71 -4.907 0.878 5.858 1.00 0.00 C ATOM 0 H PHE A 71 -3.368 3.755 9.461 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.442 1.490 10.917 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.848 1.776 9.366 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.553 0.277 9.939 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -5.160 -0.023 9.091 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.126 2.258 7.149 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.354 -0.243 6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.317 2.025 5.018 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.432 0.779 4.919 1.00 0.00 H new ATOM 1139 N LYS A 72 -2.386 3.362 12.363 1.00 0.00 N ATOM 1140 CA LYS A 72 -1.700 3.564 13.636 1.00 0.00 C ATOM 1141 C LYS A 72 -2.693 3.348 14.763 1.00 0.00 C ATOM 1142 O LYS A 72 -2.332 3.026 15.892 1.00 0.00 O ATOM 1143 CB LYS A 72 -1.102 4.970 13.711 1.00 0.00 C ATOM 1144 CG LYS A 72 -0.618 5.374 15.096 1.00 0.00 C ATOM 1145 CD LYS A 72 -0.208 6.836 15.133 1.00 0.00 C ATOM 1146 CE LYS A 72 -1.205 7.707 14.392 1.00 0.00 C ATOM 1147 NZ LYS A 72 -0.964 9.159 14.592 1.00 0.00 N ATOM 0 H LYS A 72 -2.627 4.221 11.870 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.881 2.851 13.726 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.266 5.034 13.014 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.851 5.688 13.377 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.408 5.197 15.826 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.228 4.750 15.384 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.131 7.168 16.168 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.780 6.950 14.687 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.158 7.479 13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.213 7.462 14.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.713 9.704 14.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.968 9.375 15.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.041 9.417 14.187 1.00 0.00 H new ATOM 1161 N GLY A 73 -3.953 3.542 14.424 1.00 0.00 N ATOM 1162 CA GLY A 73 -5.030 3.276 15.358 1.00 0.00 C ATOM 1163 C GLY A 73 -5.852 2.073 14.945 1.00 0.00 C ATOM 1164 O GLY A 73 -6.987 1.899 15.395 1.00 0.00 O ATOM 0 H GLY A 73 -4.256 3.882 13.511 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.615 3.108 16.352 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.676 4.151 15.426 1.00 0.00 H new ATOM 1168 N ASN A 74 -5.275 1.234 14.094 1.00 0.00 N ATOM 1169 CA ASN A 74 -5.961 0.055 13.583 1.00 0.00 C ATOM 1170 C ASN A 74 -4.944 -1.049 13.323 1.00 0.00 C ATOM 1171 O ASN A 74 -3.992 -0.850 12.567 1.00 0.00 O ATOM 1172 CB ASN A 74 -6.726 0.408 12.297 1.00 0.00 C ATOM 1173 CG ASN A 74 -7.578 -0.733 11.754 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -7.221 -1.904 11.848 1.00 0.00 O ATOM 1175 ND2 ASN A 74 -8.725 -0.393 11.185 1.00 0.00 N ATOM 0 H ASN A 74 -4.325 1.350 13.741 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.681 -0.298 14.321 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.368 1.267 12.492 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.011 0.711 11.532 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.341 -1.114 10.809 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.992 0.589 11.123 1.00 0.00 H new ATOM 1182 N LEU A 75 -5.150 -2.199 13.967 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.243 -3.346 13.869 1.00 0.00 C ATOM 1184 C LEU A 75 -2.961 -3.102 14.669 1.00 0.00 C ATOM 1185 O LEU A 75 -2.740 -3.743 15.699 1.00 0.00 O ATOM 1186 CB LEU A 75 -3.922 -3.671 12.400 1.00 0.00 C ATOM 1187 CG LEU A 75 -2.979 -4.856 12.175 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -3.574 -6.132 12.750 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -2.680 -5.023 10.692 1.00 0.00 C ATOM 0 H LEU A 75 -5.953 -2.363 14.574 1.00 0.00 H new ATOM 0 HA LEU A 75 -4.748 -4.210 14.301 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.858 -3.870 11.878 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.482 -2.787 11.939 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.042 -4.654 12.694 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.888 -6.962 12.580 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.735 -6.008 13.821 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.526 -6.342 12.262 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.008 -5.870 10.549 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.609 -5.202 10.151 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.208 -4.117 10.312 1.00 0.00 H new ATOM 1201 N GLU A 76 -2.146 -2.154 14.205 1.00 0.00 N ATOM 1202 CA GLU A 76 -0.876 -1.800 14.848 1.00 0.00 C ATOM 1203 C GLU A 76 0.097 -2.977 14.875 1.00 0.00 C ATOM 1204 O GLU A 76 0.917 -3.150 13.974 1.00 0.00 O ATOM 1205 CB GLU A 76 -1.098 -1.300 16.279 1.00 0.00 C ATOM 1206 CG GLU A 76 -1.926 -0.035 16.385 1.00 0.00 C ATOM 1207 CD GLU A 76 -2.174 0.355 17.825 1.00 0.00 C ATOM 1208 OE1 GLU A 76 -1.243 0.873 18.477 1.00 0.00 O ATOM 1209 OE2 GLU A 76 -3.288 0.116 18.324 1.00 0.00 O ATOM 0 H GLU A 76 -2.348 -1.606 13.368 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.440 -1.000 14.249 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.587 -2.087 16.853 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.127 -1.123 16.743 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.414 0.779 15.871 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.880 -0.182 15.879 1.00 0.00 H new ATOM 1451 N THR B 8 -15.283 -15.557 -6.522 1.00 0.00 N ATOM 1452 CA THR B 8 -15.689 -14.185 -6.725 1.00 0.00 C ATOM 1453 C THR B 8 -15.048 -13.301 -5.665 1.00 0.00 C ATOM 1454 O THR B 8 -14.557 -13.803 -4.651 1.00 0.00 O ATOM 1455 CB THR B 8 -17.228 -14.050 -6.682 1.00 0.00 C ATOM 1456 OG1 THR B 8 -17.627 -12.737 -7.096 1.00 0.00 O ATOM 1457 CG2 THR B 8 -17.769 -14.333 -5.287 1.00 0.00 C ATOM 0 HA THR B 8 -15.354 -13.864 -7.711 1.00 0.00 H new ATOM 0 HB THR B 8 -17.643 -14.787 -7.369 1.00 0.00 H new ATOM 0 HG1 THR B 8 -18.604 -12.667 -7.065 1.00 0.00 H new ATOM 0 HG21 THR B 8 -18.854 -14.230 -5.290 1.00 0.00 H new ATOM 0 HG22 THR B 8 -17.502 -15.348 -4.992 1.00 0.00 H new ATOM 0 HG23 THR B 8 -17.339 -13.624 -4.579 1.00 0.00 H new ATOM 1465 N PHE B 9 -15.013 -12.002 -5.913 1.00 0.00 N ATOM 1466 CA PHE B 9 -14.444 -11.067 -4.959 1.00 0.00 C ATOM 1467 C PHE B 9 -15.542 -10.239 -4.303 1.00 0.00 C ATOM 1468 O PHE B 9 -16.419 -9.694 -4.977 1.00 0.00 O ATOM 1469 CB PHE B 9 -13.396 -10.162 -5.629 1.00 0.00 C ATOM 1470 CG PHE B 9 -13.868 -9.466 -6.879 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -13.706 -10.061 -8.121 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -14.461 -8.215 -6.814 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -14.126 -9.424 -9.272 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -14.886 -7.573 -7.961 1.00 0.00 C ATOM 1475 CZ PHE B 9 -14.718 -8.179 -9.192 1.00 0.00 C ATOM 0 H PHE B 9 -15.372 -11.572 -6.766 1.00 0.00 H new ATOM 0 HA PHE B 9 -13.938 -11.640 -4.182 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -13.074 -9.409 -4.910 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -12.520 -10.763 -5.874 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -13.245 -11.035 -8.189 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -14.592 -7.736 -5.855 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -13.992 -9.899 -10.233 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -15.349 -6.599 -7.896 1.00 0.00 H new ATOM 0 HZ PHE B 9 -15.049 -7.679 -10.090 1.00 0.00 H new ATOM 1485 N GLU B 10 -15.506 -10.184 -2.984 1.00 0.00 N ATOM 1486 CA GLU B 10 -16.485 -9.436 -2.216 1.00 0.00 C ATOM 1487 C GLU B 10 -15.840 -8.246 -1.525 1.00 0.00 C ATOM 1488 O GLU B 10 -14.889 -8.404 -0.762 1.00 0.00 O ATOM 1489 CB GLU B 10 -17.138 -10.342 -1.172 1.00 0.00 C ATOM 1490 CG GLU B 10 -18.238 -11.227 -1.734 1.00 0.00 C ATOM 1491 CD GLU B 10 -19.486 -10.438 -2.059 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -19.535 -9.800 -3.128 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -20.419 -10.438 -1.233 1.00 0.00 O ATOM 0 H GLU B 10 -14.801 -10.654 -2.417 1.00 0.00 H new ATOM 0 HA GLU B 10 -17.245 -9.068 -2.905 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -16.372 -10.972 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -17.552 -9.724 -0.376 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -17.879 -11.725 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -18.480 -12.008 -1.013 1.00 0.00 H new ATOM 1500 N ILE B 11 -16.341 -7.054 -1.802 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.883 -5.874 -1.086 1.00 0.00 C ATOM 1502 C ILE B 11 -16.765 -5.672 0.135 1.00 0.00 C ATOM 1503 O ILE B 11 -17.805 -5.017 0.060 1.00 0.00 O ATOM 1504 CB ILE B 11 -15.931 -4.595 -1.955 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -15.315 -4.845 -3.338 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -15.212 -3.448 -1.248 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -13.859 -5.258 -3.303 1.00 0.00 C ATOM 0 H ILE B 11 -17.056 -6.878 -2.508 1.00 0.00 H new ATOM 0 HA ILE B 11 -14.843 -6.040 -0.805 1.00 0.00 H new ATOM 0 HB ILE B 11 -16.976 -4.319 -2.098 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -15.889 -5.621 -3.844 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -15.410 -3.938 -3.935 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -15.253 -2.554 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -15.698 -3.248 -0.293 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -14.171 -3.722 -1.075 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -13.501 -5.415 -4.320 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -13.270 -4.474 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -13.757 -6.183 -2.736 1.00 0.00 H new ATOM 1519 N GLU B 12 -16.370 -6.262 1.254 1.00 0.00 N ATOM 1520 CA GLU B 12 -17.193 -6.213 2.450 1.00 0.00 C ATOM 1521 C GLU B 12 -16.951 -4.931 3.235 1.00 0.00 C ATOM 1522 O GLU B 12 -17.886 -4.356 3.798 1.00 0.00 O ATOM 1523 CB GLU B 12 -16.954 -7.441 3.334 1.00 0.00 C ATOM 1524 CG GLU B 12 -15.510 -7.641 3.763 1.00 0.00 C ATOM 1525 CD GLU B 12 -15.346 -8.823 4.699 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -15.145 -9.953 4.210 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -15.431 -8.629 5.931 1.00 0.00 O ATOM 0 H GLU B 12 -15.494 -6.775 1.357 1.00 0.00 H new ATOM 0 HA GLU B 12 -18.235 -6.221 2.132 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -17.576 -7.357 4.225 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -17.286 -8.329 2.796 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -14.888 -7.791 2.880 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -15.151 -6.737 4.256 1.00 0.00 H new ATOM 1534 N GLU B 13 -15.710 -4.466 3.245 1.00 0.00 N ATOM 1535 CA GLU B 13 -15.357 -3.286 4.012 1.00 0.00 C ATOM 1536 C GLU B 13 -14.080 -2.648 3.489 1.00 0.00 C ATOM 1537 O GLU B 13 -13.148 -3.338 3.077 1.00 0.00 O ATOM 1538 CB GLU B 13 -15.180 -3.649 5.487 1.00 0.00 C ATOM 1539 CG GLU B 13 -14.761 -2.474 6.354 1.00 0.00 C ATOM 1540 CD GLU B 13 -14.525 -2.874 7.790 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -13.424 -3.374 8.091 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -15.443 -2.706 8.618 1.00 0.00 O ATOM 0 H GLU B 13 -14.936 -4.887 2.732 1.00 0.00 H new ATOM 0 HA GLU B 13 -16.169 -2.567 3.907 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -16.117 -4.056 5.868 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -14.432 -4.438 5.572 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -13.851 -2.033 5.948 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -15.532 -1.705 6.316 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.048 -1.327 3.503 1.00 0.00 N ATOM 1550 CA HIS B 14 -12.838 -0.591 3.185 1.00 0.00 C ATOM 1551 C HIS B 14 -12.257 -0.003 4.469 1.00 0.00 C ATOM 1552 O HIS B 14 -13.006 0.404 5.357 1.00 0.00 O ATOM 1553 CB HIS B 14 -13.114 0.506 2.137 1.00 0.00 C ATOM 1554 CG HIS B 14 -13.982 1.646 2.604 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -13.768 2.946 2.210 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -15.068 1.682 3.418 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -14.675 3.728 2.759 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -15.477 2.988 3.498 1.00 0.00 N ATOM 0 H HIS B 14 -14.850 -0.740 3.732 1.00 0.00 H new ATOM 0 HA HIS B 14 -12.108 -1.271 2.746 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -12.160 0.913 1.802 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -13.586 0.045 1.269 1.00 0.00 H new ATOM 0 HD1 HIS B 14 -13.022 3.257 1.588 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -15.525 0.837 3.912 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -14.749 4.797 2.626 1.00 0.00 H new ATOM 1567 N LEU B 15 -10.933 0.019 4.583 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.293 0.516 5.798 1.00 0.00 C ATOM 1569 C LEU B 15 -10.434 2.028 5.867 1.00 0.00 C ATOM 1570 O LEU B 15 -10.925 2.580 6.858 1.00 0.00 O ATOM 1571 CB LEU B 15 -8.804 0.138 5.867 1.00 0.00 C ATOM 1572 CG LEU B 15 -8.470 -1.361 5.924 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -9.384 -2.118 6.871 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -8.508 -1.976 4.552 1.00 0.00 C ATOM 0 H LEU B 15 -10.288 -0.297 3.859 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.793 0.049 6.646 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.305 0.564 4.997 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.373 0.615 6.747 1.00 0.00 H new ATOM 0 HG LEU B 15 -7.456 -1.443 6.315 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -9.109 -3.173 6.877 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.283 -1.711 7.877 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.417 -2.015 6.540 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.268 -3.037 4.622 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.505 -1.857 4.127 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -7.779 -1.481 3.911 1.00 0.00 H new ATOM 1586 N LEU B 16 -10.001 2.689 4.803 1.00 0.00 N ATOM 1587 CA LEU B 16 -10.125 4.132 4.680 1.00 0.00 C ATOM 1588 C LEU B 16 -9.904 4.548 3.239 1.00 0.00 C ATOM 1589 O LEU B 16 -9.289 3.816 2.460 1.00 0.00 O ATOM 1590 CB LEU B 16 -9.111 4.867 5.563 1.00 0.00 C ATOM 1591 CG LEU B 16 -7.651 4.770 5.109 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -6.873 5.989 5.577 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -7.006 3.501 5.639 1.00 0.00 C ATOM 0 H LEU B 16 -9.555 2.240 4.003 1.00 0.00 H new ATOM 0 HA LEU B 16 -11.130 4.401 5.006 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -9.390 5.920 5.608 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -9.185 4.473 6.577 1.00 0.00 H new ATOM 0 HG LEU B 16 -7.632 4.736 4.020 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -5.837 5.908 5.248 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -7.319 6.889 5.154 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -6.905 6.045 6.665 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -5.970 3.453 5.305 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -7.036 3.505 6.729 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -7.549 2.633 5.265 1.00 0.00 H new ATOM 1605 N THR B 17 -10.392 5.724 2.899 1.00 0.00 N ATOM 1606 CA THR B 17 -10.169 6.292 1.591 1.00 0.00 C ATOM 1607 C THR B 17 -9.045 7.318 1.668 1.00 0.00 C ATOM 1608 O THR B 17 -9.119 8.266 2.452 1.00 0.00 O ATOM 1609 CB THR B 17 -11.449 6.958 1.055 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.535 6.022 1.110 1.00 0.00 O ATOM 1611 CG2 THR B 17 -11.262 7.437 -0.375 1.00 0.00 C ATOM 0 H THR B 17 -10.951 6.308 3.521 1.00 0.00 H new ATOM 0 HA THR B 17 -9.890 5.491 0.907 1.00 0.00 H new ATOM 0 HB THR B 17 -11.671 7.824 1.679 1.00 0.00 H new ATOM 0 HG1 THR B 17 -12.227 5.145 0.800 1.00 0.00 H new ATOM 0 HG21 THR B 17 -12.183 7.903 -0.726 1.00 0.00 H new ATOM 0 HG22 THR B 17 -10.451 8.164 -0.412 1.00 0.00 H new ATOM 0 HG23 THR B 17 -11.018 6.588 -1.014 1.00 0.00 H new ATOM 1619 N LEU B 18 -7.995 7.101 0.887 1.00 0.00 N ATOM 1620 CA LEU B 18 -6.868 8.022 0.864 1.00 0.00 C ATOM 1621 C LEU B 18 -7.289 9.337 0.222 1.00 0.00 C ATOM 1622 O LEU B 18 -7.296 10.381 0.877 1.00 0.00 O ATOM 1623 CB LEU B 18 -5.685 7.415 0.103 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.187 6.067 0.635 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.036 5.551 -0.213 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -4.761 6.190 2.090 1.00 0.00 C ATOM 0 H LEU B 18 -7.901 6.299 0.264 1.00 0.00 H new ATOM 0 HA LEU B 18 -6.551 8.210 1.890 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -5.971 7.292 -0.942 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -4.857 8.124 0.125 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.007 5.352 0.576 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -3.696 4.593 0.180 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.371 5.423 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.215 6.267 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.411 5.223 2.450 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -3.957 6.921 2.173 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.610 6.515 2.691 1.00 0.00 H new ATOM 1638 N SER B 19 -7.651 9.265 -1.057 1.00 0.00 N ATOM 1639 CA SER B 19 -8.170 10.411 -1.795 1.00 0.00 C ATOM 1640 C SER B 19 -8.462 10.007 -3.232 1.00 0.00 C ATOM 1641 O SER B 19 -8.068 8.923 -3.668 1.00 0.00 O ATOM 1642 CB SER B 19 -7.182 11.586 -1.772 1.00 0.00 C ATOM 1643 OG SER B 19 -5.875 11.182 -2.151 1.00 0.00 O ATOM 0 H SER B 19 -7.592 8.410 -1.610 1.00 0.00 H new ATOM 0 HA SER B 19 -9.091 10.737 -1.312 1.00 0.00 H new ATOM 0 HB2 SER B 19 -7.531 12.368 -2.447 1.00 0.00 H new ATOM 0 HB3 SER B 19 -7.153 12.018 -0.772 1.00 0.00 H new ATOM 0 HG SER B 19 -5.274 11.955 -2.127 1.00 0.00 H new ATOM 1649 N GLU B 20 -9.164 10.853 -3.961 1.00 0.00 N ATOM 1650 CA GLU B 20 -9.388 10.604 -5.367 1.00 0.00 C ATOM 1651 C GLU B 20 -8.622 11.616 -6.200 1.00 0.00 C ATOM 1652 O GLU B 20 -8.559 12.798 -5.866 1.00 0.00 O ATOM 1653 CB GLU B 20 -10.879 10.624 -5.714 1.00 0.00 C ATOM 1654 CG GLU B 20 -11.553 11.972 -5.545 1.00 0.00 C ATOM 1655 CD GLU B 20 -13.006 11.930 -5.961 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -13.278 11.864 -7.177 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -13.883 11.939 -5.074 1.00 0.00 O ATOM 0 H GLU B 20 -9.585 11.711 -3.605 1.00 0.00 H new ATOM 0 HA GLU B 20 -9.019 9.605 -5.599 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -11.002 10.299 -6.747 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -11.393 9.895 -5.088 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -11.482 12.286 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -11.026 12.719 -6.139 1.00 0.00 H new ATOM 1664 N ASN B 21 -8.031 11.135 -7.273 1.00 0.00 N ATOM 1665 CA ASN B 21 -7.217 11.965 -8.141 1.00 0.00 C ATOM 1666 C ASN B 21 -7.920 12.154 -9.474 1.00 0.00 C ATOM 1667 O ASN B 21 -8.686 11.285 -9.907 1.00 0.00 O ATOM 1668 CB ASN B 21 -5.834 11.334 -8.350 1.00 0.00 C ATOM 1669 CG ASN B 21 -4.982 11.327 -7.088 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -4.230 12.267 -6.829 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -5.086 10.263 -6.299 1.00 0.00 N ATOM 0 H ASN B 21 -8.100 10.161 -7.569 1.00 0.00 H new ATOM 0 HA ASN B 21 -7.078 12.938 -7.670 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -5.958 10.310 -8.703 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -5.307 11.879 -9.133 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.531 10.205 -5.445 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -5.720 9.504 -6.547 1.00 0.00 H new ATOM 1678 N GLU B 22 -7.687 13.312 -10.094 1.00 0.00 N ATOM 1679 CA GLU B 22 -8.282 13.653 -11.390 1.00 0.00 C ATOM 1680 C GLU B 22 -9.801 13.777 -11.294 1.00 0.00 C ATOM 1681 O GLU B 22 -10.476 13.927 -12.311 1.00 0.00 O ATOM 1682 CB GLU B 22 -7.920 12.603 -12.447 1.00 0.00 C ATOM 1683 CG GLU B 22 -6.426 12.420 -12.649 1.00 0.00 C ATOM 1684 CD GLU B 22 -5.728 13.718 -12.977 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -5.961 14.264 -14.076 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -4.950 14.206 -12.133 1.00 0.00 O ATOM 0 H GLU B 22 -7.082 14.040 -9.714 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.874 14.619 -11.687 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.357 11.647 -12.159 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.373 12.887 -13.397 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.989 11.993 -11.746 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -6.255 11.705 -13.454 1.00 0.00 H new ATOM 1693 N LYS B 23 -10.315 13.750 -10.064 1.00 0.00 N ATOM 1694 CA LYS B 23 -11.752 13.711 -9.800 1.00 0.00 C ATOM 1695 C LYS B 23 -12.397 12.525 -10.517 1.00 0.00 C ATOM 1696 O LYS B 23 -12.745 12.600 -11.697 1.00 0.00 O ATOM 1697 CB LYS B 23 -12.437 15.025 -10.202 1.00 0.00 C ATOM 1698 CG LYS B 23 -13.879 15.116 -9.728 1.00 0.00 C ATOM 1699 CD LYS B 23 -13.959 15.078 -8.210 1.00 0.00 C ATOM 1700 CE LYS B 23 -15.383 14.888 -7.720 1.00 0.00 C ATOM 1701 NZ LYS B 23 -16.294 15.963 -8.194 1.00 0.00 N ATOM 0 H LYS B 23 -9.743 13.755 -9.220 1.00 0.00 H new ATOM 0 HA LYS B 23 -11.888 13.585 -8.726 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -11.873 15.862 -9.792 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -12.411 15.124 -11.287 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -14.329 16.038 -10.096 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -14.456 14.291 -10.147 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -13.335 14.267 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -13.556 16.005 -7.802 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -15.756 13.923 -8.062 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -15.389 14.865 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -17.218 15.866 -7.726 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -15.885 16.891 -7.964 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -16.417 15.885 -9.224 1.00 0.00 H new ATOM 1715 N GLY B 24 -12.555 11.431 -9.796 1.00 0.00 N ATOM 1716 CA GLY B 24 -13.067 10.220 -10.393 1.00 0.00 C ATOM 1717 C GLY B 24 -12.227 9.013 -10.039 1.00 0.00 C ATOM 1718 O GLY B 24 -12.756 7.982 -9.623 1.00 0.00 O ATOM 0 H GLY B 24 -12.337 11.359 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -14.092 10.058 -10.061 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -13.097 10.335 -11.476 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.913 9.142 -10.189 1.00 0.00 N ATOM 1723 CA TRP B 25 -10.005 8.050 -9.872 1.00 0.00 C ATOM 1724 C TRP B 25 -9.731 8.014 -8.380 1.00 0.00 C ATOM 1725 O TRP B 25 -8.784 8.632 -7.897 1.00 0.00 O ATOM 1726 CB TRP B 25 -8.687 8.186 -10.634 1.00 0.00 C ATOM 1727 CG TRP B 25 -8.801 7.906 -12.101 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -9.231 8.762 -13.074 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -8.460 6.683 -12.762 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -9.183 8.141 -14.299 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -8.711 6.866 -14.133 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -7.965 5.449 -12.324 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -8.486 5.861 -15.071 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -7.740 4.454 -13.256 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -7.998 4.665 -14.615 1.00 0.00 C ATOM 0 H TRP B 25 -10.456 9.989 -10.527 1.00 0.00 H new ATOM 0 HA TRP B 25 -10.483 7.119 -10.177 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -8.302 9.196 -10.496 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -7.956 7.504 -10.200 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -9.560 9.777 -12.906 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -9.455 8.561 -15.188 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -7.763 5.278 -11.277 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -8.689 6.019 -16.120 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -7.359 3.498 -12.930 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -7.808 3.868 -15.319 1.00 0.00 H new ATOM 1746 N THR B 26 -10.568 7.312 -7.648 1.00 0.00 N ATOM 1747 CA THR B 26 -10.418 7.248 -6.208 1.00 0.00 C ATOM 1748 C THR B 26 -9.460 6.129 -5.835 1.00 0.00 C ATOM 1749 O THR B 26 -9.514 5.053 -6.412 1.00 0.00 O ATOM 1750 CB THR B 26 -11.779 7.018 -5.527 1.00 0.00 C ATOM 1751 OG1 THR B 26 -12.733 7.964 -6.030 1.00 0.00 O ATOM 1752 CG2 THR B 26 -11.661 7.168 -4.018 1.00 0.00 C ATOM 0 H THR B 26 -11.355 6.780 -8.021 1.00 0.00 H new ATOM 0 HA THR B 26 -10.014 8.200 -5.862 1.00 0.00 H new ATOM 0 HB THR B 26 -12.111 6.004 -5.749 1.00 0.00 H new ATOM 0 HG1 THR B 26 -13.600 7.816 -5.597 1.00 0.00 H new ATOM 0 HG21 THR B 26 -12.635 7.001 -3.558 1.00 0.00 H new ATOM 0 HG22 THR B 26 -10.949 6.437 -3.634 1.00 0.00 H new ATOM 0 HG23 THR B 26 -11.314 8.173 -3.778 1.00 0.00 H new ATOM 1760 N LYS B 27 -8.582 6.381 -4.884 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.614 5.380 -4.473 1.00 0.00 C ATOM 1762 C LYS B 27 -7.673 5.199 -2.967 1.00 0.00 C ATOM 1763 O LYS B 27 -7.605 6.177 -2.211 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.208 5.792 -4.910 1.00 0.00 C ATOM 1765 CG LYS B 27 -5.157 4.709 -4.723 1.00 0.00 C ATOM 1766 CD LYS B 27 -3.792 5.183 -5.188 1.00 0.00 C ATOM 1767 CE LYS B 27 -3.323 6.377 -4.382 1.00 0.00 C ATOM 1768 NZ LYS B 27 -2.072 6.974 -4.922 1.00 0.00 N ATOM 0 H LYS B 27 -8.518 7.267 -4.382 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.856 4.431 -4.951 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.235 6.079 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.908 6.675 -4.346 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.107 4.424 -3.672 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.445 3.818 -5.281 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.071 4.371 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.837 5.449 -6.244 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.107 7.134 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -3.159 6.072 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -1.674 7.636 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -1.383 6.220 -5.116 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -2.283 7.485 -5.803 1.00 0.00 H new ATOM 1782 N GLU B 28 -7.816 3.958 -2.530 1.00 0.00 N ATOM 1783 CA GLU B 28 -7.926 3.672 -1.113 1.00 0.00 C ATOM 1784 C GLU B 28 -7.513 2.237 -0.813 1.00 0.00 C ATOM 1785 O GLU B 28 -7.092 1.495 -1.708 1.00 0.00 O ATOM 1786 CB GLU B 28 -9.359 3.912 -0.636 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.375 2.954 -1.229 1.00 0.00 C ATOM 1788 CD GLU B 28 -11.779 3.239 -0.748 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -11.953 3.546 0.450 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -12.714 3.155 -1.567 1.00 0.00 O ATOM 0 H GLU B 28 -7.858 3.138 -3.135 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.253 4.343 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -9.388 3.830 0.450 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -9.648 4.933 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.345 3.023 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.104 1.931 -0.966 1.00 0.00 H new ATOM 1797 N ILE B 29 -7.640 1.858 0.451 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.290 0.521 0.897 1.00 0.00 C ATOM 1799 C ILE B 29 -8.519 -0.152 1.494 1.00 0.00 C ATOM 1800 O ILE B 29 -9.203 0.430 2.340 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.160 0.561 1.949 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -4.973 1.370 1.414 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -5.721 -0.851 2.317 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -3.858 1.557 2.418 1.00 0.00 C ATOM 0 H ILE B 29 -7.987 2.467 1.192 1.00 0.00 H new ATOM 0 HA ILE B 29 -6.935 -0.046 0.036 1.00 0.00 H new ATOM 0 HB ILE B 29 -6.538 1.046 2.849 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.574 0.871 0.531 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.328 2.349 1.093 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -4.924 -0.802 3.059 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -6.568 -1.400 2.729 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.356 -1.362 1.426 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.055 2.139 1.966 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.240 2.084 3.292 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.474 0.583 2.721 1.00 0.00 H new ATOM 1816 N ASN B 30 -8.804 -1.369 1.060 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.013 -2.062 1.491 1.00 0.00 C ATOM 1818 C ASN B 30 -9.747 -3.542 1.707 1.00 0.00 C ATOM 1819 O ASN B 30 -8.637 -4.015 1.482 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.154 -1.868 0.473 1.00 0.00 C ATOM 1821 CG ASN B 30 -10.975 -2.631 -0.840 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -11.950 -3.096 -1.426 1.00 0.00 O ATOM 1823 ND2 ASN B 30 -9.750 -2.743 -1.330 1.00 0.00 N ATOM 0 H ASN B 30 -8.219 -1.898 0.413 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.321 -1.626 2.441 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -12.091 -2.180 0.934 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.247 -0.805 0.250 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -9.597 -3.225 -2.216 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -8.959 -2.347 -0.822 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.758 -4.256 2.175 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.653 -5.690 2.386 1.00 0.00 C ATOM 1832 C ARG B 31 -11.533 -6.435 1.392 1.00 0.00 C ATOM 1833 O ARG B 31 -12.755 -6.276 1.384 1.00 0.00 O ATOM 1834 CB ARG B 31 -11.044 -6.062 3.819 1.00 0.00 C ATOM 1835 CG ARG B 31 -10.042 -5.611 4.872 1.00 0.00 C ATOM 1836 CD ARG B 31 -10.335 -6.232 6.232 1.00 0.00 C ATOM 1837 NE ARG B 31 -11.573 -5.728 6.829 1.00 0.00 N ATOM 1838 CZ ARG B 31 -12.651 -6.477 7.060 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -12.688 -7.746 6.667 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -13.695 -5.949 7.678 1.00 0.00 N ATOM 0 H ARG B 31 -11.667 -3.862 2.417 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.615 -5.982 2.228 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -12.015 -5.622 4.045 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -11.161 -7.144 3.883 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -9.035 -5.884 4.557 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -10.066 -4.524 4.955 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.403 -7.315 6.125 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -9.503 -6.029 6.906 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.613 -4.741 7.084 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -11.887 -8.154 6.184 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -13.517 -8.312 6.848 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -13.672 -4.973 7.975 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -14.523 -6.517 7.857 1.00 0.00 H new ATOM 1854 N VAL B 32 -10.901 -7.243 0.556 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.611 -8.000 -0.462 1.00 0.00 C ATOM 1856 C VAL B 32 -11.661 -9.479 -0.094 1.00 0.00 C ATOM 1857 O VAL B 32 -10.622 -10.115 0.110 1.00 0.00 O ATOM 1858 CB VAL B 32 -10.942 -7.849 -1.844 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -11.774 -8.524 -2.922 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -10.718 -6.381 -2.176 1.00 0.00 C ATOM 0 H VAL B 32 -9.892 -7.392 0.563 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.624 -7.600 -0.514 1.00 0.00 H new ATOM 0 HB VAL B 32 -9.970 -8.342 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -11.283 -8.405 -3.888 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -11.873 -9.585 -2.694 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -12.763 -8.067 -2.958 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -10.245 -6.297 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -11.676 -5.861 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -10.072 -5.932 -1.422 1.00 0.00 H new ATOM 1870 N SER B 33 -12.865 -10.012 0.012 1.00 0.00 N ATOM 1871 CA SER B 33 -13.063 -11.419 0.305 1.00 0.00 C ATOM 1872 C SER B 33 -12.983 -12.229 -0.986 1.00 0.00 C ATOM 1873 O SER B 33 -13.855 -12.121 -1.850 1.00 0.00 O ATOM 1874 CB SER B 33 -14.428 -11.608 0.968 1.00 0.00 C ATOM 1875 OG SER B 33 -14.847 -10.407 1.598 1.00 0.00 O ATOM 0 H SER B 33 -13.730 -9.483 -0.102 1.00 0.00 H new ATOM 0 HA SER B 33 -12.285 -11.768 0.984 1.00 0.00 H new ATOM 0 HB2 SER B 33 -15.163 -11.909 0.221 1.00 0.00 H new ATOM 0 HB3 SER B 33 -14.373 -12.411 1.703 1.00 0.00 H new ATOM 0 HG SER B 33 -15.018 -10.578 2.548 1.00 0.00 H new ATOM 1881 N PHE B 34 -11.924 -13.009 -1.135 1.00 0.00 N ATOM 1882 CA PHE B 34 -11.734 -13.810 -2.337 1.00 0.00 C ATOM 1883 C PHE B 34 -12.298 -15.211 -2.150 1.00 0.00 C ATOM 1884 O PHE B 34 -12.130 -15.813 -1.086 1.00 0.00 O ATOM 1885 CB PHE B 34 -10.251 -13.891 -2.705 1.00 0.00 C ATOM 1886 CG PHE B 34 -9.652 -12.573 -3.112 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -9.847 -12.078 -4.390 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -8.891 -11.835 -2.220 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -9.297 -10.871 -4.773 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -8.336 -10.626 -2.597 1.00 0.00 C ATOM 1891 CZ PHE B 34 -8.540 -10.142 -3.876 1.00 0.00 C ATOM 0 H PHE B 34 -11.183 -13.105 -0.441 1.00 0.00 H new ATOM 0 HA PHE B 34 -12.272 -13.323 -3.150 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -9.696 -14.284 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -10.127 -14.603 -3.521 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -10.437 -12.643 -5.096 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -8.730 -12.208 -1.219 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -9.458 -10.497 -5.773 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.744 -10.060 -1.893 1.00 0.00 H new ATOM 0 HZ PHE B 34 -8.109 -9.197 -4.173 1.00 0.00 H new ATOM 1901 N ASN B 35 -12.988 -15.704 -3.185 1.00 0.00 N ATOM 1902 CA ASN B 35 -13.540 -17.066 -3.212 1.00 0.00 C ATOM 1903 C ASN B 35 -14.739 -17.195 -2.277 1.00 0.00 C ATOM 1904 O ASN B 35 -15.872 -17.351 -2.725 1.00 0.00 O ATOM 1905 CB ASN B 35 -12.467 -18.105 -2.846 1.00 0.00 C ATOM 1906 CG ASN B 35 -12.991 -19.533 -2.857 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -13.510 -20.027 -1.854 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -12.838 -20.215 -3.982 1.00 0.00 N ATOM 0 H ASN B 35 -13.181 -15.168 -4.031 1.00 0.00 H new ATOM 0 HA ASN B 35 -13.877 -17.261 -4.230 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -11.637 -18.024 -3.547 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -12.072 -17.877 -1.856 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.154 -21.183 -4.039 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -12.404 -19.772 -4.792 1.00 0.00 H new ATOM 1915 N GLY B 36 -14.471 -17.115 -0.988 1.00 0.00 N ATOM 1916 CA GLY B 36 -15.497 -17.281 0.015 1.00 0.00 C ATOM 1917 C GLY B 36 -14.881 -17.455 1.381 1.00 0.00 C ATOM 1918 O GLY B 36 -15.239 -18.365 2.127 1.00 0.00 O ATOM 0 H GLY B 36 -13.541 -16.934 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -16.157 -16.413 0.015 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -16.112 -18.148 -0.226 1.00 0.00 H new ATOM 1922 N ALA B 37 -13.947 -16.572 1.694 1.00 0.00 N ATOM 1923 CA ALA B 37 -13.171 -16.651 2.920 1.00 0.00 C ATOM 1924 C ALA B 37 -12.968 -15.248 3.489 1.00 0.00 C ATOM 1925 O ALA B 37 -13.370 -14.271 2.849 1.00 0.00 O ATOM 1926 CB ALA B 37 -11.834 -17.320 2.615 1.00 0.00 C ATOM 0 H ALA B 37 -13.705 -15.777 1.102 1.00 0.00 H new ATOM 0 HA ALA B 37 -13.699 -17.245 3.666 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -11.243 -17.385 3.528 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -12.009 -18.322 2.225 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -11.293 -16.731 1.874 1.00 0.00 H new ATOM 1932 N PRO B 38 -12.391 -15.121 4.709 1.00 0.00 N ATOM 1933 CA PRO B 38 -12.015 -13.827 5.289 1.00 0.00 C ATOM 1934 C PRO B 38 -11.341 -12.903 4.274 1.00 0.00 C ATOM 1935 O PRO B 38 -10.565 -13.347 3.423 1.00 0.00 O ATOM 1936 CB PRO B 38 -11.035 -14.195 6.416 1.00 0.00 C ATOM 1937 CG PRO B 38 -10.895 -15.686 6.378 1.00 0.00 C ATOM 1938 CD PRO B 38 -12.103 -16.206 5.653 1.00 0.00 C ATOM 0 HA PRO B 38 -12.889 -13.277 5.636 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -10.070 -13.710 6.267 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -11.412 -13.864 7.384 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.979 -15.977 5.865 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -10.840 -16.097 7.386 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -11.897 -17.146 5.142 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -12.937 -16.388 6.331 1.00 0.00 H new ATOM 1946 N ALA B 39 -11.631 -11.617 4.383 1.00 0.00 N ATOM 1947 CA ALA B 39 -11.184 -10.645 3.399 1.00 0.00 C ATOM 1948 C ALA B 39 -9.711 -10.298 3.575 1.00 0.00 C ATOM 1949 O ALA B 39 -9.221 -10.173 4.698 1.00 0.00 O ATOM 1950 CB ALA B 39 -12.029 -9.387 3.490 1.00 0.00 C ATOM 0 H ALA B 39 -12.177 -11.220 5.148 1.00 0.00 H new ATOM 0 HA ALA B 39 -11.303 -11.094 2.413 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.687 -8.664 2.749 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.073 -9.635 3.299 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.935 -8.957 4.487 1.00 0.00 H new ATOM 1956 N LYS B 40 -9.014 -10.144 2.457 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.617 -9.742 2.471 1.00 0.00 C ATOM 1958 C LYS B 40 -7.495 -8.262 2.145 1.00 0.00 C ATOM 1959 O LYS B 40 -8.360 -7.690 1.486 1.00 0.00 O ATOM 1960 CB LYS B 40 -6.797 -10.563 1.470 1.00 0.00 C ATOM 1961 CG LYS B 40 -6.707 -12.040 1.822 1.00 0.00 C ATOM 1962 CD LYS B 40 -5.836 -12.821 0.842 1.00 0.00 C ATOM 1963 CE LYS B 40 -4.358 -12.455 0.950 1.00 0.00 C ATOM 1964 NZ LYS B 40 -4.012 -11.205 0.216 1.00 0.00 N ATOM 0 H LYS B 40 -9.398 -10.293 1.524 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.223 -9.926 3.471 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -7.240 -10.461 0.480 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.790 -10.150 1.413 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.302 -12.147 2.828 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.709 -12.469 1.835 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -5.956 -13.889 1.026 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.180 -12.632 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -4.095 -12.337 2.001 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -3.757 -13.277 0.561 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -3.186 -11.377 -0.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -4.819 -10.912 -0.371 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -3.789 -10.452 0.898 1.00 0.00 H new ATOM 1978 N PHE B 41 -6.417 -7.651 2.604 1.00 0.00 N ATOM 1979 CA PHE B 41 -6.194 -6.231 2.391 1.00 0.00 C ATOM 1980 C PHE B 41 -5.772 -5.968 0.945 1.00 0.00 C ATOM 1981 O PHE B 41 -4.823 -6.571 0.441 1.00 0.00 O ATOM 1982 CB PHE B 41 -5.132 -5.727 3.366 1.00 0.00 C ATOM 1983 CG PHE B 41 -5.480 -5.987 4.806 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -6.318 -5.125 5.496 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -4.971 -7.096 5.466 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -6.641 -5.365 6.820 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -5.290 -7.339 6.789 1.00 0.00 C ATOM 1988 CZ PHE B 41 -6.126 -6.472 7.466 1.00 0.00 C ATOM 0 H PHE B 41 -5.678 -8.119 3.129 1.00 0.00 H new ATOM 0 HA PHE B 41 -7.123 -5.691 2.574 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -4.180 -6.206 3.136 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -4.993 -4.656 3.220 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -6.723 -4.258 4.995 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -4.318 -7.777 4.940 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -7.295 -4.687 7.348 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -4.886 -8.205 7.292 1.00 0.00 H new ATOM 0 HZ PHE B 41 -6.377 -6.660 8.500 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.494 -5.089 0.281 1.00 0.00 N ATOM 1999 CA ASP B 42 -6.240 -4.771 -1.116 1.00 0.00 C ATOM 2000 C ASP B 42 -6.198 -3.258 -1.305 1.00 0.00 C ATOM 2001 O ASP B 42 -7.050 -2.535 -0.783 1.00 0.00 O ATOM 2002 CB ASP B 42 -7.339 -5.396 -1.990 1.00 0.00 C ATOM 2003 CG ASP B 42 -7.165 -5.142 -3.480 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -7.292 -3.982 -3.909 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -6.955 -6.115 -4.242 1.00 0.00 O ATOM 0 H ASP B 42 -7.273 -4.574 0.690 1.00 0.00 H new ATOM 0 HA ASP B 42 -5.276 -5.181 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -7.360 -6.472 -1.815 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -8.306 -5.003 -1.676 1.00 0.00 H new ATOM 2010 N ILE B 43 -5.189 -2.783 -2.014 1.00 0.00 N ATOM 2011 CA ILE B 43 -5.076 -1.370 -2.336 1.00 0.00 C ATOM 2012 C ILE B 43 -5.357 -1.172 -3.818 1.00 0.00 C ATOM 2013 O ILE B 43 -4.604 -1.657 -4.656 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.667 -0.825 -2.013 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -3.300 -1.133 -0.559 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -3.605 0.676 -2.278 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -1.901 -0.699 -0.180 1.00 0.00 C ATOM 0 H ILE B 43 -4.431 -3.359 -2.380 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.800 -0.825 -1.730 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.943 -1.318 -2.662 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -4.015 -0.639 0.099 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -3.397 -2.205 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -2.606 1.046 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.829 0.870 -3.327 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -4.336 1.187 -1.651 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -1.713 -0.950 0.864 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -1.177 -1.212 -0.813 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -1.804 0.378 -0.318 1.00 0.00 H new ATOM 2029 N ARG B 44 -6.432 -0.477 -4.146 1.00 0.00 N ATOM 2030 CA ARG B 44 -6.821 -0.344 -5.543 1.00 0.00 C ATOM 2031 C ARG B 44 -7.411 1.022 -5.838 1.00 0.00 C ATOM 2032 O ARG B 44 -7.699 1.804 -4.929 1.00 0.00 O ATOM 2033 CB ARG B 44 -7.824 -1.432 -5.931 1.00 0.00 C ATOM 2034 CG ARG B 44 -9.122 -1.388 -5.139 1.00 0.00 C ATOM 2035 CD ARG B 44 -10.069 -2.500 -5.562 1.00 0.00 C ATOM 2036 NE ARG B 44 -9.473 -3.823 -5.383 1.00 0.00 N ATOM 2037 CZ ARG B 44 -9.994 -4.956 -5.853 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -11.145 -4.944 -6.521 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -9.366 -6.107 -5.650 1.00 0.00 N ATOM 0 H ARG B 44 -7.042 -0.003 -3.480 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.915 -0.458 -6.139 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -8.055 -1.338 -6.992 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -7.358 -2.408 -5.792 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.904 -1.479 -4.075 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -9.605 -0.422 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -10.988 -2.435 -4.980 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -10.344 -2.364 -6.608 1.00 0.00 H new ATOM 0 HE ARG B 44 -8.598 -3.883 -4.862 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -11.635 -4.063 -6.677 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -11.537 -5.816 -6.877 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -8.486 -6.124 -5.135 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -9.763 -6.975 -6.009 1.00 0.00 H new ATOM 2053 N ALA B 45 -7.583 1.295 -7.120 1.00 0.00 N ATOM 2054 CA ALA B 45 -8.192 2.531 -7.566 1.00 0.00 C ATOM 2055 C ALA B 45 -9.544 2.263 -8.215 1.00 0.00 C ATOM 2056 O ALA B 45 -9.769 1.201 -8.797 1.00 0.00 O ATOM 2057 CB ALA B 45 -7.268 3.250 -8.537 1.00 0.00 C ATOM 0 H ALA B 45 -7.305 0.668 -7.875 1.00 0.00 H new ATOM 0 HA ALA B 45 -8.353 3.170 -6.698 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -7.736 4.178 -8.866 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -6.324 3.476 -8.041 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -7.081 2.612 -9.401 1.00 0.00 H new ATOM 2063 N TRP B 46 -10.440 3.229 -8.107 1.00 0.00 N ATOM 2064 CA TRP B 46 -11.754 3.134 -8.714 1.00 0.00 C ATOM 2065 C TRP B 46 -11.823 4.065 -9.913 1.00 0.00 C ATOM 2066 O TRP B 46 -11.549 5.262 -9.792 1.00 0.00 O ATOM 2067 CB TRP B 46 -12.849 3.522 -7.713 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.808 2.766 -6.416 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -12.508 3.277 -5.186 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -13.083 1.374 -6.214 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -12.590 2.295 -4.232 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -12.935 1.114 -4.837 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -13.438 0.321 -7.061 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -13.132 -0.151 -4.290 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -13.634 -0.936 -6.517 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -13.480 -1.163 -5.143 1.00 0.00 C ATOM 0 H TRP B 46 -10.277 4.098 -7.598 1.00 0.00 H new ATOM 0 HA TRP B 46 -11.916 2.102 -9.027 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.767 4.588 -7.500 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -13.821 3.364 -8.179 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -12.244 4.306 -4.992 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -12.422 2.423 -3.234 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -13.557 0.485 -8.122 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -13.014 -0.327 -3.231 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -13.910 -1.756 -7.163 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -13.639 -2.156 -4.749 1.00 0.00 H new ATOM 2087 N SER B 47 -12.178 3.516 -11.063 1.00 0.00 N ATOM 2088 CA SER B 47 -12.267 4.296 -12.284 1.00 0.00 C ATOM 2089 C SER B 47 -13.649 4.929 -12.425 1.00 0.00 C ATOM 2090 O SER B 47 -14.657 4.310 -12.072 1.00 0.00 O ATOM 2091 CB SER B 47 -11.978 3.403 -13.492 1.00 0.00 C ATOM 2092 OG SER B 47 -10.741 2.729 -13.344 1.00 0.00 O ATOM 0 H SER B 47 -12.410 2.529 -11.175 1.00 0.00 H new ATOM 0 HA SER B 47 -11.527 5.095 -12.238 1.00 0.00 H new ATOM 0 HB2 SER B 47 -12.780 2.675 -13.610 1.00 0.00 H new ATOM 0 HB3 SER B 47 -11.960 4.007 -14.399 1.00 0.00 H new ATOM 0 HG SER B 47 -10.007 3.375 -13.407 1.00 0.00 H new ATOM 2202 N LYS B 55 -6.721 -1.158 -11.270 1.00 0.00 N ATOM 2203 CA LYS B 55 -5.667 -1.995 -10.694 1.00 0.00 C ATOM 2204 C LYS B 55 -5.220 -1.504 -9.315 1.00 0.00 C ATOM 2205 O LYS B 55 -5.867 -0.655 -8.695 1.00 0.00 O ATOM 2206 CB LYS B 55 -4.469 -2.073 -11.647 1.00 0.00 C ATOM 2207 CG LYS B 55 -4.802 -2.706 -12.988 1.00 0.00 C ATOM 2208 CD LYS B 55 -3.631 -2.625 -13.945 1.00 0.00 C ATOM 2209 CE LYS B 55 -3.942 -3.304 -15.270 1.00 0.00 C ATOM 2210 NZ LYS B 55 -4.140 -4.773 -15.116 1.00 0.00 N ATOM 0 HA LYS B 55 -6.086 -2.992 -10.559 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -4.082 -1.068 -11.815 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -3.673 -2.646 -11.171 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -5.081 -3.749 -12.840 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -5.665 -2.204 -13.424 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -3.377 -1.580 -14.122 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.757 -3.093 -13.492 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -4.840 -2.861 -15.701 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -3.128 -3.120 -15.971 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -4.147 -5.223 -16.054 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -3.365 -5.170 -14.547 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -5.047 -4.953 -14.639 1.00 0.00 H new ATOM 2224 N GLY B 56 -4.121 -2.075 -8.838 1.00 0.00 N ATOM 2225 CA GLY B 56 -3.597 -1.743 -7.532 1.00 0.00 C ATOM 2226 C GLY B 56 -2.623 -2.802 -7.056 1.00 0.00 C ATOM 2227 O GLY B 56 -1.926 -3.409 -7.873 1.00 0.00 O ATOM 0 H GLY B 56 -3.577 -2.774 -9.345 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -3.098 -0.775 -7.571 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -4.417 -1.650 -6.819 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.579 -3.040 -5.751 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.708 -4.063 -5.193 1.00 0.00 C ATOM 2233 C ILE B 57 -2.376 -4.779 -4.018 1.00 0.00 C ATOM 2234 O ILE B 57 -3.042 -4.158 -3.189 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.339 -3.484 -4.757 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.586 -4.610 -4.279 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.515 -2.430 -3.668 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.009 -4.167 -4.023 1.00 0.00 C ATOM 0 H ILE B 57 -3.137 -2.538 -5.060 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.527 -4.788 -5.986 1.00 0.00 H new ATOM 0 HB ILE B 57 0.120 -3.000 -5.619 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.179 -5.037 -3.363 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.592 -5.404 -5.026 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.461 -2.039 -3.379 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -1.135 -1.617 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.997 -2.880 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.601 -5.019 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.437 -3.767 -4.942 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.017 -3.395 -3.254 1.00 0.00 H new ATOM 2250 N THR B 58 -2.207 -6.092 -3.968 1.00 0.00 N ATOM 2251 CA THR B 58 -2.783 -6.907 -2.914 1.00 0.00 C ATOM 2252 C THR B 58 -1.778 -7.154 -1.792 1.00 0.00 C ATOM 2253 O THR B 58 -0.586 -7.366 -2.042 1.00 0.00 O ATOM 2254 CB THR B 58 -3.261 -8.258 -3.471 1.00 0.00 C ATOM 2255 OG1 THR B 58 -2.602 -8.532 -4.719 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.766 -8.263 -3.667 1.00 0.00 C ATOM 0 H THR B 58 -1.668 -6.619 -4.655 1.00 0.00 H new ATOM 0 HA THR B 58 -3.634 -6.359 -2.510 1.00 0.00 H new ATOM 0 HB THR B 58 -3.009 -9.036 -2.750 1.00 0.00 H new ATOM 0 HG1 THR B 58 -2.897 -9.402 -5.061 1.00 0.00 H new ATOM 0 HG21 THR B 58 -5.078 -9.230 -4.062 1.00 0.00 H new ATOM 0 HG22 THR B 58 -5.258 -8.085 -2.711 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.044 -7.477 -4.369 1.00 0.00 H new ATOM 2264 N LEU B 59 -2.261 -7.121 -0.559 1.00 0.00 N ATOM 2265 CA LEU B 59 -1.416 -7.376 0.593 1.00 0.00 C ATOM 2266 C LEU B 59 -1.984 -8.518 1.426 1.00 0.00 C ATOM 2267 O LEU B 59 -3.197 -8.631 1.615 1.00 0.00 O ATOM 2268 CB LEU B 59 -1.279 -6.116 1.455 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.674 -4.904 0.741 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -0.564 -3.722 1.686 1.00 0.00 C ATOM 2271 CD2 LEU B 59 0.691 -5.242 0.171 1.00 0.00 C ATOM 0 H LEU B 59 -3.235 -6.920 -0.333 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.427 -7.659 0.233 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -2.265 -5.842 1.830 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -0.662 -6.353 2.322 1.00 0.00 H new ATOM 0 HG LEU B 59 -1.338 -4.633 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -0.132 -2.872 1.157 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -1.555 -3.455 2.052 1.00 0.00 H new ATOM 0 HD13 LEU B 59 0.074 -3.988 2.529 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.102 -4.367 -0.332 1.00 0.00 H new ATOM 0 HD22 LEU B 59 1.358 -5.543 0.979 1.00 0.00 H new ATOM 0 HD23 LEU B 59 0.595 -6.059 -0.544 1.00 0.00 H new ATOM 2283 N SER B 60 -1.112 -9.390 1.887 1.00 0.00 N ATOM 2284 CA SER B 60 -1.506 -10.465 2.777 1.00 0.00 C ATOM 2285 C SER B 60 -1.555 -9.963 4.215 1.00 0.00 C ATOM 2286 O SER B 60 -1.130 -8.841 4.496 1.00 0.00 O ATOM 2287 CB SER B 60 -0.525 -11.623 2.640 1.00 0.00 C ATOM 2288 OG SER B 60 -0.418 -12.023 1.284 1.00 0.00 O ATOM 0 H SER B 60 -0.118 -9.376 1.659 1.00 0.00 H new ATOM 0 HA SER B 60 -2.502 -10.815 2.506 1.00 0.00 H new ATOM 0 HB2 SER B 60 0.454 -11.325 3.016 1.00 0.00 H new ATOM 0 HB3 SER B 60 -0.858 -12.464 3.249 1.00 0.00 H new ATOM 0 HG SER B 60 0.144 -11.384 0.798 1.00 0.00 H new ATOM 2294 N ASN B 61 -2.068 -10.787 5.119 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.223 -10.395 6.519 1.00 0.00 C ATOM 2296 C ASN B 61 -0.881 -10.016 7.141 1.00 0.00 C ATOM 2297 O ASN B 61 -0.717 -8.906 7.651 1.00 0.00 O ATOM 2298 CB ASN B 61 -2.873 -11.526 7.322 1.00 0.00 C ATOM 2299 CG ASN B 61 -2.949 -11.223 8.811 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -2.032 -11.545 9.568 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -4.042 -10.610 9.243 1.00 0.00 N ATOM 0 H ASN B 61 -2.385 -11.734 4.910 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.871 -9.519 6.549 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -3.878 -11.705 6.940 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -2.306 -12.445 7.171 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -4.145 -10.389 10.233 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -4.780 -10.359 8.585 1.00 0.00 H new ATOM 2308 N GLU B 62 0.079 -10.931 7.074 1.00 0.00 N ATOM 2309 CA GLU B 62 1.392 -10.709 7.672 1.00 0.00 C ATOM 2310 C GLU B 62 2.127 -9.567 6.969 1.00 0.00 C ATOM 2311 O GLU B 62 2.849 -8.795 7.607 1.00 0.00 O ATOM 2312 CB GLU B 62 2.214 -12.000 7.624 1.00 0.00 C ATOM 2313 CG GLU B 62 3.551 -11.910 8.344 1.00 0.00 C ATOM 2314 CD GLU B 62 4.222 -13.260 8.488 1.00 0.00 C ATOM 2315 OE1 GLU B 62 4.583 -13.868 7.458 1.00 0.00 O ATOM 2316 OE2 GLU B 62 4.398 -13.721 9.634 1.00 0.00 O ATOM 0 H GLU B 62 -0.026 -11.834 6.612 1.00 0.00 H new ATOM 0 HA GLU B 62 1.255 -10.421 8.714 1.00 0.00 H new ATOM 0 HB2 GLU B 62 1.629 -12.807 8.065 1.00 0.00 H new ATOM 0 HB3 GLU B 62 2.391 -12.267 6.582 1.00 0.00 H new ATOM 0 HG2 GLU B 62 4.210 -11.236 7.797 1.00 0.00 H new ATOM 0 HG3 GLU B 62 3.400 -11.475 9.332 1.00 0.00 H new ATOM 2323 N GLU B 63 1.927 -9.452 5.658 1.00 0.00 N ATOM 2324 CA GLU B 63 2.529 -8.364 4.889 1.00 0.00 C ATOM 2325 C GLU B 63 1.998 -7.025 5.380 1.00 0.00 C ATOM 2326 O GLU B 63 2.762 -6.104 5.672 1.00 0.00 O ATOM 2327 CB GLU B 63 2.210 -8.495 3.400 1.00 0.00 C ATOM 2328 CG GLU B 63 2.513 -9.859 2.814 1.00 0.00 C ATOM 2329 CD GLU B 63 2.415 -9.860 1.305 1.00 0.00 C ATOM 2330 OE1 GLU B 63 1.299 -9.682 0.771 1.00 0.00 O ATOM 2331 OE2 GLU B 63 3.455 -10.011 0.643 1.00 0.00 O ATOM 0 H GLU B 63 1.356 -10.094 5.108 1.00 0.00 H new ATOM 0 HA GLU B 63 3.609 -8.420 5.029 1.00 0.00 H new ATOM 0 HB2 GLU B 63 1.154 -8.273 3.246 1.00 0.00 H new ATOM 0 HB3 GLU B 63 2.777 -7.743 2.852 1.00 0.00 H new ATOM 0 HG2 GLU B 63 3.515 -10.168 3.113 1.00 0.00 H new ATOM 0 HG3 GLU B 63 1.818 -10.592 3.223 1.00 0.00 H new ATOM 2338 N PHE B 64 0.676 -6.940 5.470 1.00 0.00 N ATOM 2339 CA PHE B 64 -0.001 -5.733 5.911 1.00 0.00 C ATOM 2340 C PHE B 64 0.445 -5.369 7.320 1.00 0.00 C ATOM 2341 O PHE B 64 0.788 -4.220 7.592 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.513 -5.951 5.868 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.316 -4.686 5.920 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.536 -3.951 4.766 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -2.865 -4.241 7.109 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -3.287 -2.796 4.798 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -3.615 -3.083 7.149 1.00 0.00 C ATOM 2348 CZ PHE B 64 -3.827 -2.362 5.991 1.00 0.00 C ATOM 0 H PHE B 64 0.046 -7.708 5.239 1.00 0.00 H new ATOM 0 HA PHE B 64 0.257 -4.910 5.245 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.765 -6.492 4.956 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.802 -6.586 6.705 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -2.114 -4.287 3.831 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -2.705 -4.806 8.016 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -3.452 -2.232 3.892 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -4.035 -2.742 8.084 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.416 -1.457 6.019 1.00 0.00 H new ATOM 2358 N GLN B 65 0.462 -6.367 8.200 1.00 0.00 N ATOM 2359 CA GLN B 65 0.915 -6.183 9.574 1.00 0.00 C ATOM 2360 C GLN B 65 2.307 -5.551 9.616 1.00 0.00 C ATOM 2361 O GLN B 65 2.546 -4.603 10.368 1.00 0.00 O ATOM 2362 CB GLN B 65 0.929 -7.529 10.312 1.00 0.00 C ATOM 2363 CG GLN B 65 1.652 -7.476 11.647 1.00 0.00 C ATOM 2364 CD GLN B 65 1.075 -6.428 12.572 1.00 0.00 C ATOM 2365 OE1 GLN B 65 -0.133 -6.208 12.609 1.00 0.00 O ATOM 2366 NE2 GLN B 65 1.942 -5.743 13.289 1.00 0.00 N ATOM 0 H GLN B 65 0.165 -7.318 7.982 1.00 0.00 H new ATOM 0 HA GLN B 65 0.218 -5.508 10.071 1.00 0.00 H new ATOM 0 HB2 GLN B 65 -0.098 -7.856 10.476 1.00 0.00 H new ATOM 0 HB3 GLN B 65 1.405 -8.278 9.679 1.00 0.00 H new ATOM 0 HG2 GLN B 65 1.595 -8.453 12.128 1.00 0.00 H new ATOM 0 HG3 GLN B 65 2.708 -7.266 11.477 1.00 0.00 H new ATOM 0 HE21 GLN B 65 2.937 -5.958 13.228 1.00 0.00 H new ATOM 0 HE22 GLN B 65 1.618 -4.997 13.905 1.00 0.00 H new ATOM 2375 N THR B 66 3.208 -6.073 8.796 1.00 0.00 N ATOM 2376 CA THR B 66 4.581 -5.593 8.754 1.00 0.00 C ATOM 2377 C THR B 66 4.636 -4.092 8.453 1.00 0.00 C ATOM 2378 O THR B 66 5.305 -3.333 9.161 1.00 0.00 O ATOM 2379 CB THR B 66 5.398 -6.370 7.699 1.00 0.00 C ATOM 2380 OG1 THR B 66 5.347 -7.780 7.979 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.851 -5.915 7.676 1.00 0.00 C ATOM 0 H THR B 66 3.010 -6.834 8.147 1.00 0.00 H new ATOM 0 HA THR B 66 5.019 -5.763 9.738 1.00 0.00 H new ATOM 0 HB THR B 66 4.957 -6.168 6.723 1.00 0.00 H new ATOM 0 HG1 THR B 66 4.456 -8.125 7.760 1.00 0.00 H new ATOM 0 HG21 THR B 66 7.398 -6.482 6.923 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.896 -4.853 7.435 1.00 0.00 H new ATOM 0 HG23 THR B 66 7.301 -6.084 8.654 1.00 0.00 H new ATOM 2389 N MET B 67 3.900 -3.661 7.433 1.00 0.00 N ATOM 2390 CA MET B 67 3.953 -2.267 7.010 1.00 0.00 C ATOM 2391 C MET B 67 3.280 -1.367 8.044 1.00 0.00 C ATOM 2392 O MET B 67 3.730 -0.245 8.275 1.00 0.00 O ATOM 2393 CB MET B 67 3.330 -2.082 5.610 1.00 0.00 C ATOM 2394 CG MET B 67 1.805 -2.059 5.564 1.00 0.00 C ATOM 2395 SD MET B 67 1.105 -0.440 5.965 1.00 0.00 S ATOM 2396 CE MET B 67 -0.643 -0.754 5.733 1.00 0.00 C ATOM 0 H MET B 67 3.267 -4.249 6.890 1.00 0.00 H new ATOM 0 HA MET B 67 5.000 -1.973 6.938 1.00 0.00 H new ATOM 0 HB2 MET B 67 3.702 -1.149 5.187 1.00 0.00 H new ATOM 0 HB3 MET B 67 3.683 -2.887 4.966 1.00 0.00 H new ATOM 0 HG2 MET B 67 1.473 -2.355 4.569 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.416 -2.799 6.263 1.00 0.00 H new ATOM 0 HE1 MET B 67 -0.986 -0.252 4.828 1.00 0.00 H new ATOM 0 HE2 MET B 67 -0.811 -1.827 5.638 1.00 0.00 H new ATOM 0 HE3 MET B 67 -1.198 -0.374 6.591 1.00 0.00 H new ATOM 2406 N VAL B 68 2.223 -1.866 8.684 1.00 0.00 N ATOM 2407 CA VAL B 68 1.506 -1.072 9.672 1.00 0.00 C ATOM 2408 C VAL B 68 2.444 -0.657 10.796 1.00 0.00 C ATOM 2409 O VAL B 68 2.769 0.520 10.924 1.00 0.00 O ATOM 2410 CB VAL B 68 0.289 -1.830 10.264 1.00 0.00 C ATOM 2411 CG1 VAL B 68 -0.349 -1.045 11.406 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.745 -2.102 9.185 1.00 0.00 C ATOM 0 H VAL B 68 1.851 -2.804 8.537 1.00 0.00 H new ATOM 0 HA VAL B 68 1.129 -0.187 9.159 1.00 0.00 H new ATOM 0 HB VAL B 68 0.651 -2.779 10.659 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -1.199 -1.602 11.800 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.384 -0.894 12.198 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.689 -0.077 11.037 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.592 -2.634 9.618 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.088 -1.157 8.763 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -0.298 -2.710 8.398 1.00 0.00 H new ATOM 2422 N ASP B 69 2.955 -1.628 11.536 1.00 0.00 N ATOM 2423 CA ASP B 69 3.740 -1.335 12.731 1.00 0.00 C ATOM 2424 C ASP B 69 4.985 -0.523 12.387 1.00 0.00 C ATOM 2425 O ASP B 69 5.371 0.386 13.133 1.00 0.00 O ATOM 2426 CB ASP B 69 4.124 -2.626 13.450 1.00 0.00 C ATOM 2427 CG ASP B 69 4.649 -2.371 14.849 1.00 0.00 C ATOM 2428 OD1 ASP B 69 4.012 -1.604 15.602 1.00 0.00 O ATOM 2429 OD2 ASP B 69 5.680 -2.969 15.221 1.00 0.00 O ATOM 0 H ASP B 69 2.843 -2.622 11.334 1.00 0.00 H new ATOM 0 HA ASP B 69 3.122 -0.735 13.400 1.00 0.00 H new ATOM 0 HB2 ASP B 69 3.255 -3.281 13.504 1.00 0.00 H new ATOM 0 HB3 ASP B 69 4.883 -3.151 12.870 1.00 0.00 H new ATOM 2434 N ALA B 70 5.591 -0.826 11.240 1.00 0.00 N ATOM 2435 CA ALA B 70 6.781 -0.121 10.796 1.00 0.00 C ATOM 2436 C ALA B 70 6.516 1.375 10.631 1.00 0.00 C ATOM 2437 O ALA B 70 7.209 2.201 11.217 1.00 0.00 O ATOM 2438 CB ALA B 70 7.295 -0.714 9.492 1.00 0.00 C ATOM 0 H ALA B 70 5.273 -1.557 10.604 1.00 0.00 H new ATOM 0 HA ALA B 70 7.544 -0.242 11.564 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.187 -0.174 9.173 1.00 0.00 H new ATOM 0 HB2 ALA B 70 7.541 -1.765 9.642 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.525 -0.628 8.725 1.00 0.00 H new ATOM 2444 N PHE B 71 5.489 1.721 9.860 1.00 0.00 N ATOM 2445 CA PHE B 71 5.219 3.120 9.541 1.00 0.00 C ATOM 2446 C PHE B 71 4.740 3.912 10.752 1.00 0.00 C ATOM 2447 O PHE B 71 5.114 5.074 10.920 1.00 0.00 O ATOM 2448 CB PHE B 71 4.196 3.235 8.410 1.00 0.00 C ATOM 2449 CG PHE B 71 4.731 2.811 7.075 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.919 3.336 6.596 1.00 0.00 C ATOM 2451 CD2 PHE B 71 4.048 1.895 6.296 1.00 0.00 C ATOM 2452 CE1 PHE B 71 6.413 2.956 5.368 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.536 1.510 5.066 1.00 0.00 C ATOM 2454 CZ PHE B 71 5.723 2.041 4.602 1.00 0.00 C ATOM 0 H PHE B 71 4.834 1.057 9.447 1.00 0.00 H new ATOM 0 HA PHE B 71 6.166 3.551 9.217 1.00 0.00 H new ATOM 0 HB2 PHE B 71 3.326 2.626 8.654 1.00 0.00 H new ATOM 0 HB3 PHE B 71 3.853 4.268 8.344 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.465 4.052 7.192 1.00 0.00 H new ATOM 0 HD2 PHE B 71 3.120 1.476 6.656 1.00 0.00 H new ATOM 0 HE1 PHE B 71 7.340 3.375 5.005 1.00 0.00 H new ATOM 0 HE2 PHE B 71 3.992 0.795 4.467 1.00 0.00 H new ATOM 0 HZ PHE B 71 6.110 1.740 3.640 1.00 0.00 H new ATOM 2464 N LYS B 72 3.928 3.295 11.603 1.00 0.00 N ATOM 2465 CA LYS B 72 3.359 4.006 12.751 1.00 0.00 C ATOM 2466 C LYS B 72 4.458 4.308 13.761 1.00 0.00 C ATOM 2467 O LYS B 72 4.361 5.252 14.539 1.00 0.00 O ATOM 2468 CB LYS B 72 2.246 3.196 13.425 1.00 0.00 C ATOM 2469 CG LYS B 72 1.379 2.393 12.464 1.00 0.00 C ATOM 2470 CD LYS B 72 0.971 3.190 11.229 1.00 0.00 C ATOM 2471 CE LYS B 72 0.415 2.273 10.146 1.00 0.00 C ATOM 2472 NZ LYS B 72 0.138 2.989 8.870 1.00 0.00 N ATOM 0 H LYS B 72 3.649 2.317 11.525 1.00 0.00 H new ATOM 0 HA LYS B 72 2.921 4.936 12.387 1.00 0.00 H new ATOM 0 HB2 LYS B 72 2.696 2.513 14.145 1.00 0.00 H new ATOM 0 HB3 LYS B 72 1.608 3.877 13.988 1.00 0.00 H new ATOM 0 HG2 LYS B 72 1.921 1.500 12.152 1.00 0.00 H new ATOM 0 HG3 LYS B 72 0.483 2.056 12.985 1.00 0.00 H new ATOM 0 HD2 LYS B 72 0.221 3.932 11.502 1.00 0.00 H new ATOM 0 HD3 LYS B 72 1.832 3.735 10.842 1.00 0.00 H new ATOM 0 HE2 LYS B 72 1.125 1.467 9.959 1.00 0.00 H new ATOM 0 HE3 LYS B 72 -0.504 1.810 10.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -0.075 2.297 8.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 -0.677 3.623 8.997 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 0.972 3.548 8.597 1.00 0.00 H new ATOM 2486 N GLY B 73 5.506 3.495 13.735 1.00 0.00 N ATOM 2487 CA GLY B 73 6.641 3.726 14.605 1.00 0.00 C ATOM 2488 C GLY B 73 7.870 4.209 13.852 1.00 0.00 C ATOM 2489 O GLY B 73 8.997 3.925 14.256 1.00 0.00 O ATOM 0 H GLY B 73 5.590 2.680 13.127 1.00 0.00 H new ATOM 0 HA2 GLY B 73 6.370 4.463 15.361 1.00 0.00 H new ATOM 0 HA3 GLY B 73 6.883 2.803 15.132 1.00 0.00 H new ATOM 2493 N ASN B 74 7.657 4.934 12.756 1.00 0.00 N ATOM 2494 CA ASN B 74 8.768 5.472 11.969 1.00 0.00 C ATOM 2495 C ASN B 74 8.368 6.764 11.266 1.00 0.00 C ATOM 2496 O ASN B 74 8.966 7.812 11.492 1.00 0.00 O ATOM 2497 CB ASN B 74 9.251 4.448 10.934 1.00 0.00 C ATOM 2498 CG ASN B 74 10.334 5.003 10.023 1.00 0.00 C ATOM 2499 OD1 ASN B 74 10.047 5.545 8.954 1.00 0.00 O ATOM 2500 ND2 ASN B 74 11.584 4.868 10.433 1.00 0.00 N ATOM 0 H ASN B 74 6.732 5.162 12.393 1.00 0.00 H new ATOM 0 HA ASN B 74 9.583 5.688 12.659 1.00 0.00 H new ATOM 0 HB2 ASN B 74 9.632 3.567 11.451 1.00 0.00 H new ATOM 0 HB3 ASN B 74 8.405 4.122 10.329 1.00 0.00 H new ATOM 0 HD21 ASN B 74 12.350 5.218 9.858 1.00 0.00 H new ATOM 0 HD22 ASN B 74 11.782 4.413 11.324 1.00 0.00 H new ATOM 2507 N LEU B 75 7.349 6.684 10.415 1.00 0.00 N ATOM 2508 CA LEU B 75 6.896 7.847 9.658 1.00 0.00 C ATOM 2509 C LEU B 75 6.050 8.761 10.543 1.00 0.00 C ATOM 2510 O LEU B 75 5.862 9.940 10.241 1.00 0.00 O ATOM 2511 CB LEU B 75 6.117 7.401 8.412 1.00 0.00 C ATOM 2512 CG LEU B 75 5.585 8.531 7.520 1.00 0.00 C ATOM 2513 CD1 LEU B 75 6.695 9.497 7.146 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.958 7.962 6.260 1.00 0.00 C ATOM 0 H LEU B 75 6.823 5.829 10.233 1.00 0.00 H new ATOM 0 HA LEU B 75 7.766 8.414 9.326 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.764 6.762 7.811 1.00 0.00 H new ATOM 0 HB3 LEU B 75 5.274 6.789 8.733 1.00 0.00 H new ATOM 0 HG LEU B 75 4.827 9.073 8.085 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.291 10.288 6.514 1.00 0.00 H new ATOM 0 HD12 LEU B 75 7.116 9.935 8.051 1.00 0.00 H new ATOM 0 HD13 LEU B 75 7.475 8.962 6.604 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.586 8.777 5.639 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.706 7.395 5.705 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.131 7.305 6.530 1.00 0.00 H new ATOM 2526 N GLU B 76 5.545 8.209 11.637 1.00 0.00 N ATOM 2527 CA GLU B 76 4.873 9.013 12.642 1.00 0.00 C ATOM 2528 C GLU B 76 5.904 9.556 13.622 1.00 0.00 C ATOM 2529 O GLU B 76 6.363 8.846 14.523 1.00 0.00 O ATOM 2530 CB GLU B 76 3.809 8.194 13.378 1.00 0.00 C ATOM 2531 CG GLU B 76 3.118 8.960 14.494 1.00 0.00 C ATOM 2532 CD GLU B 76 2.454 10.232 14.010 1.00 0.00 C ATOM 2533 OE1 GLU B 76 3.124 11.286 13.992 1.00 0.00 O ATOM 2534 OE2 GLU B 76 1.256 10.181 13.659 1.00 0.00 O ATOM 0 H GLU B 76 5.588 7.212 11.849 1.00 0.00 H new ATOM 0 HA GLU B 76 4.367 9.845 12.151 1.00 0.00 H new ATOM 0 HB2 GLU B 76 3.060 7.858 12.661 1.00 0.00 H new ATOM 0 HB3 GLU B 76 4.274 7.301 13.795 1.00 0.00 H new ATOM 0 HG2 GLU B 76 2.369 8.319 14.959 1.00 0.00 H new ATOM 0 HG3 GLU B 76 3.848 9.207 15.265 1.00 0.00 H new