USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 968 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 40 LYS NZ :NH3+ 175:sc= 0.277 (180deg=0) USER MOD Set 1.2: B 60 SER OG : rot 74:sc= 0.701 USER MOD Set 2.1: B 21 ASN : amide:sc= 0.0792 K(o=0.14,f=-11!) USER MOD Set 2.2: B 27 LYS NZ :NH3+ -165:sc= 0.0652 (180deg=-0.387) USER MOD Set 3.1: B 14 HIS : no HD1:sc= -0.148 K(o=-1.2,f=-5.3!) USER MOD Set 3.2: B 17 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= 0.316 K(o=0.32,f=-4.3!) USER MOD Single : A 17 THR OG1 : rot -63:sc= 1.24 USER MOD Single : A 19 SER OG : rot 171:sc= 1.19 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0282 F(o=-1.3!,f=-0.028) USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -2.11! (180deg=-2.72!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= 0.0192 (180deg=-0.838!) USER MOD Single : A 30 ASN : amide:sc= -2.29 X(o=-2.3,f=-2.5!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.485 X(o=-0.48,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 98:sc= 0.555 USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.0665 (180deg=-0.349) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0075 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.055) USER MOD Single : A 65 GLN : amide:sc= -3.24! C(o=-3.2!,f=-3.1!) USER MOD Single : A 66 THR OG1 : rot 63:sc= 1.28 USER MOD Single : A 67 MET CE :methyl -159:sc= -0.128 (180deg=-1.23) USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0346) USER MOD Single : A 74 ASN : amide:sc= 0.821 K(o=0.82,f=-7.2!) USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 SER OG : rot -8:sc= 1.01 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 ASN :FLIP amide:sc= -0.305 F(o=-1.5!,f=-0.3) USER MOD Single : B 33 SER OG : rot -138:sc= 1.15 USER MOD Single : B 35 ASN : amide:sc= -0.363 K(o=-0.36,f=-2.4!) USER MOD Single : B 47 SER OG : rot -119:sc= 1.43 USER MOD Single : B 55 LYS NZ :NH3+ -165:sc= -0.0495 (180deg=-0.297) USER MOD Single : B 58 THR OG1 : rot -20:sc= 1.19 USER MOD Single : B 61 ASN : amide:sc= -0.434 K(o=-0.43,f=-2.8!) USER MOD Single : B 65 GLN : amide:sc= -1.11 K(o=-1.1,f=-9!) USER MOD Single : B 66 THR OG1 : rot 85:sc= 1.25 USER MOD Single : B 67 MET CE :methyl -178:sc= -0.0179 (180deg=-0.0259) USER MOD Single : B 72 LYS NZ :NH3+ -153:sc= -0.118 (180deg=-0.881!) USER MOD Single : B 74 ASN : amide:sc= -0.0858 K(o=-0.086,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 126 N THR A 8 12.796 10.581 -16.507 1.00 0.00 N ATOM 127 CA THR A 8 13.794 9.774 -15.834 1.00 0.00 C ATOM 128 C THR A 8 13.313 9.447 -14.425 1.00 0.00 C ATOM 129 O THR A 8 12.564 10.220 -13.821 1.00 0.00 O ATOM 130 CB THR A 8 15.169 10.485 -15.783 1.00 0.00 C ATOM 131 OG1 THR A 8 16.178 9.594 -15.297 1.00 0.00 O ATOM 132 CG2 THR A 8 15.127 11.719 -14.898 1.00 0.00 C ATOM 0 HA THR A 8 13.928 8.853 -16.401 1.00 0.00 H new ATOM 0 HB THR A 8 15.410 10.793 -16.800 1.00 0.00 H new ATOM 0 HG1 THR A 8 17.041 10.059 -15.273 1.00 0.00 H new ATOM 0 HG21 THR A 8 16.109 12.192 -14.886 1.00 0.00 H new ATOM 0 HG22 THR A 8 14.391 12.422 -15.288 1.00 0.00 H new ATOM 0 HG23 THR A 8 14.851 11.430 -13.884 1.00 0.00 H new ATOM 140 N PHE A 9 13.714 8.294 -13.919 1.00 0.00 N ATOM 141 CA PHE A 9 13.311 7.861 -12.593 1.00 0.00 C ATOM 142 C PHE A 9 14.337 6.897 -12.023 1.00 0.00 C ATOM 143 O PHE A 9 15.072 6.249 -12.770 1.00 0.00 O ATOM 144 CB PHE A 9 11.918 7.214 -12.626 1.00 0.00 C ATOM 145 CG PHE A 9 11.762 6.116 -13.643 1.00 0.00 C ATOM 146 CD1 PHE A 9 12.073 4.803 -13.329 1.00 0.00 C ATOM 147 CD2 PHE A 9 11.287 6.402 -14.916 1.00 0.00 C ATOM 148 CE1 PHE A 9 11.918 3.796 -14.262 1.00 0.00 C ATOM 149 CE2 PHE A 9 11.133 5.400 -15.853 1.00 0.00 C ATOM 150 CZ PHE A 9 11.449 4.095 -15.527 1.00 0.00 C ATOM 0 H PHE A 9 14.322 7.638 -14.410 1.00 0.00 H new ATOM 0 HA PHE A 9 13.257 8.737 -11.946 1.00 0.00 H new ATOM 0 HB2 PHE A 9 11.695 6.811 -11.638 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.177 7.987 -12.829 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.441 4.564 -12.342 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.035 7.420 -15.176 1.00 0.00 H new ATOM 0 HE1 PHE A 9 12.163 2.777 -14.003 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.766 5.636 -16.841 1.00 0.00 H new ATOM 0 HZ PHE A 9 11.330 3.310 -16.259 1.00 0.00 H new ATOM 160 N GLU A 10 14.402 6.820 -10.702 1.00 0.00 N ATOM 161 CA GLU A 10 15.363 5.953 -10.046 1.00 0.00 C ATOM 162 C GLU A 10 14.912 5.631 -8.627 1.00 0.00 C ATOM 163 O GLU A 10 14.274 6.455 -7.967 1.00 0.00 O ATOM 164 CB GLU A 10 16.736 6.626 -10.032 1.00 0.00 C ATOM 165 CG GLU A 10 17.875 5.701 -9.643 1.00 0.00 C ATOM 166 CD GLU A 10 19.227 6.349 -9.829 1.00 0.00 C ATOM 167 OE1 GLU A 10 19.708 6.405 -10.979 1.00 0.00 O ATOM 168 OE2 GLU A 10 19.812 6.818 -8.829 1.00 0.00 O ATOM 0 H GLU A 10 13.802 7.346 -10.067 1.00 0.00 H new ATOM 0 HA GLU A 10 15.431 5.017 -10.600 1.00 0.00 H new ATOM 0 HB2 GLU A 10 16.937 7.037 -11.021 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.710 7.465 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.758 5.402 -8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.824 4.793 -10.243 1.00 0.00 H new ATOM 175 N ILE A 11 15.229 4.427 -8.173 1.00 0.00 N ATOM 176 CA ILE A 11 14.892 3.999 -6.821 1.00 0.00 C ATOM 177 C ILE A 11 15.986 4.436 -5.854 1.00 0.00 C ATOM 178 O ILE A 11 17.100 3.904 -5.883 1.00 0.00 O ATOM 179 CB ILE A 11 14.722 2.465 -6.734 1.00 0.00 C ATOM 180 CG1 ILE A 11 13.686 1.977 -7.757 1.00 0.00 C ATOM 181 CG2 ILE A 11 14.321 2.050 -5.322 1.00 0.00 C ATOM 182 CD1 ILE A 11 13.511 0.474 -7.775 1.00 0.00 C ATOM 0 H ILE A 11 15.722 3.725 -8.724 1.00 0.00 H new ATOM 0 HA ILE A 11 13.944 4.465 -6.553 1.00 0.00 H new ATOM 0 HB ILE A 11 15.679 1.999 -6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.725 2.443 -7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.984 2.311 -8.751 1.00 0.00 H new ATOM 0 HG21 ILE A 11 14.206 0.967 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 11 15.093 2.360 -4.618 1.00 0.00 H new ATOM 0 HG23 ILE A 11 13.377 2.526 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 11 12.764 0.204 -8.521 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.461 0.000 -8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.182 0.134 -6.793 1.00 0.00 H new ATOM 194 N GLU A 12 15.675 5.409 -5.015 1.00 0.00 N ATOM 195 CA GLU A 12 16.659 5.942 -4.083 1.00 0.00 C ATOM 196 C GLU A 12 16.781 5.065 -2.842 1.00 0.00 C ATOM 197 O GLU A 12 17.888 4.791 -2.373 1.00 0.00 O ATOM 198 CB GLU A 12 16.309 7.373 -3.675 1.00 0.00 C ATOM 199 CG GLU A 12 14.889 7.534 -3.158 1.00 0.00 C ATOM 200 CD GLU A 12 14.716 8.790 -2.333 1.00 0.00 C ATOM 201 OE1 GLU A 12 14.890 9.896 -2.881 1.00 0.00 O ATOM 202 OE2 GLU A 12 14.393 8.674 -1.133 1.00 0.00 O ATOM 0 H GLU A 12 14.755 5.845 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 12 17.620 5.948 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 12 17.006 7.702 -2.904 1.00 0.00 H new ATOM 0 HB3 GLU A 12 16.450 8.030 -4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 12 14.199 7.558 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 12 14.624 6.666 -2.554 1.00 0.00 H new ATOM 209 N GLU A 13 15.649 4.622 -2.308 1.00 0.00 N ATOM 210 CA GLU A 13 15.652 3.874 -1.066 1.00 0.00 C ATOM 211 C GLU A 13 14.406 3.008 -0.931 1.00 0.00 C ATOM 212 O GLU A 13 13.372 3.280 -1.543 1.00 0.00 O ATOM 213 CB GLU A 13 15.749 4.832 0.124 1.00 0.00 C ATOM 214 CG GLU A 13 15.938 4.127 1.456 1.00 0.00 C ATOM 215 CD GLU A 13 17.150 3.221 1.451 1.00 0.00 C ATOM 216 OE1 GLU A 13 17.032 2.068 0.977 1.00 0.00 O ATOM 217 OE2 GLU A 13 18.223 3.666 1.902 1.00 0.00 O ATOM 0 H GLU A 13 14.725 4.769 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 13 16.521 3.216 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 13 16.582 5.516 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 13 14.844 5.437 0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.044 4.869 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.048 3.541 1.685 1.00 0.00 H new ATOM 224 N HIS A 14 14.528 1.962 -0.129 1.00 0.00 N ATOM 225 CA HIS A 14 13.410 1.094 0.194 1.00 0.00 C ATOM 226 C HIS A 14 13.030 1.296 1.657 1.00 0.00 C ATOM 227 O HIS A 14 13.892 1.283 2.532 1.00 0.00 O ATOM 228 CB HIS A 14 13.759 -0.380 -0.100 1.00 0.00 C ATOM 229 CG HIS A 14 14.783 -1.002 0.815 1.00 0.00 C ATOM 230 ND1 HIS A 14 16.046 -0.478 1.029 1.00 0.00 N ATOM 231 CD2 HIS A 14 14.718 -2.126 1.568 1.00 0.00 C ATOM 232 CE1 HIS A 14 16.706 -1.257 1.867 1.00 0.00 C ATOM 233 NE2 HIS A 14 15.922 -2.259 2.208 1.00 0.00 N ATOM 0 H HIS A 14 15.405 1.692 0.316 1.00 0.00 H new ATOM 0 HA HIS A 14 12.555 1.351 -0.431 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.844 -0.969 -0.045 1.00 0.00 H new ATOM 0 HB3 HIS A 14 14.123 -0.451 -1.125 1.00 0.00 H new ATOM 0 HD1 HIS A 14 16.410 0.376 0.606 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.873 -2.794 1.649 1.00 0.00 H new ATOM 0 HE1 HIS A 14 17.717 -1.099 2.214 1.00 0.00 H new ATOM 242 N LEU A 15 11.749 1.510 1.916 1.00 0.00 N ATOM 243 CA LEU A 15 11.282 1.795 3.268 1.00 0.00 C ATOM 244 C LEU A 15 11.327 0.536 4.126 1.00 0.00 C ATOM 245 O LEU A 15 11.965 0.516 5.180 1.00 0.00 O ATOM 246 CB LEU A 15 9.861 2.364 3.230 1.00 0.00 C ATOM 247 CG LEU A 15 9.724 3.715 2.525 1.00 0.00 C ATOM 248 CD1 LEU A 15 8.261 4.057 2.312 1.00 0.00 C ATOM 249 CD2 LEU A 15 10.410 4.811 3.329 1.00 0.00 C ATOM 0 H LEU A 15 11.013 1.492 1.210 1.00 0.00 H new ATOM 0 HA LEU A 15 11.944 2.538 3.713 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.211 1.644 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.499 2.467 4.253 1.00 0.00 H new ATOM 0 HG LEU A 15 10.210 3.644 1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.182 5.021 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.793 3.288 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.755 4.108 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.302 5.764 2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.952 4.880 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.469 4.575 3.437 1.00 0.00 H new ATOM 261 N LEU A 16 10.655 -0.511 3.665 1.00 0.00 N ATOM 262 CA LEU A 16 10.655 -1.791 4.362 1.00 0.00 C ATOM 263 C LEU A 16 10.284 -2.919 3.413 1.00 0.00 C ATOM 264 O LEU A 16 9.573 -2.707 2.425 1.00 0.00 O ATOM 265 CB LEU A 16 9.686 -1.786 5.554 1.00 0.00 C ATOM 266 CG LEU A 16 8.205 -1.585 5.212 1.00 0.00 C ATOM 267 CD1 LEU A 16 7.330 -2.390 6.160 1.00 0.00 C ATOM 268 CD2 LEU A 16 7.834 -0.115 5.294 1.00 0.00 C ATOM 0 H LEU A 16 10.101 -0.499 2.809 1.00 0.00 H new ATOM 0 HA LEU A 16 11.665 -1.952 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 16 9.791 -2.731 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 16 9.991 -0.997 6.242 1.00 0.00 H new ATOM 0 HG LEU A 16 8.039 -1.933 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.281 -2.237 5.905 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.575 -3.448 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.506 -2.062 7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.779 0.008 5.048 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.016 0.250 6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.440 0.453 4.588 1.00 0.00 H new ATOM 280 N THR A 17 10.775 -4.109 3.711 1.00 0.00 N ATOM 281 CA THR A 17 10.432 -5.292 2.951 1.00 0.00 C ATOM 282 C THR A 17 9.197 -5.948 3.558 1.00 0.00 C ATOM 283 O THR A 17 9.148 -6.196 4.765 1.00 0.00 O ATOM 284 CB THR A 17 11.600 -6.298 2.949 1.00 0.00 C ATOM 285 OG1 THR A 17 12.822 -5.634 2.590 1.00 0.00 O ATOM 286 CG2 THR A 17 11.334 -7.437 1.977 1.00 0.00 C ATOM 0 H THR A 17 11.419 -4.279 4.483 1.00 0.00 H new ATOM 0 HA THR A 17 10.226 -4.996 1.922 1.00 0.00 H new ATOM 0 HB THR A 17 11.693 -6.712 3.953 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.751 -5.291 1.675 1.00 0.00 H new ATOM 0 HG21 THR A 17 12.173 -8.133 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.423 -7.959 2.269 1.00 0.00 H new ATOM 0 HG23 THR A 17 11.216 -7.036 0.970 1.00 0.00 H new ATOM 294 N LEU A 18 8.196 -6.215 2.732 1.00 0.00 N ATOM 295 CA LEU A 18 6.964 -6.814 3.219 1.00 0.00 C ATOM 296 C LEU A 18 7.069 -8.331 3.231 1.00 0.00 C ATOM 297 O LEU A 18 6.874 -8.965 4.270 1.00 0.00 O ATOM 298 CB LEU A 18 5.775 -6.374 2.365 1.00 0.00 C ATOM 299 CG LEU A 18 5.472 -4.876 2.397 1.00 0.00 C ATOM 300 CD1 LEU A 18 4.288 -4.555 1.503 1.00 0.00 C ATOM 301 CD2 LEU A 18 5.199 -4.420 3.820 1.00 0.00 C ATOM 0 H LEU A 18 8.212 -6.028 1.729 1.00 0.00 H new ATOM 0 HA LEU A 18 6.804 -6.470 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.960 -6.669 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.889 -6.915 2.697 1.00 0.00 H new ATOM 0 HG LEU A 18 6.344 -4.340 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.086 -3.484 1.537 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.516 -4.849 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.411 -5.101 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.985 -3.351 3.825 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.342 -4.963 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.074 -4.618 4.440 1.00 0.00 H new ATOM 313 N SER A 19 7.401 -8.906 2.084 1.00 0.00 N ATOM 314 CA SER A 19 7.475 -10.351 1.953 1.00 0.00 C ATOM 315 C SER A 19 8.151 -10.756 0.644 1.00 0.00 C ATOM 316 O SER A 19 8.416 -9.917 -0.224 1.00 0.00 O ATOM 317 CB SER A 19 6.064 -10.940 2.015 1.00 0.00 C ATOM 318 OG SER A 19 5.207 -10.286 1.094 1.00 0.00 O ATOM 0 H SER A 19 7.623 -8.392 1.231 1.00 0.00 H new ATOM 0 HA SER A 19 8.076 -10.741 2.775 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.100 -12.006 1.792 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.666 -10.838 3.025 1.00 0.00 H new ATOM 0 HG SER A 19 4.352 -10.763 1.047 1.00 0.00 H new ATOM 324 N GLU A 20 8.431 -12.043 0.517 1.00 0.00 N ATOM 325 CA GLU A 20 8.964 -12.605 -0.711 1.00 0.00 C ATOM 326 C GLU A 20 8.102 -13.785 -1.143 1.00 0.00 C ATOM 327 O GLU A 20 7.811 -14.673 -0.343 1.00 0.00 O ATOM 328 CB GLU A 20 10.412 -13.062 -0.518 1.00 0.00 C ATOM 329 CG GLU A 20 11.031 -13.643 -1.776 1.00 0.00 C ATOM 330 CD GLU A 20 12.382 -14.275 -1.526 1.00 0.00 C ATOM 331 OE1 GLU A 20 12.421 -15.434 -1.054 1.00 0.00 O ATOM 332 OE2 GLU A 20 13.408 -13.628 -1.814 1.00 0.00 O ATOM 0 H GLU A 20 8.295 -12.726 1.262 1.00 0.00 H new ATOM 0 HA GLU A 20 8.949 -11.836 -1.483 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.012 -12.215 -0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.447 -13.810 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.357 -14.390 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.136 -12.855 -2.521 1.00 0.00 H new ATOM 339 N ASN A 21 7.684 -13.785 -2.394 1.00 0.00 N ATOM 340 CA ASN A 21 6.834 -14.841 -2.915 1.00 0.00 C ATOM 341 C ASN A 21 7.624 -15.801 -3.794 1.00 0.00 C ATOM 342 O ASN A 21 8.298 -15.381 -4.745 1.00 0.00 O ATOM 343 CB ASN A 21 5.664 -14.257 -3.715 1.00 0.00 C ATOM 344 CG ASN A 21 4.655 -13.519 -2.851 1.00 0.00 C ATOM 345 OD1 ASN A 21 4.494 -13.958 -1.610 1.00 0.00 O flip ATOM 346 ND2 ASN A 21 4.019 -12.564 -3.300 1.00 0.00 N flip ATOM 0 H ASN A 21 7.920 -13.061 -3.073 1.00 0.00 H new ATOM 0 HA ASN A 21 6.441 -15.392 -2.061 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.054 -13.574 -4.470 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.157 -15.063 -4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.171 -12.256 -4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.340 -12.081 -2.711 1.00 0.00 H new ATOM 353 N GLU A 22 7.545 -17.085 -3.440 1.00 0.00 N ATOM 354 CA GLU A 22 8.069 -18.175 -4.259 1.00 0.00 C ATOM 355 C GLU A 22 9.564 -18.035 -4.533 1.00 0.00 C ATOM 356 O GLU A 22 10.056 -18.514 -5.555 1.00 0.00 O ATOM 357 CB GLU A 22 7.286 -18.250 -5.569 1.00 0.00 C ATOM 358 CG GLU A 22 5.829 -18.631 -5.366 1.00 0.00 C ATOM 359 CD GLU A 22 5.018 -18.545 -6.638 1.00 0.00 C ATOM 360 OE1 GLU A 22 5.281 -19.330 -7.574 1.00 0.00 O ATOM 361 OE2 GLU A 22 4.098 -17.706 -6.704 1.00 0.00 O ATOM 0 H GLU A 22 7.112 -17.398 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 22 7.942 -19.102 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.337 -17.285 -6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.759 -18.979 -6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.775 -19.647 -4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.388 -17.976 -4.615 1.00 0.00 H new ATOM 368 N LYS A 23 10.279 -17.418 -3.593 1.00 0.00 N ATOM 369 CA LYS A 23 11.720 -17.201 -3.712 1.00 0.00 C ATOM 370 C LYS A 23 12.061 -16.420 -4.975 1.00 0.00 C ATOM 371 O LYS A 23 12.326 -17.001 -6.030 1.00 0.00 O ATOM 372 CB LYS A 23 12.486 -18.527 -3.704 1.00 0.00 C ATOM 373 CG LYS A 23 12.305 -19.344 -2.435 1.00 0.00 C ATOM 374 CD LYS A 23 13.174 -20.598 -2.450 1.00 0.00 C ATOM 375 CE LYS A 23 14.607 -20.326 -1.995 1.00 0.00 C ATOM 376 NZ LYS A 23 15.288 -19.280 -2.806 1.00 0.00 N ATOM 0 H LYS A 23 9.876 -17.055 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 23 12.025 -16.615 -2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.164 -19.125 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.547 -18.321 -3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.560 -18.734 -1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.258 -19.627 -2.329 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.728 -21.352 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.189 -21.013 -3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.598 -20.018 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.181 -21.251 -2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 16.312 -19.315 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 15.106 -19.450 -3.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.922 -18.343 -2.542 1.00 0.00 H new ATOM 390 N GLY A 24 12.042 -15.106 -4.870 1.00 0.00 N ATOM 391 CA GLY A 24 12.366 -14.279 -6.006 1.00 0.00 C ATOM 392 C GLY A 24 11.478 -13.061 -6.104 1.00 0.00 C ATOM 393 O GLY A 24 11.967 -11.931 -6.098 1.00 0.00 O ATOM 0 H GLY A 24 11.808 -14.596 -4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.407 -13.962 -5.936 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.273 -14.868 -6.919 1.00 0.00 H new ATOM 397 N TRP A 25 10.168 -13.285 -6.175 1.00 0.00 N ATOM 398 CA TRP A 25 9.218 -12.190 -6.324 1.00 0.00 C ATOM 399 C TRP A 25 9.100 -11.435 -5.014 1.00 0.00 C ATOM 400 O TRP A 25 8.385 -11.855 -4.110 1.00 0.00 O ATOM 401 CB TRP A 25 7.849 -12.719 -6.758 1.00 0.00 C ATOM 402 CG TRP A 25 7.837 -13.281 -8.152 1.00 0.00 C ATOM 403 CD1 TRP A 25 8.408 -14.444 -8.577 1.00 0.00 C ATOM 404 CD2 TRP A 25 7.211 -12.699 -9.301 1.00 0.00 C ATOM 405 NE1 TRP A 25 8.182 -14.618 -9.921 1.00 0.00 N ATOM 406 CE2 TRP A 25 7.442 -13.564 -10.387 1.00 0.00 C ATOM 407 CE3 TRP A 25 6.473 -11.533 -9.514 1.00 0.00 C ATOM 408 CZ2 TRP A 25 6.966 -13.295 -11.669 1.00 0.00 C ATOM 409 CZ3 TRP A 25 6.001 -11.268 -10.784 1.00 0.00 C ATOM 410 CH2 TRP A 25 6.245 -12.146 -11.847 1.00 0.00 C ATOM 0 H TRP A 25 9.743 -14.211 -6.132 1.00 0.00 H new ATOM 0 HA TRP A 25 9.581 -11.512 -7.096 1.00 0.00 H new ATOM 0 HB2 TRP A 25 7.530 -13.493 -6.060 1.00 0.00 H new ATOM 0 HB3 TRP A 25 7.120 -11.912 -6.694 1.00 0.00 H new ATOM 0 HD1 TRP A 25 8.958 -15.129 -7.949 1.00 0.00 H new ATOM 0 HE1 TRP A 25 8.512 -15.404 -10.481 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.275 -10.851 -8.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.159 -13.968 -12.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 5.433 -10.367 -10.961 1.00 0.00 H new ATOM 0 HH2 TRP A 25 5.856 -11.912 -12.827 1.00 0.00 H new ATOM 421 N THR A 26 9.818 -10.339 -4.905 1.00 0.00 N ATOM 422 CA THR A 26 9.886 -9.614 -3.656 1.00 0.00 C ATOM 423 C THR A 26 8.878 -8.471 -3.646 1.00 0.00 C ATOM 424 O THR A 26 8.722 -7.762 -4.639 1.00 0.00 O ATOM 425 CB THR A 26 11.308 -9.065 -3.439 1.00 0.00 C ATOM 426 OG1 THR A 26 12.266 -10.076 -3.795 1.00 0.00 O ATOM 427 CG2 THR A 26 11.519 -8.652 -1.990 1.00 0.00 C ATOM 0 H THR A 26 10.362 -9.931 -5.665 1.00 0.00 H new ATOM 0 HA THR A 26 9.642 -10.300 -2.844 1.00 0.00 H new ATOM 0 HB THR A 26 11.440 -8.185 -4.068 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.173 -9.730 -3.660 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.531 -8.268 -1.865 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.801 -7.876 -1.725 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.376 -9.516 -1.341 1.00 0.00 H new ATOM 435 N LYS A 27 8.201 -8.293 -2.522 1.00 0.00 N ATOM 436 CA LYS A 27 7.207 -7.245 -2.394 1.00 0.00 C ATOM 437 C LYS A 27 7.630 -6.275 -1.304 1.00 0.00 C ATOM 438 O LYS A 27 7.726 -6.645 -0.131 1.00 0.00 O ATOM 439 CB LYS A 27 5.840 -7.862 -2.084 1.00 0.00 C ATOM 440 CG LYS A 27 4.696 -6.857 -2.032 1.00 0.00 C ATOM 441 CD LYS A 27 3.340 -7.554 -2.048 1.00 0.00 C ATOM 442 CE LYS A 27 3.140 -8.444 -0.830 1.00 0.00 C ATOM 443 NZ LYS A 27 1.853 -9.195 -0.890 1.00 0.00 N ATOM 0 H LYS A 27 8.324 -8.863 -1.685 1.00 0.00 H new ATOM 0 HA LYS A 27 7.127 -6.696 -3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.614 -8.614 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.897 -8.380 -1.127 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.784 -6.250 -1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.768 -6.178 -2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.548 -6.805 -2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.252 -8.154 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.968 -9.149 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.161 -7.833 0.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.339 -9.075 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.274 -8.830 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.047 -10.205 -1.045 1.00 0.00 H new ATOM 457 N GLU A 28 7.894 -5.040 -1.694 1.00 0.00 N ATOM 458 CA GLU A 28 8.405 -4.041 -0.773 1.00 0.00 C ATOM 459 C GLU A 28 7.719 -2.701 -0.982 1.00 0.00 C ATOM 460 O GLU A 28 6.988 -2.506 -1.956 1.00 0.00 O ATOM 461 CB GLU A 28 9.912 -3.857 -0.964 1.00 0.00 C ATOM 462 CG GLU A 28 10.725 -5.126 -0.781 1.00 0.00 C ATOM 463 CD GLU A 28 12.213 -4.872 -0.865 1.00 0.00 C ATOM 464 OE1 GLU A 28 12.830 -4.600 0.187 1.00 0.00 O ATOM 465 OE2 GLU A 28 12.775 -4.953 -1.980 1.00 0.00 O ATOM 0 H GLU A 28 7.762 -4.704 -2.648 1.00 0.00 H new ATOM 0 HA GLU A 28 8.200 -4.395 0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.094 -3.464 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.267 -3.107 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.489 -5.570 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.439 -5.851 -1.543 1.00 0.00 H new ATOM 472 N ILE A 29 7.963 -1.790 -0.060 1.00 0.00 N ATOM 473 CA ILE A 29 7.524 -0.414 -0.200 1.00 0.00 C ATOM 474 C ILE A 29 8.755 0.482 -0.260 1.00 0.00 C ATOM 475 O ILE A 29 9.524 0.553 0.697 1.00 0.00 O ATOM 476 CB ILE A 29 6.617 0.020 0.975 1.00 0.00 C ATOM 477 CG1 ILE A 29 5.437 -0.949 1.128 1.00 0.00 C ATOM 478 CG2 ILE A 29 6.113 1.441 0.757 1.00 0.00 C ATOM 479 CD1 ILE A 29 4.533 -0.636 2.303 1.00 0.00 C ATOM 0 H ILE A 29 8.469 -1.981 0.805 1.00 0.00 H new ATOM 0 HA ILE A 29 6.938 -0.325 -1.114 1.00 0.00 H new ATOM 0 HB ILE A 29 7.204 -0.004 1.893 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.845 -0.933 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.824 -1.962 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.476 1.733 1.592 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.962 2.122 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.540 1.486 -0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.724 -1.365 2.344 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.109 -0.681 3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.115 0.364 2.185 1.00 0.00 H new ATOM 491 N ASN A 30 8.959 1.140 -1.386 1.00 0.00 N ATOM 492 CA ASN A 30 10.171 1.911 -1.601 1.00 0.00 C ATOM 493 C ASN A 30 9.850 3.319 -2.091 1.00 0.00 C ATOM 494 O ASN A 30 8.688 3.697 -2.205 1.00 0.00 O ATOM 495 CB ASN A 30 11.084 1.191 -2.605 1.00 0.00 C ATOM 496 CG ASN A 30 10.523 1.169 -4.018 1.00 0.00 C ATOM 497 OD1 ASN A 30 9.769 0.272 -4.392 1.00 0.00 O ATOM 498 ND2 ASN A 30 10.906 2.147 -4.821 1.00 0.00 N ATOM 0 H ASN A 30 8.302 1.157 -2.166 1.00 0.00 H new ATOM 0 HA ASN A 30 10.691 1.999 -0.647 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.058 1.680 -2.616 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.245 0.167 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.575 2.174 -5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.532 2.874 -4.476 1.00 0.00 H new ATOM 505 N ARG A 31 10.893 4.097 -2.348 1.00 0.00 N ATOM 506 CA ARG A 31 10.750 5.455 -2.858 1.00 0.00 C ATOM 507 C ARG A 31 11.415 5.592 -4.227 1.00 0.00 C ATOM 508 O ARG A 31 12.592 5.257 -4.389 1.00 0.00 O ATOM 509 CB ARG A 31 11.369 6.446 -1.869 1.00 0.00 C ATOM 510 CG ARG A 31 10.563 6.610 -0.589 1.00 0.00 C ATOM 511 CD ARG A 31 11.408 7.150 0.559 1.00 0.00 C ATOM 512 NE ARG A 31 12.093 8.398 0.226 1.00 0.00 N ATOM 513 CZ ARG A 31 11.943 9.537 0.899 1.00 0.00 C ATOM 514 NH1 ARG A 31 11.097 9.612 1.921 1.00 0.00 N ATOM 515 NH2 ARG A 31 12.650 10.603 0.553 1.00 0.00 N ATOM 0 H ARG A 31 11.861 3.806 -2.209 1.00 0.00 H new ATOM 0 HA ARG A 31 9.689 5.675 -2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 31 12.375 6.113 -1.615 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.468 7.417 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.728 7.286 -0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.138 5.648 -0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.770 7.313 1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.147 6.401 0.843 1.00 0.00 H new ATOM 0 HE ARG A 31 12.727 8.396 -0.573 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.556 8.792 2.196 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.989 10.489 2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.306 10.549 -0.226 1.00 0.00 H new ATOM 0 HH22 ARG A 31 12.538 11.478 1.066 1.00 0.00 H new ATOM 529 N VAL A 32 10.653 6.049 -5.214 1.00 0.00 N ATOM 530 CA VAL A 32 11.186 6.287 -6.551 1.00 0.00 C ATOM 531 C VAL A 32 11.092 7.767 -6.908 1.00 0.00 C ATOM 532 O VAL A 32 10.045 8.389 -6.743 1.00 0.00 O ATOM 533 CB VAL A 32 10.439 5.469 -7.628 1.00 0.00 C ATOM 534 CG1 VAL A 32 11.061 5.685 -9.001 1.00 0.00 C ATOM 535 CG2 VAL A 32 10.433 3.990 -7.288 1.00 0.00 C ATOM 0 H VAL A 32 9.661 6.263 -5.113 1.00 0.00 H new ATOM 0 HA VAL A 32 12.228 5.969 -6.534 1.00 0.00 H new ATOM 0 HB VAL A 32 9.408 5.821 -7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.518 5.099 -9.743 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.007 6.742 -9.263 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.104 5.369 -8.982 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.900 3.440 -8.064 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.459 3.627 -7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.936 3.839 -6.330 1.00 0.00 H new ATOM 545 N SER A 33 12.187 8.329 -7.390 1.00 0.00 N ATOM 546 CA SER A 33 12.209 9.727 -7.789 1.00 0.00 C ATOM 547 C SER A 33 11.917 9.860 -9.280 1.00 0.00 C ATOM 548 O SER A 33 12.697 9.409 -10.118 1.00 0.00 O ATOM 549 CB SER A 33 13.565 10.346 -7.446 1.00 0.00 C ATOM 550 OG SER A 33 13.855 10.182 -6.068 1.00 0.00 O ATOM 0 H SER A 33 13.073 7.839 -7.515 1.00 0.00 H new ATOM 0 HA SER A 33 11.433 10.263 -7.242 1.00 0.00 H new ATOM 0 HB2 SER A 33 14.346 9.879 -8.046 1.00 0.00 H new ATOM 0 HB3 SER A 33 13.561 11.406 -7.698 1.00 0.00 H new ATOM 0 HG SER A 33 14.727 10.582 -5.867 1.00 0.00 H new ATOM 556 N PHE A 34 10.771 10.451 -9.600 1.00 0.00 N ATOM 557 CA PHE A 34 10.374 10.671 -10.985 1.00 0.00 C ATOM 558 C PHE A 34 10.648 12.113 -11.396 1.00 0.00 C ATOM 559 O PHE A 34 10.317 13.040 -10.651 1.00 0.00 O ATOM 560 CB PHE A 34 8.883 10.371 -11.173 1.00 0.00 C ATOM 561 CG PHE A 34 8.484 8.961 -10.838 1.00 0.00 C ATOM 562 CD1 PHE A 34 8.559 7.963 -11.797 1.00 0.00 C ATOM 563 CD2 PHE A 34 8.024 8.635 -9.571 1.00 0.00 C ATOM 564 CE1 PHE A 34 8.183 6.667 -11.499 1.00 0.00 C ATOM 565 CE2 PHE A 34 7.644 7.342 -9.268 1.00 0.00 C ATOM 566 CZ PHE A 34 7.725 6.357 -10.234 1.00 0.00 C ATOM 0 H PHE A 34 10.097 10.788 -8.913 1.00 0.00 H new ATOM 0 HA PHE A 34 10.959 9.998 -11.612 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.306 11.056 -10.551 1.00 0.00 H new ATOM 0 HB3 PHE A 34 8.612 10.576 -12.209 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.915 8.201 -12.788 1.00 0.00 H new ATOM 0 HD2 PHE A 34 7.962 9.401 -8.812 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.247 5.898 -12.254 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.284 7.101 -8.278 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.430 5.345 -9.999 1.00 0.00 H new ATOM 576 N ASN A 35 11.282 12.286 -12.561 1.00 0.00 N ATOM 577 CA ASN A 35 11.521 13.607 -13.170 1.00 0.00 C ATOM 578 C ASN A 35 12.607 14.397 -12.431 1.00 0.00 C ATOM 579 O ASN A 35 13.452 15.034 -13.054 1.00 0.00 O ATOM 580 CB ASN A 35 10.220 14.425 -13.233 1.00 0.00 C ATOM 581 CG ASN A 35 10.395 15.798 -13.874 1.00 0.00 C ATOM 582 OD1 ASN A 35 9.749 16.764 -13.469 1.00 0.00 O ATOM 583 ND2 ASN A 35 11.239 15.894 -14.892 1.00 0.00 N ATOM 0 H ASN A 35 11.647 11.511 -13.114 1.00 0.00 H new ATOM 0 HA ASN A 35 11.877 13.428 -14.185 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.474 13.863 -13.795 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.830 14.551 -12.223 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.368 16.789 -15.365 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.759 15.073 -15.202 1.00 0.00 H new ATOM 590 N GLY A 36 12.588 14.327 -11.110 1.00 0.00 N ATOM 591 CA GLY A 36 13.492 15.122 -10.305 1.00 0.00 C ATOM 592 C GLY A 36 12.866 15.532 -8.985 1.00 0.00 C ATOM 593 O GLY A 36 13.491 16.228 -8.183 1.00 0.00 O ATOM 0 H GLY A 36 11.957 13.729 -10.576 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.402 14.554 -10.114 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.784 16.013 -10.860 1.00 0.00 H new ATOM 597 N ALA A 37 11.621 15.116 -8.765 1.00 0.00 N ATOM 598 CA ALA A 37 10.928 15.376 -7.509 1.00 0.00 C ATOM 599 C ALA A 37 11.601 14.617 -6.366 1.00 0.00 C ATOM 600 O ALA A 37 12.334 13.656 -6.609 1.00 0.00 O ATOM 601 CB ALA A 37 9.463 14.972 -7.636 1.00 0.00 C ATOM 0 H ALA A 37 11.070 14.594 -9.446 1.00 0.00 H new ATOM 0 HA ALA A 37 10.979 16.442 -7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.949 15.168 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.994 15.549 -8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.398 13.910 -7.871 1.00 0.00 H new ATOM 607 N PRO A 38 11.382 15.044 -5.109 1.00 0.00 N ATOM 608 CA PRO A 38 11.958 14.389 -3.925 1.00 0.00 C ATOM 609 C PRO A 38 11.317 13.031 -3.626 1.00 0.00 C ATOM 610 O PRO A 38 10.840 12.792 -2.514 1.00 0.00 O ATOM 611 CB PRO A 38 11.674 15.379 -2.782 1.00 0.00 C ATOM 612 CG PRO A 38 11.231 16.639 -3.447 1.00 0.00 C ATOM 613 CD PRO A 38 10.586 16.218 -4.731 1.00 0.00 C ATOM 0 HA PRO A 38 13.017 14.174 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.903 14.996 -2.114 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.565 15.547 -2.177 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.529 17.187 -2.818 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.077 17.301 -3.633 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.533 15.969 -4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 38 10.633 17.002 -5.487 1.00 0.00 H new ATOM 621 N ALA A 39 11.323 12.158 -4.634 1.00 0.00 N ATOM 622 CA ALA A 39 10.825 10.785 -4.522 1.00 0.00 C ATOM 623 C ALA A 39 9.312 10.714 -4.320 1.00 0.00 C ATOM 624 O ALA A 39 8.666 11.674 -3.896 1.00 0.00 O ATOM 625 CB ALA A 39 11.537 10.038 -3.405 1.00 0.00 C ATOM 0 H ALA A 39 11.678 12.386 -5.563 1.00 0.00 H new ATOM 0 HA ALA A 39 11.044 10.303 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 39 11.149 9.021 -3.342 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.607 10.006 -3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.366 10.550 -2.458 1.00 0.00 H new ATOM 631 N LYS A 40 8.760 9.562 -4.659 1.00 0.00 N ATOM 632 CA LYS A 40 7.366 9.255 -4.402 1.00 0.00 C ATOM 633 C LYS A 40 7.305 7.920 -3.663 1.00 0.00 C ATOM 634 O LYS A 40 8.322 7.237 -3.547 1.00 0.00 O ATOM 635 CB LYS A 40 6.584 9.187 -5.720 1.00 0.00 C ATOM 636 CG LYS A 40 5.076 9.323 -5.555 1.00 0.00 C ATOM 637 CD LYS A 40 4.704 10.676 -4.963 1.00 0.00 C ATOM 638 CE LYS A 40 5.055 11.815 -5.910 1.00 0.00 C ATOM 639 NZ LYS A 40 4.905 13.146 -5.267 1.00 0.00 N ATOM 0 H LYS A 40 9.270 8.810 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 40 6.912 10.036 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.939 9.977 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.801 8.238 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.590 9.201 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.705 8.527 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.636 10.698 -4.746 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.225 10.815 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.082 11.694 -6.256 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.414 11.764 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.154 13.891 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.920 13.274 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.536 13.206 -4.442 1.00 0.00 H new ATOM 653 N PHE A 41 6.140 7.553 -3.158 1.00 0.00 N ATOM 654 CA PHE A 41 6.011 6.324 -2.393 1.00 0.00 C ATOM 655 C PHE A 41 5.454 5.202 -3.261 1.00 0.00 C ATOM 656 O PHE A 41 4.346 5.298 -3.791 1.00 0.00 O ATOM 657 CB PHE A 41 5.130 6.561 -1.171 1.00 0.00 C ATOM 658 CG PHE A 41 5.658 7.648 -0.272 1.00 0.00 C ATOM 659 CD1 PHE A 41 6.693 7.390 0.612 1.00 0.00 C ATOM 660 CD2 PHE A 41 5.119 8.924 -0.313 1.00 0.00 C ATOM 661 CE1 PHE A 41 7.182 8.384 1.437 1.00 0.00 C ATOM 662 CE2 PHE A 41 5.605 9.922 0.512 1.00 0.00 C ATOM 663 CZ PHE A 41 6.637 9.651 1.388 1.00 0.00 C ATOM 0 H PHE A 41 5.275 8.084 -3.262 1.00 0.00 H new ATOM 0 HA PHE A 41 7.000 6.018 -2.052 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.124 6.824 -1.499 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.048 5.634 -0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.123 6.400 0.657 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.311 9.141 -0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.991 8.170 2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.177 10.913 0.471 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.017 10.429 2.034 1.00 0.00 H new ATOM 673 N ASP A 42 6.235 4.139 -3.393 1.00 0.00 N ATOM 674 CA ASP A 42 5.900 3.030 -4.277 1.00 0.00 C ATOM 675 C ASP A 42 5.746 1.727 -3.504 1.00 0.00 C ATOM 676 O ASP A 42 6.673 1.284 -2.828 1.00 0.00 O ATOM 677 CB ASP A 42 6.999 2.840 -5.326 1.00 0.00 C ATOM 678 CG ASP A 42 7.003 3.898 -6.408 1.00 0.00 C ATOM 679 OD1 ASP A 42 7.363 5.054 -6.117 1.00 0.00 O ATOM 680 OD2 ASP A 42 6.687 3.550 -7.569 1.00 0.00 O ATOM 0 H ASP A 42 7.116 4.021 -2.892 1.00 0.00 H new ATOM 0 HA ASP A 42 4.953 3.275 -4.757 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.968 2.841 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.880 1.861 -5.789 1.00 0.00 H new ATOM 685 N ILE A 43 4.580 1.112 -3.610 1.00 0.00 N ATOM 686 CA ILE A 43 4.383 -0.238 -3.098 1.00 0.00 C ATOM 687 C ILE A 43 4.460 -1.204 -4.269 1.00 0.00 C ATOM 688 O ILE A 43 3.553 -1.247 -5.097 1.00 0.00 O ATOM 689 CB ILE A 43 3.023 -0.397 -2.385 1.00 0.00 C ATOM 690 CG1 ILE A 43 2.882 0.642 -1.270 1.00 0.00 C ATOM 691 CG2 ILE A 43 2.882 -1.805 -1.821 1.00 0.00 C ATOM 692 CD1 ILE A 43 1.558 0.578 -0.538 1.00 0.00 C ATOM 0 H ILE A 43 3.755 1.524 -4.045 1.00 0.00 H new ATOM 0 HA ILE A 43 5.159 -0.448 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 43 2.228 -0.234 -3.112 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.690 0.503 -0.552 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.003 1.638 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.918 -1.902 -1.321 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.944 -2.530 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.682 -1.992 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.533 1.344 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.744 0.748 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.442 -0.405 -0.080 1.00 0.00 H new ATOM 704 N ARG A 44 5.540 -1.966 -4.348 1.00 0.00 N ATOM 705 CA ARG A 44 5.844 -2.714 -5.559 1.00 0.00 C ATOM 706 C ARG A 44 6.301 -4.139 -5.264 1.00 0.00 C ATOM 707 O ARG A 44 7.053 -4.386 -4.323 1.00 0.00 O ATOM 708 CB ARG A 44 6.926 -1.967 -6.342 1.00 0.00 C ATOM 709 CG ARG A 44 7.469 -2.712 -7.548 1.00 0.00 C ATOM 710 CD ARG A 44 8.561 -1.909 -8.244 1.00 0.00 C ATOM 711 NE ARG A 44 8.026 -0.739 -8.944 1.00 0.00 N ATOM 712 CZ ARG A 44 7.955 0.489 -8.426 1.00 0.00 C ATOM 713 NH1 ARG A 44 8.421 0.735 -7.206 1.00 0.00 N ATOM 714 NH2 ARG A 44 7.421 1.477 -9.135 1.00 0.00 N ATOM 0 H ARG A 44 6.217 -2.083 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 44 4.930 -2.792 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 44 6.519 -1.012 -6.675 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.753 -1.743 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.867 -3.677 -7.234 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.659 -2.914 -8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.297 -1.585 -7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.083 -2.549 -8.956 1.00 0.00 H new ATOM 0 HE ARG A 44 7.683 -0.872 -9.895 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.837 -0.018 -6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.363 1.677 -6.818 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.066 1.297 -10.074 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.366 2.416 -8.740 1.00 0.00 H new ATOM 728 N ALA A 45 5.830 -5.067 -6.085 1.00 0.00 N ATOM 729 CA ALA A 45 6.294 -6.443 -6.046 1.00 0.00 C ATOM 730 C ALA A 45 7.067 -6.740 -7.323 1.00 0.00 C ATOM 731 O ALA A 45 6.483 -6.815 -8.406 1.00 0.00 O ATOM 732 CB ALA A 45 5.121 -7.399 -5.897 1.00 0.00 C ATOM 0 H ALA A 45 5.119 -4.887 -6.793 1.00 0.00 H new ATOM 0 HA ALA A 45 6.948 -6.581 -5.185 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.489 -8.425 -5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.588 -7.180 -4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.444 -7.279 -6.743 1.00 0.00 H new ATOM 738 N TRP A 46 8.375 -6.887 -7.206 1.00 0.00 N ATOM 739 CA TRP A 46 9.223 -7.011 -8.379 1.00 0.00 C ATOM 740 C TRP A 46 9.763 -8.431 -8.537 1.00 0.00 C ATOM 741 O TRP A 46 10.012 -9.136 -7.556 1.00 0.00 O ATOM 742 CB TRP A 46 10.364 -5.985 -8.330 1.00 0.00 C ATOM 743 CG TRP A 46 11.209 -6.040 -7.087 1.00 0.00 C ATOM 744 CD1 TRP A 46 10.910 -5.510 -5.863 1.00 0.00 C ATOM 745 CD2 TRP A 46 12.504 -6.636 -6.961 1.00 0.00 C ATOM 746 NE1 TRP A 46 11.938 -5.749 -4.981 1.00 0.00 N ATOM 747 CE2 TRP A 46 12.928 -6.438 -5.632 1.00 0.00 C ATOM 748 CE3 TRP A 46 13.348 -7.320 -7.841 1.00 0.00 C ATOM 749 CZ2 TRP A 46 14.155 -6.900 -5.169 1.00 0.00 C ATOM 750 CZ3 TRP A 46 14.565 -7.778 -7.377 1.00 0.00 C ATOM 751 CH2 TRP A 46 14.959 -7.567 -6.053 1.00 0.00 C ATOM 0 H TRP A 46 8.871 -6.923 -6.316 1.00 0.00 H new ATOM 0 HA TRP A 46 8.611 -6.801 -9.256 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.007 -6.136 -9.197 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.939 -4.985 -8.419 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.000 -4.981 -5.623 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.960 -5.461 -4.003 1.00 0.00 H new ATOM 0 HE3 TRP A 46 13.053 -7.487 -8.866 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 14.463 -6.738 -4.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 15.224 -8.308 -8.049 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.917 -7.938 -5.721 1.00 0.00 H new ATOM 762 N SER A 47 9.917 -8.839 -9.787 1.00 0.00 N ATOM 763 CA SER A 47 10.395 -10.172 -10.122 1.00 0.00 C ATOM 764 C SER A 47 11.928 -10.200 -10.061 1.00 0.00 C ATOM 765 O SER A 47 12.575 -9.184 -10.326 1.00 0.00 O ATOM 766 CB SER A 47 9.894 -10.546 -11.526 1.00 0.00 C ATOM 767 OG SER A 47 10.070 -11.924 -11.802 1.00 0.00 O ATOM 0 H SER A 47 9.714 -8.255 -10.598 1.00 0.00 H new ATOM 0 HA SER A 47 10.012 -10.900 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.838 -10.290 -11.614 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.428 -9.956 -12.271 1.00 0.00 H new ATOM 0 HG SER A 47 9.230 -12.401 -11.636 1.00 0.00 H new ATOM 877 N LYS A 55 4.761 -5.312 -10.728 1.00 0.00 N ATOM 878 CA LYS A 55 3.539 -4.548 -10.489 1.00 0.00 C ATOM 879 C LYS A 55 3.599 -3.814 -9.155 1.00 0.00 C ATOM 880 O LYS A 55 4.295 -4.238 -8.230 1.00 0.00 O ATOM 881 CB LYS A 55 2.317 -5.474 -10.529 1.00 0.00 C ATOM 882 CG LYS A 55 2.424 -6.667 -9.592 1.00 0.00 C ATOM 883 CD LYS A 55 1.245 -7.612 -9.748 1.00 0.00 C ATOM 884 CE LYS A 55 1.432 -8.878 -8.925 1.00 0.00 C ATOM 885 NZ LYS A 55 2.609 -9.673 -9.376 1.00 0.00 N ATOM 0 HA LYS A 55 3.448 -3.804 -11.280 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.428 -4.899 -10.271 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.179 -5.835 -11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.351 -7.205 -9.792 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.475 -6.317 -8.561 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.330 -7.108 -9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.124 -7.875 -10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.556 -8.612 -7.875 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.533 -9.491 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.547 -10.636 -8.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.619 -9.719 -10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.483 -9.220 -9.041 1.00 0.00 H new ATOM 899 N GLY A 56 2.867 -2.715 -9.066 1.00 0.00 N ATOM 900 CA GLY A 56 2.857 -1.924 -7.863 1.00 0.00 C ATOM 901 C GLY A 56 1.896 -0.760 -7.963 1.00 0.00 C ATOM 902 O GLY A 56 1.175 -0.630 -8.955 1.00 0.00 O ATOM 0 H GLY A 56 2.275 -2.357 -9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.579 -2.553 -7.017 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.862 -1.550 -7.666 1.00 0.00 H new ATOM 906 N ILE A 57 1.886 0.081 -6.943 1.00 0.00 N ATOM 907 CA ILE A 57 1.009 1.237 -6.910 1.00 0.00 C ATOM 908 C ILE A 57 1.717 2.418 -6.248 1.00 0.00 C ATOM 909 O ILE A 57 2.506 2.234 -5.314 1.00 0.00 O ATOM 910 CB ILE A 57 -0.311 0.909 -6.167 1.00 0.00 C ATOM 911 CG1 ILE A 57 -1.303 2.069 -6.277 1.00 0.00 C ATOM 912 CG2 ILE A 57 -0.043 0.568 -4.706 1.00 0.00 C ATOM 913 CD1 ILE A 57 -2.676 1.741 -5.730 1.00 0.00 C ATOM 0 H ILE A 57 2.481 -0.017 -6.120 1.00 0.00 H new ATOM 0 HA ILE A 57 0.760 1.508 -7.936 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.755 0.035 -6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.904 2.931 -5.742 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.397 2.359 -7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -0.985 0.342 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.615 -0.299 -4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.433 1.417 -4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.328 2.608 -5.840 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.095 0.899 -6.281 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.594 1.480 -4.675 1.00 0.00 H new ATOM 925 N THR A 58 1.470 3.617 -6.756 1.00 0.00 N ATOM 926 CA THR A 58 2.096 4.819 -6.228 1.00 0.00 C ATOM 927 C THR A 58 1.164 5.557 -5.273 1.00 0.00 C ATOM 928 O THR A 58 -0.051 5.592 -5.475 1.00 0.00 O ATOM 929 CB THR A 58 2.519 5.771 -7.364 1.00 0.00 C ATOM 930 OG1 THR A 58 1.465 5.891 -8.333 1.00 0.00 O ATOM 931 CG2 THR A 58 3.783 5.275 -8.044 1.00 0.00 C ATOM 0 H THR A 58 0.836 3.783 -7.538 1.00 0.00 H new ATOM 0 HA THR A 58 2.983 4.501 -5.680 1.00 0.00 H new ATOM 0 HB THR A 58 2.719 6.749 -6.926 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.746 6.500 -9.048 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.061 5.964 -8.842 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.591 5.220 -7.314 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.605 4.285 -8.465 1.00 0.00 H new ATOM 939 N LEU A 59 1.740 6.128 -4.225 1.00 0.00 N ATOM 940 CA LEU A 59 0.978 6.891 -3.249 1.00 0.00 C ATOM 941 C LEU A 59 1.523 8.313 -3.156 1.00 0.00 C ATOM 942 O LEU A 59 2.739 8.515 -3.102 1.00 0.00 O ATOM 943 CB LEU A 59 1.057 6.225 -1.869 1.00 0.00 C ATOM 944 CG LEU A 59 0.655 4.747 -1.819 1.00 0.00 C ATOM 945 CD1 LEU A 59 0.896 4.177 -0.430 1.00 0.00 C ATOM 946 CD2 LEU A 59 -0.801 4.570 -2.209 1.00 0.00 C ATOM 0 H LEU A 59 2.740 6.076 -4.029 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.063 6.921 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.078 6.317 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.418 6.779 -1.182 1.00 0.00 H new ATOM 0 HG LEU A 59 1.273 4.204 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.605 3.127 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.953 4.265 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.303 4.730 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.063 3.513 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.433 5.129 -1.519 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.954 4.941 -3.222 1.00 0.00 H new ATOM 958 N SER A 60 0.633 9.298 -3.157 1.00 0.00 N ATOM 959 CA SER A 60 1.033 10.683 -2.968 1.00 0.00 C ATOM 960 C SER A 60 1.446 10.891 -1.511 1.00 0.00 C ATOM 961 O SER A 60 1.042 10.123 -0.639 1.00 0.00 O ATOM 962 CB SER A 60 -0.116 11.622 -3.347 1.00 0.00 C ATOM 963 OG SER A 60 0.289 12.980 -3.317 1.00 0.00 O ATOM 0 H SER A 60 -0.369 9.161 -3.287 1.00 0.00 H new ATOM 0 HA SER A 60 1.881 10.911 -3.614 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.478 11.371 -4.344 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.949 11.475 -2.660 1.00 0.00 H new ATOM 0 HG SER A 60 -0.467 13.552 -3.565 1.00 0.00 H new ATOM 969 N ASN A 61 2.247 11.920 -1.254 1.00 0.00 N ATOM 970 CA ASN A 61 2.779 12.169 0.088 1.00 0.00 C ATOM 971 C ASN A 61 1.657 12.290 1.119 1.00 0.00 C ATOM 972 O ASN A 61 1.699 11.648 2.169 1.00 0.00 O ATOM 973 CB ASN A 61 3.634 13.439 0.089 1.00 0.00 C ATOM 974 CG ASN A 61 4.310 13.692 1.425 1.00 0.00 C ATOM 975 OD1 ASN A 61 5.410 13.206 1.676 1.00 0.00 O ATOM 976 ND2 ASN A 61 3.666 14.466 2.287 1.00 0.00 N ATOM 0 H ASN A 61 2.544 12.598 -1.956 1.00 0.00 H new ATOM 0 HA ASN A 61 3.400 11.317 0.366 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.394 13.361 -0.688 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.007 14.294 -0.163 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.083 14.676 3.194 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.754 14.852 2.043 1.00 0.00 H new ATOM 983 N GLU A 62 0.654 13.104 0.807 1.00 0.00 N ATOM 984 CA GLU A 62 -0.480 13.302 1.701 1.00 0.00 C ATOM 985 C GLU A 62 -1.249 11.998 1.903 1.00 0.00 C ATOM 986 O GLU A 62 -1.650 11.674 3.021 1.00 0.00 O ATOM 987 CB GLU A 62 -1.403 14.389 1.145 1.00 0.00 C ATOM 988 CG GLU A 62 -2.544 14.769 2.076 1.00 0.00 C ATOM 989 CD GLU A 62 -3.341 15.949 1.559 1.00 0.00 C ATOM 990 OE1 GLU A 62 -4.287 15.738 0.770 1.00 0.00 O ATOM 991 OE2 GLU A 62 -3.020 17.099 1.932 1.00 0.00 O ATOM 0 H GLU A 62 0.604 13.638 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.102 13.623 2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.811 15.279 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.820 14.047 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.207 13.913 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.142 15.009 3.060 1.00 0.00 H new ATOM 998 N GLU A 63 -1.436 11.244 0.824 1.00 0.00 N ATOM 999 CA GLU A 63 -2.146 9.969 0.893 1.00 0.00 C ATOM 1000 C GLU A 63 -1.392 8.999 1.793 1.00 0.00 C ATOM 1001 O GLU A 63 -1.985 8.315 2.632 1.00 0.00 O ATOM 1002 CB GLU A 63 -2.292 9.352 -0.496 1.00 0.00 C ATOM 1003 CG GLU A 63 -2.947 10.263 -1.515 1.00 0.00 C ATOM 1004 CD GLU A 63 -3.129 9.581 -2.853 1.00 0.00 C ATOM 1005 OE1 GLU A 63 -2.115 9.298 -3.527 1.00 0.00 O ATOM 1006 OE2 GLU A 63 -4.283 9.317 -3.239 1.00 0.00 O ATOM 0 H GLU A 63 -1.106 11.493 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.138 10.158 1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.305 9.068 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.877 8.436 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.917 10.588 -1.139 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.339 11.158 -1.644 1.00 0.00 H new ATOM 1013 N PHE A 64 -0.079 8.959 1.605 1.00 0.00 N ATOM 1014 CA PHE A 64 0.796 8.095 2.381 1.00 0.00 C ATOM 1015 C PHE A 64 0.668 8.424 3.866 1.00 0.00 C ATOM 1016 O PHE A 64 0.443 7.539 4.686 1.00 0.00 O ATOM 1017 CB PHE A 64 2.243 8.275 1.914 1.00 0.00 C ATOM 1018 CG PHE A 64 3.167 7.158 2.308 1.00 0.00 C ATOM 1019 CD1 PHE A 64 3.198 5.986 1.574 1.00 0.00 C ATOM 1020 CD2 PHE A 64 4.019 7.289 3.389 1.00 0.00 C ATOM 1021 CE1 PHE A 64 4.060 4.962 1.915 1.00 0.00 C ATOM 1022 CE2 PHE A 64 4.880 6.268 3.735 1.00 0.00 C ATOM 1023 CZ PHE A 64 4.900 5.105 2.997 1.00 0.00 C ATOM 0 H PHE A 64 0.408 9.525 0.910 1.00 0.00 H new ATOM 0 HA PHE A 64 0.505 7.055 2.231 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.252 8.371 0.828 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.629 9.210 2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.541 5.870 0.725 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.010 8.200 3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.075 4.051 1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.538 6.381 4.584 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.574 4.306 3.267 1.00 0.00 H new ATOM 1033 N GLN A 65 0.780 9.707 4.197 1.00 0.00 N ATOM 1034 CA GLN A 65 0.636 10.162 5.577 1.00 0.00 C ATOM 1035 C GLN A 65 -0.741 9.795 6.132 1.00 0.00 C ATOM 1036 O GLN A 65 -0.862 9.363 7.277 1.00 0.00 O ATOM 1037 CB GLN A 65 0.856 11.679 5.660 1.00 0.00 C ATOM 1038 CG GLN A 65 0.602 12.264 7.046 1.00 0.00 C ATOM 1039 CD GLN A 65 1.487 11.653 8.116 1.00 0.00 C ATOM 1040 OE1 GLN A 65 2.622 11.272 7.859 1.00 0.00 O ATOM 1041 NE2 GLN A 65 0.965 11.554 9.326 1.00 0.00 N ATOM 0 H GLN A 65 0.971 10.452 3.527 1.00 0.00 H new ATOM 0 HA GLN A 65 1.391 9.661 6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.880 11.905 5.363 1.00 0.00 H new ATOM 0 HB3 GLN A 65 0.200 12.172 4.942 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.767 13.341 7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.443 12.109 7.314 1.00 0.00 H new ATOM 0 HE21 GLN A 65 0.015 11.883 9.500 1.00 0.00 H new ATOM 0 HE22 GLN A 65 1.512 11.149 10.086 1.00 0.00 H new ATOM 1050 N THR A 66 -1.767 9.954 5.301 1.00 0.00 N ATOM 1051 CA THR A 66 -3.142 9.659 5.691 1.00 0.00 C ATOM 1052 C THR A 66 -3.283 8.233 6.233 1.00 0.00 C ATOM 1053 O THR A 66 -3.831 8.022 7.318 1.00 0.00 O ATOM 1054 CB THR A 66 -4.103 9.854 4.498 1.00 0.00 C ATOM 1055 OG1 THR A 66 -4.031 11.206 4.026 1.00 0.00 O ATOM 1056 CG2 THR A 66 -5.538 9.528 4.884 1.00 0.00 C ATOM 0 H THR A 66 -1.670 10.289 4.343 1.00 0.00 H new ATOM 0 HA THR A 66 -3.406 10.357 6.486 1.00 0.00 H new ATOM 0 HB THR A 66 -3.796 9.170 3.707 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.126 11.390 3.698 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.189 9.675 4.022 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.600 8.490 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.855 10.184 5.695 1.00 0.00 H new ATOM 1064 N MET A 67 -2.786 7.257 5.482 1.00 0.00 N ATOM 1065 CA MET A 67 -2.862 5.868 5.909 1.00 0.00 C ATOM 1066 C MET A 67 -1.971 5.638 7.127 1.00 0.00 C ATOM 1067 O MET A 67 -2.340 4.906 8.041 1.00 0.00 O ATOM 1068 CB MET A 67 -2.458 4.915 4.773 1.00 0.00 C ATOM 1069 CG MET A 67 -0.961 4.874 4.513 1.00 0.00 C ATOM 1070 SD MET A 67 -0.480 3.675 3.261 1.00 0.00 S ATOM 1071 CE MET A 67 1.298 3.742 3.449 1.00 0.00 C ATOM 0 H MET A 67 -2.330 7.401 4.581 1.00 0.00 H new ATOM 0 HA MET A 67 -3.897 5.656 6.179 1.00 0.00 H new ATOM 0 HB2 MET A 67 -2.804 3.910 5.014 1.00 0.00 H new ATOM 0 HB3 MET A 67 -2.968 5.217 3.859 1.00 0.00 H new ATOM 0 HG2 MET A 67 -0.627 5.864 4.203 1.00 0.00 H new ATOM 0 HG3 MET A 67 -0.445 4.641 5.444 1.00 0.00 H new ATOM 0 HE1 MET A 67 1.774 3.370 2.542 1.00 0.00 H new ATOM 0 HE2 MET A 67 1.607 4.773 3.624 1.00 0.00 H new ATOM 0 HE3 MET A 67 1.598 3.124 4.296 1.00 0.00 H new ATOM 1081 N VAL A 68 -0.814 6.299 7.144 1.00 0.00 N ATOM 1082 CA VAL A 68 0.164 6.106 8.205 1.00 0.00 C ATOM 1083 C VAL A 68 -0.420 6.441 9.570 1.00 0.00 C ATOM 1084 O VAL A 68 -0.367 5.618 10.476 1.00 0.00 O ATOM 1085 CB VAL A 68 1.449 6.928 7.955 1.00 0.00 C ATOM 1086 CG1 VAL A 68 2.324 6.990 9.204 1.00 0.00 C ATOM 1087 CG2 VAL A 68 2.235 6.328 6.800 1.00 0.00 C ATOM 0 H VAL A 68 -0.534 6.973 6.432 1.00 0.00 H new ATOM 0 HA VAL A 68 0.432 5.049 8.197 1.00 0.00 H new ATOM 0 HB VAL A 68 1.152 7.946 7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.219 7.575 8.993 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.767 7.458 10.015 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.612 5.980 9.497 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.139 6.914 6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.508 5.301 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.622 6.339 5.899 1.00 0.00 H new ATOM 1097 N ASP A 69 -1.008 7.624 9.715 1.00 0.00 N ATOM 1098 CA ASP A 69 -1.555 8.026 11.010 1.00 0.00 C ATOM 1099 C ASP A 69 -2.813 7.222 11.344 1.00 0.00 C ATOM 1100 O ASP A 69 -3.059 6.881 12.510 1.00 0.00 O ATOM 1101 CB ASP A 69 -1.850 9.532 11.057 1.00 0.00 C ATOM 1102 CG ASP A 69 -3.040 9.954 10.219 1.00 0.00 C ATOM 1103 OD1 ASP A 69 -4.181 9.887 10.719 1.00 0.00 O ATOM 1104 OD2 ASP A 69 -2.835 10.395 9.073 1.00 0.00 O ATOM 0 H ASP A 69 -1.118 8.311 8.969 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.797 7.812 11.764 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.025 9.825 12.092 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.968 10.075 10.717 1.00 0.00 H new ATOM 1109 N ALA A 70 -3.588 6.894 10.317 1.00 0.00 N ATOM 1110 CA ALA A 70 -4.819 6.138 10.501 1.00 0.00 C ATOM 1111 C ALA A 70 -4.524 4.728 11.004 1.00 0.00 C ATOM 1112 O ALA A 70 -5.099 4.282 12.002 1.00 0.00 O ATOM 1113 CB ALA A 70 -5.609 6.086 9.206 1.00 0.00 C ATOM 0 H ALA A 70 -3.385 7.140 9.348 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.420 6.647 11.255 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.526 5.517 9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.859 7.099 8.892 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.010 5.604 8.433 1.00 0.00 H new ATOM 1119 N PHE A 71 -3.620 4.031 10.322 1.00 0.00 N ATOM 1120 CA PHE A 71 -3.223 2.687 10.735 1.00 0.00 C ATOM 1121 C PHE A 71 -2.309 2.744 11.956 1.00 0.00 C ATOM 1122 O PHE A 71 -2.109 1.746 12.645 1.00 0.00 O ATOM 1123 CB PHE A 71 -2.532 1.936 9.595 1.00 0.00 C ATOM 1124 CG PHE A 71 -3.431 1.629 8.426 1.00 0.00 C ATOM 1125 CD1 PHE A 71 -4.588 0.876 8.589 1.00 0.00 C ATOM 1126 CD2 PHE A 71 -3.116 2.095 7.162 1.00 0.00 C ATOM 1127 CE1 PHE A 71 -5.406 0.597 7.507 1.00 0.00 C ATOM 1128 CE2 PHE A 71 -3.929 1.819 6.083 1.00 0.00 C ATOM 1129 CZ PHE A 71 -5.073 1.069 6.254 1.00 0.00 C ATOM 0 H PHE A 71 -3.149 4.372 9.484 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.130 2.144 11.000 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.687 2.528 9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.127 1.001 9.983 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.851 0.505 9.569 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.221 2.683 7.018 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.303 0.011 7.644 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.669 2.191 5.103 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.708 0.851 5.408 1.00 0.00 H new ATOM 1139 N LYS A 72 -1.745 3.918 12.215 1.00 0.00 N ATOM 1140 CA LYS A 72 -0.972 4.144 13.432 1.00 0.00 C ATOM 1141 C LYS A 72 -1.893 4.038 14.638 1.00 0.00 C ATOM 1142 O LYS A 72 -1.489 3.606 15.719 1.00 0.00 O ATOM 1143 CB LYS A 72 -0.310 5.524 13.393 1.00 0.00 C ATOM 1144 CG LYS A 72 0.638 5.806 14.544 1.00 0.00 C ATOM 1145 CD LYS A 72 1.320 7.152 14.367 1.00 0.00 C ATOM 1146 CE LYS A 72 2.373 7.407 15.433 1.00 0.00 C ATOM 1147 NZ LYS A 72 1.789 7.453 16.797 1.00 0.00 N ATOM 0 H LYS A 72 -1.808 4.729 11.599 1.00 0.00 H new ATOM 0 HA LYS A 72 -0.189 3.390 13.506 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.238 5.622 12.456 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.090 6.286 13.387 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.088 5.793 15.485 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.389 5.018 14.603 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.785 7.195 13.382 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.572 7.944 14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.129 6.623 15.389 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.879 8.350 15.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.523 7.729 17.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.016 8.148 16.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.418 6.514 17.048 1.00 0.00 H new ATOM 1161 N GLY A 73 -3.140 4.421 14.425 1.00 0.00 N ATOM 1162 CA GLY A 73 -4.130 4.352 15.477 1.00 0.00 C ATOM 1163 C GLY A 73 -4.648 2.944 15.708 1.00 0.00 C ATOM 1164 O GLY A 73 -4.531 2.402 16.809 1.00 0.00 O ATOM 0 H GLY A 73 -3.487 4.781 13.536 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.697 4.731 16.403 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.966 5.005 15.226 1.00 0.00 H new ATOM 1168 N ASN A 74 -5.205 2.341 14.670 1.00 0.00 N ATOM 1169 CA ASN A 74 -5.849 1.036 14.802 1.00 0.00 C ATOM 1170 C ASN A 74 -4.859 -0.091 14.491 1.00 0.00 C ATOM 1171 O ASN A 74 -3.680 0.163 14.230 1.00 0.00 O ATOM 1172 CB ASN A 74 -7.066 0.960 13.867 1.00 0.00 C ATOM 1173 CG ASN A 74 -8.157 0.022 14.366 1.00 0.00 C ATOM 1174 OD1 ASN A 74 -7.893 -0.950 15.076 1.00 0.00 O ATOM 1175 ND2 ASN A 74 -9.397 0.309 13.998 1.00 0.00 N ATOM 0 H ASN A 74 -5.226 2.730 13.727 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.186 0.913 15.831 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.484 1.959 13.746 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.737 0.630 12.881 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.170 -0.283 14.303 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.579 1.122 13.409 1.00 0.00 H new ATOM 1182 N LEU A 75 -5.345 -1.333 14.553 1.00 0.00 N ATOM 1183 CA LEU A 75 -4.556 -2.531 14.244 1.00 0.00 C ATOM 1184 C LEU A 75 -3.349 -2.660 15.182 1.00 0.00 C ATOM 1185 O LEU A 75 -3.143 -1.814 16.060 1.00 0.00 O ATOM 1186 CB LEU A 75 -4.107 -2.516 12.773 1.00 0.00 C ATOM 1187 CG LEU A 75 -3.679 -3.874 12.207 1.00 0.00 C ATOM 1188 CD1 LEU A 75 -4.831 -4.864 12.256 1.00 0.00 C ATOM 1189 CD2 LEU A 75 -3.167 -3.721 10.784 1.00 0.00 C ATOM 0 H LEU A 75 -6.307 -1.539 14.822 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.191 -3.402 14.402 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.924 -2.128 12.165 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.275 -1.819 12.671 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.869 -4.262 12.825 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.505 -5.821 11.849 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.151 -4.999 13.289 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.664 -4.483 11.665 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.868 -4.696 10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.957 -3.309 10.156 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.309 -3.049 10.776 1.00 0.00 H new ATOM 1201 N GLU A 76 -2.573 -3.737 15.008 1.00 0.00 N ATOM 1202 CA GLU A 76 -1.382 -4.006 15.821 1.00 0.00 C ATOM 1203 C GLU A 76 -1.766 -4.424 17.248 1.00 0.00 C ATOM 1204 O GLU A 76 -1.328 -5.466 17.733 1.00 0.00 O ATOM 1205 CB GLU A 76 -0.433 -2.796 15.786 1.00 0.00 C ATOM 1206 CG GLU A 76 0.727 -2.853 16.761 1.00 0.00 C ATOM 1207 CD GLU A 76 0.439 -2.062 18.015 1.00 0.00 C ATOM 1208 OE1 GLU A 76 0.148 -0.853 17.898 1.00 0.00 O ATOM 1209 OE2 GLU A 76 0.473 -2.638 19.116 1.00 0.00 O ATOM 0 H GLU A 76 -2.754 -4.447 14.298 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.843 -4.852 15.394 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.033 -2.698 14.777 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.012 -1.895 15.988 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.931 -3.891 17.024 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.625 -2.463 16.282 1.00 0.00 H new ATOM 1451 N THR B 8 -13.550 -15.315 -7.988 1.00 0.00 N ATOM 1452 CA THR B 8 -14.403 -14.299 -7.400 1.00 0.00 C ATOM 1453 C THR B 8 -13.636 -13.422 -6.419 1.00 0.00 C ATOM 1454 O THR B 8 -12.880 -13.915 -5.580 1.00 0.00 O ATOM 1455 CB THR B 8 -15.610 -14.933 -6.689 1.00 0.00 C ATOM 1456 OG1 THR B 8 -15.176 -16.016 -5.856 1.00 0.00 O ATOM 1457 CG2 THR B 8 -16.626 -15.437 -7.697 1.00 0.00 C ATOM 0 HA THR B 8 -14.760 -13.673 -8.218 1.00 0.00 H new ATOM 0 HB THR B 8 -16.083 -14.169 -6.072 1.00 0.00 H new ATOM 0 HG1 THR B 8 -15.951 -16.413 -5.406 1.00 0.00 H new ATOM 0 HG21 THR B 8 -17.471 -15.881 -7.171 1.00 0.00 H new ATOM 0 HG22 THR B 8 -16.976 -14.605 -8.308 1.00 0.00 H new ATOM 0 HG23 THR B 8 -16.162 -16.187 -8.337 1.00 0.00 H new ATOM 1465 N PHE B 9 -13.814 -12.119 -6.559 1.00 0.00 N ATOM 1466 CA PHE B 9 -13.259 -11.158 -5.622 1.00 0.00 C ATOM 1467 C PHE B 9 -14.297 -10.085 -5.304 1.00 0.00 C ATOM 1468 O PHE B 9 -14.787 -9.393 -6.198 1.00 0.00 O ATOM 1469 CB PHE B 9 -11.958 -10.540 -6.167 1.00 0.00 C ATOM 1470 CG PHE B 9 -12.021 -10.083 -7.601 1.00 0.00 C ATOM 1471 CD1 PHE B 9 -12.422 -8.795 -7.919 1.00 0.00 C ATOM 1472 CD2 PHE B 9 -11.661 -10.940 -8.630 1.00 0.00 C ATOM 1473 CE1 PHE B 9 -12.467 -8.373 -9.233 1.00 0.00 C ATOM 1474 CE2 PHE B 9 -11.706 -10.523 -9.947 1.00 0.00 C ATOM 1475 CZ PHE B 9 -12.109 -9.238 -10.249 1.00 0.00 C ATOM 0 H PHE B 9 -14.345 -11.699 -7.322 1.00 0.00 H new ATOM 0 HA PHE B 9 -13.005 -11.676 -4.697 1.00 0.00 H new ATOM 0 HB2 PHE B 9 -11.688 -9.689 -5.542 1.00 0.00 H new ATOM 0 HB3 PHE B 9 -11.157 -11.273 -6.070 1.00 0.00 H new ATOM 0 HD1 PHE B 9 -12.703 -8.113 -7.130 1.00 0.00 H new ATOM 0 HD2 PHE B 9 -11.342 -11.946 -8.400 1.00 0.00 H new ATOM 0 HE1 PHE B 9 -12.782 -7.367 -9.466 1.00 0.00 H new ATOM 0 HE2 PHE B 9 -11.426 -11.202 -10.739 1.00 0.00 H new ATOM 0 HZ PHE B 9 -12.144 -8.909 -11.277 1.00 0.00 H new ATOM 1485 N GLU B 10 -14.657 -9.975 -4.035 1.00 0.00 N ATOM 1486 CA GLU B 10 -15.683 -9.036 -3.608 1.00 0.00 C ATOM 1487 C GLU B 10 -15.248 -8.323 -2.330 1.00 0.00 C ATOM 1488 O GLU B 10 -14.636 -8.929 -1.459 1.00 0.00 O ATOM 1489 CB GLU B 10 -17.004 -9.786 -3.390 1.00 0.00 C ATOM 1490 CG GLU B 10 -18.166 -8.890 -2.998 1.00 0.00 C ATOM 1491 CD GLU B 10 -19.465 -9.655 -2.861 1.00 0.00 C ATOM 1492 OE1 GLU B 10 -19.679 -10.290 -1.810 1.00 0.00 O ATOM 1493 OE2 GLU B 10 -20.285 -9.618 -3.803 1.00 0.00 O ATOM 0 H GLU B 10 -14.252 -10.527 -3.279 1.00 0.00 H new ATOM 0 HA GLU B 10 -15.829 -8.283 -4.382 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -17.262 -10.319 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -16.860 -10.537 -2.613 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -17.937 -8.396 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -18.286 -8.107 -3.747 1.00 0.00 H new ATOM 1500 N ILE B 11 -15.549 -7.038 -2.227 1.00 0.00 N ATOM 1501 CA ILE B 11 -15.164 -6.256 -1.059 1.00 0.00 C ATOM 1502 C ILE B 11 -16.236 -6.361 0.021 1.00 0.00 C ATOM 1503 O ILE B 11 -17.369 -5.919 -0.177 1.00 0.00 O ATOM 1504 CB ILE B 11 -14.921 -4.762 -1.406 1.00 0.00 C ATOM 1505 CG1 ILE B 11 -13.712 -4.598 -2.342 1.00 0.00 C ATOM 1506 CG2 ILE B 11 -14.719 -3.942 -0.138 1.00 0.00 C ATOM 1507 CD1 ILE B 11 -13.970 -4.987 -3.785 1.00 0.00 C ATOM 0 H ILE B 11 -16.059 -6.513 -2.937 1.00 0.00 H new ATOM 0 HA ILE B 11 -14.225 -6.669 -0.692 1.00 0.00 H new ATOM 0 HB ILE B 11 -15.806 -4.394 -1.925 1.00 0.00 H new ATOM 0 HG12 ILE B 11 -13.386 -3.558 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -12.889 -5.201 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE B 11 -14.550 -2.898 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE B 11 -15.607 -4.018 0.490 1.00 0.00 H new ATOM 0 HG23 ILE B 11 -13.855 -4.322 0.407 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -13.062 -4.838 -4.370 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -14.264 -6.035 -3.832 1.00 0.00 H new ATOM 0 HD13 ILE B 11 -14.769 -4.367 -4.192 1.00 0.00 H new ATOM 1519 N GLU B 12 -15.884 -6.957 1.153 1.00 0.00 N ATOM 1520 CA GLU B 12 -16.834 -7.133 2.246 1.00 0.00 C ATOM 1521 C GLU B 12 -16.673 -6.050 3.308 1.00 0.00 C ATOM 1522 O GLU B 12 -17.611 -5.751 4.049 1.00 0.00 O ATOM 1523 CB GLU B 12 -16.670 -8.515 2.891 1.00 0.00 C ATOM 1524 CG GLU B 12 -15.283 -8.763 3.468 1.00 0.00 C ATOM 1525 CD GLU B 12 -15.196 -10.066 4.233 1.00 0.00 C ATOM 1526 OE1 GLU B 12 -15.407 -11.136 3.625 1.00 0.00 O ATOM 1527 OE2 GLU B 12 -14.922 -10.030 5.450 1.00 0.00 O ATOM 0 H GLU B 12 -14.951 -7.326 1.339 1.00 0.00 H new ATOM 0 HA GLU B 12 -17.834 -7.052 1.820 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -17.409 -8.625 3.685 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -16.886 -9.281 2.146 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -14.553 -8.772 2.659 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -15.016 -7.939 4.130 1.00 0.00 H new ATOM 1534 N GLU B 13 -15.487 -5.458 3.377 1.00 0.00 N ATOM 1535 CA GLU B 13 -15.178 -4.506 4.435 1.00 0.00 C ATOM 1536 C GLU B 13 -14.270 -3.395 3.919 1.00 0.00 C ATOM 1537 O GLU B 13 -13.279 -3.656 3.232 1.00 0.00 O ATOM 1538 CB GLU B 13 -14.511 -5.237 5.603 1.00 0.00 C ATOM 1539 CG GLU B 13 -14.241 -4.357 6.812 1.00 0.00 C ATOM 1540 CD GLU B 13 -13.617 -5.132 7.950 1.00 0.00 C ATOM 1541 OE1 GLU B 13 -14.368 -5.698 8.774 1.00 0.00 O ATOM 1542 OE2 GLU B 13 -12.374 -5.206 8.016 1.00 0.00 O ATOM 0 H GLU B 13 -14.727 -5.620 2.716 1.00 0.00 H new ATOM 0 HA GLU B 13 -16.107 -4.050 4.777 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -15.146 -6.069 5.907 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -13.569 -5.664 5.260 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -13.580 -3.540 6.525 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -15.175 -3.908 7.149 1.00 0.00 H new ATOM 1549 N HIS B 14 -14.612 -2.161 4.250 1.00 0.00 N ATOM 1550 CA HIS B 14 -13.820 -1.015 3.850 1.00 0.00 C ATOM 1551 C HIS B 14 -12.857 -0.651 4.974 1.00 0.00 C ATOM 1552 O HIS B 14 -13.203 -0.756 6.147 1.00 0.00 O ATOM 1553 CB HIS B 14 -14.732 0.169 3.528 1.00 0.00 C ATOM 1554 CG HIS B 14 -14.085 1.196 2.658 1.00 0.00 C ATOM 1555 ND1 HIS B 14 -13.553 2.375 3.136 1.00 0.00 N ATOM 1556 CD2 HIS B 14 -13.879 1.210 1.324 1.00 0.00 C ATOM 1557 CE1 HIS B 14 -13.050 3.065 2.130 1.00 0.00 C ATOM 1558 NE2 HIS B 14 -13.236 2.379 1.022 1.00 0.00 N ATOM 0 H HIS B 14 -15.440 -1.929 4.799 1.00 0.00 H new ATOM 0 HA HIS B 14 -13.250 -1.263 2.955 1.00 0.00 H new ATOM 0 HB2 HIS B 14 -15.632 -0.199 3.036 1.00 0.00 H new ATOM 0 HB3 HIS B 14 -15.047 0.639 4.459 1.00 0.00 H new ATOM 0 HD2 HIS B 14 -14.169 0.440 0.624 1.00 0.00 H new ATOM 0 HE1 HIS B 14 -12.568 4.029 2.203 1.00 0.00 H new ATOM 0 HE2 HIS B 14 -12.947 2.672 0.089 1.00 0.00 H new ATOM 1567 N LEU B 15 -11.649 -0.241 4.619 1.00 0.00 N ATOM 1568 CA LEU B 15 -10.632 0.052 5.619 1.00 0.00 C ATOM 1569 C LEU B 15 -10.288 1.534 5.665 1.00 0.00 C ATOM 1570 O LEU B 15 -10.609 2.225 6.630 1.00 0.00 O ATOM 1571 CB LEU B 15 -9.364 -0.749 5.334 1.00 0.00 C ATOM 1572 CG LEU B 15 -9.497 -2.261 5.487 1.00 0.00 C ATOM 1573 CD1 LEU B 15 -8.250 -2.947 4.963 1.00 0.00 C ATOM 1574 CD2 LEU B 15 -9.728 -2.629 6.944 1.00 0.00 C ATOM 0 H LEU B 15 -11.350 -0.104 3.654 1.00 0.00 H new ATOM 0 HA LEU B 15 -11.043 -0.233 6.587 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.038 -0.531 4.317 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -8.577 -0.401 6.003 1.00 0.00 H new ATOM 0 HG LEU B 15 -10.356 -2.597 4.906 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.354 -4.026 5.076 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -8.117 -2.704 3.909 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -7.382 -2.605 5.527 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -9.821 -3.711 7.036 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -8.886 -2.285 7.544 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -10.643 -2.155 7.298 1.00 0.00 H new ATOM 1586 N LEU B 16 -9.644 2.015 4.614 1.00 0.00 N ATOM 1587 CA LEU B 16 -9.072 3.352 4.625 1.00 0.00 C ATOM 1588 C LEU B 16 -9.395 4.093 3.338 1.00 0.00 C ATOM 1589 O LEU B 16 -9.179 3.573 2.244 1.00 0.00 O ATOM 1590 CB LEU B 16 -7.551 3.245 4.784 1.00 0.00 C ATOM 1591 CG LEU B 16 -6.915 4.146 5.846 1.00 0.00 C ATOM 1592 CD1 LEU B 16 -7.072 5.617 5.494 1.00 0.00 C ATOM 1593 CD2 LEU B 16 -7.514 3.863 7.212 1.00 0.00 C ATOM 0 H LEU B 16 -9.504 1.501 3.744 1.00 0.00 H new ATOM 0 HA LEU B 16 -9.501 3.909 5.458 1.00 0.00 H new ATOM 0 HB2 LEU B 16 -7.304 2.210 5.021 1.00 0.00 H new ATOM 0 HB3 LEU B 16 -7.090 3.471 3.823 1.00 0.00 H new ATOM 0 HG LEU B 16 -5.849 3.921 5.876 1.00 0.00 H new ATOM 0 HD11 LEU B 16 -6.609 6.228 6.269 1.00 0.00 H new ATOM 0 HD12 LEU B 16 -6.588 5.816 4.538 1.00 0.00 H new ATOM 0 HD13 LEU B 16 -8.131 5.863 5.422 1.00 0.00 H new ATOM 0 HD21 LEU B 16 -7.050 4.512 7.954 1.00 0.00 H new ATOM 0 HD22 LEU B 16 -8.587 4.052 7.185 1.00 0.00 H new ATOM 0 HD23 LEU B 16 -7.335 2.821 7.479 1.00 0.00 H new ATOM 1605 N THR B 17 -9.921 5.294 3.468 1.00 0.00 N ATOM 1606 CA THR B 17 -10.086 6.167 2.324 1.00 0.00 C ATOM 1607 C THR B 17 -8.929 7.154 2.284 1.00 0.00 C ATOM 1608 O THR B 17 -8.867 8.079 3.093 1.00 0.00 O ATOM 1609 CB THR B 17 -11.420 6.933 2.378 1.00 0.00 C ATOM 1610 OG1 THR B 17 -12.502 6.014 2.574 1.00 0.00 O ATOM 1611 CG2 THR B 17 -11.642 7.717 1.090 1.00 0.00 C ATOM 0 H THR B 17 -10.241 5.687 4.353 1.00 0.00 H new ATOM 0 HA THR B 17 -10.095 5.554 1.423 1.00 0.00 H new ATOM 0 HB THR B 17 -11.382 7.634 3.212 1.00 0.00 H new ATOM 0 HG1 THR B 17 -13.348 6.507 2.609 1.00 0.00 H new ATOM 0 HG21 THR B 17 -12.590 8.251 1.148 1.00 0.00 H new ATOM 0 HG22 THR B 17 -10.830 8.432 0.955 1.00 0.00 H new ATOM 0 HG23 THR B 17 -11.664 7.029 0.245 1.00 0.00 H new ATOM 1619 N LEU B 18 -7.997 6.933 1.367 1.00 0.00 N ATOM 1620 CA LEU B 18 -6.809 7.767 1.287 1.00 0.00 C ATOM 1621 C LEU B 18 -7.156 9.136 0.726 1.00 0.00 C ATOM 1622 O LEU B 18 -7.221 10.119 1.468 1.00 0.00 O ATOM 1623 CB LEU B 18 -5.733 7.100 0.430 1.00 0.00 C ATOM 1624 CG LEU B 18 -5.271 5.724 0.917 1.00 0.00 C ATOM 1625 CD1 LEU B 18 -4.136 5.207 0.049 1.00 0.00 C ATOM 1626 CD2 LEU B 18 -4.838 5.789 2.372 1.00 0.00 C ATOM 0 H LEU B 18 -8.041 6.187 0.672 1.00 0.00 H new ATOM 0 HA LEU B 18 -6.415 7.893 2.295 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -6.112 6.999 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -4.867 7.761 0.383 1.00 0.00 H new ATOM 0 HG LEU B 18 -6.110 5.033 0.839 1.00 0.00 H new ATOM 0 HD11 LEU B 18 -3.820 4.228 0.409 1.00 0.00 H new ATOM 0 HD12 LEU B 18 -4.477 5.121 -0.983 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -3.296 5.900 0.097 1.00 0.00 H new ATOM 0 HD21 LEU B 18 -4.513 4.801 2.699 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -4.014 6.495 2.475 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -5.676 6.118 2.987 1.00 0.00 H new ATOM 1638 N SER B 19 -7.398 9.195 -0.574 1.00 0.00 N ATOM 1639 CA SER B 19 -7.730 10.451 -1.234 1.00 0.00 C ATOM 1640 C SER B 19 -8.344 10.195 -2.600 1.00 0.00 C ATOM 1641 O SER B 19 -8.195 9.109 -3.169 1.00 0.00 O ATOM 1642 CB SER B 19 -6.480 11.329 -1.400 1.00 0.00 C ATOM 1643 OG SER B 19 -5.985 11.773 -0.145 1.00 0.00 O ATOM 0 H SER B 19 -7.371 8.387 -1.196 1.00 0.00 H new ATOM 0 HA SER B 19 -8.453 10.972 -0.606 1.00 0.00 H new ATOM 0 HB2 SER B 19 -5.705 10.766 -1.919 1.00 0.00 H new ATOM 0 HB3 SER B 19 -6.719 12.191 -2.023 1.00 0.00 H new ATOM 0 HG SER B 19 -6.618 11.527 0.562 1.00 0.00 H new ATOM 1649 N GLU B 20 -9.047 11.189 -3.117 1.00 0.00 N ATOM 1650 CA GLU B 20 -9.538 11.134 -4.476 1.00 0.00 C ATOM 1651 C GLU B 20 -8.611 11.929 -5.382 1.00 0.00 C ATOM 1652 O GLU B 20 -8.518 13.154 -5.283 1.00 0.00 O ATOM 1653 CB GLU B 20 -10.966 11.668 -4.570 1.00 0.00 C ATOM 1654 CG GLU B 20 -11.517 11.683 -5.989 1.00 0.00 C ATOM 1655 CD GLU B 20 -12.941 12.188 -6.053 1.00 0.00 C ATOM 1656 OE1 GLU B 20 -13.335 12.985 -5.174 1.00 0.00 O ATOM 1657 OE2 GLU B 20 -13.679 11.782 -6.974 1.00 0.00 O ATOM 0 H GLU B 20 -9.288 12.042 -2.613 1.00 0.00 H new ATOM 0 HA GLU B 20 -9.554 10.093 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -11.616 11.057 -3.943 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -10.994 12.680 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -10.884 12.312 -6.614 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -11.473 10.676 -6.403 1.00 0.00 H new ATOM 1664 N ASN B 21 -7.912 11.219 -6.244 1.00 0.00 N ATOM 1665 CA ASN B 21 -6.989 11.832 -7.181 1.00 0.00 C ATOM 1666 C ASN B 21 -7.777 12.377 -8.356 1.00 0.00 C ATOM 1667 O ASN B 21 -8.573 11.646 -8.970 1.00 0.00 O ATOM 1668 CB ASN B 21 -5.959 10.809 -7.672 1.00 0.00 C ATOM 1669 CG ASN B 21 -5.290 10.051 -6.538 1.00 0.00 C ATOM 1670 OD1 ASN B 21 -4.942 8.881 -6.686 1.00 0.00 O ATOM 1671 ND2 ASN B 21 -5.103 10.710 -5.401 1.00 0.00 N ATOM 0 H ASN B 21 -7.967 10.203 -6.316 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.454 12.641 -6.683 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -6.449 10.098 -8.337 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -5.197 11.322 -8.259 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.656 10.246 -4.610 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -5.406 11.680 -5.318 1.00 0.00 H new ATOM 1678 N GLU B 22 -7.583 13.661 -8.649 1.00 0.00 N ATOM 1679 CA GLU B 22 -8.347 14.330 -9.689 1.00 0.00 C ATOM 1680 C GLU B 22 -9.835 14.236 -9.345 1.00 0.00 C ATOM 1681 O GLU B 22 -10.195 14.019 -8.184 1.00 0.00 O ATOM 1682 CB GLU B 22 -8.050 13.690 -11.056 1.00 0.00 C ATOM 1683 CG GLU B 22 -6.564 13.591 -11.359 1.00 0.00 C ATOM 1684 CD GLU B 22 -6.267 12.838 -12.640 1.00 0.00 C ATOM 1685 OE1 GLU B 22 -6.608 11.640 -12.731 1.00 0.00 O ATOM 1686 OE2 GLU B 22 -5.663 13.430 -13.558 1.00 0.00 O ATOM 0 H GLU B 22 -6.901 14.256 -8.178 1.00 0.00 H new ATOM 0 HA GLU B 22 -8.063 15.381 -9.747 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.488 12.692 -11.086 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.536 14.275 -11.837 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.146 14.595 -11.430 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -6.062 13.095 -10.528 1.00 0.00 H new ATOM 1693 N LYS B 23 -10.704 14.415 -10.317 1.00 0.00 N ATOM 1694 CA LYS B 23 -12.124 14.229 -10.077 1.00 0.00 C ATOM 1695 C LYS B 23 -12.591 12.924 -10.703 1.00 0.00 C ATOM 1696 O LYS B 23 -12.942 12.876 -11.883 1.00 0.00 O ATOM 1697 CB LYS B 23 -12.936 15.416 -10.606 1.00 0.00 C ATOM 1698 CG LYS B 23 -12.749 16.688 -9.790 1.00 0.00 C ATOM 1699 CD LYS B 23 -13.364 16.565 -8.402 1.00 0.00 C ATOM 1700 CE LYS B 23 -13.091 17.801 -7.558 1.00 0.00 C ATOM 1701 NZ LYS B 23 -13.789 17.753 -6.246 1.00 0.00 N ATOM 0 H LYS B 23 -10.460 14.686 -11.270 1.00 0.00 H new ATOM 0 HA LYS B 23 -12.288 14.177 -9.001 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -12.650 15.611 -11.640 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -13.993 15.150 -10.613 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -11.685 16.908 -9.698 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -13.204 17.527 -10.316 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -14.440 16.415 -8.492 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -12.960 15.685 -7.901 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -12.018 17.896 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -13.409 18.689 -8.104 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -13.573 18.615 -5.706 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -14.815 17.689 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -13.467 16.921 -5.712 1.00 0.00 H new ATOM 1715 N GLY B 24 -12.550 11.856 -9.915 1.00 0.00 N ATOM 1716 CA GLY B 24 -12.981 10.567 -10.407 1.00 0.00 C ATOM 1717 C GLY B 24 -12.130 9.419 -9.897 1.00 0.00 C ATOM 1718 O GLY B 24 -12.657 8.354 -9.575 1.00 0.00 O ATOM 0 H GLY B 24 -12.227 11.862 -8.948 1.00 0.00 H new ATOM 0 HA2 GLY B 24 -14.018 10.401 -10.113 1.00 0.00 H new ATOM 0 HA3 GLY B 24 -12.955 10.574 -11.497 1.00 0.00 H new ATOM 1722 N TRP B 25 -10.821 9.629 -9.796 1.00 0.00 N ATOM 1723 CA TRP B 25 -9.906 8.536 -9.496 1.00 0.00 C ATOM 1724 C TRP B 25 -9.605 8.444 -8.011 1.00 0.00 C ATOM 1725 O TRP B 25 -8.628 9.001 -7.532 1.00 0.00 O ATOM 1726 CB TRP B 25 -8.609 8.700 -10.285 1.00 0.00 C ATOM 1727 CG TRP B 25 -8.724 8.264 -11.711 1.00 0.00 C ATOM 1728 CD1 TRP B 25 -9.483 8.834 -12.695 1.00 0.00 C ATOM 1729 CD2 TRP B 25 -8.048 7.159 -12.314 1.00 0.00 C ATOM 1730 NE1 TRP B 25 -9.335 8.134 -13.867 1.00 0.00 N ATOM 1731 CE2 TRP B 25 -8.452 7.106 -13.660 1.00 0.00 C ATOM 1732 CE3 TRP B 25 -7.141 6.207 -11.843 1.00 0.00 C ATOM 1733 CZ2 TRP B 25 -7.982 6.137 -14.540 1.00 0.00 C ATOM 1734 CZ3 TRP B 25 -6.674 5.245 -12.717 1.00 0.00 C ATOM 1735 CH2 TRP B 25 -7.095 5.218 -14.051 1.00 0.00 C ATOM 0 H TRP B 25 -10.374 10.538 -9.916 1.00 0.00 H new ATOM 0 HA TRP B 25 -10.394 7.608 -9.794 1.00 0.00 H new ATOM 0 HB2 TRP B 25 -8.304 9.746 -10.256 1.00 0.00 H new ATOM 0 HB3 TRP B 25 -7.821 8.125 -9.799 1.00 0.00 H new ATOM 0 HD1 TRP B 25 -10.107 9.706 -12.569 1.00 0.00 H new ATOM 0 HE1 TRP B 25 -9.805 8.344 -14.747 1.00 0.00 H new ATOM 0 HE3 TRP B 25 -6.811 6.223 -10.815 1.00 0.00 H new ATOM 0 HZ2 TRP B 25 -8.305 6.111 -15.570 1.00 0.00 H new ATOM 0 HZ3 TRP B 25 -5.973 4.502 -12.365 1.00 0.00 H new ATOM 0 HH2 TRP B 25 -6.711 4.454 -14.710 1.00 0.00 H new ATOM 1746 N THR B 26 -10.436 7.729 -7.278 1.00 0.00 N ATOM 1747 CA THR B 26 -10.234 7.602 -5.847 1.00 0.00 C ATOM 1748 C THR B 26 -9.306 6.433 -5.542 1.00 0.00 C ATOM 1749 O THR B 26 -9.411 5.374 -6.156 1.00 0.00 O ATOM 1750 CB THR B 26 -11.574 7.408 -5.115 1.00 0.00 C ATOM 1751 OG1 THR B 26 -12.509 8.405 -5.552 1.00 0.00 O ATOM 1752 CG2 THR B 26 -11.390 7.511 -3.606 1.00 0.00 C ATOM 0 H THR B 26 -11.248 7.232 -7.644 1.00 0.00 H new ATOM 0 HA THR B 26 -9.775 8.525 -5.491 1.00 0.00 H new ATOM 0 HB THR B 26 -11.954 6.414 -5.350 1.00 0.00 H new ATOM 0 HG1 THR B 26 -13.362 8.280 -5.087 1.00 0.00 H new ATOM 0 HG21 THR B 26 -12.351 7.370 -3.112 1.00 0.00 H new ATOM 0 HG22 THR B 26 -10.694 6.742 -3.271 1.00 0.00 H new ATOM 0 HG23 THR B 26 -10.993 8.494 -3.354 1.00 0.00 H new ATOM 1760 N LYS B 27 -8.393 6.628 -4.602 1.00 0.00 N ATOM 1761 CA LYS B 27 -7.499 5.564 -4.189 1.00 0.00 C ATOM 1762 C LYS B 27 -7.721 5.269 -2.715 1.00 0.00 C ATOM 1763 O LYS B 27 -7.648 6.169 -1.870 1.00 0.00 O ATOM 1764 CB LYS B 27 -6.039 5.935 -4.470 1.00 0.00 C ATOM 1765 CG LYS B 27 -5.067 4.810 -4.154 1.00 0.00 C ATOM 1766 CD LYS B 27 -3.701 5.017 -4.798 1.00 0.00 C ATOM 1767 CE LYS B 27 -2.991 6.259 -4.283 1.00 0.00 C ATOM 1768 NZ LYS B 27 -3.297 7.464 -5.097 1.00 0.00 N ATOM 0 H LYS B 27 -8.254 7.513 -4.113 1.00 0.00 H new ATOM 0 HA LYS B 27 -7.717 4.665 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -5.936 6.212 -5.519 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -5.773 6.813 -3.881 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -4.947 4.731 -3.073 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -5.487 3.865 -4.498 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -3.078 4.143 -4.608 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -3.821 5.094 -5.879 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -3.283 6.439 -3.248 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -1.915 6.086 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -2.612 8.215 -4.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -3.236 7.225 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -4.258 7.797 -4.877 1.00 0.00 H new ATOM 1782 N GLU B 28 -8.013 4.011 -2.416 1.00 0.00 N ATOM 1783 CA GLU B 28 -8.430 3.615 -1.083 1.00 0.00 C ATOM 1784 C GLU B 28 -8.036 2.169 -0.790 1.00 0.00 C ATOM 1785 O GLU B 28 -7.586 1.442 -1.678 1.00 0.00 O ATOM 1786 CB GLU B 28 -9.943 3.800 -0.948 1.00 0.00 C ATOM 1787 CG GLU B 28 -10.729 3.188 -2.097 1.00 0.00 C ATOM 1788 CD GLU B 28 -12.202 3.514 -2.036 1.00 0.00 C ATOM 1789 OE1 GLU B 28 -12.603 4.585 -2.533 1.00 0.00 O ATOM 1790 OE2 GLU B 28 -12.969 2.700 -1.492 1.00 0.00 O ATOM 0 H GLU B 28 -7.967 3.243 -3.086 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.923 4.247 -0.354 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -10.275 3.352 -0.011 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -10.168 4.865 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -10.321 3.546 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.600 2.106 -2.084 1.00 0.00 H new ATOM 1797 N ILE B 29 -8.211 1.768 0.464 1.00 0.00 N ATOM 1798 CA ILE B 29 -7.845 0.432 0.916 1.00 0.00 C ATOM 1799 C ILE B 29 -9.070 -0.288 1.479 1.00 0.00 C ATOM 1800 O ILE B 29 -9.835 0.286 2.261 1.00 0.00 O ATOM 1801 CB ILE B 29 -6.745 0.493 2.002 1.00 0.00 C ATOM 1802 CG1 ILE B 29 -5.553 1.319 1.505 1.00 0.00 C ATOM 1803 CG2 ILE B 29 -6.298 -0.912 2.389 1.00 0.00 C ATOM 1804 CD1 ILE B 29 -4.462 1.505 2.539 1.00 0.00 C ATOM 0 H ILE B 29 -8.610 2.359 1.194 1.00 0.00 H new ATOM 0 HA ILE B 29 -7.459 -0.116 0.057 1.00 0.00 H new ATOM 0 HB ILE B 29 -7.157 0.977 2.887 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -5.128 0.834 0.626 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -5.910 2.299 1.187 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -5.524 -0.850 3.154 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -7.149 -1.470 2.779 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -5.901 -1.422 1.511 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.654 2.099 2.112 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -4.870 2.019 3.410 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -4.076 0.531 2.840 1.00 0.00 H new ATOM 1816 N ASN B 30 -9.253 -1.537 1.078 1.00 0.00 N ATOM 1817 CA ASN B 30 -10.395 -2.335 1.519 1.00 0.00 C ATOM 1818 C ASN B 30 -10.040 -3.816 1.568 1.00 0.00 C ATOM 1819 O ASN B 30 -9.035 -4.234 1.003 1.00 0.00 O ATOM 1820 CB ASN B 30 -11.608 -2.103 0.601 1.00 0.00 C ATOM 1821 CG ASN B 30 -11.300 -2.191 -0.897 1.00 0.00 C ATOM 1822 OD1 ASN B 30 -10.337 -3.018 -1.284 1.00 0.00 O flip ATOM 1823 ND2 ASN B 30 -11.938 -1.513 -1.701 1.00 0.00 N flip ATOM 0 H ASN B 30 -8.622 -2.026 0.443 1.00 0.00 H new ATOM 0 HA ASN B 30 -10.658 -2.015 2.527 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -12.377 -2.837 0.844 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -12.027 -1.120 0.815 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -12.672 -0.887 -1.371 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -11.733 -1.577 -2.698 1.00 0.00 H new ATOM 1830 N ARG B 31 -10.854 -4.612 2.249 1.00 0.00 N ATOM 1831 CA ARG B 31 -10.619 -6.046 2.303 1.00 0.00 C ATOM 1832 C ARG B 31 -11.370 -6.755 1.188 1.00 0.00 C ATOM 1833 O ARG B 31 -12.597 -6.669 1.095 1.00 0.00 O ATOM 1834 CB ARG B 31 -11.008 -6.637 3.661 1.00 0.00 C ATOM 1835 CG ARG B 31 -10.035 -6.290 4.776 1.00 0.00 C ATOM 1836 CD ARG B 31 -10.090 -7.310 5.904 1.00 0.00 C ATOM 1837 NE ARG B 31 -11.359 -7.281 6.632 1.00 0.00 N ATOM 1838 CZ ARG B 31 -12.138 -8.345 6.823 1.00 0.00 C ATOM 1839 NH1 ARG B 31 -11.817 -9.517 6.287 1.00 0.00 N ATOM 1840 NH2 ARG B 31 -13.242 -8.235 7.550 1.00 0.00 N ATOM 0 H ARG B 31 -11.673 -4.293 2.766 1.00 0.00 H new ATOM 0 HA ARG B 31 -9.549 -6.203 2.166 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -12.001 -6.280 3.932 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -11.073 -7.721 3.571 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -9.022 -6.244 4.375 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -10.268 -5.300 5.168 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -9.934 -8.308 5.494 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -9.273 -7.120 6.600 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.667 -6.389 7.018 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -10.970 -9.606 5.726 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -12.417 -10.328 6.437 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -13.494 -7.337 7.962 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -13.839 -9.049 7.697 1.00 0.00 H new ATOM 1854 N VAL B 32 -10.622 -7.447 0.343 1.00 0.00 N ATOM 1855 CA VAL B 32 -11.196 -8.159 -0.783 1.00 0.00 C ATOM 1856 C VAL B 32 -11.264 -9.651 -0.488 1.00 0.00 C ATOM 1857 O VAL B 32 -10.249 -10.290 -0.200 1.00 0.00 O ATOM 1858 CB VAL B 32 -10.387 -7.922 -2.077 1.00 0.00 C ATOM 1859 CG1 VAL B 32 -10.991 -8.692 -3.240 1.00 0.00 C ATOM 1860 CG2 VAL B 32 -10.321 -6.437 -2.399 1.00 0.00 C ATOM 0 H VAL B 32 -9.608 -7.530 0.419 1.00 0.00 H new ATOM 0 HA VAL B 32 -12.204 -7.772 -0.935 1.00 0.00 H new ATOM 0 HB VAL B 32 -9.373 -8.287 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -10.405 -8.510 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -10.985 -9.758 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -12.017 -8.361 -3.402 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -9.747 -6.288 -3.314 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -11.330 -6.049 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -9.838 -5.908 -1.578 1.00 0.00 H new ATOM 1870 N SER B 33 -12.467 -10.184 -0.539 1.00 0.00 N ATOM 1871 CA SER B 33 -12.703 -11.591 -0.294 1.00 0.00 C ATOM 1872 C SER B 33 -12.541 -12.388 -1.586 1.00 0.00 C ATOM 1873 O SER B 33 -13.312 -12.219 -2.535 1.00 0.00 O ATOM 1874 CB SER B 33 -14.111 -11.770 0.266 1.00 0.00 C ATOM 1875 OG SER B 33 -14.415 -10.730 1.181 1.00 0.00 O ATOM 0 H SER B 33 -13.311 -9.652 -0.752 1.00 0.00 H new ATOM 0 HA SER B 33 -11.975 -11.961 0.428 1.00 0.00 H new ATOM 0 HB2 SER B 33 -14.836 -11.770 -0.548 1.00 0.00 H new ATOM 0 HB3 SER B 33 -14.191 -12.736 0.764 1.00 0.00 H new ATOM 0 HG SER B 33 -14.883 -11.103 1.957 1.00 0.00 H new ATOM 1881 N PHE B 34 -11.527 -13.235 -1.625 1.00 0.00 N ATOM 1882 CA PHE B 34 -11.276 -14.071 -2.786 1.00 0.00 C ATOM 1883 C PHE B 34 -11.989 -15.405 -2.629 1.00 0.00 C ATOM 1884 O PHE B 34 -12.274 -15.816 -1.502 1.00 0.00 O ATOM 1885 CB PHE B 34 -9.773 -14.294 -2.972 1.00 0.00 C ATOM 1886 CG PHE B 34 -8.998 -13.026 -3.208 1.00 0.00 C ATOM 1887 CD1 PHE B 34 -8.928 -12.470 -4.474 1.00 0.00 C ATOM 1888 CD2 PHE B 34 -8.342 -12.392 -2.163 1.00 0.00 C ATOM 1889 CE1 PHE B 34 -8.216 -11.305 -4.697 1.00 0.00 C ATOM 1890 CE2 PHE B 34 -7.631 -11.227 -2.378 1.00 0.00 C ATOM 1891 CZ PHE B 34 -7.568 -10.683 -3.648 1.00 0.00 C ATOM 0 H PHE B 34 -10.862 -13.362 -0.862 1.00 0.00 H new ATOM 0 HA PHE B 34 -11.661 -13.564 -3.671 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -9.376 -14.792 -2.087 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -9.616 -14.967 -3.815 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -9.435 -12.951 -5.297 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -8.388 -12.814 -1.170 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -8.167 -10.883 -5.690 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -7.125 -10.742 -1.556 1.00 0.00 H new ATOM 0 HZ PHE B 34 -7.013 -9.773 -3.819 1.00 0.00 H new ATOM 1901 N ASN B 35 -12.290 -16.047 -3.764 1.00 0.00 N ATOM 1902 CA ASN B 35 -12.970 -17.349 -3.799 1.00 0.00 C ATOM 1903 C ASN B 35 -12.581 -18.245 -2.624 1.00 0.00 C ATOM 1904 O ASN B 35 -11.433 -18.675 -2.491 1.00 0.00 O ATOM 1905 CB ASN B 35 -12.693 -18.075 -5.131 1.00 0.00 C ATOM 1906 CG ASN B 35 -11.226 -18.429 -5.359 1.00 0.00 C ATOM 1907 OD1 ASN B 35 -10.317 -17.708 -4.947 1.00 0.00 O ATOM 1908 ND2 ASN B 35 -10.987 -19.548 -6.031 1.00 0.00 N ATOM 0 H ASN B 35 -12.068 -15.677 -4.688 1.00 0.00 H new ATOM 0 HA ASN B 35 -14.037 -17.145 -3.715 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -13.285 -18.990 -5.163 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -13.035 -17.446 -5.953 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -10.026 -19.834 -6.220 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.764 -20.122 -6.358 1.00 0.00 H new ATOM 1915 N GLY B 36 -13.546 -18.497 -1.756 1.00 0.00 N ATOM 1916 CA GLY B 36 -13.302 -19.334 -0.606 1.00 0.00 C ATOM 1917 C GLY B 36 -13.803 -18.704 0.679 1.00 0.00 C ATOM 1918 O GLY B 36 -14.903 -19.011 1.134 1.00 0.00 O ATOM 0 H GLY B 36 -14.497 -18.135 -1.829 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -13.790 -20.298 -0.750 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -12.233 -19.528 -0.521 1.00 0.00 H new ATOM 1922 N ALA B 37 -13.004 -17.801 1.242 1.00 0.00 N ATOM 1923 CA ALA B 37 -13.323 -17.175 2.526 1.00 0.00 C ATOM 1924 C ALA B 37 -12.328 -16.064 2.895 1.00 0.00 C ATOM 1925 O ALA B 37 -12.749 -14.954 3.227 1.00 0.00 O ATOM 1926 CB ALA B 37 -13.386 -18.216 3.639 1.00 0.00 C ATOM 0 H ALA B 37 -12.127 -17.484 0.828 1.00 0.00 H new ATOM 0 HA ALA B 37 -14.305 -16.714 2.416 1.00 0.00 H new ATOM 0 HB1 ALA B 37 -13.625 -17.726 4.583 1.00 0.00 H new ATOM 0 HB2 ALA B 37 -14.157 -18.951 3.407 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -12.422 -18.717 3.724 1.00 0.00 H new ATOM 1932 N PRO B 38 -11.002 -16.343 2.865 1.00 0.00 N ATOM 1933 CA PRO B 38 -9.972 -15.373 3.262 1.00 0.00 C ATOM 1934 C PRO B 38 -10.104 -14.027 2.554 1.00 0.00 C ATOM 1935 O PRO B 38 -9.902 -13.919 1.343 1.00 0.00 O ATOM 1936 CB PRO B 38 -8.649 -16.050 2.874 1.00 0.00 C ATOM 1937 CG PRO B 38 -9.026 -17.203 2.007 1.00 0.00 C ATOM 1938 CD PRO B 38 -10.395 -17.616 2.455 1.00 0.00 C ATOM 0 HA PRO B 38 -10.052 -15.137 4.323 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -7.996 -15.358 2.343 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -8.107 -16.385 3.758 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -9.028 -16.918 0.955 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -8.315 -18.022 2.114 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -10.957 -18.092 1.651 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -10.353 -18.328 3.279 1.00 0.00 H new ATOM 1946 N ALA B 39 -10.448 -13.008 3.324 1.00 0.00 N ATOM 1947 CA ALA B 39 -10.539 -11.654 2.811 1.00 0.00 C ATOM 1948 C ALA B 39 -9.301 -10.870 3.215 1.00 0.00 C ATOM 1949 O ALA B 39 -9.130 -10.519 4.387 1.00 0.00 O ATOM 1950 CB ALA B 39 -11.799 -10.973 3.321 1.00 0.00 C ATOM 0 H ALA B 39 -10.670 -13.096 4.316 1.00 0.00 H new ATOM 0 HA ALA B 39 -10.594 -11.689 1.723 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -11.850 -9.959 2.926 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -12.674 -11.534 2.993 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -11.778 -10.937 4.410 1.00 0.00 H new ATOM 1956 N LYS B 40 -8.432 -10.617 2.253 1.00 0.00 N ATOM 1957 CA LYS B 40 -7.158 -9.981 2.530 1.00 0.00 C ATOM 1958 C LYS B 40 -7.246 -8.476 2.335 1.00 0.00 C ATOM 1959 O LYS B 40 -8.185 -7.972 1.716 1.00 0.00 O ATOM 1960 CB LYS B 40 -6.060 -10.577 1.647 1.00 0.00 C ATOM 1961 CG LYS B 40 -5.826 -12.055 1.916 1.00 0.00 C ATOM 1962 CD LYS B 40 -4.654 -12.601 1.117 1.00 0.00 C ATOM 1963 CE LYS B 40 -4.369 -14.052 1.479 1.00 0.00 C ATOM 1964 NZ LYS B 40 -3.155 -14.571 0.799 1.00 0.00 N ATOM 0 H LYS B 40 -8.587 -10.843 1.270 1.00 0.00 H new ATOM 0 HA LYS B 40 -6.904 -10.170 3.573 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.329 -10.441 0.599 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -5.131 -10.031 1.811 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -5.641 -12.205 2.980 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -6.727 -12.616 1.667 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -4.870 -12.525 0.051 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -3.768 -11.995 1.306 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -4.244 -14.138 2.558 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -5.227 -14.668 1.208 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -2.951 -15.533 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -3.315 -14.594 -0.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -2.347 -13.951 1.010 1.00 0.00 H new ATOM 1978 N PHE B 41 -6.265 -7.771 2.868 1.00 0.00 N ATOM 1979 CA PHE B 41 -6.237 -6.321 2.807 1.00 0.00 C ATOM 1980 C PHE B 41 -5.657 -5.891 1.466 1.00 0.00 C ATOM 1981 O PHE B 41 -4.486 -6.125 1.184 1.00 0.00 O ATOM 1982 CB PHE B 41 -5.387 -5.770 3.954 1.00 0.00 C ATOM 1983 CG PHE B 41 -5.699 -6.383 5.298 1.00 0.00 C ATOM 1984 CD1 PHE B 41 -5.121 -7.586 5.683 1.00 0.00 C ATOM 1985 CD2 PHE B 41 -6.565 -5.754 6.176 1.00 0.00 C ATOM 1986 CE1 PHE B 41 -5.405 -8.145 6.913 1.00 0.00 C ATOM 1987 CE2 PHE B 41 -6.853 -6.310 7.408 1.00 0.00 C ATOM 1988 CZ PHE B 41 -6.271 -7.507 7.777 1.00 0.00 C ATOM 0 H PHE B 41 -5.469 -8.185 3.353 1.00 0.00 H new ATOM 0 HA PHE B 41 -7.249 -5.928 2.905 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -4.334 -5.937 3.725 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -5.533 -4.692 4.015 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -4.441 -8.090 5.012 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -7.021 -4.817 5.895 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -4.949 -9.082 7.199 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -7.532 -5.809 8.082 1.00 0.00 H new ATOM 0 HZ PHE B 41 -6.493 -7.943 8.740 1.00 0.00 H new ATOM 1998 N ASP B 42 -6.470 -5.262 0.645 1.00 0.00 N ATOM 1999 CA ASP B 42 -6.080 -4.976 -0.726 1.00 0.00 C ATOM 2000 C ASP B 42 -6.241 -3.491 -1.049 1.00 0.00 C ATOM 2001 O ASP B 42 -7.176 -2.836 -0.577 1.00 0.00 O ATOM 2002 CB ASP B 42 -6.910 -5.846 -1.670 1.00 0.00 C ATOM 2003 CG ASP B 42 -6.624 -5.586 -3.130 1.00 0.00 C ATOM 2004 OD1 ASP B 42 -7.295 -4.725 -3.713 1.00 0.00 O ATOM 2005 OD2 ASP B 42 -5.741 -6.255 -3.707 1.00 0.00 O ATOM 0 H ASP B 42 -7.403 -4.938 0.898 1.00 0.00 H new ATOM 0 HA ASP B 42 -5.024 -5.213 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -6.716 -6.896 -1.450 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -7.969 -5.671 -1.478 1.00 0.00 H new ATOM 2010 N ILE B 43 -5.310 -2.961 -1.829 1.00 0.00 N ATOM 2011 CA ILE B 43 -5.307 -1.548 -2.176 1.00 0.00 C ATOM 2012 C ILE B 43 -5.592 -1.365 -3.664 1.00 0.00 C ATOM 2013 O ILE B 43 -4.868 -1.894 -4.509 1.00 0.00 O ATOM 2014 CB ILE B 43 -3.949 -0.895 -1.835 1.00 0.00 C ATOM 2015 CG1 ILE B 43 -3.574 -1.174 -0.375 1.00 0.00 C ATOM 2016 CG2 ILE B 43 -4.002 0.603 -2.097 1.00 0.00 C ATOM 2017 CD1 ILE B 43 -2.219 -0.628 0.020 1.00 0.00 C ATOM 0 H ILE B 43 -4.541 -3.494 -2.236 1.00 0.00 H new ATOM 0 HA ILE B 43 -6.089 -1.063 -1.592 1.00 0.00 H new ATOM 0 HB ILE B 43 -3.182 -1.330 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -4.334 -0.741 0.275 1.00 0.00 H new ATOM 0 HG13 ILE B 43 -3.586 -2.251 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE B 43 -3.038 1.050 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE B 43 -4.228 0.781 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -4.778 1.053 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE B 43 -2.023 -0.864 1.066 1.00 0.00 H new ATOM 0 HD12 ILE B 43 -1.448 -1.080 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE B 43 -2.209 0.453 -0.116 1.00 0.00 H new ATOM 2029 N ARG B 44 -6.644 -0.616 -3.983 1.00 0.00 N ATOM 2030 CA ARG B 44 -7.033 -0.406 -5.374 1.00 0.00 C ATOM 2031 C ARG B 44 -7.323 1.058 -5.652 1.00 0.00 C ATOM 2032 O ARG B 44 -7.544 1.853 -4.735 1.00 0.00 O ATOM 2033 CB ARG B 44 -8.284 -1.218 -5.732 1.00 0.00 C ATOM 2034 CG ARG B 44 -8.101 -2.717 -5.625 1.00 0.00 C ATOM 2035 CD ARG B 44 -7.078 -3.238 -6.619 1.00 0.00 C ATOM 2036 NE ARG B 44 -6.575 -4.544 -6.212 1.00 0.00 N ATOM 2037 CZ ARG B 44 -5.996 -5.426 -7.018 1.00 0.00 C ATOM 2038 NH1 ARG B 44 -5.880 -5.185 -8.319 1.00 0.00 N ATOM 2039 NH2 ARG B 44 -5.536 -6.564 -6.515 1.00 0.00 N ATOM 0 H ARG B 44 -7.240 -0.147 -3.301 1.00 0.00 H new ATOM 0 HA ARG B 44 -6.192 -0.737 -5.984 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -9.100 -0.915 -5.076 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -8.585 -0.971 -6.750 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -7.786 -2.972 -4.613 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -9.057 -3.212 -5.796 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -7.530 -3.310 -7.608 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -6.250 -2.533 -6.698 1.00 0.00 H new ATOM 0 HE ARG B 44 -6.676 -4.801 -5.230 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -6.238 -4.314 -8.710 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -5.433 -5.871 -8.927 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -5.629 -6.755 -5.517 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -5.090 -7.248 -7.126 1.00 0.00 H new ATOM 2053 N ALA B 45 -7.318 1.401 -6.927 1.00 0.00 N ATOM 2054 CA ALA B 45 -7.793 2.691 -7.373 1.00 0.00 C ATOM 2055 C ALA B 45 -9.115 2.502 -8.098 1.00 0.00 C ATOM 2056 O ALA B 45 -9.273 1.553 -8.870 1.00 0.00 O ATOM 2057 CB ALA B 45 -6.774 3.363 -8.282 1.00 0.00 C ATOM 0 H ALA B 45 -6.986 0.794 -7.677 1.00 0.00 H new ATOM 0 HA ALA B 45 -7.938 3.340 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -7.156 4.332 -8.603 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -5.839 3.504 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -6.596 2.735 -9.155 1.00 0.00 H new ATOM 2063 N TRP B 46 -10.064 3.383 -7.843 1.00 0.00 N ATOM 2064 CA TRP B 46 -11.372 3.286 -8.462 1.00 0.00 C ATOM 2065 C TRP B 46 -11.514 4.358 -9.525 1.00 0.00 C ATOM 2066 O TRP B 46 -11.303 5.545 -9.263 1.00 0.00 O ATOM 2067 CB TRP B 46 -12.479 3.416 -7.415 1.00 0.00 C ATOM 2068 CG TRP B 46 -12.513 2.275 -6.438 1.00 0.00 C ATOM 2069 CD1 TRP B 46 -11.751 2.132 -5.313 1.00 0.00 C ATOM 2070 CD2 TRP B 46 -13.356 1.116 -6.499 1.00 0.00 C ATOM 2071 NE1 TRP B 46 -12.070 0.958 -4.672 1.00 0.00 N ATOM 2072 CE2 TRP B 46 -13.053 0.317 -5.379 1.00 0.00 C ATOM 2073 CE3 TRP B 46 -14.341 0.677 -7.390 1.00 0.00 C ATOM 2074 CZ2 TRP B 46 -13.696 -0.894 -5.130 1.00 0.00 C ATOM 2075 CZ3 TRP B 46 -14.977 -0.525 -7.142 1.00 0.00 C ATOM 2076 CH2 TRP B 46 -14.654 -1.298 -6.020 1.00 0.00 C ATOM 0 H TRP B 46 -9.953 4.175 -7.210 1.00 0.00 H new ATOM 0 HA TRP B 46 -11.468 2.306 -8.930 1.00 0.00 H new ATOM 0 HB2 TRP B 46 -12.344 4.349 -6.868 1.00 0.00 H new ATOM 0 HB3 TRP B 46 -13.442 3.480 -7.921 1.00 0.00 H new ATOM 0 HD1 TRP B 46 -11.007 2.838 -4.976 1.00 0.00 H new ATOM 0 HE1 TRP B 46 -11.644 0.619 -3.810 1.00 0.00 H new ATOM 0 HE3 TRP B 46 -14.600 1.267 -8.257 1.00 0.00 H new ATOM 0 HZ2 TRP B 46 -13.447 -1.492 -4.266 1.00 0.00 H new ATOM 0 HZ3 TRP B 46 -15.737 -0.874 -7.826 1.00 0.00 H new ATOM 0 HH2 TRP B 46 -15.171 -2.231 -5.854 1.00 0.00 H new ATOM 2087 N SER B 47 -11.847 3.927 -10.726 1.00 0.00 N ATOM 2088 CA SER B 47 -11.866 4.811 -11.873 1.00 0.00 C ATOM 2089 C SER B 47 -13.205 4.738 -12.593 1.00 0.00 C ATOM 2090 O SER B 47 -13.782 3.660 -12.728 1.00 0.00 O ATOM 2091 CB SER B 47 -10.751 4.406 -12.831 1.00 0.00 C ATOM 2092 OG SER B 47 -9.564 4.118 -12.119 1.00 0.00 O ATOM 0 H SER B 47 -12.110 2.963 -10.933 1.00 0.00 H new ATOM 0 HA SER B 47 -11.716 5.835 -11.530 1.00 0.00 H new ATOM 0 HB2 SER B 47 -11.058 3.532 -13.406 1.00 0.00 H new ATOM 0 HB3 SER B 47 -10.568 5.209 -13.545 1.00 0.00 H new ATOM 0 HG SER B 47 -8.853 4.727 -12.409 1.00 0.00 H new ATOM 2202 N LYS B 55 -2.553 0.215 -11.178 1.00 0.00 N ATOM 2203 CA LYS B 55 -2.885 -1.146 -10.777 1.00 0.00 C ATOM 2204 C LYS B 55 -3.227 -1.190 -9.296 1.00 0.00 C ATOM 2205 O LYS B 55 -3.377 -0.151 -8.652 1.00 0.00 O ATOM 2206 CB LYS B 55 -1.720 -2.102 -11.062 1.00 0.00 C ATOM 2207 CG LYS B 55 -1.511 -2.411 -12.537 1.00 0.00 C ATOM 2208 CD LYS B 55 -2.726 -3.106 -13.137 1.00 0.00 C ATOM 2209 CE LYS B 55 -2.555 -3.352 -14.628 1.00 0.00 C ATOM 2210 NZ LYS B 55 -2.370 -2.085 -15.384 1.00 0.00 N ATOM 0 HA LYS B 55 -3.750 -1.466 -11.359 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -0.804 -1.670 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -1.893 -3.036 -10.528 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -1.314 -1.486 -13.080 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -0.632 -3.044 -12.657 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -2.890 -4.056 -12.628 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -3.614 -2.497 -12.968 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -1.695 -4.001 -14.792 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -3.429 -3.878 -15.011 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -2.511 -2.263 -16.399 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -3.062 -1.381 -15.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -1.408 -1.724 -15.226 1.00 0.00 H new ATOM 2224 N GLY B 56 -3.354 -2.395 -8.768 1.00 0.00 N ATOM 2225 CA GLY B 56 -3.598 -2.576 -7.356 1.00 0.00 C ATOM 2226 C GLY B 56 -2.709 -3.657 -6.791 1.00 0.00 C ATOM 2227 O GLY B 56 -2.066 -4.385 -7.550 1.00 0.00 O ATOM 0 H GLY B 56 -3.291 -3.262 -9.301 1.00 0.00 H new ATOM 0 HA2 GLY B 56 -3.418 -1.639 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY B 56 -4.644 -2.838 -7.194 1.00 0.00 H new ATOM 2231 N ILE B 57 -2.667 -3.776 -5.476 1.00 0.00 N ATOM 2232 CA ILE B 57 -1.796 -4.751 -4.844 1.00 0.00 C ATOM 2233 C ILE B 57 -2.430 -5.300 -3.564 1.00 0.00 C ATOM 2234 O ILE B 57 -3.041 -4.558 -2.790 1.00 0.00 O ATOM 2235 CB ILE B 57 -0.401 -4.142 -4.556 1.00 0.00 C ATOM 2236 CG1 ILE B 57 0.583 -5.224 -4.105 1.00 0.00 C ATOM 2237 CG2 ILE B 57 -0.490 -3.030 -3.516 1.00 0.00 C ATOM 2238 CD1 ILE B 57 2.021 -4.749 -4.065 1.00 0.00 C ATOM 0 H ILE B 57 -3.221 -3.215 -4.829 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.662 -5.583 -5.536 1.00 0.00 H new ATOM 0 HB ILE B 57 -0.030 -3.707 -5.484 1.00 0.00 H new ATOM 0 HG12 ILE B 57 0.296 -5.575 -3.114 1.00 0.00 H new ATOM 0 HG13 ILE B 57 0.508 -6.077 -4.780 1.00 0.00 H new ATOM 0 HG21 ILE B 57 0.504 -2.621 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -1.145 -2.240 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -0.892 -3.433 -2.586 1.00 0.00 H new ATOM 0 HD11 ILE B 57 2.665 -5.565 -3.737 1.00 0.00 H new ATOM 0 HD12 ILE B 57 2.325 -4.424 -5.060 1.00 0.00 H new ATOM 0 HD13 ILE B 57 2.109 -3.915 -3.369 1.00 0.00 H new ATOM 2250 N THR B 58 -2.299 -6.603 -3.365 1.00 0.00 N ATOM 2251 CA THR B 58 -2.925 -7.274 -2.239 1.00 0.00 C ATOM 2252 C THR B 58 -1.919 -7.553 -1.121 1.00 0.00 C ATOM 2253 O THR B 58 -0.787 -7.989 -1.374 1.00 0.00 O ATOM 2254 CB THR B 58 -3.565 -8.600 -2.697 1.00 0.00 C ATOM 2255 OG1 THR B 58 -4.308 -8.384 -3.903 1.00 0.00 O ATOM 2256 CG2 THR B 58 -4.488 -9.164 -1.627 1.00 0.00 C ATOM 0 H THR B 58 -1.761 -7.219 -3.974 1.00 0.00 H new ATOM 0 HA THR B 58 -3.696 -6.610 -1.848 1.00 0.00 H new ATOM 0 HB THR B 58 -2.766 -9.320 -2.875 1.00 0.00 H new ATOM 0 HG1 THR B 58 -4.519 -7.431 -3.991 1.00 0.00 H new ATOM 0 HG21 THR B 58 -4.924 -10.099 -1.979 1.00 0.00 H new ATOM 0 HG22 THR B 58 -3.919 -9.349 -0.716 1.00 0.00 H new ATOM 0 HG23 THR B 58 -5.283 -8.448 -1.418 1.00 0.00 H new ATOM 2264 N LEU B 59 -2.332 -7.283 0.109 1.00 0.00 N ATOM 2265 CA LEU B 59 -1.519 -7.561 1.281 1.00 0.00 C ATOM 2266 C LEU B 59 -2.258 -8.523 2.203 1.00 0.00 C ATOM 2267 O LEU B 59 -3.400 -8.280 2.596 1.00 0.00 O ATOM 2268 CB LEU B 59 -1.197 -6.263 2.033 1.00 0.00 C ATOM 2269 CG LEU B 59 -0.474 -5.191 1.212 1.00 0.00 C ATOM 2270 CD1 LEU B 59 -0.285 -3.930 2.040 1.00 0.00 C ATOM 2271 CD2 LEU B 59 0.868 -5.710 0.712 1.00 0.00 C ATOM 0 H LEU B 59 -3.238 -6.866 0.321 1.00 0.00 H new ATOM 0 HA LEU B 59 -0.583 -8.016 0.957 1.00 0.00 H new ATOM 0 HB2 LEU B 59 -2.128 -5.841 2.410 1.00 0.00 H new ATOM 0 HB3 LEU B 59 -0.584 -6.508 2.900 1.00 0.00 H new ATOM 0 HG LEU B 59 -1.088 -4.948 0.345 1.00 0.00 H new ATOM 0 HD11 LEU B 59 0.230 -3.177 1.444 1.00 0.00 H new ATOM 0 HD12 LEU B 59 -1.258 -3.547 2.347 1.00 0.00 H new ATOM 0 HD13 LEU B 59 0.309 -4.161 2.924 1.00 0.00 H new ATOM 0 HD21 LEU B 59 1.365 -4.933 0.131 1.00 0.00 H new ATOM 0 HD22 LEU B 59 1.492 -5.983 1.563 1.00 0.00 H new ATOM 0 HD23 LEU B 59 0.708 -6.586 0.084 1.00 0.00 H new ATOM 2283 N SER B 60 -1.621 -9.626 2.531 1.00 0.00 N ATOM 2284 CA SER B 60 -2.216 -10.604 3.419 1.00 0.00 C ATOM 2285 C SER B 60 -2.150 -10.113 4.863 1.00 0.00 C ATOM 2286 O SER B 60 -1.619 -9.034 5.130 1.00 0.00 O ATOM 2287 CB SER B 60 -1.501 -11.941 3.259 1.00 0.00 C ATOM 2288 OG SER B 60 -1.381 -12.284 1.885 1.00 0.00 O ATOM 0 H SER B 60 -0.689 -9.869 2.196 1.00 0.00 H new ATOM 0 HA SER B 60 -3.266 -10.740 3.160 1.00 0.00 H new ATOM 0 HB2 SER B 60 -0.512 -11.887 3.713 1.00 0.00 H new ATOM 0 HB3 SER B 60 -2.052 -12.719 3.787 1.00 0.00 H new ATOM 0 HG SER B 60 -0.696 -11.722 1.466 1.00 0.00 H new ATOM 2294 N ASN B 61 -2.675 -10.913 5.785 1.00 0.00 N ATOM 2295 CA ASN B 61 -2.794 -10.521 7.191 1.00 0.00 C ATOM 2296 C ASN B 61 -1.447 -10.071 7.753 1.00 0.00 C ATOM 2297 O ASN B 61 -1.315 -8.955 8.263 1.00 0.00 O ATOM 2298 CB ASN B 61 -3.351 -11.694 8.009 1.00 0.00 C ATOM 2299 CG ASN B 61 -3.722 -11.330 9.441 1.00 0.00 C ATOM 2300 OD1 ASN B 61 -3.108 -10.469 10.071 1.00 0.00 O ATOM 2301 ND2 ASN B 61 -4.737 -11.995 9.974 1.00 0.00 N ATOM 0 H ASN B 61 -3.030 -11.848 5.583 1.00 0.00 H new ATOM 0 HA ASN B 61 -3.481 -9.677 7.259 1.00 0.00 H new ATOM 0 HB2 ASN B 61 -4.233 -12.088 7.505 1.00 0.00 H new ATOM 0 HB3 ASN B 61 -2.611 -12.494 8.028 1.00 0.00 H new ATOM 0 HD21 ASN B 61 -5.029 -11.799 10.931 1.00 0.00 H new ATOM 0 HD22 ASN B 61 -5.226 -12.703 9.427 1.00 0.00 H new ATOM 2308 N GLU B 62 -0.440 -10.926 7.623 1.00 0.00 N ATOM 2309 CA GLU B 62 0.873 -10.643 8.185 1.00 0.00 C ATOM 2310 C GLU B 62 1.571 -9.520 7.421 1.00 0.00 C ATOM 2311 O GLU B 62 2.254 -8.689 8.016 1.00 0.00 O ATOM 2312 CB GLU B 62 1.762 -11.901 8.210 1.00 0.00 C ATOM 2313 CG GLU B 62 1.950 -12.587 6.862 1.00 0.00 C ATOM 2314 CD GLU B 62 0.771 -13.453 6.462 1.00 0.00 C ATOM 2315 OE1 GLU B 62 -0.170 -12.933 5.831 1.00 0.00 O ATOM 2316 OE2 GLU B 62 0.784 -14.664 6.766 1.00 0.00 O ATOM 0 H GLU B 62 -0.508 -11.819 7.134 1.00 0.00 H new ATOM 0 HA GLU B 62 0.717 -10.317 9.213 1.00 0.00 H new ATOM 0 HB2 GLU B 62 2.742 -11.627 8.600 1.00 0.00 H new ATOM 0 HB3 GLU B 62 1.330 -12.618 8.908 1.00 0.00 H new ATOM 0 HG2 GLU B 62 2.112 -11.829 6.096 1.00 0.00 H new ATOM 0 HG3 GLU B 62 2.849 -13.202 6.897 1.00 0.00 H new ATOM 2323 N GLU B 63 1.373 -9.487 6.107 1.00 0.00 N ATOM 2324 CA GLU B 63 2.012 -8.488 5.255 1.00 0.00 C ATOM 2325 C GLU B 63 1.500 -7.092 5.599 1.00 0.00 C ATOM 2326 O GLU B 63 2.278 -6.144 5.755 1.00 0.00 O ATOM 2327 CB GLU B 63 1.734 -8.794 3.779 1.00 0.00 C ATOM 2328 CG GLU B 63 2.055 -10.229 3.377 1.00 0.00 C ATOM 2329 CD GLU B 63 1.798 -10.497 1.907 1.00 0.00 C ATOM 2330 OE1 GLU B 63 0.671 -10.259 1.436 1.00 0.00 O ATOM 2331 OE2 GLU B 63 2.722 -10.942 1.208 1.00 0.00 O ATOM 0 H GLU B 63 0.773 -10.143 5.607 1.00 0.00 H new ATOM 0 HA GLU B 63 3.088 -8.523 5.429 1.00 0.00 H new ATOM 0 HB2 GLU B 63 0.684 -8.594 3.568 1.00 0.00 H new ATOM 0 HB3 GLU B 63 2.319 -8.114 3.160 1.00 0.00 H new ATOM 0 HG2 GLU B 63 3.100 -10.440 3.603 1.00 0.00 H new ATOM 0 HG3 GLU B 63 1.455 -10.913 3.977 1.00 0.00 H new ATOM 2338 N PHE B 64 0.187 -6.986 5.740 1.00 0.00 N ATOM 2339 CA PHE B 64 -0.461 -5.720 6.053 1.00 0.00 C ATOM 2340 C PHE B 64 -0.037 -5.232 7.432 1.00 0.00 C ATOM 2341 O PHE B 64 0.330 -4.069 7.602 1.00 0.00 O ATOM 2342 CB PHE B 64 -1.979 -5.889 5.990 1.00 0.00 C ATOM 2343 CG PHE B 64 -2.744 -4.601 6.047 1.00 0.00 C ATOM 2344 CD1 PHE B 64 -2.844 -3.791 4.929 1.00 0.00 C ATOM 2345 CD2 PHE B 64 -3.380 -4.211 7.213 1.00 0.00 C ATOM 2346 CE1 PHE B 64 -3.566 -2.615 4.972 1.00 0.00 C ATOM 2347 CE2 PHE B 64 -4.101 -3.036 7.262 1.00 0.00 C ATOM 2348 CZ PHE B 64 -4.196 -2.238 6.140 1.00 0.00 C ATOM 0 H PHE B 64 -0.457 -7.771 5.641 1.00 0.00 H new ATOM 0 HA PHE B 64 -0.156 -4.974 5.319 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -2.237 -6.411 5.069 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -2.297 -6.524 6.817 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -2.352 -4.082 4.013 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -3.311 -4.833 8.093 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -3.637 -1.991 4.093 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -4.591 -2.741 8.178 1.00 0.00 H new ATOM 0 HZ PHE B 64 -4.763 -1.319 6.176 1.00 0.00 H new ATOM 2358 N GLN B 65 -0.073 -6.131 8.411 1.00 0.00 N ATOM 2359 CA GLN B 65 0.324 -5.800 9.775 1.00 0.00 C ATOM 2360 C GLN B 65 1.774 -5.317 9.812 1.00 0.00 C ATOM 2361 O GLN B 65 2.114 -4.404 10.570 1.00 0.00 O ATOM 2362 CB GLN B 65 0.141 -7.015 10.692 1.00 0.00 C ATOM 2363 CG GLN B 65 0.493 -6.751 12.151 1.00 0.00 C ATOM 2364 CD GLN B 65 -0.309 -5.614 12.754 1.00 0.00 C ATOM 2365 OE1 GLN B 65 -1.391 -5.821 13.301 1.00 0.00 O ATOM 2366 NE2 GLN B 65 0.216 -4.399 12.661 1.00 0.00 N ATOM 0 H GLN B 65 -0.374 -7.097 8.284 1.00 0.00 H new ATOM 0 HA GLN B 65 -0.315 -4.993 10.134 1.00 0.00 H new ATOM 0 HB2 GLN B 65 -0.895 -7.348 10.634 1.00 0.00 H new ATOM 0 HB3 GLN B 65 0.760 -7.833 10.322 1.00 0.00 H new ATOM 0 HG2 GLN B 65 0.321 -7.658 12.731 1.00 0.00 H new ATOM 0 HG3 GLN B 65 1.556 -6.520 12.227 1.00 0.00 H new ATOM 0 HE21 GLN B 65 1.116 -4.266 12.200 1.00 0.00 H new ATOM 0 HE22 GLN B 65 -0.280 -3.598 13.051 1.00 0.00 H new ATOM 2375 N THR B 66 2.612 -5.920 8.977 1.00 0.00 N ATOM 2376 CA THR B 66 4.016 -5.543 8.889 1.00 0.00 C ATOM 2377 C THR B 66 4.172 -4.069 8.518 1.00 0.00 C ATOM 2378 O THR B 66 4.877 -3.323 9.202 1.00 0.00 O ATOM 2379 CB THR B 66 4.761 -6.416 7.856 1.00 0.00 C ATOM 2380 OG1 THR B 66 4.696 -7.795 8.243 1.00 0.00 O ATOM 2381 CG2 THR B 66 6.218 -5.993 7.724 1.00 0.00 C ATOM 0 H THR B 66 2.341 -6.676 8.348 1.00 0.00 H new ATOM 0 HA THR B 66 4.455 -5.705 9.873 1.00 0.00 H new ATOM 0 HB THR B 66 4.275 -6.281 6.890 1.00 0.00 H new ATOM 0 HG1 THR B 66 3.857 -8.186 7.921 1.00 0.00 H new ATOM 0 HG21 THR B 66 6.716 -6.626 6.990 1.00 0.00 H new ATOM 0 HG22 THR B 66 6.267 -4.954 7.400 1.00 0.00 H new ATOM 0 HG23 THR B 66 6.716 -6.096 8.688 1.00 0.00 H new ATOM 2389 N MET B 67 3.497 -3.639 7.454 1.00 0.00 N ATOM 2390 CA MET B 67 3.647 -2.265 6.987 1.00 0.00 C ATOM 2391 C MET B 67 3.032 -1.284 7.985 1.00 0.00 C ATOM 2392 O MET B 67 3.575 -0.204 8.216 1.00 0.00 O ATOM 2393 CB MET B 67 3.057 -2.084 5.575 1.00 0.00 C ATOM 2394 CG MET B 67 1.535 -1.995 5.494 1.00 0.00 C ATOM 2395 SD MET B 67 0.913 -0.324 5.784 1.00 0.00 S ATOM 2396 CE MET B 67 -0.822 -0.523 5.393 1.00 0.00 C ATOM 0 H MET B 67 2.852 -4.211 6.908 1.00 0.00 H new ATOM 0 HA MET B 67 4.713 -2.046 6.919 1.00 0.00 H new ATOM 0 HB2 MET B 67 3.478 -1.178 5.140 1.00 0.00 H new ATOM 0 HB3 MET B 67 3.386 -2.918 4.955 1.00 0.00 H new ATOM 0 HG2 MET B 67 1.208 -2.334 4.511 1.00 0.00 H new ATOM 0 HG3 MET B 67 1.097 -2.673 6.227 1.00 0.00 H new ATOM 0 HE1 MET B 67 -1.330 0.436 5.492 1.00 0.00 H new ATOM 0 HE2 MET B 67 -0.925 -0.884 4.370 1.00 0.00 H new ATOM 0 HE3 MET B 67 -1.269 -1.243 6.079 1.00 0.00 H new ATOM 2406 N VAL B 68 1.925 -1.684 8.608 1.00 0.00 N ATOM 2407 CA VAL B 68 1.235 -0.828 9.573 1.00 0.00 C ATOM 2408 C VAL B 68 2.125 -0.515 10.768 1.00 0.00 C ATOM 2409 O VAL B 68 2.160 0.617 11.239 1.00 0.00 O ATOM 2410 CB VAL B 68 -0.085 -1.467 10.062 1.00 0.00 C ATOM 2411 CG1 VAL B 68 -0.672 -0.693 11.238 1.00 0.00 C ATOM 2412 CG2 VAL B 68 -1.086 -1.532 8.922 1.00 0.00 C ATOM 0 H VAL B 68 1.487 -2.594 8.463 1.00 0.00 H new ATOM 0 HA VAL B 68 0.998 0.101 9.055 1.00 0.00 H new ATOM 0 HB VAL B 68 0.134 -2.479 10.403 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -1.600 -1.167 11.559 1.00 0.00 H new ATOM 0 HG12 VAL B 68 0.039 -0.691 12.064 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -0.876 0.333 10.933 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -2.012 -1.984 9.277 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -1.289 -0.525 8.558 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -0.676 -2.134 8.111 1.00 0.00 H new ATOM 2422 N ASP B 69 2.858 -1.515 11.241 1.00 0.00 N ATOM 2423 CA ASP B 69 3.724 -1.335 12.401 1.00 0.00 C ATOM 2424 C ASP B 69 4.899 -0.425 12.057 1.00 0.00 C ATOM 2425 O ASP B 69 5.223 0.502 12.806 1.00 0.00 O ATOM 2426 CB ASP B 69 4.238 -2.685 12.905 1.00 0.00 C ATOM 2427 CG ASP B 69 5.014 -2.562 14.202 1.00 0.00 C ATOM 2428 OD1 ASP B 69 6.245 -2.350 14.151 1.00 0.00 O ATOM 2429 OD2 ASP B 69 4.400 -2.692 15.280 1.00 0.00 O ATOM 0 H ASP B 69 2.871 -2.454 10.843 1.00 0.00 H new ATOM 0 HA ASP B 69 3.138 -0.867 13.192 1.00 0.00 H new ATOM 0 HB2 ASP B 69 3.395 -3.360 13.052 1.00 0.00 H new ATOM 0 HB3 ASP B 69 4.876 -3.134 12.144 1.00 0.00 H new ATOM 2434 N ALA B 70 5.511 -0.675 10.904 1.00 0.00 N ATOM 2435 CA ALA B 70 6.662 0.099 10.465 1.00 0.00 C ATOM 2436 C ALA B 70 6.300 1.565 10.260 1.00 0.00 C ATOM 2437 O ALA B 70 7.100 2.455 10.542 1.00 0.00 O ATOM 2438 CB ALA B 70 7.236 -0.488 9.187 1.00 0.00 C ATOM 0 H ALA B 70 5.227 -1.410 10.257 1.00 0.00 H new ATOM 0 HA ALA B 70 7.418 0.048 11.248 1.00 0.00 H new ATOM 0 HB1 ALA B 70 8.097 0.101 8.870 1.00 0.00 H new ATOM 0 HB2 ALA B 70 7.547 -1.517 9.367 1.00 0.00 H new ATOM 0 HB3 ALA B 70 6.477 -0.470 8.405 1.00 0.00 H new ATOM 2444 N PHE B 71 5.091 1.817 9.771 1.00 0.00 N ATOM 2445 CA PHE B 71 4.640 3.184 9.552 1.00 0.00 C ATOM 2446 C PHE B 71 4.061 3.781 10.827 1.00 0.00 C ATOM 2447 O PHE B 71 4.040 4.996 10.994 1.00 0.00 O ATOM 2448 CB PHE B 71 3.617 3.252 8.419 1.00 0.00 C ATOM 2449 CG PHE B 71 4.187 2.876 7.082 1.00 0.00 C ATOM 2450 CD1 PHE B 71 5.429 3.349 6.688 1.00 0.00 C ATOM 2451 CD2 PHE B 71 3.490 2.043 6.225 1.00 0.00 C ATOM 2452 CE1 PHE B 71 5.961 2.998 5.462 1.00 0.00 C ATOM 2453 CE2 PHE B 71 4.016 1.687 5.000 1.00 0.00 C ATOM 2454 CZ PHE B 71 5.253 2.165 4.617 1.00 0.00 C ATOM 0 H PHE B 71 4.411 1.099 9.521 1.00 0.00 H new ATOM 0 HA PHE B 71 5.510 3.774 9.262 1.00 0.00 H new ATOM 0 HB2 PHE B 71 2.784 2.589 8.651 1.00 0.00 H new ATOM 0 HB3 PHE B 71 3.214 4.263 8.363 1.00 0.00 H new ATOM 0 HD1 PHE B 71 5.987 3.999 7.346 1.00 0.00 H new ATOM 0 HD2 PHE B 71 2.521 1.666 6.519 1.00 0.00 H new ATOM 0 HE1 PHE B 71 6.929 3.374 5.165 1.00 0.00 H new ATOM 0 HE2 PHE B 71 3.461 1.035 4.342 1.00 0.00 H new ATOM 0 HZ PHE B 71 5.667 1.888 3.659 1.00 0.00 H new ATOM 2464 N LYS B 72 3.604 2.927 11.734 1.00 0.00 N ATOM 2465 CA LYS B 72 3.109 3.389 13.023 1.00 0.00 C ATOM 2466 C LYS B 72 4.233 4.077 13.788 1.00 0.00 C ATOM 2467 O LYS B 72 4.005 5.033 14.527 1.00 0.00 O ATOM 2468 CB LYS B 72 2.540 2.221 13.835 1.00 0.00 C ATOM 2469 CG LYS B 72 1.967 2.641 15.179 1.00 0.00 C ATOM 2470 CD LYS B 72 1.195 1.517 15.854 1.00 0.00 C ATOM 2471 CE LYS B 72 0.056 1.010 14.980 1.00 0.00 C ATOM 2472 NZ LYS B 72 -1.058 0.458 15.792 1.00 0.00 N ATOM 0 H LYS B 72 3.566 1.916 11.602 1.00 0.00 H new ATOM 0 HA LYS B 72 2.304 4.105 12.856 1.00 0.00 H new ATOM 0 HB2 LYS B 72 1.760 1.730 13.253 1.00 0.00 H new ATOM 0 HB3 LYS B 72 3.327 1.485 13.998 1.00 0.00 H new ATOM 0 HG2 LYS B 72 2.778 2.965 15.832 1.00 0.00 H new ATOM 0 HG3 LYS B 72 1.308 3.498 15.039 1.00 0.00 H new ATOM 0 HD2 LYS B 72 1.874 0.695 16.080 1.00 0.00 H new ATOM 0 HD3 LYS B 72 0.795 1.870 16.804 1.00 0.00 H new ATOM 0 HE2 LYS B 72 -0.316 1.825 14.359 1.00 0.00 H new ATOM 0 HE3 LYS B 72 0.430 0.240 14.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 72 -1.571 -0.257 15.237 1.00 0.00 H new ATOM 0 HZ2 LYS B 72 -0.675 0.019 16.654 1.00 0.00 H new ATOM 0 HZ3 LYS B 72 -1.709 1.225 16.054 1.00 0.00 H new ATOM 2486 N GLY B 73 5.449 3.597 13.584 1.00 0.00 N ATOM 2487 CA GLY B 73 6.601 4.212 14.205 1.00 0.00 C ATOM 2488 C GLY B 73 7.462 4.958 13.203 1.00 0.00 C ATOM 2489 O GLY B 73 8.686 4.820 13.211 1.00 0.00 O ATOM 0 H GLY B 73 5.659 2.790 12.997 1.00 0.00 H new ATOM 0 HA2 GLY B 73 6.269 4.902 14.981 1.00 0.00 H new ATOM 0 HA3 GLY B 73 7.200 3.445 14.696 1.00 0.00 H new ATOM 2493 N ASN B 74 6.827 5.743 12.335 1.00 0.00 N ATOM 2494 CA ASN B 74 7.553 6.479 11.303 1.00 0.00 C ATOM 2495 C ASN B 74 6.661 7.537 10.651 1.00 0.00 C ATOM 2496 O ASN B 74 5.446 7.374 10.596 1.00 0.00 O ATOM 2497 CB ASN B 74 8.061 5.501 10.234 1.00 0.00 C ATOM 2498 CG ASN B 74 8.892 6.171 9.154 1.00 0.00 C ATOM 2499 OD1 ASN B 74 9.615 7.131 9.412 1.00 0.00 O ATOM 2500 ND2 ASN B 74 8.790 5.672 7.933 1.00 0.00 N ATOM 0 H ASN B 74 5.817 5.885 12.326 1.00 0.00 H new ATOM 0 HA ASN B 74 8.397 6.985 11.772 1.00 0.00 H new ATOM 0 HB2 ASN B 74 8.659 4.726 10.715 1.00 0.00 H new ATOM 0 HB3 ASN B 74 7.208 5.004 9.771 1.00 0.00 H new ATOM 0 HD21 ASN B 74 9.322 6.085 7.167 1.00 0.00 H new ATOM 0 HD22 ASN B 74 8.179 4.874 7.758 1.00 0.00 H new ATOM 2507 N LEU B 75 7.281 8.639 10.209 1.00 0.00 N ATOM 2508 CA LEU B 75 6.635 9.642 9.344 1.00 0.00 C ATOM 2509 C LEU B 75 5.649 10.546 10.096 1.00 0.00 C ATOM 2510 O LEU B 75 5.597 11.751 9.848 1.00 0.00 O ATOM 2511 CB LEU B 75 5.932 8.954 8.165 1.00 0.00 C ATOM 2512 CG LEU B 75 5.341 9.892 7.108 1.00 0.00 C ATOM 2513 CD1 LEU B 75 6.444 10.670 6.404 1.00 0.00 C ATOM 2514 CD2 LEU B 75 4.511 9.104 6.103 1.00 0.00 C ATOM 0 H LEU B 75 8.249 8.863 10.441 1.00 0.00 H new ATOM 0 HA LEU B 75 7.429 10.290 8.973 1.00 0.00 H new ATOM 0 HB2 LEU B 75 6.645 8.290 7.677 1.00 0.00 H new ATOM 0 HB3 LEU B 75 5.131 8.328 8.558 1.00 0.00 H new ATOM 0 HG LEU B 75 4.687 10.607 7.608 1.00 0.00 H new ATOM 0 HD11 LEU B 75 6.004 11.330 5.657 1.00 0.00 H new ATOM 0 HD12 LEU B 75 6.994 11.264 7.134 1.00 0.00 H new ATOM 0 HD13 LEU B 75 7.126 9.974 5.916 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.098 9.785 5.359 1.00 0.00 H new ATOM 0 HD22 LEU B 75 5.143 8.366 5.609 1.00 0.00 H new ATOM 0 HD23 LEU B 75 3.697 8.597 6.621 1.00 0.00 H new ATOM 2526 N GLU B 76 4.880 9.968 11.007 1.00 0.00 N ATOM 2527 CA GLU B 76 3.812 10.692 11.688 1.00 0.00 C ATOM 2528 C GLU B 76 4.370 11.750 12.646 1.00 0.00 C ATOM 2529 O GLU B 76 4.638 11.475 13.818 1.00 0.00 O ATOM 2530 CB GLU B 76 2.913 9.703 12.436 1.00 0.00 C ATOM 2531 CG GLU B 76 1.455 10.136 12.561 1.00 0.00 C ATOM 2532 CD GLU B 76 1.255 11.334 13.466 1.00 0.00 C ATOM 2533 OE1 GLU B 76 1.330 11.170 14.702 1.00 0.00 O ATOM 2534 OE2 GLU B 76 1.009 12.443 12.945 1.00 0.00 O ATOM 0 H GLU B 76 4.975 8.994 11.294 1.00 0.00 H new ATOM 0 HA GLU B 76 3.221 11.216 10.937 1.00 0.00 H new ATOM 0 HB2 GLU B 76 2.950 8.741 11.925 1.00 0.00 H new ATOM 0 HB3 GLU B 76 3.319 9.548 13.436 1.00 0.00 H new ATOM 0 HG2 GLU B 76 1.068 10.371 11.570 1.00 0.00 H new ATOM 0 HG3 GLU B 76 0.868 9.301 12.942 1.00 0.00 H new