USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=32 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: A 58 THR OG1 : rot 180:sc= 0.106 USER MOD Set 1.2: B 55 LYS NZ :NH3+ -156:sc= 0.0833 (180deg=0) USER MOD Set 2.1: B 21 ASN : amide:sc= -0.992! K(o=1.3!,f=-0.54) USER MOD Set 2.2: B 27 LYS NZ :NH3+ -163:sc= 2.29 (180deg=1.4) USER MOD Single : A 8 THR OG1 : rot 33:sc= 0.226 USER MOD Single : A 14 HIS : no HE2:sc= 0.986 K(o=0.99,f=-6.1!) USER MOD Single : A 17 THR OG1 : rot -75:sc= 1.21 USER MOD Single : A 19 SER OG : rot -6:sc= 0.895 USER MOD Single : A 21 ASN : amide:sc= -0.0211 X(o=-0.021,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -168:sc= -0.0493 (180deg=-0.242) USER MOD Single : A 26 THR OG1 : rot 149:sc=0.000925 USER MOD Single : A 27 LYS NZ :NH3+ 142:sc= -0.576 (180deg=-3.47!) USER MOD Single : A 30 ASN : amide:sc= 1.13 K(o=1.1,f=-0.38) USER MOD Single : A 33 SER OG : rot 38:sc= 0.0371 USER MOD Single : A 35 ASN : amide:sc= -0.116 K(o=-0.12,f=-1) USER MOD Single : A 40 LYS NZ :NH3+ 143:sc= 0.156 (180deg=-2.12!) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0518 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 65 GLN : amide:sc= 0.261 K(o=0.26,f=-8.8!) USER MOD Single : A 66 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A 67 MET CE :methyl -136:sc= 0 (180deg=-0.93) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= 1.16 (180deg=0.985) USER MOD Single : A 74 ASN :FLIP amide:sc= -0.0282 F(o=-1.8!,f=-0.028) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 HIS : no HD1:sc= -0.0519 X(o=-0.052,f=-0.05) USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot 109:sc= 0.98 USER MOD Single : B 23 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.11) USER MOD Single : B 26 THR OG1 : rot 128:sc= 0.326 USER MOD Single : B 30 ASN :FLIP amide:sc= -1.27 F(o=-2,f=-1.3) USER MOD Single : B 33 SER OG : rot 180:sc= 0.0185 USER MOD Single : B 35 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.39) USER MOD Single : B 40 LYS NZ :NH3+ -115:sc= 0.253 (180deg=-0.0427) USER MOD Single : B 47 SER OG : rot -79:sc= 0.239 USER MOD Single : B 58 THR OG1 : rot 34:sc= 0.11 USER MOD Single : B 60 SER OG : rot -74:sc= 0.817 USER MOD Single : B 61 ASN : amide:sc= -0.0844 X(o=-0.084,f=0) USER MOD Single : B 65 GLN : amide:sc= 0.17 X(o=0.17,f=0) USER MOD Single : B 66 THR OG1 : rot 70:sc= 1.25 USER MOD Single : B 67 MET CE :methyl -121:sc= -0.0535 (180deg=-4.21!) USER MOD Single : B 72 LYS NZ :NH3+ -178:sc= 1.64 (180deg=1.41) USER MOD Single : B 74 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 11.625 8.316 -16.001 1.00 0.00 N ATOM 127 CA THR A 8 12.793 7.589 -15.537 1.00 0.00 C ATOM 128 C THR A 8 12.790 7.534 -14.011 1.00 0.00 C ATOM 129 O THR A 8 12.875 8.566 -13.345 1.00 0.00 O ATOM 130 CB THR A 8 14.092 8.269 -16.020 1.00 0.00 C ATOM 131 OG1 THR A 8 13.994 8.569 -17.419 1.00 0.00 O ATOM 132 CG2 THR A 8 15.300 7.375 -15.772 1.00 0.00 C ATOM 0 HA THR A 8 12.754 6.579 -15.946 1.00 0.00 H new ATOM 0 HB THR A 8 14.224 9.192 -15.456 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.064 8.782 -17.643 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.202 7.877 -16.121 1.00 0.00 H new ATOM 0 HG22 THR A 8 15.388 7.171 -14.705 1.00 0.00 H new ATOM 0 HG23 THR A 8 15.175 6.437 -16.312 1.00 0.00 H new ATOM 140 N PHE A 9 12.705 6.339 -13.455 1.00 0.00 N ATOM 141 CA PHE A 9 12.591 6.200 -12.015 1.00 0.00 C ATOM 142 C PHE A 9 13.744 5.390 -11.448 1.00 0.00 C ATOM 143 O PHE A 9 14.176 4.397 -12.036 1.00 0.00 O ATOM 144 CB PHE A 9 11.244 5.569 -11.638 1.00 0.00 C ATOM 145 CG PHE A 9 11.031 4.174 -12.169 1.00 0.00 C ATOM 146 CD1 PHE A 9 10.579 3.970 -13.462 1.00 0.00 C ATOM 147 CD2 PHE A 9 11.278 3.069 -11.368 1.00 0.00 C ATOM 148 CE1 PHE A 9 10.378 2.692 -13.946 1.00 0.00 C ATOM 149 CE2 PHE A 9 11.079 1.790 -11.846 1.00 0.00 C ATOM 150 CZ PHE A 9 10.628 1.600 -13.137 1.00 0.00 C ATOM 0 H PHE A 9 12.713 5.460 -13.972 1.00 0.00 H new ATOM 0 HA PHE A 9 12.638 7.197 -11.577 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.160 5.546 -10.551 1.00 0.00 H new ATOM 0 HB3 PHE A 9 10.442 6.210 -12.006 1.00 0.00 H new ATOM 0 HD1 PHE A 9 10.381 4.820 -14.099 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.631 3.211 -10.357 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.026 2.546 -14.956 1.00 0.00 H new ATOM 0 HE2 PHE A 9 11.276 0.939 -11.211 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.471 0.600 -13.514 1.00 0.00 H new ATOM 160 N GLU A 10 14.250 5.844 -10.312 1.00 0.00 N ATOM 161 CA GLU A 10 15.322 5.152 -9.614 1.00 0.00 C ATOM 162 C GLU A 10 15.052 5.153 -8.116 1.00 0.00 C ATOM 163 O GLU A 10 14.480 6.107 -7.581 1.00 0.00 O ATOM 164 CB GLU A 10 16.683 5.795 -9.907 1.00 0.00 C ATOM 165 CG GLU A 10 17.092 5.701 -11.367 1.00 0.00 C ATOM 166 CD GLU A 10 18.509 6.167 -11.613 1.00 0.00 C ATOM 167 OE1 GLU A 10 19.439 5.342 -11.481 1.00 0.00 O ATOM 168 OE2 GLU A 10 18.700 7.352 -11.957 1.00 0.00 O ATOM 0 H GLU A 10 13.932 6.696 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 10 15.353 4.123 -9.974 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.652 6.844 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 10 17.444 5.314 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.991 4.668 -11.701 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.409 6.299 -11.970 1.00 0.00 H new ATOM 175 N ILE A 11 15.452 4.081 -7.449 1.00 0.00 N ATOM 176 CA ILE A 11 15.201 3.929 -6.023 1.00 0.00 C ATOM 177 C ILE A 11 16.177 4.765 -5.206 1.00 0.00 C ATOM 178 O ILE A 11 17.394 4.618 -5.321 1.00 0.00 O ATOM 179 CB ILE A 11 15.305 2.452 -5.582 1.00 0.00 C ATOM 180 CG1 ILE A 11 14.351 1.578 -6.401 1.00 0.00 C ATOM 181 CG2 ILE A 11 15.001 2.315 -4.093 1.00 0.00 C ATOM 182 CD1 ILE A 11 14.437 0.104 -6.065 1.00 0.00 C ATOM 0 H ILE A 11 15.953 3.301 -7.874 1.00 0.00 H new ATOM 0 HA ILE A 11 14.185 4.278 -5.841 1.00 0.00 H new ATOM 0 HB ILE A 11 16.325 2.113 -5.760 1.00 0.00 H new ATOM 0 HG12 ILE A 11 13.329 1.920 -6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 11 14.567 1.713 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 11 15.079 1.268 -3.801 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.715 2.906 -3.520 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.991 2.673 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 11 13.733 -0.452 -6.684 1.00 0.00 H new ATOM 0 HD12 ILE A 11 15.449 -0.254 -6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 11 14.191 -0.044 -5.014 1.00 0.00 H new ATOM 194 N GLU A 12 15.627 5.649 -4.390 1.00 0.00 N ATOM 195 CA GLU A 12 16.418 6.491 -3.509 1.00 0.00 C ATOM 196 C GLU A 12 16.662 5.801 -2.175 1.00 0.00 C ATOM 197 O GLU A 12 17.795 5.696 -1.710 1.00 0.00 O ATOM 198 CB GLU A 12 15.692 7.815 -3.274 1.00 0.00 C ATOM 199 CG GLU A 12 16.124 8.931 -4.204 1.00 0.00 C ATOM 200 CD GLU A 12 17.514 9.424 -3.881 1.00 0.00 C ATOM 201 OE1 GLU A 12 17.705 9.994 -2.784 1.00 0.00 O ATOM 202 OE2 GLU A 12 18.425 9.247 -4.714 1.00 0.00 O ATOM 0 H GLU A 12 14.621 5.803 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 12 17.381 6.678 -3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 12 14.620 7.655 -3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 12 15.858 8.130 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.094 8.577 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.419 9.759 -4.131 1.00 0.00 H new ATOM 209 N GLU A 13 15.586 5.313 -1.575 1.00 0.00 N ATOM 210 CA GLU A 13 15.650 4.759 -0.235 1.00 0.00 C ATOM 211 C GLU A 13 14.665 3.603 -0.079 1.00 0.00 C ATOM 212 O GLU A 13 13.580 3.616 -0.666 1.00 0.00 O ATOM 213 CB GLU A 13 15.349 5.866 0.781 1.00 0.00 C ATOM 214 CG GLU A 13 15.412 5.426 2.235 1.00 0.00 C ATOM 215 CD GLU A 13 15.141 6.569 3.189 1.00 0.00 C ATOM 216 OE1 GLU A 13 14.224 7.366 2.915 1.00 0.00 O ATOM 217 OE2 GLU A 13 15.852 6.687 4.208 1.00 0.00 O ATOM 0 H GLU A 13 14.658 5.291 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 13 16.651 4.367 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.057 6.681 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.355 6.266 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.684 4.633 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 13 16.396 5.006 2.444 1.00 0.00 H new ATOM 224 N HIS A 14 15.060 2.603 0.698 1.00 0.00 N ATOM 225 CA HIS A 14 14.193 1.472 1.003 1.00 0.00 C ATOM 226 C HIS A 14 13.525 1.714 2.350 1.00 0.00 C ATOM 227 O HIS A 14 14.209 1.809 3.369 1.00 0.00 O ATOM 228 CB HIS A 14 14.992 0.159 1.063 1.00 0.00 C ATOM 229 CG HIS A 14 15.777 -0.158 -0.178 1.00 0.00 C ATOM 230 ND1 HIS A 14 15.357 -1.062 -1.131 1.00 0.00 N ATOM 231 CD2 HIS A 14 16.971 0.308 -0.609 1.00 0.00 C ATOM 232 CE1 HIS A 14 16.258 -1.138 -2.091 1.00 0.00 C ATOM 233 NE2 HIS A 14 17.246 -0.315 -1.800 1.00 0.00 N ATOM 0 H HIS A 14 15.982 2.552 1.131 1.00 0.00 H new ATOM 0 HA HIS A 14 13.446 1.382 0.214 1.00 0.00 H new ATOM 0 HB2 HIS A 14 15.679 0.206 1.908 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.302 -0.661 1.259 1.00 0.00 H new ATOM 0 HD1 HIS A 14 14.485 -1.590 -1.098 1.00 0.00 H new ATOM 0 HD2 HIS A 14 17.593 1.036 -0.109 1.00 0.00 H new ATOM 0 HE1 HIS A 14 16.197 -1.767 -2.967 1.00 0.00 H new ATOM 242 N LEU A 15 12.203 1.838 2.357 1.00 0.00 N ATOM 243 CA LEU A 15 11.478 2.055 3.604 1.00 0.00 C ATOM 244 C LEU A 15 11.484 0.783 4.440 1.00 0.00 C ATOM 245 O LEU A 15 11.913 0.788 5.597 1.00 0.00 O ATOM 246 CB LEU A 15 10.038 2.494 3.324 1.00 0.00 C ATOM 247 CG LEU A 15 9.893 3.856 2.643 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.432 4.158 2.370 1.00 0.00 C ATOM 249 CD2 LEU A 15 10.500 4.949 3.506 1.00 0.00 C ATOM 0 H LEU A 15 11.616 1.793 1.524 1.00 0.00 H new ATOM 0 HA LEU A 15 11.978 2.849 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.560 1.740 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.492 2.517 4.267 1.00 0.00 H new ATOM 0 HG LEU A 15 10.427 3.824 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.346 5.130 1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.017 3.389 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.881 4.171 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.388 5.911 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.989 4.978 4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.559 4.743 3.663 1.00 0.00 H new ATOM 261 N LEU A 16 11.010 -0.301 3.841 1.00 0.00 N ATOM 262 CA LEU A 16 11.050 -1.610 4.474 1.00 0.00 C ATOM 263 C LEU A 16 10.694 -2.691 3.467 1.00 0.00 C ATOM 264 O LEU A 16 9.853 -2.483 2.585 1.00 0.00 O ATOM 265 CB LEU A 16 10.085 -1.703 5.665 1.00 0.00 C ATOM 266 CG LEU A 16 8.596 -1.674 5.309 1.00 0.00 C ATOM 267 CD1 LEU A 16 7.807 -2.534 6.280 1.00 0.00 C ATOM 268 CD2 LEU A 16 8.071 -0.248 5.322 1.00 0.00 C ATOM 0 H LEU A 16 10.591 -0.298 2.911 1.00 0.00 H new ATOM 0 HA LEU A 16 12.066 -1.756 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.293 -2.625 6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 16 10.294 -0.878 6.346 1.00 0.00 H new ATOM 0 HG LEU A 16 8.474 -2.077 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.750 -2.505 6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.165 -3.562 6.229 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.939 -2.153 7.293 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.011 -0.248 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.205 0.180 6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.620 0.348 4.593 1.00 0.00 H new ATOM 280 N THR A 17 11.339 -3.835 3.602 1.00 0.00 N ATOM 281 CA THR A 17 11.012 -4.994 2.800 1.00 0.00 C ATOM 282 C THR A 17 9.855 -5.736 3.451 1.00 0.00 C ATOM 283 O THR A 17 10.013 -6.313 4.528 1.00 0.00 O ATOM 284 CB THR A 17 12.219 -5.942 2.675 1.00 0.00 C ATOM 285 OG1 THR A 17 13.399 -5.185 2.388 1.00 0.00 O ATOM 286 CG2 THR A 17 11.993 -6.964 1.571 1.00 0.00 C ATOM 0 H THR A 17 12.099 -3.984 4.266 1.00 0.00 H new ATOM 0 HA THR A 17 10.736 -4.658 1.800 1.00 0.00 H new ATOM 0 HB THR A 17 12.340 -6.471 3.620 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.380 -4.891 1.453 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.859 -7.622 1.502 1.00 0.00 H new ATOM 0 HG22 THR A 17 11.105 -7.555 1.798 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.852 -6.448 0.621 1.00 0.00 H new ATOM 294 N LEU A 18 8.690 -5.691 2.817 1.00 0.00 N ATOM 295 CA LEU A 18 7.502 -6.323 3.369 1.00 0.00 C ATOM 296 C LEU A 18 7.710 -7.822 3.493 1.00 0.00 C ATOM 297 O LEU A 18 7.944 -8.338 4.589 1.00 0.00 O ATOM 298 CB LEU A 18 6.274 -6.034 2.500 1.00 0.00 C ATOM 299 CG LEU A 18 5.899 -4.557 2.365 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.674 -4.399 1.482 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.647 -3.947 3.733 1.00 0.00 C ATOM 0 H LEU A 18 8.544 -5.224 1.922 1.00 0.00 H new ATOM 0 HA LEU A 18 7.328 -5.906 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.452 -6.439 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.421 -6.571 2.915 1.00 0.00 H new ATOM 0 HG LEU A 18 6.732 -4.031 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.421 -3.342 1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.885 -4.803 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.836 -4.938 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.381 -2.896 3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.830 -4.477 4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.549 -4.030 4.340 1.00 0.00 H new ATOM 313 N SER A 19 7.658 -8.515 2.365 1.00 0.00 N ATOM 314 CA SER A 19 7.801 -9.966 2.346 1.00 0.00 C ATOM 315 C SER A 19 8.051 -10.461 0.926 1.00 0.00 C ATOM 316 O SER A 19 7.696 -9.793 -0.049 1.00 0.00 O ATOM 317 CB SER A 19 6.550 -10.657 2.912 1.00 0.00 C ATOM 318 OG SER A 19 6.343 -10.339 4.282 1.00 0.00 O ATOM 0 H SER A 19 7.517 -8.095 1.446 1.00 0.00 H new ATOM 0 HA SER A 19 8.655 -10.218 2.974 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.676 -10.357 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.650 -11.737 2.801 1.00 0.00 H new ATOM 0 HG SER A 19 7.103 -9.818 4.615 1.00 0.00 H new ATOM 324 N GLU A 20 8.676 -11.621 0.822 1.00 0.00 N ATOM 325 CA GLU A 20 8.871 -12.278 -0.459 1.00 0.00 C ATOM 326 C GLU A 20 7.830 -13.378 -0.634 1.00 0.00 C ATOM 327 O GLU A 20 7.606 -14.178 0.275 1.00 0.00 O ATOM 328 CB GLU A 20 10.281 -12.865 -0.552 1.00 0.00 C ATOM 329 CG GLU A 20 10.507 -13.708 -1.795 1.00 0.00 C ATOM 330 CD GLU A 20 11.849 -14.399 -1.790 1.00 0.00 C ATOM 331 OE1 GLU A 20 12.134 -15.137 -0.827 1.00 0.00 O ATOM 332 OE2 GLU A 20 12.616 -14.225 -2.757 1.00 0.00 O ATOM 0 H GLU A 20 9.060 -12.131 1.617 1.00 0.00 H new ATOM 0 HA GLU A 20 8.753 -11.542 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.006 -12.051 -0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.470 -13.476 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.718 -14.456 -1.871 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.432 -13.074 -2.678 1.00 0.00 H new ATOM 339 N ASN A 21 7.189 -13.403 -1.790 1.00 0.00 N ATOM 340 CA ASN A 21 6.179 -14.406 -2.083 1.00 0.00 C ATOM 341 C ASN A 21 6.760 -15.508 -2.961 1.00 0.00 C ATOM 342 O ASN A 21 7.288 -15.231 -4.049 1.00 0.00 O ATOM 343 CB ASN A 21 4.971 -13.761 -2.774 1.00 0.00 C ATOM 344 CG ASN A 21 3.893 -14.761 -3.157 1.00 0.00 C ATOM 345 OD1 ASN A 21 3.011 -15.079 -2.359 1.00 0.00 O ATOM 346 ND2 ASN A 21 3.946 -15.249 -4.387 1.00 0.00 N ATOM 0 H ASN A 21 7.351 -12.736 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 21 5.850 -14.848 -1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.541 -13.009 -2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.309 -13.240 -3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.240 -15.913 -4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.693 -14.960 -5.018 1.00 0.00 H new ATOM 353 N GLU A 22 6.660 -16.742 -2.456 1.00 0.00 N ATOM 354 CA GLU A 22 7.066 -17.960 -3.167 1.00 0.00 C ATOM 355 C GLU A 22 8.378 -17.813 -3.925 1.00 0.00 C ATOM 356 O GLU A 22 8.507 -18.302 -5.046 1.00 0.00 O ATOM 357 CB GLU A 22 5.949 -18.437 -4.093 1.00 0.00 C ATOM 358 CG GLU A 22 4.858 -19.183 -3.345 1.00 0.00 C ATOM 359 CD GLU A 22 5.419 -20.335 -2.534 1.00 0.00 C ATOM 360 OE1 GLU A 22 5.841 -20.107 -1.381 1.00 0.00 O ATOM 361 OE2 GLU A 22 5.459 -21.469 -3.054 1.00 0.00 O ATOM 0 H GLU A 22 6.288 -16.926 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 22 7.246 -18.717 -2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.514 -17.579 -4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.369 -19.087 -4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.334 -18.493 -2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.124 -19.562 -4.056 1.00 0.00 H new ATOM 368 N LYS A 23 9.349 -17.168 -3.281 1.00 0.00 N ATOM 369 CA LYS A 23 10.704 -17.032 -3.815 1.00 0.00 C ATOM 370 C LYS A 23 10.721 -16.235 -5.119 1.00 0.00 C ATOM 371 O LYS A 23 10.316 -16.725 -6.175 1.00 0.00 O ATOM 372 CB LYS A 23 11.345 -18.407 -4.037 1.00 0.00 C ATOM 373 CG LYS A 23 11.211 -19.357 -2.856 1.00 0.00 C ATOM 374 CD LYS A 23 11.703 -18.733 -1.563 1.00 0.00 C ATOM 375 CE LYS A 23 11.604 -19.710 -0.402 1.00 0.00 C ATOM 376 NZ LYS A 23 10.217 -20.216 -0.195 1.00 0.00 N ATOM 0 H LYS A 23 9.219 -16.724 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 23 11.286 -16.484 -3.074 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.891 -18.869 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.403 -18.270 -4.260 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.167 -19.649 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.777 -20.267 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.738 -18.412 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.116 -17.842 -1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.271 -20.553 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.948 -19.221 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.161 -20.711 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.552 -19.417 -0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.970 -20.874 -0.961 1.00 0.00 H new ATOM 390 N GLY A 24 11.188 -15.004 -5.043 1.00 0.00 N ATOM 391 CA GLY A 24 11.273 -14.181 -6.228 1.00 0.00 C ATOM 392 C GLY A 24 10.307 -13.016 -6.208 1.00 0.00 C ATOM 393 O GLY A 24 10.706 -11.880 -6.461 1.00 0.00 O ATOM 0 H GLY A 24 11.510 -14.558 -4.184 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.290 -13.801 -6.328 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.074 -14.796 -7.106 1.00 0.00 H new ATOM 397 N TRP A 25 9.041 -13.282 -5.891 1.00 0.00 N ATOM 398 CA TRP A 25 8.029 -12.231 -5.912 1.00 0.00 C ATOM 399 C TRP A 25 8.133 -11.377 -4.662 1.00 0.00 C ATOM 400 O TRP A 25 7.377 -11.557 -3.710 1.00 0.00 O ATOM 401 CB TRP A 25 6.624 -12.824 -6.016 1.00 0.00 C ATOM 402 CG TRP A 25 6.319 -13.413 -7.355 1.00 0.00 C ATOM 403 CD1 TRP A 25 6.687 -14.642 -7.818 1.00 0.00 C ATOM 404 CD2 TRP A 25 5.562 -12.797 -8.399 1.00 0.00 C ATOM 405 NE1 TRP A 25 6.216 -14.822 -9.095 1.00 0.00 N ATOM 406 CE2 TRP A 25 5.521 -13.704 -9.473 1.00 0.00 C ATOM 407 CE3 TRP A 25 4.919 -11.565 -8.529 1.00 0.00 C ATOM 408 CZ2 TRP A 25 4.859 -13.414 -10.661 1.00 0.00 C ATOM 409 CZ3 TRP A 25 4.261 -11.279 -9.708 1.00 0.00 C ATOM 410 CH2 TRP A 25 4.235 -12.200 -10.762 1.00 0.00 C ATOM 0 H TRP A 25 8.696 -14.203 -5.620 1.00 0.00 H new ATOM 0 HA TRP A 25 8.208 -11.610 -6.789 1.00 0.00 H new ATOM 0 HB2 TRP A 25 6.507 -13.595 -5.254 1.00 0.00 H new ATOM 0 HB3 TRP A 25 5.893 -12.046 -5.796 1.00 0.00 H new ATOM 0 HD1 TRP A 25 7.264 -15.367 -7.262 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.360 -15.653 -9.669 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.936 -10.848 -7.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.838 -14.122 -11.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 3.758 -10.330 -9.819 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.712 -11.948 -11.673 1.00 0.00 H new ATOM 421 N THR A 26 9.071 -10.458 -4.655 1.00 0.00 N ATOM 422 CA THR A 26 9.339 -9.696 -3.457 1.00 0.00 C ATOM 423 C THR A 26 8.521 -8.414 -3.440 1.00 0.00 C ATOM 424 O THR A 26 8.389 -7.732 -4.457 1.00 0.00 O ATOM 425 CB THR A 26 10.835 -9.374 -3.343 1.00 0.00 C ATOM 426 OG1 THR A 26 11.598 -10.545 -3.666 1.00 0.00 O ATOM 427 CG2 THR A 26 11.186 -8.914 -1.936 1.00 0.00 C ATOM 0 H THR A 26 9.656 -10.221 -5.456 1.00 0.00 H new ATOM 0 HA THR A 26 9.049 -10.302 -2.599 1.00 0.00 H new ATOM 0 HB THR A 26 11.071 -8.569 -4.039 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.450 -10.279 -4.070 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.252 -8.692 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.616 -8.017 -1.693 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.943 -9.703 -1.224 1.00 0.00 H new ATOM 435 N LYS A 27 7.971 -8.093 -2.284 1.00 0.00 N ATOM 436 CA LYS A 27 7.153 -6.910 -2.138 1.00 0.00 C ATOM 437 C LYS A 27 7.807 -5.953 -1.156 1.00 0.00 C ATOM 438 O LYS A 27 8.121 -6.334 -0.023 1.00 0.00 O ATOM 439 CB LYS A 27 5.756 -7.300 -1.662 1.00 0.00 C ATOM 440 CG LYS A 27 4.727 -6.195 -1.819 1.00 0.00 C ATOM 441 CD LYS A 27 3.347 -6.612 -1.322 1.00 0.00 C ATOM 442 CE LYS A 27 2.750 -7.764 -2.131 1.00 0.00 C ATOM 443 NZ LYS A 27 3.335 -9.083 -1.764 1.00 0.00 N ATOM 0 H LYS A 27 8.078 -8.640 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 27 7.062 -6.411 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.423 -8.176 -2.219 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.807 -7.590 -0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.057 -5.314 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.661 -5.910 -2.869 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.417 -6.907 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.675 -5.755 -1.368 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.672 -7.793 -1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.914 -7.581 -3.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.591 -9.809 -1.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.079 -9.334 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.744 -9.028 -0.809 1.00 0.00 H new ATOM 457 N GLU A 28 8.012 -4.721 -1.597 1.00 0.00 N ATOM 458 CA GLU A 28 8.718 -3.730 -0.808 1.00 0.00 C ATOM 459 C GLU A 28 8.170 -2.335 -1.100 1.00 0.00 C ATOM 460 O GLU A 28 7.634 -2.081 -2.183 1.00 0.00 O ATOM 461 CB GLU A 28 10.221 -3.801 -1.115 1.00 0.00 C ATOM 462 CG GLU A 28 11.073 -2.845 -0.292 1.00 0.00 C ATOM 463 CD GLU A 28 12.560 -3.047 -0.503 1.00 0.00 C ATOM 464 OE1 GLU A 28 13.156 -3.874 0.209 1.00 0.00 O ATOM 465 OE2 GLU A 28 13.143 -2.372 -1.375 1.00 0.00 O ATOM 0 H GLU A 28 7.695 -4.384 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 28 8.567 -3.938 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.568 -4.820 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.375 -3.588 -2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.811 -1.819 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.840 -2.977 0.765 1.00 0.00 H new ATOM 472 N ILE A 29 8.280 -1.447 -0.126 1.00 0.00 N ATOM 473 CA ILE A 29 7.841 -0.071 -0.297 1.00 0.00 C ATOM 474 C ILE A 29 9.058 0.843 -0.355 1.00 0.00 C ATOM 475 O ILE A 29 9.885 0.850 0.562 1.00 0.00 O ATOM 476 CB ILE A 29 6.892 0.369 0.838 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.752 -0.647 0.979 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.339 1.761 0.553 1.00 0.00 C ATOM 479 CD1 ILE A 29 4.813 -0.365 2.128 1.00 0.00 C ATOM 0 H ILE A 29 8.670 -1.654 0.793 1.00 0.00 H new ATOM 0 HA ILE A 29 7.284 -0.001 -1.231 1.00 0.00 H new ATOM 0 HB ILE A 29 7.447 0.408 1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.179 -0.665 0.052 1.00 0.00 H new ATOM 0 HG13 ILE A 29 6.180 -1.641 1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.671 2.060 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.162 2.472 0.481 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.788 1.748 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.036 -1.129 2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.370 -0.377 3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.354 0.614 1.991 1.00 0.00 H new ATOM 491 N ASN A 30 9.178 1.605 -1.434 1.00 0.00 N ATOM 492 CA ASN A 30 10.395 2.366 -1.681 1.00 0.00 C ATOM 493 C ASN A 30 10.107 3.848 -1.858 1.00 0.00 C ATOM 494 O ASN A 30 8.972 4.251 -2.109 1.00 0.00 O ATOM 495 CB ASN A 30 11.113 1.854 -2.938 1.00 0.00 C ATOM 496 CG ASN A 30 11.432 0.374 -2.885 1.00 0.00 C ATOM 497 OD1 ASN A 30 10.677 -0.457 -3.393 1.00 0.00 O ATOM 498 ND2 ASN A 30 12.554 0.037 -2.278 1.00 0.00 N ATOM 0 H ASN A 30 8.455 1.712 -2.146 1.00 0.00 H new ATOM 0 HA ASN A 30 11.032 2.230 -0.807 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.490 2.053 -3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.039 2.414 -3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.825 -0.944 -2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.150 0.758 -1.871 1.00 0.00 H new ATOM 505 N ARG A 31 11.152 4.648 -1.706 1.00 0.00 N ATOM 506 CA ARG A 31 11.111 6.050 -2.081 1.00 0.00 C ATOM 507 C ARG A 31 11.781 6.203 -3.437 1.00 0.00 C ATOM 508 O ARG A 31 12.998 6.044 -3.557 1.00 0.00 O ATOM 509 CB ARG A 31 11.811 6.923 -1.037 1.00 0.00 C ATOM 510 CG ARG A 31 11.068 7.005 0.285 1.00 0.00 C ATOM 511 CD ARG A 31 11.791 7.904 1.275 1.00 0.00 C ATOM 512 NE ARG A 31 11.945 9.269 0.774 1.00 0.00 N ATOM 513 CZ ARG A 31 13.121 9.866 0.586 1.00 0.00 C ATOM 514 NH1 ARG A 31 14.247 9.264 0.955 1.00 0.00 N ATOM 515 NH2 ARG A 31 13.168 11.091 0.085 1.00 0.00 N ATOM 0 H ARG A 31 12.046 4.344 -1.321 1.00 0.00 H new ATOM 0 HA ARG A 31 10.074 6.380 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.811 6.529 -0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.932 7.929 -1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.061 7.385 0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.964 6.006 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.239 7.924 2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.774 7.486 1.492 1.00 0.00 H new ATOM 0 HE ARG A 31 11.100 9.797 0.555 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.214 8.340 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.144 9.726 0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.304 11.577 -0.157 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.068 11.549 -0.059 1.00 0.00 H new ATOM 529 N VAL A 32 10.985 6.470 -4.459 1.00 0.00 N ATOM 530 CA VAL A 32 11.486 6.506 -5.822 1.00 0.00 C ATOM 531 C VAL A 32 11.402 7.915 -6.403 1.00 0.00 C ATOM 532 O VAL A 32 10.376 8.584 -6.280 1.00 0.00 O ATOM 533 CB VAL A 32 10.699 5.530 -6.725 1.00 0.00 C ATOM 534 CG1 VAL A 32 11.259 5.528 -8.140 1.00 0.00 C ATOM 535 CG2 VAL A 32 10.720 4.122 -6.145 1.00 0.00 C ATOM 0 H VAL A 32 9.988 6.665 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 32 12.532 6.199 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 32 9.665 5.871 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.688 4.833 -8.756 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.187 6.531 -8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.304 5.219 -8.117 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.160 3.452 -6.797 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.751 3.776 -6.068 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.264 4.130 -5.155 1.00 0.00 H new ATOM 545 N SER A 33 12.490 8.366 -7.012 1.00 0.00 N ATOM 546 CA SER A 33 12.509 9.652 -7.692 1.00 0.00 C ATOM 547 C SER A 33 12.079 9.469 -9.146 1.00 0.00 C ATOM 548 O SER A 33 12.569 8.566 -9.830 1.00 0.00 O ATOM 549 CB SER A 33 13.910 10.258 -7.612 1.00 0.00 C ATOM 550 OG SER A 33 14.888 9.329 -8.055 1.00 0.00 O ATOM 0 H SER A 33 13.374 7.858 -7.049 1.00 0.00 H new ATOM 0 HA SER A 33 11.811 10.334 -7.207 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.956 11.160 -8.222 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.124 10.556 -6.586 1.00 0.00 H new ATOM 0 HG SER A 33 14.535 8.820 -8.814 1.00 0.00 H new ATOM 556 N PHE A 34 11.167 10.317 -9.609 1.00 0.00 N ATOM 557 CA PHE A 34 10.588 10.157 -10.938 1.00 0.00 C ATOM 558 C PHE A 34 10.977 11.292 -11.879 1.00 0.00 C ATOM 559 O PHE A 34 10.422 12.389 -11.803 1.00 0.00 O ATOM 560 CB PHE A 34 9.060 10.069 -10.853 1.00 0.00 C ATOM 561 CG PHE A 34 8.550 8.797 -10.234 1.00 0.00 C ATOM 562 CD1 PHE A 34 8.304 7.687 -11.019 1.00 0.00 C ATOM 563 CD2 PHE A 34 8.314 8.715 -8.871 1.00 0.00 C ATOM 564 CE1 PHE A 34 7.834 6.514 -10.460 1.00 0.00 C ATOM 565 CE2 PHE A 34 7.842 7.546 -8.304 1.00 0.00 C ATOM 566 CZ PHE A 34 7.602 6.444 -9.100 1.00 0.00 C ATOM 0 H PHE A 34 10.814 11.119 -9.087 1.00 0.00 H new ATOM 0 HA PHE A 34 10.990 9.229 -11.345 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.690 10.915 -10.274 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.645 10.163 -11.857 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.481 7.737 -12.083 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.501 9.574 -8.244 1.00 0.00 H new ATOM 0 HE1 PHE A 34 7.648 5.653 -11.085 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.661 7.495 -7.240 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.234 5.529 -8.660 1.00 0.00 H new ATOM 576 N ASN A 35 11.949 11.018 -12.744 1.00 0.00 N ATOM 577 CA ASN A 35 12.302 11.901 -13.865 1.00 0.00 C ATOM 578 C ASN A 35 12.681 13.311 -13.394 1.00 0.00 C ATOM 579 O ASN A 35 12.492 14.292 -14.114 1.00 0.00 O ATOM 580 CB ASN A 35 11.126 11.970 -14.848 1.00 0.00 C ATOM 581 CG ASN A 35 11.526 12.454 -16.229 1.00 0.00 C ATOM 582 OD1 ASN A 35 12.642 12.215 -16.689 1.00 0.00 O ATOM 583 ND2 ASN A 35 10.614 13.132 -16.903 1.00 0.00 N ATOM 0 H ASN A 35 12.520 10.175 -12.692 1.00 0.00 H new ATOM 0 HA ASN A 35 13.178 11.482 -14.360 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.675 10.982 -14.934 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.363 12.635 -14.444 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.824 13.478 -17.839 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.700 13.310 -16.487 1.00 0.00 H new ATOM 590 N GLY A 36 13.237 13.403 -12.194 1.00 0.00 N ATOM 591 CA GLY A 36 13.622 14.693 -11.654 1.00 0.00 C ATOM 592 C GLY A 36 12.782 15.089 -10.455 1.00 0.00 C ATOM 593 O GLY A 36 13.144 15.993 -9.699 1.00 0.00 O ATOM 0 H GLY A 36 13.429 12.608 -11.584 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.673 14.665 -11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.525 15.453 -12.430 1.00 0.00 H new ATOM 597 N ALA A 37 11.650 14.421 -10.286 1.00 0.00 N ATOM 598 CA ALA A 37 10.778 14.677 -9.150 1.00 0.00 C ATOM 599 C ALA A 37 11.327 14.000 -7.898 1.00 0.00 C ATOM 600 O ALA A 37 11.987 12.964 -7.993 1.00 0.00 O ATOM 601 CB ALA A 37 9.363 14.198 -9.441 1.00 0.00 C ATOM 0 H ALA A 37 11.314 13.697 -10.922 1.00 0.00 H new ATOM 0 HA ALA A 37 10.744 15.752 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.727 14.399 -8.579 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.972 14.725 -10.311 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.376 13.127 -9.641 1.00 0.00 H new ATOM 607 N PRO A 38 11.072 14.588 -6.716 1.00 0.00 N ATOM 608 CA PRO A 38 11.557 14.052 -5.434 1.00 0.00 C ATOM 609 C PRO A 38 11.128 12.607 -5.197 1.00 0.00 C ATOM 610 O PRO A 38 10.151 12.130 -5.781 1.00 0.00 O ATOM 611 CB PRO A 38 10.914 14.971 -4.393 1.00 0.00 C ATOM 612 CG PRO A 38 10.638 16.235 -5.125 1.00 0.00 C ATOM 613 CD PRO A 38 10.303 15.830 -6.531 1.00 0.00 C ATOM 0 HA PRO A 38 12.646 14.033 -5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.998 14.537 -3.993 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.581 15.140 -3.548 1.00 0.00 H new ATOM 0 HG2 PRO A 38 9.812 16.779 -4.668 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.505 16.896 -5.105 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.233 15.664 -6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.594 16.595 -7.251 1.00 0.00 H new ATOM 621 N ALA A 39 11.865 11.918 -4.336 1.00 0.00 N ATOM 622 CA ALA A 39 11.584 10.527 -4.025 1.00 0.00 C ATOM 623 C ALA A 39 10.260 10.388 -3.285 1.00 0.00 C ATOM 624 O ALA A 39 10.151 10.734 -2.110 1.00 0.00 O ATOM 625 CB ALA A 39 12.719 9.931 -3.206 1.00 0.00 C ATOM 0 H ALA A 39 12.667 12.305 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 39 11.503 9.978 -4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.496 8.888 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.647 9.988 -3.775 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.828 10.489 -2.276 1.00 0.00 H new ATOM 631 N LYS A 40 9.256 9.887 -3.984 1.00 0.00 N ATOM 632 CA LYS A 40 7.934 9.701 -3.412 1.00 0.00 C ATOM 633 C LYS A 40 7.852 8.382 -2.666 1.00 0.00 C ATOM 634 O LYS A 40 8.689 7.500 -2.857 1.00 0.00 O ATOM 635 CB LYS A 40 6.880 9.710 -4.512 1.00 0.00 C ATOM 636 CG LYS A 40 6.687 11.054 -5.185 1.00 0.00 C ATOM 637 CD LYS A 40 5.617 10.987 -6.270 1.00 0.00 C ATOM 638 CE LYS A 40 4.300 10.429 -5.740 1.00 0.00 C ATOM 639 NZ LYS A 40 4.244 8.938 -5.797 1.00 0.00 N ATOM 0 H LYS A 40 9.334 9.599 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 40 7.751 10.520 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.156 8.975 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.928 9.390 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.405 11.798 -4.440 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.630 11.382 -5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.451 11.984 -6.677 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.971 10.363 -7.090 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.160 10.755 -4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.475 10.842 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.742 8.577 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.741 8.642 -6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.211 8.555 -5.812 1.00 0.00 H new ATOM 653 N PHE A 41 6.846 8.251 -1.819 1.00 0.00 N ATOM 654 CA PHE A 41 6.581 6.984 -1.165 1.00 0.00 C ATOM 655 C PHE A 41 5.603 6.183 -2.017 1.00 0.00 C ATOM 656 O PHE A 41 4.441 6.563 -2.156 1.00 0.00 O ATOM 657 CB PHE A 41 5.980 7.203 0.224 1.00 0.00 C ATOM 658 CG PHE A 41 6.734 8.172 1.093 1.00 0.00 C ATOM 659 CD1 PHE A 41 7.929 7.810 1.689 1.00 0.00 C ATOM 660 CD2 PHE A 41 6.234 9.445 1.323 1.00 0.00 C ATOM 661 CE1 PHE A 41 8.617 8.699 2.493 1.00 0.00 C ATOM 662 CE2 PHE A 41 6.917 10.337 2.126 1.00 0.00 C ATOM 663 CZ PHE A 41 8.111 9.965 2.712 1.00 0.00 C ATOM 0 H PHE A 41 6.203 9.003 -1.570 1.00 0.00 H new ATOM 0 HA PHE A 41 7.520 6.442 -1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.957 7.560 0.109 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.927 6.243 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 41 8.329 6.821 1.524 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.300 9.742 0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.550 8.404 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.517 11.326 2.296 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.647 10.662 3.339 1.00 0.00 H new ATOM 673 N ASP A 42 6.063 5.077 -2.579 1.00 0.00 N ATOM 674 CA ASP A 42 5.231 4.277 -3.470 1.00 0.00 C ATOM 675 C ASP A 42 5.400 2.792 -3.178 1.00 0.00 C ATOM 676 O ASP A 42 6.508 2.320 -2.907 1.00 0.00 O ATOM 677 CB ASP A 42 5.561 4.583 -4.936 1.00 0.00 C ATOM 678 CG ASP A 42 5.101 5.972 -5.361 1.00 0.00 C ATOM 679 OD1 ASP A 42 3.874 6.203 -5.430 1.00 0.00 O ATOM 680 OD2 ASP A 42 5.957 6.840 -5.637 1.00 0.00 O ATOM 0 H ASP A 42 7.005 4.712 -2.436 1.00 0.00 H new ATOM 0 HA ASP A 42 4.189 4.541 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.637 4.498 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.089 3.836 -5.575 1.00 0.00 H new ATOM 685 N ILE A 43 4.296 2.059 -3.228 1.00 0.00 N ATOM 686 CA ILE A 43 4.298 0.639 -2.908 1.00 0.00 C ATOM 687 C ILE A 43 4.349 -0.184 -4.184 1.00 0.00 C ATOM 688 O ILE A 43 3.566 0.053 -5.108 1.00 0.00 O ATOM 689 CB ILE A 43 3.041 0.245 -2.105 1.00 0.00 C ATOM 690 CG1 ILE A 43 2.910 1.126 -0.859 1.00 0.00 C ATOM 691 CG2 ILE A 43 3.096 -1.227 -1.716 1.00 0.00 C ATOM 692 CD1 ILE A 43 1.645 0.879 -0.064 1.00 0.00 C ATOM 0 H ILE A 43 3.382 2.428 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 43 5.180 0.438 -2.300 1.00 0.00 H new ATOM 0 HB ILE A 43 2.164 0.400 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.772 0.957 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.939 2.173 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.202 -1.487 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.147 -1.840 -2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.979 -1.409 -1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.625 1.540 0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.776 1.077 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.622 -0.158 0.270 1.00 0.00 H new ATOM 704 N ARG A 44 5.262 -1.144 -4.250 1.00 0.00 N ATOM 705 CA ARG A 44 5.400 -1.953 -5.450 1.00 0.00 C ATOM 706 C ARG A 44 5.828 -3.378 -5.117 1.00 0.00 C ATOM 707 O ARG A 44 6.144 -3.701 -3.972 1.00 0.00 O ATOM 708 CB ARG A 44 6.428 -1.329 -6.397 1.00 0.00 C ATOM 709 CG ARG A 44 7.860 -1.446 -5.897 1.00 0.00 C ATOM 710 CD ARG A 44 8.855 -0.983 -6.944 1.00 0.00 C ATOM 711 NE ARG A 44 10.215 -1.410 -6.625 1.00 0.00 N ATOM 712 CZ ARG A 44 11.067 -1.897 -7.529 1.00 0.00 C ATOM 713 NH1 ARG A 44 10.700 -2.008 -8.802 1.00 0.00 N ATOM 714 NH2 ARG A 44 12.284 -2.279 -7.162 1.00 0.00 N ATOM 0 H ARG A 44 5.909 -1.378 -3.497 1.00 0.00 H new ATOM 0 HA ARG A 44 4.424 -1.987 -5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.351 -1.810 -7.372 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.186 -0.276 -6.541 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.980 -0.851 -4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.069 -2.481 -5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.569 -1.379 -7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.824 0.104 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 44 10.531 -1.332 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 44 9.765 -1.720 -9.090 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.354 -2.381 -9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.571 -2.201 -6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.933 -2.651 -7.856 1.00 0.00 H new ATOM 728 N ALA A 45 5.823 -4.223 -6.130 1.00 0.00 N ATOM 729 CA ALA A 45 6.378 -5.556 -6.021 1.00 0.00 C ATOM 730 C ALA A 45 7.267 -5.814 -7.220 1.00 0.00 C ATOM 731 O ALA A 45 6.904 -5.467 -8.347 1.00 0.00 O ATOM 732 CB ALA A 45 5.273 -6.597 -5.937 1.00 0.00 C ATOM 0 H ALA A 45 5.435 -4.005 -7.048 1.00 0.00 H new ATOM 0 HA ALA A 45 6.967 -5.630 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.714 -7.590 -5.856 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.655 -6.402 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.656 -6.546 -6.834 1.00 0.00 H new ATOM 738 N TRP A 46 8.437 -6.385 -6.993 1.00 0.00 N ATOM 739 CA TRP A 46 9.347 -6.660 -8.087 1.00 0.00 C ATOM 740 C TRP A 46 9.470 -8.160 -8.321 1.00 0.00 C ATOM 741 O TRP A 46 9.648 -8.948 -7.385 1.00 0.00 O ATOM 742 CB TRP A 46 10.719 -5.994 -7.876 1.00 0.00 C ATOM 743 CG TRP A 46 11.380 -6.273 -6.559 1.00 0.00 C ATOM 744 CD1 TRP A 46 11.119 -5.665 -5.364 1.00 0.00 C ATOM 745 CD2 TRP A 46 12.442 -7.201 -6.314 1.00 0.00 C ATOM 746 NE1 TRP A 46 11.949 -6.162 -4.391 1.00 0.00 N ATOM 747 CE2 TRP A 46 12.768 -7.108 -4.948 1.00 0.00 C ATOM 748 CE3 TRP A 46 13.148 -8.105 -7.116 1.00 0.00 C ATOM 749 CZ2 TRP A 46 13.767 -7.884 -4.365 1.00 0.00 C ATOM 750 CZ3 TRP A 46 14.140 -8.874 -6.535 1.00 0.00 C ATOM 751 CH2 TRP A 46 14.441 -8.759 -5.173 1.00 0.00 C ATOM 0 H TRP A 46 8.775 -6.664 -6.072 1.00 0.00 H new ATOM 0 HA TRP A 46 8.926 -6.217 -8.990 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.387 -6.319 -8.673 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.599 -4.916 -7.981 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.369 -4.904 -5.208 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.955 -5.874 -3.413 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.923 -8.200 -8.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 14.001 -7.798 -3.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.692 -9.575 -7.143 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.222 -9.374 -4.751 1.00 0.00 H new ATOM 762 N SER A 47 9.336 -8.535 -9.582 1.00 0.00 N ATOM 763 CA SER A 47 9.326 -9.923 -9.995 1.00 0.00 C ATOM 764 C SER A 47 10.736 -10.503 -9.997 1.00 0.00 C ATOM 765 O SER A 47 11.719 -9.757 -10.015 1.00 0.00 O ATOM 766 CB SER A 47 8.743 -10.003 -11.403 1.00 0.00 C ATOM 767 OG SER A 47 7.945 -8.864 -11.681 1.00 0.00 O ATOM 0 H SER A 47 9.230 -7.876 -10.353 1.00 0.00 H new ATOM 0 HA SER A 47 8.723 -10.500 -9.294 1.00 0.00 H new ATOM 0 HB2 SER A 47 9.550 -10.075 -12.132 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.142 -10.907 -11.502 1.00 0.00 H new ATOM 0 HG SER A 47 7.582 -8.933 -12.589 1.00 0.00 H new ATOM 877 N LYS A 55 4.359 -4.352 -11.073 1.00 0.00 N ATOM 878 CA LYS A 55 3.452 -3.227 -10.842 1.00 0.00 C ATOM 879 C LYS A 55 3.367 -2.841 -9.362 1.00 0.00 C ATOM 880 O LYS A 55 4.262 -3.149 -8.566 1.00 0.00 O ATOM 881 CB LYS A 55 2.054 -3.548 -11.384 1.00 0.00 C ATOM 882 CG LYS A 55 2.063 -3.978 -12.842 1.00 0.00 C ATOM 883 CD LYS A 55 0.712 -3.786 -13.507 1.00 0.00 C ATOM 884 CE LYS A 55 -0.370 -4.637 -12.867 1.00 0.00 C ATOM 885 NZ LYS A 55 -1.677 -4.473 -13.559 1.00 0.00 N ATOM 0 HA LYS A 55 3.862 -2.371 -11.378 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.610 -4.340 -10.781 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.418 -2.670 -11.275 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.816 -3.405 -13.383 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.352 -5.027 -12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.427 -2.736 -13.449 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.791 -4.037 -14.565 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.073 -5.685 -12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.476 -4.363 -11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.392 -5.069 -13.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.972 -3.477 -13.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.581 -4.759 -14.554 1.00 0.00 H new ATOM 899 N GLY A 56 2.302 -2.128 -9.022 1.00 0.00 N ATOM 900 CA GLY A 56 2.089 -1.674 -7.669 1.00 0.00 C ATOM 901 C GLY A 56 1.083 -0.546 -7.641 1.00 0.00 C ATOM 902 O GLY A 56 0.309 -0.379 -8.588 1.00 0.00 O ATOM 0 H GLY A 56 1.570 -1.853 -9.677 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.734 -2.501 -7.053 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.033 -1.338 -7.239 1.00 0.00 H new ATOM 906 N ILE A 57 1.092 0.238 -6.579 1.00 0.00 N ATOM 907 CA ILE A 57 0.198 1.377 -6.483 1.00 0.00 C ATOM 908 C ILE A 57 0.959 2.614 -6.021 1.00 0.00 C ATOM 909 O ILE A 57 1.771 2.553 -5.092 1.00 0.00 O ATOM 910 CB ILE A 57 -1.005 1.094 -5.550 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.973 2.282 -5.553 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.536 0.778 -4.132 1.00 0.00 C ATOM 913 CD1 ILE A 57 -3.291 1.996 -4.871 1.00 0.00 C ATOM 0 H ILE A 57 1.705 0.108 -5.774 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.204 1.562 -7.479 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.533 0.218 -5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.496 3.129 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.165 2.580 -6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.401 0.583 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.107 -0.102 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.021 1.627 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.923 2.883 -4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.791 1.170 -5.377 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.111 1.728 -3.830 1.00 0.00 H new ATOM 925 N THR A 58 0.714 3.724 -6.696 1.00 0.00 N ATOM 926 CA THR A 58 1.397 4.961 -6.391 1.00 0.00 C ATOM 927 C THR A 58 0.585 5.820 -5.434 1.00 0.00 C ATOM 928 O THR A 58 -0.641 5.924 -5.548 1.00 0.00 O ATOM 929 CB THR A 58 1.707 5.751 -7.677 1.00 0.00 C ATOM 930 OG1 THR A 58 0.578 5.720 -8.567 1.00 0.00 O ATOM 931 CG2 THR A 58 2.930 5.179 -8.375 1.00 0.00 C ATOM 0 H THR A 58 0.043 3.790 -7.462 1.00 0.00 H new ATOM 0 HA THR A 58 2.337 4.702 -5.905 1.00 0.00 H new ATOM 0 HB THR A 58 1.913 6.785 -7.400 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.788 6.227 -9.379 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.132 5.750 -9.281 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.790 5.238 -7.708 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.745 4.137 -8.637 1.00 0.00 H new ATOM 939 N LEU A 59 1.274 6.423 -4.485 1.00 0.00 N ATOM 940 CA LEU A 59 0.632 7.247 -3.479 1.00 0.00 C ATOM 941 C LEU A 59 1.301 8.609 -3.408 1.00 0.00 C ATOM 942 O LEU A 59 2.497 8.739 -3.669 1.00 0.00 O ATOM 943 CB LEU A 59 0.700 6.566 -2.105 1.00 0.00 C ATOM 944 CG LEU A 59 0.011 5.203 -2.010 1.00 0.00 C ATOM 945 CD1 LEU A 59 0.276 4.571 -0.656 1.00 0.00 C ATOM 946 CD2 LEU A 59 -1.483 5.342 -2.240 1.00 0.00 C ATOM 0 H LEU A 59 2.287 6.357 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.413 7.377 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.748 6.444 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.253 7.232 -1.367 1.00 0.00 H new ATOM 0 HG LEU A 59 0.422 4.556 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.220 3.602 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.349 4.437 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.110 5.220 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.955 4.362 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.907 6.005 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.661 5.759 -3.231 1.00 0.00 H new ATOM 958 N SER A 60 0.522 9.626 -3.094 1.00 0.00 N ATOM 959 CA SER A 60 1.073 10.933 -2.797 1.00 0.00 C ATOM 960 C SER A 60 1.628 10.915 -1.380 1.00 0.00 C ATOM 961 O SER A 60 1.170 10.133 -0.544 1.00 0.00 O ATOM 962 CB SER A 60 -0.004 12.017 -2.944 1.00 0.00 C ATOM 963 OG SER A 60 0.497 13.295 -2.583 1.00 0.00 O ATOM 0 H SER A 60 -0.495 9.572 -3.038 1.00 0.00 H new ATOM 0 HA SER A 60 1.873 11.165 -3.500 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.360 12.041 -3.974 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.860 11.769 -2.317 1.00 0.00 H new ATOM 0 HG SER A 60 -0.210 13.965 -2.688 1.00 0.00 H new ATOM 969 N ASN A 61 2.613 11.760 -1.111 1.00 0.00 N ATOM 970 CA ASN A 61 3.229 11.829 0.213 1.00 0.00 C ATOM 971 C ASN A 61 2.180 12.126 1.280 1.00 0.00 C ATOM 972 O ASN A 61 2.271 11.654 2.416 1.00 0.00 O ATOM 973 CB ASN A 61 4.324 12.901 0.243 1.00 0.00 C ATOM 974 CG ASN A 61 5.449 12.622 -0.738 1.00 0.00 C ATOM 975 OD1 ASN A 61 5.758 11.470 -1.043 1.00 0.00 O ATOM 976 ND2 ASN A 61 6.061 13.678 -1.248 1.00 0.00 N ATOM 0 H ASN A 61 3.006 12.410 -1.792 1.00 0.00 H new ATOM 0 HA ASN A 61 3.680 10.860 0.427 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.882 13.871 0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.735 12.966 1.251 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.818 13.553 -1.920 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.775 14.617 -0.970 1.00 0.00 H new ATOM 983 N GLU A 62 1.167 12.894 0.896 1.00 0.00 N ATOM 984 CA GLU A 62 0.082 13.243 1.799 1.00 0.00 C ATOM 985 C GLU A 62 -0.828 12.041 2.036 1.00 0.00 C ATOM 986 O GLU A 62 -1.205 11.749 3.173 1.00 0.00 O ATOM 987 CB GLU A 62 -0.716 14.414 1.222 1.00 0.00 C ATOM 988 CG GLU A 62 -1.841 14.892 2.123 1.00 0.00 C ATOM 989 CD GLU A 62 -2.546 16.112 1.571 1.00 0.00 C ATOM 990 OE1 GLU A 62 -3.453 15.951 0.730 1.00 0.00 O ATOM 991 OE2 GLU A 62 -2.190 17.238 1.976 1.00 0.00 O ATOM 0 H GLU A 62 1.076 13.288 -0.041 1.00 0.00 H new ATOM 0 HA GLU A 62 0.505 13.541 2.758 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.037 15.245 1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.134 14.118 0.260 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.564 14.087 2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.439 15.124 3.109 1.00 0.00 H new ATOM 998 N GLU A 63 -1.166 11.336 0.960 1.00 0.00 N ATOM 999 CA GLU A 63 -2.008 10.146 1.055 1.00 0.00 C ATOM 1000 C GLU A 63 -1.303 9.078 1.879 1.00 0.00 C ATOM 1001 O GLU A 63 -1.920 8.387 2.693 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.312 9.591 -0.337 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.888 10.617 -1.297 1.00 0.00 C ATOM 1004 CD GLU A 63 -3.099 10.049 -2.685 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -2.138 9.484 -3.251 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -4.224 10.159 -3.217 1.00 0.00 O ATOM 0 H GLU A 63 -0.870 11.568 0.012 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.944 10.425 1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.395 9.184 -0.763 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.014 8.763 -0.242 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.838 10.982 -0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.217 11.474 -1.355 1.00 0.00 H new ATOM 1013 N PHE A 64 0.001 8.964 1.655 1.00 0.00 N ATOM 1014 CA PHE A 64 0.836 8.020 2.378 1.00 0.00 C ATOM 1015 C PHE A 64 0.787 8.309 3.876 1.00 0.00 C ATOM 1016 O PHE A 64 0.484 7.425 4.675 1.00 0.00 O ATOM 1017 CB PHE A 64 2.272 8.106 1.864 1.00 0.00 C ATOM 1018 CG PHE A 64 3.131 6.937 2.249 1.00 0.00 C ATOM 1019 CD1 PHE A 64 3.109 5.775 1.495 1.00 0.00 C ATOM 1020 CD2 PHE A 64 3.967 7.002 3.350 1.00 0.00 C ATOM 1021 CE1 PHE A 64 3.905 4.698 1.834 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.767 5.929 3.692 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.734 4.778 2.933 1.00 0.00 C ATOM 0 H PHE A 64 0.506 9.524 0.968 1.00 0.00 H new ATOM 0 HA PHE A 64 0.460 7.010 2.212 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.253 8.187 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.729 9.020 2.244 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.462 5.710 0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.994 7.901 3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.878 3.796 1.240 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.417 5.991 4.552 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.358 3.938 3.200 1.00 0.00 H new ATOM 1033 N GLN A 65 1.059 9.557 4.247 1.00 0.00 N ATOM 1034 CA GLN A 65 1.001 9.974 5.644 1.00 0.00 C ATOM 1035 C GLN A 65 -0.394 9.729 6.224 1.00 0.00 C ATOM 1036 O GLN A 65 -0.531 9.340 7.386 1.00 0.00 O ATOM 1037 CB GLN A 65 1.375 11.454 5.769 1.00 0.00 C ATOM 1038 CG GLN A 65 1.276 12.008 7.186 1.00 0.00 C ATOM 1039 CD GLN A 65 2.182 11.294 8.171 1.00 0.00 C ATOM 1040 OE1 GLN A 65 3.338 11.671 8.358 1.00 0.00 O ATOM 1041 NE2 GLN A 65 1.661 10.260 8.814 1.00 0.00 N ATOM 0 H GLN A 65 1.322 10.298 3.598 1.00 0.00 H new ATOM 0 HA GLN A 65 1.717 9.380 6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.394 11.591 5.408 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.725 12.037 5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.528 13.068 7.173 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.244 11.930 7.529 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.698 9.978 8.631 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.223 9.745 9.492 1.00 0.00 H new ATOM 1050 N THR A 66 -1.416 9.947 5.403 1.00 0.00 N ATOM 1051 CA THR A 66 -2.795 9.729 5.818 1.00 0.00 C ATOM 1052 C THR A 66 -3.015 8.289 6.293 1.00 0.00 C ATOM 1053 O THR A 66 -3.537 8.062 7.387 1.00 0.00 O ATOM 1054 CB THR A 66 -3.776 10.058 4.672 1.00 0.00 C ATOM 1055 OG1 THR A 66 -3.673 11.448 4.329 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.209 9.737 5.067 1.00 0.00 C ATOM 0 H THR A 66 -1.313 10.276 4.443 1.00 0.00 H new ATOM 0 HA THR A 66 -2.991 10.401 6.653 1.00 0.00 H new ATOM 0 HB THR A 66 -3.511 9.444 3.811 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.804 11.618 3.910 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.877 9.979 4.240 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.293 8.676 5.303 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.486 10.326 5.942 1.00 0.00 H new ATOM 1064 N MET A 67 -2.599 7.317 5.485 1.00 0.00 N ATOM 1065 CA MET A 67 -2.790 5.919 5.839 1.00 0.00 C ATOM 1066 C MET A 67 -1.863 5.520 6.985 1.00 0.00 C ATOM 1067 O MET A 67 -2.238 4.711 7.825 1.00 0.00 O ATOM 1068 CB MET A 67 -2.612 5.004 4.613 1.00 0.00 C ATOM 1069 CG MET A 67 -1.189 4.889 4.080 1.00 0.00 C ATOM 1070 SD MET A 67 -0.201 3.668 4.967 1.00 0.00 S ATOM 1071 CE MET A 67 1.304 3.688 4.000 1.00 0.00 C ATOM 0 H MET A 67 -2.133 7.472 4.591 1.00 0.00 H new ATOM 0 HA MET A 67 -3.815 5.792 6.186 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.966 4.006 4.872 1.00 0.00 H new ATOM 0 HB3 MET A 67 -3.253 5.371 3.811 1.00 0.00 H new ATOM 0 HG2 MET A 67 -1.223 4.623 3.024 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.702 5.862 4.148 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.642 2.665 3.831 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.114 4.170 3.041 1.00 0.00 H new ATOM 0 HE3 MET A 67 2.075 4.240 4.538 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.669 6.112 7.039 1.00 0.00 N ATOM 1082 CA VAL A 68 0.263 5.848 8.134 1.00 0.00 C ATOM 1083 C VAL A 68 -0.357 6.246 9.469 1.00 0.00 C ATOM 1084 O VAL A 68 -0.398 5.455 10.408 1.00 0.00 O ATOM 1085 CB VAL A 68 1.602 6.597 7.949 1.00 0.00 C ATOM 1086 CG1 VAL A 68 2.482 6.460 9.184 1.00 0.00 C ATOM 1087 CG2 VAL A 68 2.334 6.080 6.722 1.00 0.00 C ATOM 0 H VAL A 68 -0.327 6.773 6.342 1.00 0.00 H new ATOM 0 HA VAL A 68 0.468 4.778 8.126 1.00 0.00 H new ATOM 0 HB VAL A 68 1.379 7.654 7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.417 6.997 9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.965 6.879 10.047 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.694 5.406 9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.275 6.618 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.537 5.016 6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.716 6.235 5.838 1.00 0.00 H new ATOM 1097 N ASP A 69 -0.855 7.472 9.530 1.00 0.00 N ATOM 1098 CA ASP A 69 -1.508 7.985 10.730 1.00 0.00 C ATOM 1099 C ASP A 69 -2.704 7.116 11.105 1.00 0.00 C ATOM 1100 O ASP A 69 -2.893 6.758 12.273 1.00 0.00 O ATOM 1101 CB ASP A 69 -1.949 9.432 10.489 1.00 0.00 C ATOM 1102 CG ASP A 69 -2.917 9.952 11.533 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -2.475 10.312 12.646 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -4.124 10.025 11.236 1.00 0.00 O ATOM 0 H ASP A 69 -0.820 8.136 8.757 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.802 7.959 11.560 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.068 10.073 10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.415 9.502 9.506 1.00 0.00 H new ATOM 1109 N ALA A 70 -3.487 6.754 10.103 1.00 0.00 N ATOM 1110 CA ALA A 70 -4.685 5.962 10.321 1.00 0.00 C ATOM 1111 C ALA A 70 -4.355 4.537 10.776 1.00 0.00 C ATOM 1112 O ALA A 70 -4.963 4.034 11.717 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.531 5.942 9.063 1.00 0.00 C ATOM 0 H ALA A 70 -3.314 6.997 9.128 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.253 6.431 11.125 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.427 5.346 9.236 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.818 6.960 8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.957 5.505 8.246 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.391 3.894 10.120 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.027 2.513 10.455 1.00 0.00 C ATOM 1121 C PHE A 71 -2.234 2.428 11.758 1.00 0.00 C ATOM 1122 O PHE A 71 -2.217 1.388 12.406 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.236 1.856 9.319 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.069 1.561 8.107 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.335 1.010 8.234 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -2.583 1.828 6.840 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -5.099 0.736 7.116 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -3.341 1.556 5.722 1.00 0.00 C ATOM 1129 CZ PHE A 71 -4.601 1.009 5.859 1.00 0.00 C ATOM 0 H PHE A 71 -2.849 4.301 9.358 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.962 1.970 10.594 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.412 2.510 9.034 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.795 0.928 9.683 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.728 0.793 9.216 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.598 2.255 6.726 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.085 0.309 7.226 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.949 1.771 4.739 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.196 0.795 4.983 1.00 0.00 H new ATOM 1139 N LYS A 72 -1.565 3.508 12.128 1.00 0.00 N ATOM 1140 CA LYS A 72 -0.876 3.561 13.412 1.00 0.00 C ATOM 1141 C LYS A 72 -1.890 3.744 14.539 1.00 0.00 C ATOM 1142 O LYS A 72 -1.651 3.344 15.682 1.00 0.00 O ATOM 1143 CB LYS A 72 0.170 4.683 13.403 1.00 0.00 C ATOM 1144 CG LYS A 72 0.757 5.013 14.765 1.00 0.00 C ATOM 1145 CD LYS A 72 1.901 6.007 14.639 1.00 0.00 C ATOM 1146 CE LYS A 72 2.373 6.502 15.995 1.00 0.00 C ATOM 1147 NZ LYS A 72 1.355 7.359 16.660 1.00 0.00 N ATOM 0 H LYS A 72 -1.483 4.354 11.565 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.352 2.621 13.583 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.981 4.400 12.732 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.286 5.583 12.991 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.019 5.426 15.409 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.114 4.100 15.242 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.733 5.538 14.114 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.580 6.855 14.034 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.601 5.648 16.633 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.298 7.066 15.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.823 7.988 17.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.862 7.930 15.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.667 6.758 17.158 1.00 0.00 H new ATOM 1161 N GLY A 73 -3.032 4.339 14.201 1.00 0.00 N ATOM 1162 CA GLY A 73 -4.109 4.490 15.160 1.00 0.00 C ATOM 1163 C GLY A 73 -5.012 3.267 15.205 1.00 0.00 C ATOM 1164 O GLY A 73 -5.306 2.739 16.279 1.00 0.00 O ATOM 0 H GLY A 73 -3.229 4.720 13.276 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.690 4.667 16.150 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.702 5.368 14.903 1.00 0.00 H new ATOM 1168 N ASN A 74 -5.457 2.822 14.037 1.00 0.00 N ATOM 1169 CA ASN A 74 -6.296 1.630 13.933 1.00 0.00 C ATOM 1170 C ASN A 74 -5.422 0.394 13.755 1.00 0.00 C ATOM 1171 O ASN A 74 -4.216 0.464 13.962 1.00 0.00 O ATOM 1172 CB ASN A 74 -7.284 1.746 12.762 1.00 0.00 C ATOM 1173 CG ASN A 74 -8.438 2.697 13.035 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -8.180 3.769 13.771 1.00 0.00 O flip ATOM 1175 ND2 ASN A 74 -9.557 2.472 12.579 1.00 0.00 N flip ATOM 0 H ASN A 74 -5.251 3.269 13.144 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.871 1.538 14.854 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.747 2.084 11.876 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.684 0.758 12.535 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.720 1.637 12.016 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.323 3.120 12.763 1.00 0.00 H new ATOM 1182 N LEU A 75 -6.040 -0.732 13.387 1.00 0.00 N ATOM 1183 CA LEU A 75 -5.322 -1.992 13.179 1.00 0.00 C ATOM 1184 C LEU A 75 -4.447 -2.305 14.399 1.00 0.00 C ATOM 1185 O LEU A 75 -4.793 -1.913 15.517 1.00 0.00 O ATOM 1186 CB LEU A 75 -4.494 -1.929 11.881 1.00 0.00 C ATOM 1187 CG LEU A 75 -3.991 -3.281 11.354 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -5.148 -4.248 11.167 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -3.248 -3.096 10.042 1.00 0.00 C ATOM 0 H LEU A 75 -7.045 -0.796 13.226 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.041 -2.803 13.068 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.100 -1.459 11.106 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.634 -1.281 12.050 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.305 -3.699 12.090 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.770 -5.200 10.793 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.648 -4.406 12.123 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.857 -3.833 10.451 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.898 -4.064 9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.918 -2.655 9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.394 -2.436 10.197 1.00 0.00 H new ATOM 1201 N GLU A 76 -3.342 -3.031 14.194 1.00 0.00 N ATOM 1202 CA GLU A 76 -2.455 -3.417 15.293 1.00 0.00 C ATOM 1203 C GLU A 76 -3.254 -4.197 16.343 1.00 0.00 C ATOM 1204 O GLU A 76 -2.917 -4.230 17.525 1.00 0.00 O ATOM 1205 CB GLU A 76 -1.796 -2.158 15.891 1.00 0.00 C ATOM 1206 CG GLU A 76 -0.698 -2.428 16.910 1.00 0.00 C ATOM 1207 CD GLU A 76 0.493 -3.148 16.314 1.00 0.00 C ATOM 1208 OE1 GLU A 76 1.085 -2.630 15.345 1.00 0.00 O ATOM 1209 OE2 GLU A 76 0.867 -4.219 16.837 1.00 0.00 O ATOM 0 H GLU A 76 -3.042 -3.362 13.277 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.660 -4.066 14.927 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.378 -1.564 15.078 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.569 -1.552 16.364 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.367 -1.482 17.340 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.105 -3.024 17.727 1.00 0.00 H new ATOM 1451 N THR B 8 -15.902 -14.578 -8.525 1.00 0.00 N ATOM 1452 CA THR B 8 -16.746 -13.724 -7.709 1.00 0.00 C ATOM 1453 C THR B 8 -15.899 -13.018 -6.657 1.00 0.00 C ATOM 1454 O THR B 8 -14.976 -13.609 -6.097 1.00 0.00 O ATOM 1455 CB THR B 8 -17.891 -14.527 -7.038 1.00 0.00 C ATOM 1456 OG1 THR B 8 -18.671 -13.682 -6.179 1.00 0.00 O ATOM 1457 CG2 THR B 8 -17.348 -15.705 -6.236 1.00 0.00 C ATOM 0 HA THR B 8 -17.208 -12.980 -8.358 1.00 0.00 H new ATOM 0 HB THR B 8 -18.526 -14.912 -7.836 1.00 0.00 H new ATOM 0 HG1 THR B 8 -19.389 -14.207 -5.767 1.00 0.00 H new ATOM 0 HG21 THR B 8 -18.176 -16.247 -5.779 1.00 0.00 H new ATOM 0 HG22 THR B 8 -16.799 -16.374 -6.899 1.00 0.00 H new ATOM 0 HG23 THR B 8 -16.680 -15.338 -5.457 1.00 0.00 H new ATOM 1465 N PHE B 9 -16.187 -11.748 -6.424 1.00 0.00 N ATOM 1466 CA PHE B 9 -15.444 -10.967 -5.451 1.00 0.00 C ATOM 1467 C PHE B 9 -16.316 -9.849 -4.909 1.00 0.00 C ATOM 1468 O PHE B 9 -17.117 -9.268 -5.643 1.00 0.00 O ATOM 1469 CB PHE B 9 -14.147 -10.402 -6.061 1.00 0.00 C ATOM 1470 CG PHE B 9 -14.340 -9.615 -7.331 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -14.347 -10.255 -8.561 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -14.511 -8.239 -7.296 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -14.522 -9.540 -9.729 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -14.686 -7.520 -8.462 1.00 0.00 C ATOM 1475 CZ PHE B 9 -14.694 -8.171 -9.681 1.00 0.00 C ATOM 0 H PHE B 9 -16.932 -11.236 -6.897 1.00 0.00 H new ATOM 0 HA PHE B 9 -15.160 -11.623 -4.628 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -13.663 -9.762 -5.323 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -13.466 -11.229 -6.262 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -14.214 -11.326 -8.606 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -14.507 -7.724 -6.347 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -14.524 -10.052 -10.680 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -14.817 -6.449 -8.421 1.00 0.00 H new ATOM 0 HZ PHE B 9 -14.834 -7.610 -10.593 1.00 0.00 H new ATOM 1485 N GLU B 10 -16.177 -9.567 -3.624 1.00 0.00 N ATOM 1486 CA GLU B 10 -16.999 -8.547 -2.986 1.00 0.00 C ATOM 1487 C GLU B 10 -16.197 -7.783 -1.934 1.00 0.00 C ATOM 1488 O GLU B 10 -15.255 -8.321 -1.346 1.00 0.00 O ATOM 1489 CB GLU B 10 -18.237 -9.199 -2.355 1.00 0.00 C ATOM 1490 CG GLU B 10 -19.238 -8.213 -1.771 1.00 0.00 C ATOM 1491 CD GLU B 10 -19.667 -7.156 -2.768 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -20.433 -7.479 -3.700 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -19.231 -5.995 -2.626 1.00 0.00 O ATOM 0 H GLU B 10 -15.509 -10.025 -3.004 1.00 0.00 H new ATOM 0 HA GLU B 10 -17.322 -7.833 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -18.739 -9.803 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -17.913 -9.879 -1.567 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -20.117 -8.756 -1.423 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -18.798 -7.728 -0.900 1.00 0.00 H new ATOM 1500 N ILE B 11 -16.566 -6.525 -1.711 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.912 -5.704 -0.701 1.00 0.00 C ATOM 1502 C ILE B 11 -16.385 -6.129 0.683 1.00 0.00 C ATOM 1503 O ILE B 11 -17.542 -5.916 1.050 1.00 0.00 O ATOM 1504 CB ILE B 11 -16.177 -4.185 -0.897 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -15.590 -3.678 -2.222 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -15.595 -3.389 0.266 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -16.403 -4.041 -3.449 1.00 0.00 C ATOM 0 H ILE B 11 -17.315 -6.053 -2.217 1.00 0.00 H new ATOM 0 HA ILE B 11 -14.838 -5.859 -0.804 1.00 0.00 H new ATOM 0 HB ILE B 11 -17.257 -4.041 -0.927 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -15.496 -2.593 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -14.583 -4.080 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -15.789 -2.327 0.113 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -16.060 -3.713 1.197 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -14.519 -3.557 0.320 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -15.916 -3.643 -4.339 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -16.476 -5.126 -3.529 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -17.403 -3.615 -3.362 1.00 0.00 H new ATOM 1519 N GLU B 12 -15.489 -6.750 1.427 1.00 0.00 N ATOM 1520 CA GLU B 12 -15.802 -7.287 2.738 1.00 0.00 C ATOM 1521 C GLU B 12 -15.770 -6.192 3.802 1.00 0.00 C ATOM 1522 O GLU B 12 -16.666 -6.100 4.641 1.00 0.00 O ATOM 1523 CB GLU B 12 -14.788 -8.378 3.068 1.00 0.00 C ATOM 1524 CG GLU B 12 -15.410 -9.707 3.441 1.00 0.00 C ATOM 1525 CD GLU B 12 -16.045 -9.684 4.812 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -15.298 -9.709 5.813 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -17.290 -9.646 4.894 1.00 0.00 O ATOM 0 H GLU B 12 -14.522 -6.897 1.139 1.00 0.00 H new ATOM 0 HA GLU B 12 -16.810 -7.703 2.727 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -14.134 -8.524 2.208 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -14.160 -8.039 3.892 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -16.163 -9.973 2.700 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -14.646 -10.483 3.411 1.00 0.00 H new ATOM 1534 N GLU B 13 -14.736 -5.363 3.754 1.00 0.00 N ATOM 1535 CA GLU B 13 -14.534 -4.322 4.756 1.00 0.00 C ATOM 1536 C GLU B 13 -13.568 -3.268 4.233 1.00 0.00 C ATOM 1537 O GLU B 13 -12.413 -3.572 3.945 1.00 0.00 O ATOM 1538 CB GLU B 13 -13.989 -4.947 6.046 1.00 0.00 C ATOM 1539 CG GLU B 13 -13.654 -3.948 7.140 1.00 0.00 C ATOM 1540 CD GLU B 13 -13.112 -4.622 8.387 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -11.885 -4.858 8.463 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -13.909 -4.929 9.298 1.00 0.00 O ATOM 0 H GLU B 13 -14.020 -5.391 3.028 1.00 0.00 H new ATOM 0 HA GLU B 13 -15.489 -3.841 4.968 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -14.724 -5.654 6.430 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -13.092 -5.518 5.807 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -12.919 -3.235 6.766 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -14.548 -3.379 7.396 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.028 -2.032 4.101 1.00 0.00 N ATOM 1550 CA HIS B 14 -13.154 -0.966 3.633 1.00 0.00 C ATOM 1551 C HIS B 14 -12.455 -0.318 4.820 1.00 0.00 C ATOM 1552 O HIS B 14 -13.095 0.170 5.750 1.00 0.00 O ATOM 1553 CB HIS B 14 -13.906 0.073 2.772 1.00 0.00 C ATOM 1554 CG HIS B 14 -14.949 0.879 3.488 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -14.758 2.195 3.859 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -16.209 0.566 3.870 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -15.853 2.649 4.440 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -16.747 1.682 4.458 1.00 0.00 N ATOM 0 H HIS B 14 -14.985 -1.745 4.307 1.00 0.00 H new ATOM 0 HA HIS B 14 -12.400 -1.405 2.980 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -13.175 0.758 2.342 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -14.382 -0.447 1.941 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -16.700 -0.387 3.736 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -15.992 3.645 4.834 1.00 0.00 H new ATOM 0 HE2 HIS B 14 -17.688 1.752 4.847 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.133 -0.344 4.790 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.327 0.088 5.923 1.00 0.00 C ATOM 1569 C LEU B 15 -9.947 1.554 5.817 1.00 0.00 C ATOM 1570 O LEU B 15 -10.183 2.332 6.741 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.060 -0.766 6.017 1.00 0.00 C ATOM 1572 CG LEU B 15 -9.292 -2.241 6.343 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -7.997 -3.028 6.222 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -9.865 -2.382 7.743 1.00 0.00 C ATOM 0 H LEU B 15 -10.590 -0.662 3.987 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.927 -0.039 6.824 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -8.525 -0.700 5.069 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.410 -0.340 6.781 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.007 -2.645 5.626 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.184 -4.075 6.458 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -7.616 -2.948 5.204 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -7.260 -2.625 6.917 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -10.027 -3.437 7.965 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -9.166 -1.962 8.466 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.814 -1.849 7.803 1.00 0.00 H new ATOM 1586 N LEU B 16 -9.370 1.928 4.690 1.00 0.00 N ATOM 1587 CA LEU B 16 -8.847 3.272 4.517 1.00 0.00 C ATOM 1588 C LEU B 16 -9.299 3.865 3.197 1.00 0.00 C ATOM 1589 O LEU B 16 -8.784 3.511 2.138 1.00 0.00 O ATOM 1590 CB LEU B 16 -7.317 3.255 4.567 1.00 0.00 C ATOM 1591 CG LEU B 16 -6.672 4.069 5.694 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -7.010 5.547 5.565 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -7.103 3.541 7.050 1.00 0.00 C ATOM 0 H LEU B 16 -9.251 1.320 3.880 1.00 0.00 H new ATOM 0 HA LEU B 16 -9.233 3.888 5.329 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -6.988 2.220 4.659 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -6.938 3.626 3.615 1.00 0.00 H new ATOM 0 HG LEU B 16 -5.591 3.961 5.608 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -6.539 6.100 6.378 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -6.642 5.922 4.610 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -8.091 5.679 5.615 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -6.634 4.132 7.837 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -8.187 3.612 7.140 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -6.798 2.499 7.149 1.00 0.00 H new ATOM 1605 N THR B 17 -10.276 4.745 3.256 1.00 0.00 N ATOM 1606 CA THR B 17 -10.674 5.500 2.090 1.00 0.00 C ATOM 1607 C THR B 17 -9.769 6.721 1.972 1.00 0.00 C ATOM 1608 O THR B 17 -10.000 7.743 2.614 1.00 0.00 O ATOM 1609 CB THR B 17 -12.151 5.931 2.182 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.971 4.785 2.473 1.00 0.00 O ATOM 1611 CG2 THR B 17 -12.614 6.577 0.881 1.00 0.00 C ATOM 0 H THR B 17 -10.809 4.954 4.100 1.00 0.00 H new ATOM 0 HA THR B 17 -10.574 4.873 1.204 1.00 0.00 H new ATOM 0 HB THR B 17 -12.246 6.665 2.982 1.00 0.00 H new ATOM 0 HG1 THR B 17 -13.909 5.061 2.533 1.00 0.00 H new ATOM 0 HG21 THR B 17 -13.659 6.872 0.973 1.00 0.00 H new ATOM 0 HG22 THR B 17 -12.005 7.458 0.675 1.00 0.00 H new ATOM 0 HG23 THR B 17 -12.509 5.864 0.063 1.00 0.00 H new ATOM 1619 N LEU B 18 -8.712 6.583 1.181 1.00 0.00 N ATOM 1620 CA LEU B 18 -7.670 7.597 1.104 1.00 0.00 C ATOM 1621 C LEU B 18 -8.180 8.868 0.446 1.00 0.00 C ATOM 1622 O LEU B 18 -8.458 9.859 1.124 1.00 0.00 O ATOM 1623 CB LEU B 18 -6.461 7.064 0.331 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.790 5.831 0.936 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.675 5.339 0.034 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -5.245 6.149 2.317 1.00 0.00 C ATOM 0 H LEU B 18 -8.554 5.773 0.581 1.00 0.00 H new ATOM 0 HA LEU B 18 -7.369 7.837 2.124 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -6.777 6.824 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -5.720 7.860 0.255 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.537 5.043 1.028 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -4.208 4.461 0.479 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -5.085 5.077 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.930 6.125 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.770 5.261 2.734 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -4.511 6.952 2.243 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -6.062 6.463 2.967 1.00 0.00 H new ATOM 1638 N SER B 19 -8.319 8.828 -0.871 1.00 0.00 N ATOM 1639 CA SER B 19 -8.689 10.011 -1.637 1.00 0.00 C ATOM 1640 C SER B 19 -8.992 9.646 -3.082 1.00 0.00 C ATOM 1641 O SER B 19 -8.777 8.505 -3.500 1.00 0.00 O ATOM 1642 CB SER B 19 -7.556 11.046 -1.571 1.00 0.00 C ATOM 1643 OG SER B 19 -6.287 10.412 -1.465 1.00 0.00 O ATOM 0 H SER B 19 -8.181 7.988 -1.433 1.00 0.00 H new ATOM 0 HA SER B 19 -9.591 10.442 -1.203 1.00 0.00 H new ATOM 0 HB2 SER B 19 -7.579 11.672 -2.463 1.00 0.00 H new ATOM 0 HB3 SER B 19 -7.710 11.704 -0.715 1.00 0.00 H new ATOM 0 HG SER B 19 -5.796 10.521 -2.306 1.00 0.00 H new ATOM 1649 N GLU B 20 -9.505 10.604 -3.840 1.00 0.00 N ATOM 1650 CA GLU B 20 -9.748 10.382 -5.250 1.00 0.00 C ATOM 1651 C GLU B 20 -8.785 11.214 -6.089 1.00 0.00 C ATOM 1652 O GLU B 20 -8.477 12.366 -5.770 1.00 0.00 O ATOM 1653 CB GLU B 20 -11.208 10.670 -5.623 1.00 0.00 C ATOM 1654 CG GLU B 20 -11.634 12.111 -5.425 1.00 0.00 C ATOM 1655 CD GLU B 20 -13.094 12.337 -5.771 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -13.418 12.416 -6.975 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -13.921 12.442 -4.845 1.00 0.00 O ATOM 0 H GLU B 20 -9.758 11.533 -3.503 1.00 0.00 H new ATOM 0 HA GLU B 20 -9.567 9.329 -5.464 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -11.363 10.398 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -11.856 10.027 -5.027 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -11.461 12.399 -4.388 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -11.013 12.759 -6.044 1.00 0.00 H new ATOM 1664 N ASN B 21 -8.302 10.597 -7.150 1.00 0.00 N ATOM 1665 CA ASN B 21 -7.309 11.187 -8.027 1.00 0.00 C ATOM 1666 C ASN B 21 -7.980 12.124 -9.020 1.00 0.00 C ATOM 1667 O ASN B 21 -9.192 12.037 -9.226 1.00 0.00 O ATOM 1668 CB ASN B 21 -6.542 10.091 -8.783 1.00 0.00 C ATOM 1669 CG ASN B 21 -5.858 9.091 -7.860 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -4.709 9.275 -7.462 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -6.561 8.020 -7.521 1.00 0.00 N ATOM 0 H ASN B 21 -8.592 9.660 -7.431 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.604 11.754 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -7.233 9.558 -9.437 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -5.792 10.557 -9.423 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -6.151 7.314 -6.910 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -7.512 7.902 -7.871 1.00 0.00 H new ATOM 1678 N GLU B 22 -7.166 12.963 -9.660 1.00 0.00 N ATOM 1679 CA GLU B 22 -7.629 14.052 -10.533 1.00 0.00 C ATOM 1680 C GLU B 22 -8.738 13.640 -11.509 1.00 0.00 C ATOM 1681 O GLU B 22 -9.660 14.412 -11.757 1.00 0.00 O ATOM 1682 CB GLU B 22 -6.440 14.620 -11.312 1.00 0.00 C ATOM 1683 CG GLU B 22 -5.667 13.569 -12.095 1.00 0.00 C ATOM 1684 CD GLU B 22 -4.552 14.160 -12.929 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -4.819 14.561 -14.079 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -3.401 14.208 -12.445 1.00 0.00 O ATOM 0 H GLU B 22 -6.150 12.908 -9.588 1.00 0.00 H new ATOM 0 HA GLU B 22 -8.065 14.808 -9.880 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -6.800 15.383 -12.002 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -5.762 15.114 -10.615 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.248 12.841 -11.401 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -6.355 13.029 -12.746 1.00 0.00 H new ATOM 1693 N LYS B 23 -8.660 12.430 -12.054 1.00 0.00 N ATOM 1694 CA LYS B 23 -9.636 11.982 -13.046 1.00 0.00 C ATOM 1695 C LYS B 23 -10.919 11.476 -12.383 1.00 0.00 C ATOM 1696 O LYS B 23 -11.759 10.858 -13.031 1.00 0.00 O ATOM 1697 CB LYS B 23 -9.039 10.876 -13.921 1.00 0.00 C ATOM 1698 CG LYS B 23 -7.826 11.302 -14.736 1.00 0.00 C ATOM 1699 CD LYS B 23 -8.130 12.495 -15.628 1.00 0.00 C ATOM 1700 CE LYS B 23 -7.012 12.741 -16.629 1.00 0.00 C ATOM 1701 NZ LYS B 23 -5.689 12.916 -15.972 1.00 0.00 N ATOM 0 H LYS B 23 -7.938 11.746 -11.829 1.00 0.00 H new ATOM 0 HA LYS B 23 -9.888 12.841 -13.668 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -8.757 10.038 -13.283 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -9.809 10.513 -14.602 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -7.006 11.552 -14.062 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -7.490 10.466 -15.350 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -9.065 12.324 -16.161 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -8.271 13.384 -15.013 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -6.961 11.904 -17.325 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -7.243 13.630 -17.216 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -4.976 13.165 -16.687 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -5.750 13.677 -15.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -5.414 12.029 -15.503 1.00 0.00 H new ATOM 1715 N GLY B 24 -11.061 11.743 -11.093 1.00 0.00 N ATOM 1716 CA GLY B 24 -12.213 11.272 -10.354 1.00 0.00 C ATOM 1717 C GLY B 24 -12.079 9.810 -9.982 1.00 0.00 C ATOM 1718 O GLY B 24 -13.069 9.136 -9.711 1.00 0.00 O ATOM 0 H GLY B 24 -10.393 12.282 -10.542 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -12.334 11.868 -9.450 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -13.113 11.414 -10.953 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.844 9.332 -9.940 1.00 0.00 N ATOM 1723 CA TRP B 25 -10.576 7.913 -9.702 1.00 0.00 C ATOM 1724 C TRP B 25 -10.337 7.652 -8.226 1.00 0.00 C ATOM 1725 O TRP B 25 -9.485 8.282 -7.621 1.00 0.00 O ATOM 1726 CB TRP B 25 -9.357 7.459 -10.506 1.00 0.00 C ATOM 1727 CG TRP B 25 -9.650 7.182 -11.948 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -10.393 7.944 -12.804 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -9.195 6.059 -12.707 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -10.434 7.357 -14.045 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -9.702 6.200 -14.011 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -8.407 4.944 -12.408 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -9.443 5.272 -15.013 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -8.153 4.024 -13.404 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -8.668 4.191 -14.693 1.00 0.00 C ATOM 0 H TRP B 25 -10.008 9.903 -10.067 1.00 0.00 H new ATOM 0 HA TRP B 25 -11.450 7.346 -10.024 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -8.586 8.227 -10.443 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -8.948 6.558 -10.049 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -10.878 8.873 -12.543 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -10.929 7.723 -14.859 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -8.004 4.805 -11.415 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -9.840 5.400 -16.009 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -7.545 3.159 -13.184 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -8.450 3.453 -15.450 1.00 0.00 H new ATOM 1746 N THR B 26 -11.044 6.703 -7.654 1.00 0.00 N ATOM 1747 CA THR B 26 -10.971 6.488 -6.222 1.00 0.00 C ATOM 1748 C THR B 26 -9.813 5.566 -5.874 1.00 0.00 C ATOM 1749 O THR B 26 -9.580 4.561 -6.542 1.00 0.00 O ATOM 1750 CB THR B 26 -12.284 5.890 -5.694 1.00 0.00 C ATOM 1751 OG1 THR B 26 -13.118 5.507 -6.800 1.00 0.00 O ATOM 1752 CG2 THR B 26 -13.021 6.887 -4.814 1.00 0.00 C ATOM 0 H THR B 26 -11.672 6.071 -8.151 1.00 0.00 H new ATOM 0 HA THR B 26 -10.807 7.456 -5.748 1.00 0.00 H new ATOM 0 HB THR B 26 -12.047 5.013 -5.092 1.00 0.00 H new ATOM 0 HG1 THR B 26 -13.407 4.578 -6.686 1.00 0.00 H new ATOM 0 HG21 THR B 26 -13.947 6.439 -4.453 1.00 0.00 H new ATOM 0 HG22 THR B 26 -12.393 7.156 -3.965 1.00 0.00 H new ATOM 0 HG23 THR B 26 -13.252 7.782 -5.392 1.00 0.00 H new ATOM 1760 N LYS B 27 -9.092 5.916 -4.826 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.964 5.125 -4.377 1.00 0.00 C ATOM 1762 C LYS B 27 -8.126 4.829 -2.897 1.00 0.00 C ATOM 1763 O LYS B 27 -8.167 5.748 -2.066 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.657 5.867 -4.660 1.00 0.00 C ATOM 1765 CG LYS B 27 -5.412 5.042 -4.393 1.00 0.00 C ATOM 1766 CD LYS B 27 -4.181 5.689 -5.009 1.00 0.00 C ATOM 1767 CE LYS B 27 -3.937 7.079 -4.448 1.00 0.00 C ATOM 1768 NZ LYS B 27 -2.802 7.761 -5.121 1.00 0.00 N ATOM 0 H LYS B 27 -9.270 6.750 -4.266 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.929 4.180 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -6.651 6.189 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -6.622 6.768 -4.048 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -5.269 4.932 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.542 4.040 -4.801 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.309 5.063 -4.822 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -4.304 5.749 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -4.840 7.679 -4.562 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -3.735 7.008 -3.379 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -2.484 8.562 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -2.017 7.090 -5.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -3.109 8.110 -6.051 1.00 0.00 H new ATOM 1782 N GLU B 28 -8.237 3.550 -2.576 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.622 3.136 -1.241 1.00 0.00 C ATOM 1784 C GLU B 28 -7.958 1.826 -0.833 1.00 0.00 C ATOM 1785 O GLU B 28 -7.308 1.149 -1.636 1.00 0.00 O ATOM 1786 CB GLU B 28 -10.143 2.981 -1.170 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.700 2.004 -2.195 1.00 0.00 C ATOM 1788 CD GLU B 28 -12.203 1.880 -2.121 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -12.901 2.717 -2.724 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -12.692 0.931 -1.473 1.00 0.00 O ATOM 0 H GLU B 28 -8.065 2.781 -3.224 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.288 3.908 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -10.420 2.645 -0.171 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.607 3.956 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.415 2.330 -3.195 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.250 1.024 -2.039 1.00 0.00 H new ATOM 1797 N ILE B 29 -8.142 1.489 0.432 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.623 0.269 1.013 1.00 0.00 C ATOM 1799 C ILE B 29 -8.763 -0.523 1.647 1.00 0.00 C ATOM 1800 O ILE B 29 -9.495 0.009 2.488 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.558 0.600 2.076 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.282 1.111 1.399 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -6.270 -0.610 2.943 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.233 1.625 2.361 1.00 0.00 C ATOM 0 H ILE B 29 -8.664 2.066 1.092 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.161 -0.331 0.229 1.00 0.00 H new ATOM 0 HB ILE B 29 -6.942 1.387 2.725 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.851 0.305 0.806 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.546 1.910 0.706 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -5.515 -0.354 3.686 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -7.185 -0.922 3.447 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.903 -1.425 2.320 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.363 1.967 1.801 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.643 2.454 2.937 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -3.937 0.824 3.038 1.00 0.00 H new ATOM 1816 N ASN B 30 -8.917 -1.789 1.269 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.072 -2.559 1.719 1.00 0.00 C ATOM 1818 C ASN B 30 -9.799 -4.061 1.746 1.00 0.00 C ATOM 1819 O ASN B 30 -8.742 -4.526 1.324 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.294 -2.267 0.831 1.00 0.00 C ATOM 1821 CG ASN B 30 -11.231 -2.897 -0.559 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -10.035 -3.067 -1.107 1.00 0.00 O flip ATOM 1823 ND2 ASN B 30 -12.261 -3.221 -1.141 1.00 0.00 N flip ATOM 0 H ASN B 30 -8.270 -2.295 0.664 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.280 -2.245 2.742 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -12.190 -2.625 1.338 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -11.399 -1.188 0.723 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -13.166 -3.078 -0.693 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -12.212 -3.634 -2.072 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.764 -4.793 2.285 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.764 -6.247 2.275 1.00 0.00 C ATOM 1832 C ARG B 31 -11.680 -6.755 1.178 1.00 0.00 C ATOM 1833 O ARG B 31 -12.838 -6.344 1.099 1.00 0.00 O ATOM 1834 CB ARG B 31 -11.251 -6.790 3.620 1.00 0.00 C ATOM 1835 CG ARG B 31 -10.207 -6.769 4.719 1.00 0.00 C ATOM 1836 CD ARG B 31 -10.846 -6.792 6.098 1.00 0.00 C ATOM 1837 NE ARG B 31 -11.879 -7.819 6.244 1.00 0.00 N ATOM 1838 CZ ARG B 31 -12.229 -8.349 7.417 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -11.603 -7.976 8.528 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -13.219 -9.233 7.483 1.00 0.00 N ATOM 0 H ARG B 31 -11.578 -4.388 2.747 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.745 -6.590 2.095 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -12.113 -6.206 3.943 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -11.594 -7.815 3.481 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -9.545 -7.628 4.610 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -9.590 -5.876 4.618 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.071 -6.958 6.846 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -11.284 -5.815 6.304 1.00 0.00 H new ATOM 0 HE ARG B 31 -12.356 -8.147 5.404 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -10.855 -7.284 8.484 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -11.871 -8.381 9.425 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -13.714 -9.508 6.635 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -13.484 -9.636 8.382 1.00 0.00 H new ATOM 1854 N VAL B 32 -11.179 -7.644 0.344 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.992 -8.219 -0.715 1.00 0.00 C ATOM 1856 C VAL B 32 -12.056 -9.735 -0.565 1.00 0.00 C ATOM 1857 O VAL B 32 -11.046 -10.383 -0.284 1.00 0.00 O ATOM 1858 CB VAL B 32 -11.444 -7.864 -2.115 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -12.385 -8.359 -3.205 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -11.215 -6.365 -2.244 1.00 0.00 C ATOM 0 H VAL B 32 -10.218 -7.984 0.376 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.992 -7.796 -0.624 1.00 0.00 H new ATOM 0 HB VAL B 32 -10.484 -8.366 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -11.979 -8.098 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -12.488 -9.442 -3.132 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -13.362 -7.892 -3.082 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -10.829 -6.140 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -12.157 -5.839 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -10.494 -6.041 -1.493 1.00 0.00 H new ATOM 1870 N SER B 33 -13.247 -10.289 -0.719 1.00 0.00 N ATOM 1871 CA SER B 33 -13.424 -11.727 -0.710 1.00 0.00 C ATOM 1872 C SER B 33 -13.257 -12.266 -2.124 1.00 0.00 C ATOM 1873 O SER B 33 -13.962 -11.839 -3.043 1.00 0.00 O ATOM 1874 CB SER B 33 -14.802 -12.081 -0.143 1.00 0.00 C ATOM 1875 OG SER B 33 -15.815 -11.276 -0.724 1.00 0.00 O ATOM 0 H SER B 33 -14.108 -9.759 -0.852 1.00 0.00 H new ATOM 0 HA SER B 33 -12.669 -12.187 -0.072 1.00 0.00 H new ATOM 0 HB2 SER B 33 -15.017 -13.133 -0.331 1.00 0.00 H new ATOM 0 HB3 SER B 33 -14.800 -11.944 0.938 1.00 0.00 H new ATOM 0 HG SER B 33 -16.685 -11.522 -0.347 1.00 0.00 H new ATOM 1881 N PHE B 34 -12.312 -13.179 -2.303 1.00 0.00 N ATOM 1882 CA PHE B 34 -11.978 -13.676 -3.628 1.00 0.00 C ATOM 1883 C PHE B 34 -12.420 -15.119 -3.829 1.00 0.00 C ATOM 1884 O PHE B 34 -11.916 -16.028 -3.173 1.00 0.00 O ATOM 1885 CB PHE B 34 -10.477 -13.555 -3.883 1.00 0.00 C ATOM 1886 CG PHE B 34 -10.003 -12.136 -4.001 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -10.297 -11.388 -5.131 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -9.258 -11.552 -2.990 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -9.859 -10.083 -5.248 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -8.817 -10.248 -3.102 1.00 0.00 C ATOM 1891 CZ PHE B 34 -9.116 -9.513 -4.231 1.00 0.00 C ATOM 0 H PHE B 34 -11.764 -13.590 -1.547 1.00 0.00 H new ATOM 0 HA PHE B 34 -12.520 -13.059 -4.345 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -9.938 -14.044 -3.071 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -10.228 -14.091 -4.799 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -10.875 -11.831 -5.929 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -9.019 -12.122 -2.105 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -10.096 -9.509 -6.132 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -8.238 -9.804 -2.306 1.00 0.00 H new ATOM 0 HZ PHE B 34 -8.770 -8.494 -4.320 1.00 0.00 H new ATOM 1901 N ASN B 35 -13.376 -15.289 -4.746 1.00 0.00 N ATOM 1902 CA ASN B 35 -13.867 -16.598 -5.206 1.00 0.00 C ATOM 1903 C ASN B 35 -14.121 -17.594 -4.073 1.00 0.00 C ATOM 1904 O ASN B 35 -13.971 -18.806 -4.256 1.00 0.00 O ATOM 1905 CB ASN B 35 -12.937 -17.215 -6.269 1.00 0.00 C ATOM 1906 CG ASN B 35 -11.512 -17.458 -5.799 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -11.204 -18.496 -5.210 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -10.622 -16.521 -6.093 1.00 0.00 N ATOM 0 H ASN B 35 -13.843 -14.505 -5.202 1.00 0.00 H new ATOM 0 HA ASN B 35 -14.836 -16.394 -5.663 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -13.363 -18.162 -6.600 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -12.912 -16.556 -7.137 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -9.644 -16.646 -5.831 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -10.915 -15.675 -6.582 1.00 0.00 H new ATOM 1915 N GLY B 36 -14.550 -17.094 -2.927 1.00 0.00 N ATOM 1916 CA GLY B 36 -14.913 -17.975 -1.837 1.00 0.00 C ATOM 1917 C GLY B 36 -14.737 -17.344 -0.473 1.00 0.00 C ATOM 1918 O GLY B 36 -15.065 -16.172 -0.270 1.00 0.00 O ATOM 0 H GLY B 36 -14.654 -16.098 -2.731 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -15.952 -18.281 -1.957 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -14.307 -18.879 -1.892 1.00 0.00 H new ATOM 1922 N ALA B 37 -14.212 -18.128 0.456 1.00 0.00 N ATOM 1923 CA ALA B 37 -14.070 -17.717 1.847 1.00 0.00 C ATOM 1924 C ALA B 37 -12.995 -16.635 2.059 1.00 0.00 C ATOM 1925 O ALA B 37 -13.249 -15.657 2.769 1.00 0.00 O ATOM 1926 CB ALA B 37 -13.784 -18.930 2.725 1.00 0.00 C ATOM 0 H ALA B 37 -13.871 -19.071 0.267 1.00 0.00 H new ATOM 0 HA ALA B 37 -15.019 -17.266 2.137 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -13.680 -18.612 3.762 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -14.607 -19.640 2.644 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -12.860 -19.407 2.397 1.00 0.00 H new ATOM 1932 N PRO B 38 -11.782 -16.793 1.478 1.00 0.00 N ATOM 1933 CA PRO B 38 -10.670 -15.853 1.677 1.00 0.00 C ATOM 1934 C PRO B 38 -11.038 -14.393 1.399 1.00 0.00 C ATOM 1935 O PRO B 38 -11.231 -13.990 0.251 1.00 0.00 O ATOM 1936 CB PRO B 38 -9.596 -16.328 0.682 1.00 0.00 C ATOM 1937 CG PRO B 38 -10.289 -17.285 -0.225 1.00 0.00 C ATOM 1938 CD PRO B 38 -11.381 -17.896 0.597 1.00 0.00 C ATOM 0 HA PRO B 38 -10.347 -15.859 2.718 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -9.180 -15.489 0.124 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.766 -16.809 1.200 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -10.694 -16.774 -1.099 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -9.601 -18.047 -0.592 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -12.209 -18.240 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -11.027 -18.758 1.163 1.00 0.00 H new ATOM 1946 N ALA B 39 -11.153 -13.616 2.468 1.00 0.00 N ATOM 1947 CA ALA B 39 -11.319 -12.173 2.363 1.00 0.00 C ATOM 1948 C ALA B 39 -10.104 -11.493 2.965 1.00 0.00 C ATOM 1949 O ALA B 39 -9.943 -11.472 4.185 1.00 0.00 O ATOM 1950 CB ALA B 39 -12.589 -11.714 3.065 1.00 0.00 C ATOM 0 H ALA B 39 -11.134 -13.966 3.426 1.00 0.00 H new ATOM 0 HA ALA B 39 -11.410 -11.901 1.312 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -12.687 -10.633 2.970 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -13.452 -12.198 2.608 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -12.539 -11.983 4.120 1.00 0.00 H new ATOM 1956 N LYS B 40 -9.247 -10.957 2.117 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.958 -10.457 2.561 1.00 0.00 C ATOM 1958 C LYS B 40 -7.792 -8.969 2.274 1.00 0.00 C ATOM 1959 O LYS B 40 -8.692 -8.318 1.746 1.00 0.00 O ATOM 1960 CB LYS B 40 -6.832 -11.254 1.898 1.00 0.00 C ATOM 1961 CG LYS B 40 -7.003 -11.404 0.396 1.00 0.00 C ATOM 1962 CD LYS B 40 -5.814 -12.103 -0.231 1.00 0.00 C ATOM 1963 CE LYS B 40 -4.593 -11.207 -0.234 1.00 0.00 C ATOM 1964 NZ LYS B 40 -4.825 -9.953 -0.998 1.00 0.00 N ATOM 0 H LYS B 40 -9.419 -10.856 1.117 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.908 -10.586 3.642 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.881 -10.762 2.101 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.782 -12.244 2.351 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -7.911 -11.970 0.187 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -7.129 -10.421 -0.057 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -5.595 -13.019 0.318 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.057 -12.395 -1.253 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -4.321 -10.961 0.793 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -3.750 -11.745 -0.667 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -4.203 -9.934 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -5.818 -9.912 -1.306 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -4.617 -9.134 -0.392 1.00 0.00 H new ATOM 1978 N PHE B 41 -6.628 -8.450 2.647 1.00 0.00 N ATOM 1979 CA PHE B 41 -6.302 -7.043 2.483 1.00 0.00 C ATOM 1980 C PHE B 41 -5.790 -6.772 1.070 1.00 0.00 C ATOM 1981 O PHE B 41 -4.882 -7.452 0.594 1.00 0.00 O ATOM 1982 CB PHE B 41 -5.246 -6.655 3.532 1.00 0.00 C ATOM 1983 CG PHE B 41 -4.549 -5.362 3.257 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -5.058 -4.174 3.739 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -3.379 -5.335 2.515 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -4.417 -2.983 3.475 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -2.740 -4.144 2.250 1.00 0.00 C ATOM 1988 CZ PHE B 41 -3.259 -2.967 2.733 1.00 0.00 C ATOM 0 H PHE B 41 -5.881 -8.999 3.074 1.00 0.00 H new ATOM 0 HA PHE B 41 -7.197 -6.439 2.629 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -5.727 -6.594 4.508 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -4.502 -7.449 3.592 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -5.964 -4.177 4.327 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -2.963 -6.259 2.140 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -4.826 -2.058 3.853 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -1.833 -4.135 1.664 1.00 0.00 H new ATOM 0 HZ PHE B 41 -2.759 -2.031 2.530 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.376 -5.788 0.402 1.00 0.00 N ATOM 1999 CA ASP B 42 -5.945 -5.410 -0.942 1.00 0.00 C ATOM 2000 C ASP B 42 -6.024 -3.896 -1.135 1.00 0.00 C ATOM 2001 O ASP B 42 -6.988 -3.250 -0.707 1.00 0.00 O ATOM 2002 CB ASP B 42 -6.795 -6.126 -2.002 1.00 0.00 C ATOM 2003 CG ASP B 42 -6.489 -7.612 -2.086 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -7.039 -8.393 -1.280 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -5.677 -8.011 -2.946 1.00 0.00 O ATOM 0 H ASP B 42 -7.152 -5.235 0.767 1.00 0.00 H new ATOM 0 HA ASP B 42 -4.906 -5.717 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -7.851 -5.988 -1.770 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -6.620 -5.667 -2.975 1.00 0.00 H new ATOM 2010 N ILE B 43 -5.001 -3.328 -1.764 1.00 0.00 N ATOM 2011 CA ILE B 43 -4.961 -1.892 -2.021 1.00 0.00 C ATOM 2012 C ILE B 43 -5.296 -1.634 -3.486 1.00 0.00 C ATOM 2013 O ILE B 43 -4.691 -2.232 -4.377 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.578 -1.288 -1.696 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -3.078 -1.804 -0.347 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -3.658 0.232 -1.676 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -1.724 -1.260 0.054 1.00 0.00 C ATOM 0 H ILE B 43 -4.188 -3.840 -2.106 1.00 0.00 H new ATOM 0 HA ILE B 43 -5.694 -1.413 -1.372 1.00 0.00 H new ATOM 0 HB ILE B 43 -2.875 -1.593 -2.471 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -3.805 -1.545 0.422 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -3.026 -2.892 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -2.676 0.645 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -3.983 0.592 -2.652 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -4.372 0.549 -0.916 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -1.438 -1.672 1.022 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -0.983 -1.542 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -1.774 -0.173 0.123 1.00 0.00 H new ATOM 2029 N ARG B 44 -6.251 -0.749 -3.745 1.00 0.00 N ATOM 2030 CA ARG B 44 -6.755 -0.581 -5.099 1.00 0.00 C ATOM 2031 C ARG B 44 -7.040 0.877 -5.437 1.00 0.00 C ATOM 2032 O ARG B 44 -7.365 1.685 -4.566 1.00 0.00 O ATOM 2033 CB ARG B 44 -8.041 -1.394 -5.283 1.00 0.00 C ATOM 2034 CG ARG B 44 -9.181 -0.930 -4.383 1.00 0.00 C ATOM 2035 CD ARG B 44 -10.483 -1.648 -4.702 1.00 0.00 C ATOM 2036 NE ARG B 44 -11.597 -1.128 -3.907 1.00 0.00 N ATOM 2037 CZ ARG B 44 -12.880 -1.246 -4.249 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -13.221 -1.892 -5.363 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -13.816 -0.703 -3.480 1.00 0.00 N ATOM 0 H ARG B 44 -6.685 -0.146 -3.046 1.00 0.00 H new ATOM 0 HA ARG B 44 -5.976 -0.937 -5.774 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -8.359 -1.328 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -7.831 -2.444 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -8.915 -1.106 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -9.321 0.145 -4.499 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -10.710 -1.537 -5.762 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -10.367 -2.715 -4.511 1.00 0.00 H new ATOM 0 HE ARG B 44 -11.377 -0.645 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -12.499 -2.299 -5.958 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -14.204 -1.980 -5.621 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -13.552 -0.199 -2.633 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -14.800 -0.789 -3.736 1.00 0.00 H new ATOM 2053 N ALA B 45 -6.903 1.197 -6.713 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.382 2.458 -7.258 1.00 0.00 C ATOM 2055 C ALA B 45 -8.294 2.168 -8.440 1.00 0.00 C ATOM 2056 O ALA B 45 -7.837 1.718 -9.492 1.00 0.00 O ATOM 2057 CB ALA B 45 -6.230 3.362 -7.677 1.00 0.00 C ATOM 0 H ALA B 45 -6.457 0.590 -7.401 1.00 0.00 H new ATOM 0 HA ALA B 45 -7.937 2.988 -6.484 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -6.627 4.294 -8.079 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.603 3.578 -6.812 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -5.634 2.862 -8.441 1.00 0.00 H new ATOM 2063 N TRP B 46 -9.581 2.407 -8.258 1.00 0.00 N ATOM 2064 CA TRP B 46 -10.571 2.018 -9.244 1.00 0.00 C ATOM 2065 C TRP B 46 -11.280 3.236 -9.818 1.00 0.00 C ATOM 2066 O TRP B 46 -11.264 4.320 -9.232 1.00 0.00 O ATOM 2067 CB TRP B 46 -11.578 1.029 -8.637 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.316 1.548 -7.431 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -11.788 1.870 -6.211 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -13.728 1.779 -7.325 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -12.781 2.294 -5.364 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -13.979 2.246 -6.023 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -14.803 1.641 -8.206 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -15.258 2.576 -5.581 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -16.073 1.968 -7.766 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -16.289 2.431 -6.464 1.00 0.00 C ATOM 0 H TRP B 46 -9.965 2.870 -7.434 1.00 0.00 H new ATOM 0 HA TRP B 46 -10.055 1.519 -10.064 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.305 0.755 -9.402 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -11.050 0.117 -8.359 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -10.742 1.801 -5.952 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -12.647 2.596 -4.399 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -14.645 1.285 -9.213 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -15.428 2.934 -4.576 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -16.911 1.864 -8.439 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -17.292 2.679 -6.151 1.00 0.00 H new ATOM 2087 N SER B 47 -11.896 3.042 -10.972 1.00 0.00 N ATOM 2088 CA SER B 47 -12.554 4.115 -11.693 1.00 0.00 C ATOM 2089 C SER B 47 -13.821 4.570 -10.970 1.00 0.00 C ATOM 2090 O SER B 47 -14.437 3.793 -10.246 1.00 0.00 O ATOM 2091 CB SER B 47 -12.885 3.626 -13.096 1.00 0.00 C ATOM 2092 OG SER B 47 -11.755 3.001 -13.680 1.00 0.00 O ATOM 0 H SER B 47 -11.953 2.135 -11.435 1.00 0.00 H new ATOM 0 HA SER B 47 -11.886 4.975 -11.748 1.00 0.00 H new ATOM 0 HB2 SER B 47 -13.717 2.923 -13.056 1.00 0.00 H new ATOM 0 HB3 SER B 47 -13.205 4.465 -13.714 1.00 0.00 H new ATOM 0 HG SER B 47 -11.134 3.686 -14.006 1.00 0.00 H new ATOM 2202 N LYS B 55 -5.499 0.362 -11.140 1.00 0.00 N ATOM 2203 CA LYS B 55 -4.261 -0.225 -10.648 1.00 0.00 C ATOM 2204 C LYS B 55 -4.371 -0.546 -9.163 1.00 0.00 C ATOM 2205 O LYS B 55 -5.376 -0.235 -8.524 1.00 0.00 O ATOM 2206 CB LYS B 55 -3.074 0.716 -10.902 1.00 0.00 C ATOM 2207 CG LYS B 55 -3.221 2.096 -10.275 1.00 0.00 C ATOM 2208 CD LYS B 55 -2.069 3.011 -10.672 1.00 0.00 C ATOM 2209 CE LYS B 55 -0.738 2.471 -10.180 1.00 0.00 C ATOM 2210 NZ LYS B 55 0.412 3.254 -10.704 1.00 0.00 N ATOM 0 HA LYS B 55 -4.088 -1.154 -11.192 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -2.167 0.250 -10.517 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -2.941 0.831 -11.978 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -4.166 2.541 -10.588 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -3.256 2.003 -9.190 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -2.042 3.115 -11.757 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.234 4.006 -10.260 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -0.721 2.488 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -0.635 1.429 -10.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 1.266 2.660 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 0.208 3.563 -11.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 0.568 4.087 -10.101 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.329 -1.157 -8.620 1.00 0.00 N ATOM 2225 CA GLY B 56 -3.333 -1.550 -7.229 1.00 0.00 C ATOM 2226 C GLY B 56 -2.291 -2.613 -6.967 1.00 0.00 C ATOM 2227 O GLY B 56 -1.431 -2.855 -7.815 1.00 0.00 O ATOM 0 H GLY B 56 -2.474 -1.389 -9.125 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -3.138 -0.681 -6.601 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -4.319 -1.926 -6.956 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.362 -3.254 -5.811 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.414 -4.300 -5.471 1.00 0.00 C ATOM 2233 C ILE B 57 -2.022 -5.263 -4.451 1.00 0.00 C ATOM 2234 O ILE B 57 -2.711 -4.845 -3.513 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.082 -3.710 -4.944 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.950 -4.818 -4.735 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.301 -2.927 -3.654 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.350 -4.299 -4.514 1.00 0.00 C ATOM 0 H ILE B 57 -3.064 -3.068 -5.095 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.189 -4.855 -6.382 1.00 0.00 H new ATOM 0 HB ILE B 57 0.301 -3.018 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.655 -5.422 -3.877 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.947 -5.476 -5.604 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.651 -2.524 -3.307 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -0.996 -2.108 -3.839 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.714 -3.588 -2.893 1.00 0.00 H new ATOM 0 HD11 ILE B 57 3.031 -5.138 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.664 -3.719 -5.382 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.367 -3.665 -3.628 1.00 0.00 H new ATOM 2250 N THR B 58 -1.787 -6.552 -4.657 1.00 0.00 N ATOM 2251 CA THR B 58 -2.356 -7.579 -3.806 1.00 0.00 C ATOM 2252 C THR B 58 -1.314 -8.119 -2.827 1.00 0.00 C ATOM 2253 O THR B 58 -0.220 -8.524 -3.224 1.00 0.00 O ATOM 2254 CB THR B 58 -2.918 -8.733 -4.660 1.00 0.00 C ATOM 2255 OG1 THR B 58 -1.887 -9.282 -5.494 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.062 -8.246 -5.536 1.00 0.00 C ATOM 0 H THR B 58 -1.202 -6.909 -5.412 1.00 0.00 H new ATOM 0 HA THR B 58 -3.167 -7.129 -3.234 1.00 0.00 H new ATOM 0 HB THR B 58 -3.289 -9.503 -3.983 1.00 0.00 H new ATOM 0 HG1 THR B 58 -1.029 -9.243 -5.022 1.00 0.00 H new ATOM 0 HG21 THR B 58 -4.444 -9.076 -6.130 1.00 0.00 H new ATOM 0 HG22 THR B 58 -4.860 -7.853 -4.907 1.00 0.00 H new ATOM 0 HG23 THR B 58 -3.703 -7.460 -6.200 1.00 0.00 H new ATOM 2264 N LEU B 59 -1.644 -8.098 -1.541 1.00 0.00 N ATOM 2265 CA LEU B 59 -0.749 -8.618 -0.512 1.00 0.00 C ATOM 2266 C LEU B 59 -1.544 -9.244 0.618 1.00 0.00 C ATOM 2267 O LEU B 59 -2.757 -9.090 0.692 1.00 0.00 O ATOM 2268 CB LEU B 59 0.177 -7.529 0.051 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.511 -6.330 0.702 1.00 0.00 C ATOM 2270 CD1 LEU B 59 0.453 -5.601 1.624 1.00 0.00 C ATOM 2271 CD2 LEU B 59 -1.039 -5.382 -0.361 1.00 0.00 C ATOM 0 H LEU B 59 -2.525 -7.727 -1.185 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.127 -9.378 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU B 59 0.837 -7.987 0.788 1.00 0.00 H new ATOM 0 HB3 LEU B 59 0.809 -7.164 -0.759 1.00 0.00 H new ATOM 0 HG LEU B 59 -1.351 -6.694 1.294 1.00 0.00 H new ATOM 0 HD11 LEU B 59 -0.053 -4.750 2.080 1.00 0.00 H new ATOM 0 HD12 LEU B 59 0.794 -6.281 2.405 1.00 0.00 H new ATOM 0 HD13 LEU B 59 1.310 -5.249 1.050 1.00 0.00 H new ATOM 0 HD21 LEU B 59 -1.526 -4.533 0.118 1.00 0.00 H new ATOM 0 HD22 LEU B 59 -0.211 -5.026 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU B 59 -1.759 -5.906 -0.990 1.00 0.00 H new ATOM 2283 N SER B 60 -0.855 -9.946 1.487 1.00 0.00 N ATOM 2284 CA SER B 60 -1.491 -10.644 2.593 1.00 0.00 C ATOM 2285 C SER B 60 -1.598 -9.729 3.813 1.00 0.00 C ATOM 2286 O SER B 60 -0.961 -8.673 3.860 1.00 0.00 O ATOM 2287 CB SER B 60 -0.702 -11.918 2.920 1.00 0.00 C ATOM 2288 OG SER B 60 0.683 -11.647 3.092 1.00 0.00 O ATOM 0 H SER B 60 0.159 -10.053 1.453 1.00 0.00 H new ATOM 0 HA SER B 60 -2.503 -10.929 2.305 1.00 0.00 H new ATOM 0 HB2 SER B 60 -1.100 -12.370 3.828 1.00 0.00 H new ATOM 0 HB3 SER B 60 -0.834 -12.644 2.118 1.00 0.00 H new ATOM 0 HG SER B 60 1.093 -11.473 2.219 1.00 0.00 H new ATOM 2294 N ASN B 61 -2.402 -10.124 4.801 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.587 -9.300 5.997 1.00 0.00 C ATOM 2296 C ASN B 61 -1.329 -9.312 6.857 1.00 0.00 C ATOM 2297 O ASN B 61 -1.091 -8.394 7.644 1.00 0.00 O ATOM 2298 CB ASN B 61 -3.807 -9.744 6.824 1.00 0.00 C ATOM 2299 CG ASN B 61 -3.649 -11.107 7.478 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -4.026 -12.127 6.906 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -3.108 -11.129 8.688 1.00 0.00 N ATOM 0 H ASN B 61 -2.929 -10.997 4.799 1.00 0.00 H new ATOM 0 HA ASN B 61 -2.776 -8.281 5.659 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -3.998 -9.001 7.598 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -4.684 -9.763 6.177 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -2.992 -12.016 9.179 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -2.808 -10.259 9.128 1.00 0.00 H new ATOM 2308 N GLU B 62 -0.534 -10.363 6.705 1.00 0.00 N ATOM 2309 CA GLU B 62 0.771 -10.447 7.349 1.00 0.00 C ATOM 2310 C GLU B 62 1.656 -9.295 6.883 1.00 0.00 C ATOM 2311 O GLU B 62 2.219 -8.553 7.690 1.00 0.00 O ATOM 2312 CB GLU B 62 1.453 -11.784 7.022 1.00 0.00 C ATOM 2313 CG GLU B 62 0.817 -13.002 7.686 1.00 0.00 C ATOM 2314 CD GLU B 62 -0.602 -13.280 7.216 1.00 0.00 C ATOM 2315 OE1 GLU B 62 -0.914 -13.001 6.038 1.00 0.00 O ATOM 2316 OE2 GLU B 62 -1.408 -13.781 8.028 1.00 0.00 O ATOM 0 H GLU B 62 -0.773 -11.176 6.137 1.00 0.00 H new ATOM 0 HA GLU B 62 0.626 -10.382 8.427 1.00 0.00 H new ATOM 0 HB2 GLU B 62 1.441 -11.928 5.942 1.00 0.00 H new ATOM 0 HB3 GLU B 62 2.499 -11.727 7.324 1.00 0.00 H new ATOM 0 HG2 GLU B 62 1.435 -13.878 7.487 1.00 0.00 H new ATOM 0 HG3 GLU B 62 0.811 -12.855 8.766 1.00 0.00 H new ATOM 2323 N GLU B 63 1.749 -9.141 5.566 1.00 0.00 N ATOM 2324 CA GLU B 63 2.534 -8.070 4.958 1.00 0.00 C ATOM 2325 C GLU B 63 1.950 -6.709 5.321 1.00 0.00 C ATOM 2326 O GLU B 63 2.678 -5.729 5.494 1.00 0.00 O ATOM 2327 CB GLU B 63 2.558 -8.242 3.440 1.00 0.00 C ATOM 2328 CG GLU B 63 3.125 -9.580 2.996 1.00 0.00 C ATOM 2329 CD GLU B 63 2.925 -9.842 1.518 1.00 0.00 C ATOM 2330 OE1 GLU B 63 1.807 -10.246 1.132 1.00 0.00 O ATOM 2331 OE2 GLU B 63 3.879 -9.653 0.733 1.00 0.00 O ATOM 0 H GLU B 63 1.285 -9.751 4.893 1.00 0.00 H new ATOM 0 HA GLU B 63 3.553 -8.123 5.340 1.00 0.00 H new ATOM 0 HB2 GLU B 63 1.544 -8.139 3.053 1.00 0.00 H new ATOM 0 HB3 GLU B 63 3.150 -7.440 3.000 1.00 0.00 H new ATOM 0 HG2 GLU B 63 4.190 -9.612 3.225 1.00 0.00 H new ATOM 0 HG3 GLU B 63 2.652 -10.378 3.569 1.00 0.00 H new ATOM 2338 N PHE B 64 0.631 -6.671 5.443 1.00 0.00 N ATOM 2339 CA PHE B 64 -0.083 -5.465 5.834 1.00 0.00 C ATOM 2340 C PHE B 64 0.376 -4.982 7.209 1.00 0.00 C ATOM 2341 O PHE B 64 0.881 -3.869 7.346 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.586 -5.749 5.838 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.445 -4.566 6.173 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.056 -3.285 5.818 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -3.659 -4.741 6.817 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -2.858 -2.199 6.100 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -4.465 -3.658 7.103 1.00 0.00 C ATOM 2348 CZ PHE B 64 -4.065 -2.387 6.745 1.00 0.00 C ATOM 0 H PHE B 64 0.026 -7.475 5.274 1.00 0.00 H new ATOM 0 HA PHE B 64 0.134 -4.674 5.116 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -1.874 -6.124 4.856 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -1.790 -6.544 6.555 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -1.113 -3.135 5.314 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -3.978 -5.734 7.098 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -2.543 -1.205 5.818 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -5.409 -3.805 7.607 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.695 -1.539 6.969 1.00 0.00 H new ATOM 2358 N GLN B 65 0.208 -5.831 8.219 1.00 0.00 N ATOM 2359 CA GLN B 65 0.627 -5.508 9.585 1.00 0.00 C ATOM 2360 C GLN B 65 2.117 -5.170 9.626 1.00 0.00 C ATOM 2361 O GLN B 65 2.555 -4.357 10.442 1.00 0.00 O ATOM 2362 CB GLN B 65 0.329 -6.690 10.511 1.00 0.00 C ATOM 2363 CG GLN B 65 -0.512 -6.335 11.734 1.00 0.00 C ATOM 2364 CD GLN B 65 0.280 -5.647 12.833 1.00 0.00 C ATOM 2365 OE1 GLN B 65 0.853 -6.304 13.698 1.00 0.00 O ATOM 2366 NE2 GLN B 65 0.303 -4.321 12.816 1.00 0.00 N ATOM 0 H GLN B 65 -0.217 -6.753 8.119 1.00 0.00 H new ATOM 0 HA GLN B 65 0.068 -4.636 9.925 1.00 0.00 H new ATOM 0 HB2 GLN B 65 -0.188 -7.461 9.941 1.00 0.00 H new ATOM 0 HB3 GLN B 65 1.273 -7.120 10.846 1.00 0.00 H new ATOM 0 HG2 GLN B 65 -1.331 -5.685 11.426 1.00 0.00 H new ATOM 0 HG3 GLN B 65 -0.960 -7.245 12.134 1.00 0.00 H new ATOM 0 HE21 GLN B 65 -0.186 -3.812 12.080 1.00 0.00 H new ATOM 0 HE22 GLN B 65 0.810 -3.810 13.539 1.00 0.00 H new ATOM 2375 N THR B 66 2.880 -5.787 8.730 1.00 0.00 N ATOM 2376 CA THR B 66 4.310 -5.531 8.621 1.00 0.00 C ATOM 2377 C THR B 66 4.590 -4.061 8.284 1.00 0.00 C ATOM 2378 O THR B 66 5.388 -3.403 8.957 1.00 0.00 O ATOM 2379 CB THR B 66 4.954 -6.444 7.555 1.00 0.00 C ATOM 2380 OG1 THR B 66 4.769 -7.822 7.911 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.441 -6.154 7.404 1.00 0.00 C ATOM 0 H THR B 66 2.527 -6.474 8.064 1.00 0.00 H new ATOM 0 HA THR B 66 4.754 -5.753 9.591 1.00 0.00 H new ATOM 0 HB THR B 66 4.465 -6.241 6.602 1.00 0.00 H new ATOM 0 HG1 THR B 66 3.822 -8.059 7.821 1.00 0.00 H new ATOM 0 HG21 THR B 66 6.865 -6.813 6.646 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.580 -5.116 7.101 1.00 0.00 H new ATOM 0 HG23 THR B 66 6.944 -6.325 8.356 1.00 0.00 H new ATOM 2389 N MET B 67 3.925 -3.540 7.253 1.00 0.00 N ATOM 2390 CA MET B 67 4.146 -2.155 6.838 1.00 0.00 C ATOM 2391 C MET B 67 3.629 -1.197 7.905 1.00 0.00 C ATOM 2392 O MET B 67 4.251 -0.175 8.192 1.00 0.00 O ATOM 2393 CB MET B 67 3.474 -1.849 5.483 1.00 0.00 C ATOM 2394 CG MET B 67 1.981 -1.568 5.570 1.00 0.00 C ATOM 2395 SD MET B 67 1.271 -1.020 4.008 1.00 0.00 S ATOM 2396 CE MET B 67 -0.347 -0.477 4.556 1.00 0.00 C ATOM 0 H MET B 67 3.238 -4.048 6.696 1.00 0.00 H new ATOM 0 HA MET B 67 5.220 -2.016 6.715 1.00 0.00 H new ATOM 0 HB2 MET B 67 3.968 -0.988 5.033 1.00 0.00 H new ATOM 0 HB3 MET B 67 3.634 -2.694 4.813 1.00 0.00 H new ATOM 0 HG2 MET B 67 1.466 -2.471 5.899 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.805 -0.806 6.329 1.00 0.00 H new ATOM 0 HE1 MET B 67 -1.117 -1.042 4.031 1.00 0.00 H new ATOM 0 HE2 MET B 67 -0.442 -0.643 5.629 1.00 0.00 H new ATOM 0 HE3 MET B 67 -0.466 0.585 4.341 1.00 0.00 H new ATOM 2406 N VAL B 68 2.505 -1.559 8.511 1.00 0.00 N ATOM 2407 CA VAL B 68 1.855 -0.726 9.508 1.00 0.00 C ATOM 2408 C VAL B 68 2.760 -0.517 10.714 1.00 0.00 C ATOM 2409 O VAL B 68 2.918 0.603 11.186 1.00 0.00 O ATOM 2410 CB VAL B 68 0.514 -1.353 9.935 1.00 0.00 C ATOM 2411 CG1 VAL B 68 -0.125 -0.583 11.082 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -0.415 -1.403 8.736 1.00 0.00 C ATOM 0 H VAL B 68 2.021 -2.437 8.324 1.00 0.00 H new ATOM 0 HA VAL B 68 1.656 0.250 9.065 1.00 0.00 H new ATOM 0 HB VAL B 68 0.700 -2.365 10.296 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -1.069 -1.055 11.356 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.546 -0.587 11.941 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.310 0.445 10.771 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -1.366 -1.846 9.031 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -0.585 -0.392 8.365 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.038 -2.007 7.950 1.00 0.00 H new ATOM 2422 N ASP B 69 3.369 -1.595 11.187 1.00 0.00 N ATOM 2423 CA ASP B 69 4.328 -1.519 12.284 1.00 0.00 C ATOM 2424 C ASP B 69 5.483 -0.569 11.946 1.00 0.00 C ATOM 2425 O ASP B 69 5.809 0.333 12.726 1.00 0.00 O ATOM 2426 CB ASP B 69 4.869 -2.917 12.608 1.00 0.00 C ATOM 2427 CG ASP B 69 5.987 -2.893 13.633 1.00 0.00 C ATOM 2428 OD1 ASP B 69 5.710 -2.619 14.822 1.00 0.00 O ATOM 2429 OD2 ASP B 69 7.148 -3.169 13.258 1.00 0.00 O ATOM 0 H ASP B 69 3.216 -2.537 10.828 1.00 0.00 H new ATOM 0 HA ASP B 69 3.812 -1.123 13.159 1.00 0.00 H new ATOM 0 HB2 ASP B 69 4.055 -3.539 12.980 1.00 0.00 H new ATOM 0 HB3 ASP B 69 5.233 -3.382 11.692 1.00 0.00 H new ATOM 2434 N ALA B 70 6.074 -0.753 10.772 1.00 0.00 N ATOM 2435 CA ALA B 70 7.210 0.060 10.352 1.00 0.00 C ATOM 2436 C ALA B 70 6.844 1.539 10.222 1.00 0.00 C ATOM 2437 O ALA B 70 7.581 2.412 10.682 1.00 0.00 O ATOM 2438 CB ALA B 70 7.762 -0.459 9.038 1.00 0.00 C ATOM 0 H ALA B 70 5.786 -1.458 10.093 1.00 0.00 H new ATOM 0 HA ALA B 70 7.973 -0.019 11.126 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.610 0.154 8.732 1.00 0.00 H new ATOM 0 HB2 ALA B 70 8.087 -1.492 9.163 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.986 -0.413 8.274 1.00 0.00 H new ATOM 2444 N PHE B 71 5.704 1.817 9.601 1.00 0.00 N ATOM 2445 CA PHE B 71 5.263 3.193 9.398 1.00 0.00 C ATOM 2446 C PHE B 71 4.768 3.801 10.702 1.00 0.00 C ATOM 2447 O PHE B 71 4.820 5.009 10.890 1.00 0.00 O ATOM 2448 CB PHE B 71 4.176 3.261 8.328 1.00 0.00 C ATOM 2449 CG PHE B 71 4.659 2.830 6.972 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.922 3.193 6.529 1.00 0.00 C ATOM 2451 CD2 PHE B 71 3.860 2.057 6.148 1.00 0.00 C ATOM 2452 CE1 PHE B 71 6.377 2.789 5.290 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.311 1.650 4.909 1.00 0.00 C ATOM 2454 CZ PHE B 71 5.570 2.018 4.479 1.00 0.00 C ATOM 0 H PHE B 71 5.069 1.110 9.230 1.00 0.00 H new ATOM 0 HA PHE B 71 6.119 3.774 9.054 1.00 0.00 H new ATOM 0 HB2 PHE B 71 3.339 2.630 8.627 1.00 0.00 H new ATOM 0 HB3 PHE B 71 3.799 4.282 8.266 1.00 0.00 H new ATOM 0 HD1 PHE B 71 6.556 3.798 7.160 1.00 0.00 H new ATOM 0 HD2 PHE B 71 2.873 1.769 6.478 1.00 0.00 H new ATOM 0 HE1 PHE B 71 7.363 3.076 4.956 1.00 0.00 H new ATOM 0 HE2 PHE B 71 3.679 1.044 4.276 1.00 0.00 H new ATOM 0 HZ PHE B 71 5.923 1.703 3.508 1.00 0.00 H new ATOM 2464 N LYS B 72 4.294 2.952 11.597 1.00 0.00 N ATOM 2465 CA LYS B 72 3.918 3.372 12.941 1.00 0.00 C ATOM 2466 C LYS B 72 5.135 3.923 13.677 1.00 0.00 C ATOM 2467 O LYS B 72 5.022 4.819 14.519 1.00 0.00 O ATOM 2468 CB LYS B 72 3.330 2.175 13.687 1.00 0.00 C ATOM 2469 CG LYS B 72 3.146 2.367 15.185 1.00 0.00 C ATOM 2470 CD LYS B 72 2.728 1.061 15.841 1.00 0.00 C ATOM 2471 CE LYS B 72 3.639 -0.078 15.408 1.00 0.00 C ATOM 2472 NZ LYS B 72 3.317 -1.361 16.081 1.00 0.00 N ATOM 0 H LYS B 72 4.158 1.957 11.417 1.00 0.00 H new ATOM 0 HA LYS B 72 3.170 4.163 12.887 1.00 0.00 H new ATOM 0 HB2 LYS B 72 2.362 1.934 13.247 1.00 0.00 H new ATOM 0 HB3 LYS B 72 3.978 1.313 13.525 1.00 0.00 H new ATOM 0 HG2 LYS B 72 4.076 2.723 15.629 1.00 0.00 H new ATOM 0 HG3 LYS B 72 2.391 3.132 15.370 1.00 0.00 H new ATOM 0 HD2 LYS B 72 2.761 1.167 16.925 1.00 0.00 H new ATOM 0 HD3 LYS B 72 1.697 0.829 15.575 1.00 0.00 H new ATOM 0 HE2 LYS B 72 3.560 -0.210 14.329 1.00 0.00 H new ATOM 0 HE3 LYS B 72 4.674 0.189 15.622 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 3.990 -2.092 15.774 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 3.385 -1.239 17.112 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 2.351 -1.652 15.830 1.00 0.00 H new ATOM 2486 N GLY B 73 6.300 3.387 13.347 1.00 0.00 N ATOM 2487 CA GLY B 73 7.535 3.875 13.930 1.00 0.00 C ATOM 2488 C GLY B 73 8.149 5.023 13.141 1.00 0.00 C ATOM 2489 O GLY B 73 9.187 5.563 13.531 1.00 0.00 O ATOM 0 H GLY B 73 6.414 2.620 12.684 1.00 0.00 H new ATOM 0 HA2 GLY B 73 7.344 4.204 14.951 1.00 0.00 H new ATOM 0 HA3 GLY B 73 8.252 3.056 13.988 1.00 0.00 H new ATOM 2493 N ASN B 74 7.510 5.403 12.042 1.00 0.00 N ATOM 2494 CA ASN B 74 8.011 6.477 11.184 1.00 0.00 C ATOM 2495 C ASN B 74 6.938 7.528 10.946 1.00 0.00 C ATOM 2496 O ASN B 74 5.836 7.423 11.484 1.00 0.00 O ATOM 2497 CB ASN B 74 8.495 5.920 9.838 1.00 0.00 C ATOM 2498 CG ASN B 74 9.918 5.400 9.892 1.00 0.00 C ATOM 2499 OD1 ASN B 74 10.382 4.914 10.921 1.00 0.00 O ATOM 2500 ND2 ASN B 74 10.625 5.504 8.778 1.00 0.00 N ATOM 0 H ASN B 74 6.638 4.982 11.720 1.00 0.00 H new ATOM 0 HA ASN B 74 8.852 6.943 11.697 1.00 0.00 H new ATOM 0 HB2 ASN B 74 7.831 5.115 9.524 1.00 0.00 H new ATOM 0 HB3 ASN B 74 8.428 6.702 9.082 1.00 0.00 H new ATOM 0 HD21 ASN B 74 11.590 5.175 8.754 1.00 0.00 H new ATOM 0 HD22 ASN B 74 10.205 5.913 7.944 1.00 0.00 H new ATOM 2507 N LEU B 75 7.277 8.541 10.146 1.00 0.00 N ATOM 2508 CA LEU B 75 6.342 9.607 9.774 1.00 0.00 C ATOM 2509 C LEU B 75 5.590 10.152 10.989 1.00 0.00 C ATOM 2510 O LEU B 75 6.151 10.264 12.084 1.00 0.00 O ATOM 2511 CB LEU B 75 5.335 9.112 8.720 1.00 0.00 C ATOM 2512 CG LEU B 75 5.887 8.914 7.305 1.00 0.00 C ATOM 2513 CD1 LEU B 75 6.618 7.587 7.182 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.762 9.003 6.286 1.00 0.00 C ATOM 0 H LEU B 75 8.206 8.646 9.738 1.00 0.00 H new ATOM 0 HA LEU B 75 6.936 10.416 9.349 1.00 0.00 H new ATOM 0 HB2 LEU B 75 4.918 8.165 9.062 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.511 9.824 8.671 1.00 0.00 H new ATOM 0 HG LEU B 75 6.605 9.709 7.105 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.999 7.474 6.167 1.00 0.00 H new ATOM 0 HD12 LEU B 75 7.450 7.563 7.886 1.00 0.00 H new ATOM 0 HD13 LEU B 75 5.931 6.771 7.404 1.00 0.00 H new ATOM 0 HD21 LEU B 75 5.167 8.861 5.284 1.00 0.00 H new ATOM 0 HD22 LEU B 75 4.022 8.229 6.492 1.00 0.00 H new ATOM 0 HD23 LEU B 75 4.289 9.983 6.351 1.00 0.00 H new ATOM 2526 N GLU B 76 4.333 10.530 10.759 1.00 0.00 N ATOM 2527 CA GLU B 76 3.425 10.952 11.817 1.00 0.00 C ATOM 2528 C GLU B 76 3.777 12.344 12.320 1.00 0.00 C ATOM 2529 O GLU B 76 4.724 12.969 11.838 1.00 0.00 O ATOM 2530 CB GLU B 76 3.416 9.932 12.964 1.00 0.00 C ATOM 2531 CG GLU B 76 2.087 9.212 13.134 1.00 0.00 C ATOM 2532 CD GLU B 76 1.146 9.947 14.064 1.00 0.00 C ATOM 2533 OE1 GLU B 76 0.970 11.169 13.904 1.00 0.00 O ATOM 2534 OE2 GLU B 76 0.599 9.312 14.991 1.00 0.00 O ATOM 0 H GLU B 76 3.917 10.551 9.828 1.00 0.00 H new ATOM 0 HA GLU B 76 2.419 10.999 11.400 1.00 0.00 H new ATOM 0 HB2 GLU B 76 4.199 9.194 12.788 1.00 0.00 H new ATOM 0 HB3 GLU B 76 3.663 10.443 13.894 1.00 0.00 H new ATOM 0 HG2 GLU B 76 1.613 9.096 12.159 1.00 0.00 H new ATOM 0 HG3 GLU B 76 2.267 8.210 13.522 1.00 0.00 H new