USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 703 hydrogens (7 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 270 SER OG : rot 180:sc= 0.654 USER MOD Set 1.2: A 314 ASN : amide:sc= 0.732 K(o=1.4,f=-2.1!) USER MOD Set 2.1: A 265 SER OG : rot -79:sc= 1.86 USER MOD Set 2.2: A 282 SER OG : rot 27:sc= 1.02 USER MOD Single : A 248 ASN : amide:sc= -0.612 K(o=-0.61,f=-5!) USER MOD Single : A 251 THR OG1 : rot 180:sc= 0 USER MOD Single : A 253 THR OG1 : rot 180:sc= 0 USER MOD Single : A 255 ASN : amide:sc= 0.987 K(o=0.99,f=-6!) USER MOD Single : A 256 MET CE :methyl -170:sc= 0 (180deg=-0.142) USER MOD Single : A 259 HIS : no HE2:sc= -0.0597 K(o=-0.06,f=-1.7!) USER MOD Single : A 260 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 269 GLN :FLIP amide:sc=-0.00231 F(o=-1.2,f=-0.0023) USER MOD Single : A 271 ASN : amide:sc= 0.129 X(o=0.13,f=0) USER MOD Single : A 279 TYR OH : rot -108:sc= 0.0192 USER MOD Single : A 284 MET CE :methyl 149:sc= -0.155 (180deg=-0.655) USER MOD Single : A 285 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00313) USER MOD Single : A 300 MET CE :methyl -127:sc= -0.246 (180deg=-1.02) USER MOD Single : A 303 GLN : amide:sc= -0.615 K(o=-0.62,f=-1.1!) USER MOD Single : A 305 ASN : amide:sc= 1.24 K(o=1.2,f=-5.8!) USER MOD Single : A 308 ASN : amide:sc= 0.807 K(o=0.81,f=-2.8!) USER MOD Single : A 311 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 312 MET CE :methyl 163:sc= -0.194 (180deg=-0.721) USER MOD Single : A 313 SER OG : rot -111:sc= 1.18 USER MOD Single : A 326 SER OG : rot 94:sc= 1.33 USER MOD Single : A 327 GLN :FLIP amide:sc= -0.13 F(o=-1.3,f=-0.13) USER MOD Single : A 328 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 79:sc= 0.00195 USER MOD Single : A 337 LYS NZ :NH3+ 160:sc= 0.582 (180deg=0.391!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 248 4.259 -13.994 -6.636 1.00 0.52 N ATOM 2 CA ASN A 248 2.958 -13.834 -7.321 1.00 0.49 C ATOM 3 C ASN A 248 2.435 -12.417 -7.137 1.00 0.44 C ATOM 4 O ASN A 248 2.307 -11.934 -6.017 1.00 0.47 O ATOM 5 CB ASN A 248 1.958 -14.862 -6.783 1.00 0.57 C ATOM 6 CG ASN A 248 0.513 -14.411 -6.901 1.00 0.70 C ATOM 7 OD1 ASN A 248 -0.057 -13.893 -5.947 1.00 0.99 O ATOM 8 ND2 ASN A 248 -0.085 -14.604 -8.066 1.00 1.26 N ATOM 0 HA ASN A 248 3.091 -14.007 -8.389 1.00 0.49 H new ATOM 0 HB2 ASN A 248 2.084 -15.800 -7.324 1.00 0.57 H new ATOM 0 HB3 ASN A 248 2.184 -15.065 -5.736 1.00 0.57 H new ATOM 0 HD21 ASN A 248 -1.056 -14.318 -8.195 1.00 1.26 H new ATOM 0 HD22 ASN A 248 0.425 -15.039 -8.835 1.00 1.26 H new ATOM 17 N ILE A 249 2.151 -11.747 -8.243 1.00 0.45 N ATOM 18 CA ILE A 249 1.647 -10.379 -8.197 1.00 0.43 C ATOM 19 C ILE A 249 0.131 -10.366 -8.337 1.00 0.42 C ATOM 20 O ILE A 249 -0.420 -10.988 -9.246 1.00 0.50 O ATOM 21 CB ILE A 249 2.276 -9.510 -9.310 1.00 0.47 C ATOM 22 CG1 ILE A 249 3.805 -9.573 -9.229 1.00 0.54 C ATOM 23 CG2 ILE A 249 1.795 -8.069 -9.203 1.00 0.50 C ATOM 24 CD1 ILE A 249 4.512 -8.869 -10.369 1.00 0.65 C ATOM 0 H ILE A 249 2.260 -12.126 -9.184 1.00 0.45 H new ATOM 0 HA ILE A 249 1.926 -9.958 -7.231 1.00 0.43 H new ATOM 0 HB ILE A 249 1.961 -9.903 -10.277 1.00 0.47 H new ATOM 0 HG12 ILE A 249 4.127 -9.130 -8.287 1.00 0.54 H new ATOM 0 HG13 ILE A 249 4.115 -10.618 -9.213 1.00 0.54 H new ATOM 0 HG21 ILE A 249 2.249 -7.474 -9.995 1.00 0.50 H new ATOM 0 HG22 ILE A 249 0.710 -8.039 -9.303 1.00 0.50 H new ATOM 0 HG23 ILE A 249 2.081 -7.661 -8.234 1.00 0.50 H new ATOM 0 HD11 ILE A 249 5.591 -8.959 -10.239 1.00 0.65 H new ATOM 0 HD12 ILE A 249 4.221 -9.326 -11.315 1.00 0.65 H new ATOM 0 HD13 ILE A 249 4.234 -7.815 -10.374 1.00 0.65 H new ATOM 36 N ILE A 250 -0.540 -9.669 -7.430 1.00 0.39 N ATOM 37 CA ILE A 250 -1.992 -9.587 -7.458 1.00 0.41 C ATOM 38 C ILE A 250 -2.463 -8.133 -7.430 1.00 0.37 C ATOM 39 O ILE A 250 -2.030 -7.342 -6.588 1.00 0.36 O ATOM 40 CB ILE A 250 -2.629 -10.364 -6.278 1.00 0.44 C ATOM 41 CG1 ILE A 250 -2.432 -11.874 -6.465 1.00 0.48 C ATOM 42 CG2 ILE A 250 -4.112 -10.039 -6.151 1.00 0.55 C ATOM 43 CD1 ILE A 250 -3.033 -12.711 -5.351 1.00 0.54 C ATOM 0 H ILE A 250 -0.102 -9.153 -6.667 1.00 0.39 H new ATOM 0 HA ILE A 250 -2.318 -10.047 -8.391 1.00 0.41 H new ATOM 0 HB ILE A 250 -2.131 -10.054 -5.359 1.00 0.44 H new ATOM 0 HG12 ILE A 250 -2.877 -12.175 -7.414 1.00 0.48 H new ATOM 0 HG13 ILE A 250 -1.365 -12.087 -6.532 1.00 0.48 H new ATOM 0 HG21 ILE A 250 -4.536 -10.596 -5.316 1.00 0.55 H new ATOM 0 HG22 ILE A 250 -4.237 -8.971 -5.975 1.00 0.55 H new ATOM 0 HG23 ILE A 250 -4.626 -10.317 -7.071 1.00 0.55 H new ATOM 0 HD11 ILE A 250 -2.854 -13.767 -5.552 1.00 0.54 H new ATOM 0 HD12 ILE A 250 -2.571 -12.439 -4.402 1.00 0.54 H new ATOM 0 HD13 ILE A 250 -4.106 -12.529 -5.297 1.00 0.54 H new ATOM 55 N THR A 251 -3.331 -7.784 -8.369 1.00 0.40 N ATOM 56 CA THR A 251 -3.879 -6.442 -8.454 1.00 0.39 C ATOM 57 C THR A 251 -5.314 -6.441 -7.947 1.00 0.40 C ATOM 58 O THR A 251 -6.170 -7.145 -8.487 1.00 0.48 O ATOM 59 CB THR A 251 -3.851 -5.922 -9.901 1.00 0.46 C ATOM 60 OG1 THR A 251 -2.731 -6.485 -10.599 1.00 0.59 O ATOM 61 CG2 THR A 251 -3.761 -4.405 -9.929 1.00 0.47 C ATOM 0 H THR A 251 -3.672 -8.421 -9.089 1.00 0.40 H new ATOM 0 HA THR A 251 -3.265 -5.785 -7.838 1.00 0.39 H new ATOM 0 HB THR A 251 -4.776 -6.223 -10.392 1.00 0.46 H new ATOM 0 HG1 THR A 251 -2.719 -6.152 -11.521 1.00 0.59 H new ATOM 0 HG21 THR A 251 -3.743 -4.061 -10.963 1.00 0.47 H new ATOM 0 HG22 THR A 251 -4.626 -3.980 -9.420 1.00 0.47 H new ATOM 0 HG23 THR A 251 -2.850 -4.085 -9.424 1.00 0.47 H new ATOM 69 N VAL A 252 -5.579 -5.668 -6.907 1.00 0.36 N ATOM 70 CA VAL A 252 -6.914 -5.608 -6.335 1.00 0.38 C ATOM 71 C VAL A 252 -7.464 -4.187 -6.347 1.00 0.35 C ATOM 72 O VAL A 252 -6.722 -3.220 -6.172 1.00 0.39 O ATOM 73 CB VAL A 252 -6.932 -6.135 -4.881 1.00 0.41 C ATOM 74 CG1 VAL A 252 -6.438 -7.570 -4.820 1.00 0.50 C ATOM 75 CG2 VAL A 252 -6.095 -5.251 -3.968 1.00 0.40 C ATOM 0 H VAL A 252 -4.891 -5.075 -6.443 1.00 0.36 H new ATOM 0 HA VAL A 252 -7.544 -6.244 -6.957 1.00 0.38 H new ATOM 0 HB VAL A 252 -7.964 -6.108 -4.532 1.00 0.41 H new ATOM 0 HG11 VAL A 252 -6.460 -7.919 -3.788 1.00 0.50 H new ATOM 0 HG12 VAL A 252 -7.082 -8.203 -5.430 1.00 0.50 H new ATOM 0 HG13 VAL A 252 -5.417 -7.620 -5.198 1.00 0.50 H new ATOM 0 HG21 VAL A 252 -6.126 -5.645 -2.952 1.00 0.40 H new ATOM 0 HG22 VAL A 252 -5.064 -5.237 -4.321 1.00 0.40 H new ATOM 0 HG23 VAL A 252 -6.495 -4.237 -3.976 1.00 0.40 H new ATOM 85 N THR A 253 -8.762 -4.064 -6.570 1.00 0.39 N ATOM 86 CA THR A 253 -9.412 -2.769 -6.568 1.00 0.40 C ATOM 87 C THR A 253 -10.258 -2.655 -5.300 1.00 0.39 C ATOM 88 O THR A 253 -10.992 -3.581 -4.943 1.00 0.54 O ATOM 89 CB THR A 253 -10.271 -2.546 -7.842 1.00 0.50 C ATOM 90 OG1 THR A 253 -10.748 -1.196 -7.891 1.00 0.76 O ATOM 91 CG2 THR A 253 -11.452 -3.504 -7.904 1.00 0.79 C ATOM 0 H THR A 253 -9.386 -4.849 -6.755 1.00 0.39 H new ATOM 0 HA THR A 253 -8.651 -1.988 -6.577 1.00 0.40 H new ATOM 0 HB THR A 253 -9.630 -2.741 -8.702 1.00 0.50 H new ATOM 0 HG1 THR A 253 -11.287 -1.068 -8.700 1.00 0.76 H new ATOM 0 HG21 THR A 253 -12.027 -3.315 -8.810 1.00 0.79 H new ATOM 0 HG22 THR A 253 -11.087 -4.531 -7.914 1.00 0.79 H new ATOM 0 HG23 THR A 253 -12.089 -3.353 -7.032 1.00 0.79 H new ATOM 99 N LEU A 254 -10.123 -1.547 -4.594 1.00 0.33 N ATOM 100 CA LEU A 254 -10.856 -1.362 -3.353 1.00 0.35 C ATOM 101 C LEU A 254 -11.861 -0.222 -3.456 1.00 0.35 C ATOM 102 O LEU A 254 -11.583 0.817 -4.057 1.00 0.37 O ATOM 103 CB LEU A 254 -9.884 -1.099 -2.202 1.00 0.36 C ATOM 104 CG LEU A 254 -8.732 -2.099 -2.077 1.00 0.39 C ATOM 105 CD1 LEU A 254 -7.783 -1.683 -0.969 1.00 0.46 C ATOM 106 CD2 LEU A 254 -9.260 -3.500 -1.815 1.00 0.45 C ATOM 0 H LEU A 254 -9.519 -0.768 -4.855 1.00 0.33 H new ATOM 0 HA LEU A 254 -11.411 -2.279 -3.158 1.00 0.35 H new ATOM 0 HB2 LEU A 254 -9.465 -0.100 -2.323 1.00 0.36 H new ATOM 0 HB3 LEU A 254 -10.445 -1.098 -1.268 1.00 0.36 H new ATOM 0 HG LEU A 254 -8.187 -2.106 -3.021 1.00 0.39 H new ATOM 0 HD11 LEU A 254 -6.971 -2.406 -0.895 1.00 0.46 H new ATOM 0 HD12 LEU A 254 -7.373 -0.698 -1.192 1.00 0.46 H new ATOM 0 HD13 LEU A 254 -8.323 -1.646 -0.023 1.00 0.46 H new ATOM 0 HD21 LEU A 254 -8.424 -4.194 -1.730 1.00 0.45 H new ATOM 0 HD22 LEU A 254 -9.832 -3.506 -0.887 1.00 0.45 H new ATOM 0 HD23 LEU A 254 -9.903 -3.807 -2.640 1.00 0.45 H new ATOM 118 N ASN A 255 -13.031 -0.437 -2.866 1.00 0.40 N ATOM 119 CA ASN A 255 -14.095 0.557 -2.865 1.00 0.44 C ATOM 120 C ASN A 255 -13.849 1.592 -1.777 1.00 0.40 C ATOM 121 O ASN A 255 -13.850 1.267 -0.583 1.00 0.39 O ATOM 122 CB ASN A 255 -15.449 -0.118 -2.645 1.00 0.50 C ATOM 123 CG ASN A 255 -16.576 0.883 -2.490 1.00 0.55 C ATOM 124 OD1 ASN A 255 -16.866 1.347 -1.384 1.00 0.52 O ATOM 125 ND2 ASN A 255 -17.214 1.224 -3.593 1.00 0.65 N ATOM 0 H ASN A 255 -13.267 -1.301 -2.378 1.00 0.40 H new ATOM 0 HA ASN A 255 -14.103 1.058 -3.833 1.00 0.44 H new ATOM 0 HB2 ASN A 255 -15.665 -0.776 -3.487 1.00 0.50 H new ATOM 0 HB3 ASN A 255 -15.399 -0.745 -1.755 1.00 0.50 H new ATOM 0 HD21 ASN A 255 -17.980 1.896 -3.552 1.00 0.65 H new ATOM 0 HD22 ASN A 255 -16.941 0.816 -4.487 1.00 0.65 H new ATOM 132 N MET A 256 -13.653 2.834 -2.195 1.00 0.41 N ATOM 133 CA MET A 256 -13.392 3.926 -1.265 1.00 0.41 C ATOM 134 C MET A 256 -14.655 4.734 -0.976 1.00 0.44 C ATOM 135 O MET A 256 -14.588 5.823 -0.402 1.00 0.49 O ATOM 136 CB MET A 256 -12.298 4.846 -1.812 1.00 0.43 C ATOM 137 CG MET A 256 -10.944 4.167 -1.941 1.00 0.45 C ATOM 138 SD MET A 256 -10.345 3.496 -0.376 1.00 0.56 S ATOM 139 CE MET A 256 -9.980 5.003 0.518 1.00 0.63 C ATOM 0 H MET A 256 -13.670 3.113 -3.176 1.00 0.41 H new ATOM 0 HA MET A 256 -13.053 3.483 -0.328 1.00 0.41 H new ATOM 0 HB2 MET A 256 -12.603 5.219 -2.790 1.00 0.43 H new ATOM 0 HB3 MET A 256 -12.201 5.712 -1.157 1.00 0.43 H new ATOM 0 HG2 MET A 256 -11.015 3.362 -2.673 1.00 0.45 H new ATOM 0 HG3 MET A 256 -10.218 4.884 -2.325 1.00 0.45 H new ATOM 0 HE1 MET A 256 -9.437 4.762 1.432 1.00 0.63 H new ATOM 0 HE2 MET A 256 -9.370 5.657 -0.105 1.00 0.63 H new ATOM 0 HE3 MET A 256 -10.911 5.510 0.772 1.00 0.63 H new ATOM 149 N GLU A 257 -15.801 4.203 -1.371 1.00 0.46 N ATOM 150 CA GLU A 257 -17.069 4.877 -1.133 1.00 0.51 C ATOM 151 C GLU A 257 -17.590 4.521 0.251 1.00 0.49 C ATOM 152 O GLU A 257 -18.004 5.389 1.016 1.00 0.56 O ATOM 153 CB GLU A 257 -18.100 4.492 -2.198 1.00 0.56 C ATOM 154 CG GLU A 257 -17.640 4.767 -3.622 1.00 0.67 C ATOM 155 CD GLU A 257 -17.338 6.232 -3.879 1.00 0.86 C ATOM 156 OE1 GLU A 257 -17.745 7.088 -3.060 1.00 1.23 O ATOM 157 OE2 GLU A 257 -16.694 6.533 -4.904 1.00 1.27 O ATOM 0 H GLU A 257 -15.880 3.310 -1.857 1.00 0.46 H new ATOM 0 HA GLU A 257 -16.905 5.953 -1.191 1.00 0.51 H new ATOM 0 HB2 GLU A 257 -18.333 3.432 -2.099 1.00 0.56 H new ATOM 0 HB3 GLU A 257 -19.024 5.040 -2.012 1.00 0.56 H new ATOM 0 HG2 GLU A 257 -16.747 4.177 -3.829 1.00 0.67 H new ATOM 0 HG3 GLU A 257 -18.411 4.434 -4.317 1.00 0.67 H new ATOM 164 N ARG A 258 -17.561 3.232 0.568 1.00 0.45 N ATOM 165 CA ARG A 258 -18.027 2.751 1.860 1.00 0.45 C ATOM 166 C ARG A 258 -16.896 2.805 2.889 1.00 0.43 C ATOM 167 O ARG A 258 -17.128 2.797 4.096 1.00 0.63 O ATOM 168 CB ARG A 258 -18.566 1.323 1.722 1.00 0.48 C ATOM 169 CG ARG A 258 -19.178 0.760 2.994 1.00 0.56 C ATOM 170 CD ARG A 258 -19.708 -0.647 2.779 1.00 0.64 C ATOM 171 NE ARG A 258 -19.982 -1.325 4.043 1.00 0.75 N ATOM 172 CZ ARG A 258 -20.210 -2.633 4.161 1.00 0.86 C ATOM 173 NH1 ARG A 258 -20.248 -3.412 3.085 1.00 1.01 N ATOM 174 NH2 ARG A 258 -20.416 -3.158 5.360 1.00 1.06 N ATOM 0 H ARG A 258 -17.218 2.500 -0.055 1.00 0.45 H new ATOM 0 HA ARG A 258 -18.834 3.396 2.208 1.00 0.45 H new ATOM 0 HB2 ARG A 258 -19.317 1.305 0.933 1.00 0.48 H new ATOM 0 HB3 ARG A 258 -17.754 0.670 1.403 1.00 0.48 H new ATOM 0 HG2 ARG A 258 -18.430 0.751 3.787 1.00 0.56 H new ATOM 0 HG3 ARG A 258 -19.988 1.408 3.328 1.00 0.56 H new ATOM 0 HD2 ARG A 258 -20.621 -0.604 2.185 1.00 0.64 H new ATOM 0 HD3 ARG A 258 -18.982 -1.225 2.207 1.00 0.64 H new ATOM 0 HE ARG A 258 -20.000 -0.760 4.892 1.00 0.75 H new ATOM 0 HH11 ARG A 258 -20.102 -3.010 2.159 1.00 1.01 H new ATOM 0 HH12 ARG A 258 -20.423 -4.412 3.185 1.00 1.01 H new ATOM 0 HH21 ARG A 258 -20.400 -2.562 6.187 1.00 1.06 H new ATOM 0 HH22 ARG A 258 -20.591 -4.158 5.456 1.00 1.06 H new ATOM 188 N HIS A 259 -15.667 2.878 2.401 1.00 0.37 N ATOM 189 CA HIS A 259 -14.502 2.931 3.274 1.00 0.35 C ATOM 190 C HIS A 259 -13.837 4.294 3.160 1.00 0.40 C ATOM 191 O HIS A 259 -13.705 4.825 2.066 1.00 0.63 O ATOM 192 CB HIS A 259 -13.511 1.819 2.912 1.00 0.38 C ATOM 193 CG HIS A 259 -14.113 0.448 2.982 1.00 0.46 C ATOM 194 ND1 HIS A 259 -14.446 -0.290 1.865 1.00 0.61 N ATOM 195 CD2 HIS A 259 -14.450 -0.315 4.048 1.00 0.58 C ATOM 196 CE1 HIS A 259 -14.967 -1.444 2.244 1.00 0.76 C ATOM 197 NE2 HIS A 259 -14.982 -1.483 3.562 1.00 0.75 N ATOM 0 H HIS A 259 -15.449 2.902 1.405 1.00 0.37 H new ATOM 0 HA HIS A 259 -14.823 2.779 4.304 1.00 0.35 H new ATOM 0 HB2 HIS A 259 -13.132 1.992 1.905 1.00 0.38 H new ATOM 0 HB3 HIS A 259 -12.656 1.869 3.587 1.00 0.38 H new ATOM 0 HD1 HIS A 259 -14.311 0.008 0.899 1.00 0.61 H new ATOM 0 HD2 HIS A 259 -14.324 -0.053 5.088 1.00 0.58 H new ATOM 0 HE1 HIS A 259 -15.321 -2.223 1.585 1.00 0.76 H new ATOM 206 N HIS A 260 -13.419 4.858 4.285 1.00 0.36 N ATOM 207 CA HIS A 260 -12.791 6.180 4.278 1.00 0.42 C ATOM 208 C HIS A 260 -11.275 6.081 4.403 1.00 0.35 C ATOM 209 O HIS A 260 -10.589 7.100 4.480 1.00 0.42 O ATOM 210 CB HIS A 260 -13.335 7.048 5.420 1.00 0.56 C ATOM 211 CG HIS A 260 -14.823 6.979 5.593 1.00 0.71 C ATOM 212 ND1 HIS A 260 -15.724 7.383 4.628 1.00 0.97 N ATOM 213 CD2 HIS A 260 -15.568 6.535 6.633 1.00 0.88 C ATOM 214 CE1 HIS A 260 -16.954 7.187 5.070 1.00 1.09 C ATOM 215 NE2 HIS A 260 -16.884 6.673 6.281 1.00 1.01 N ATOM 0 H HIS A 260 -13.500 4.429 5.207 1.00 0.36 H new ATOM 0 HA HIS A 260 -13.034 6.643 3.322 1.00 0.42 H new ATOM 0 HB2 HIS A 260 -12.858 6.743 6.351 1.00 0.56 H new ATOM 0 HB3 HIS A 260 -13.050 8.085 5.241 1.00 0.56 H new ATOM 0 HD2 HIS A 260 -15.193 6.144 7.568 1.00 0.88 H new ATOM 0 HE1 HIS A 260 -17.862 7.410 4.530 1.00 1.09 H new ATOM 0 HE2 HIS A 260 -17.682 6.419 6.863 1.00 1.01 H new ATOM 224 N PHE A 261 -10.755 4.859 4.424 1.00 0.30 N ATOM 225 CA PHE A 261 -9.317 4.645 4.561 1.00 0.25 C ATOM 226 C PHE A 261 -8.920 3.255 4.069 1.00 0.21 C ATOM 227 O PHE A 261 -9.779 2.388 3.872 1.00 0.22 O ATOM 228 CB PHE A 261 -8.887 4.838 6.024 1.00 0.28 C ATOM 229 CG PHE A 261 -9.472 3.837 6.990 1.00 0.32 C ATOM 230 CD1 PHE A 261 -10.834 3.806 7.247 1.00 0.52 C ATOM 231 CD2 PHE A 261 -8.654 2.932 7.644 1.00 0.36 C ATOM 232 CE1 PHE A 261 -11.366 2.894 8.139 1.00 0.62 C ATOM 233 CE2 PHE A 261 -9.179 2.018 8.536 1.00 0.44 C ATOM 234 CZ PHE A 261 -10.537 1.999 8.784 1.00 0.52 C ATOM 0 H PHE A 261 -11.305 4.003 4.348 1.00 0.30 H new ATOM 0 HA PHE A 261 -8.804 5.381 3.943 1.00 0.25 H new ATOM 0 HB2 PHE A 261 -7.800 4.783 6.079 1.00 0.28 H new ATOM 0 HB3 PHE A 261 -9.172 5.840 6.343 1.00 0.28 H new ATOM 0 HD1 PHE A 261 -11.488 4.503 6.744 1.00 0.52 H new ATOM 0 HD2 PHE A 261 -7.591 2.941 7.454 1.00 0.36 H new ATOM 0 HE1 PHE A 261 -12.429 2.882 8.331 1.00 0.62 H new ATOM 0 HE2 PHE A 261 -8.528 1.319 9.039 1.00 0.44 H new ATOM 0 HZ PHE A 261 -10.950 1.285 9.481 1.00 0.52 H new ATOM 244 N LEU A 262 -7.621 3.052 3.881 1.00 0.17 N ATOM 245 CA LEU A 262 -7.097 1.777 3.414 1.00 0.14 C ATOM 246 C LEU A 262 -7.110 0.767 4.554 1.00 0.12 C ATOM 247 O LEU A 262 -7.662 -0.329 4.420 1.00 0.14 O ATOM 248 CB LEU A 262 -5.676 1.960 2.858 1.00 0.14 C ATOM 249 CG LEU A 262 -5.586 2.239 1.353 1.00 0.19 C ATOM 250 CD1 LEU A 262 -4.166 2.010 0.858 1.00 0.23 C ATOM 251 CD2 LEU A 262 -6.563 1.370 0.575 1.00 0.34 C ATOM 0 H LEU A 262 -6.907 3.762 4.047 1.00 0.17 H new ATOM 0 HA LEU A 262 -7.729 1.400 2.610 1.00 0.14 H new ATOM 0 HB2 LEU A 262 -5.199 2.782 3.391 1.00 0.14 H new ATOM 0 HB3 LEU A 262 -5.100 1.061 3.078 1.00 0.14 H new ATOM 0 HG LEU A 262 -5.855 3.282 1.186 1.00 0.19 H new ATOM 0 HD11 LEU A 262 -4.117 2.212 -0.212 1.00 0.23 H new ATOM 0 HD12 LEU A 262 -3.485 2.678 1.385 1.00 0.23 H new ATOM 0 HD13 LEU A 262 -3.878 0.976 1.046 1.00 0.23 H new ATOM 0 HD21 LEU A 262 -6.477 1.589 -0.489 1.00 0.34 H new ATOM 0 HD22 LEU A 262 -6.333 0.319 0.749 1.00 0.34 H new ATOM 0 HD23 LEU A 262 -7.580 1.579 0.908 1.00 0.34 H new ATOM 263 N GLY A 263 -6.514 1.147 5.675 1.00 0.11 N ATOM 264 CA GLY A 263 -6.483 0.288 6.837 1.00 0.12 C ATOM 265 C GLY A 263 -5.292 -0.646 6.852 1.00 0.11 C ATOM 266 O GLY A 263 -5.423 -1.812 7.223 1.00 0.14 O ATOM 0 H GLY A 263 -6.047 2.045 5.799 1.00 0.11 H new ATOM 0 HA2 GLY A 263 -6.466 0.904 7.736 1.00 0.12 H new ATOM 0 HA3 GLY A 263 -7.400 -0.301 6.871 1.00 0.12 H new ATOM 270 N ILE A 264 -4.129 -0.147 6.458 1.00 0.09 N ATOM 271 CA ILE A 264 -2.926 -0.964 6.442 1.00 0.09 C ATOM 272 C ILE A 264 -1.720 -0.197 6.966 1.00 0.08 C ATOM 273 O ILE A 264 -1.629 1.027 6.831 1.00 0.11 O ATOM 274 CB ILE A 264 -2.599 -1.499 5.029 1.00 0.12 C ATOM 275 CG1 ILE A 264 -2.816 -0.405 3.978 1.00 0.14 C ATOM 276 CG2 ILE A 264 -3.435 -2.733 4.717 1.00 0.17 C ATOM 277 CD1 ILE A 264 -2.346 -0.789 2.591 1.00 0.18 C ATOM 0 H ILE A 264 -3.994 0.815 6.147 1.00 0.09 H new ATOM 0 HA ILE A 264 -3.133 -1.809 7.098 1.00 0.09 H new ATOM 0 HB ILE A 264 -1.549 -1.790 5.002 1.00 0.12 H new ATOM 0 HG12 ILE A 264 -3.877 -0.159 3.937 1.00 0.14 H new ATOM 0 HG13 ILE A 264 -2.291 0.497 4.293 1.00 0.14 H new ATOM 0 HG21 ILE A 264 -3.191 -3.095 3.718 1.00 0.17 H new ATOM 0 HG22 ILE A 264 -3.220 -3.512 5.448 1.00 0.17 H new ATOM 0 HG23 ILE A 264 -4.493 -2.476 4.761 1.00 0.17 H new ATOM 0 HD11 ILE A 264 -2.533 0.035 1.902 1.00 0.18 H new ATOM 0 HD12 ILE A 264 -1.278 -1.006 2.616 1.00 0.18 H new ATOM 0 HD13 ILE A 264 -2.888 -1.673 2.255 1.00 0.18 H new ATOM 289 N SER A 265 -0.803 -0.933 7.577 1.00 0.09 N ATOM 290 CA SER A 265 0.421 -0.359 8.105 1.00 0.12 C ATOM 291 C SER A 265 1.551 -0.590 7.115 1.00 0.11 C ATOM 292 O SER A 265 1.752 -1.711 6.644 1.00 0.19 O ATOM 293 CB SER A 265 0.766 -0.997 9.448 1.00 0.20 C ATOM 294 OG SER A 265 -0.144 -2.040 9.753 1.00 1.00 O ATOM 0 H SER A 265 -0.888 -1.939 7.719 1.00 0.09 H new ATOM 0 HA SER A 265 0.281 0.712 8.255 1.00 0.12 H new ATOM 0 HB2 SER A 265 1.782 -1.390 9.420 1.00 0.20 H new ATOM 0 HB3 SER A 265 0.738 -0.242 10.233 1.00 0.20 H new ATOM 0 HG SER A 265 -0.979 -1.656 10.094 1.00 1.00 H new ATOM 300 N ILE A 266 2.271 0.463 6.790 1.00 0.10 N ATOM 301 CA ILE A 266 3.365 0.362 5.845 1.00 0.11 C ATOM 302 C ILE A 266 4.683 0.133 6.577 1.00 0.13 C ATOM 303 O ILE A 266 5.090 0.937 7.410 1.00 0.28 O ATOM 304 CB ILE A 266 3.470 1.626 4.959 1.00 0.13 C ATOM 305 CG1 ILE A 266 2.083 2.082 4.467 1.00 0.14 C ATOM 306 CG2 ILE A 266 4.387 1.357 3.776 1.00 0.19 C ATOM 307 CD1 ILE A 266 1.257 0.969 3.858 1.00 0.16 C ATOM 0 H ILE A 266 2.119 1.399 7.166 1.00 0.10 H new ATOM 0 HA ILE A 266 3.160 -0.490 5.197 1.00 0.11 H new ATOM 0 HB ILE A 266 3.891 2.430 5.563 1.00 0.13 H new ATOM 0 HG12 ILE A 266 1.534 2.513 5.304 1.00 0.14 H new ATOM 0 HG13 ILE A 266 2.211 2.873 3.728 1.00 0.14 H new ATOM 0 HG21 ILE A 266 4.455 2.252 3.158 1.00 0.19 H new ATOM 0 HG22 ILE A 266 5.380 1.090 4.138 1.00 0.19 H new ATOM 0 HG23 ILE A 266 3.984 0.536 3.183 1.00 0.19 H new ATOM 0 HD11 ILE A 266 0.294 1.365 3.535 1.00 0.16 H new ATOM 0 HD12 ILE A 266 1.784 0.552 3.000 1.00 0.16 H new ATOM 0 HD13 ILE A 266 1.097 0.187 4.600 1.00 0.16 H new ATOM 319 N VAL A 267 5.330 -0.982 6.286 1.00 0.12 N ATOM 320 CA VAL A 267 6.597 -1.316 6.914 1.00 0.14 C ATOM 321 C VAL A 267 7.747 -1.123 5.935 1.00 0.14 C ATOM 322 O VAL A 267 7.839 -1.825 4.931 1.00 0.23 O ATOM 323 CB VAL A 267 6.602 -2.770 7.429 1.00 0.24 C ATOM 324 CG1 VAL A 267 7.921 -3.099 8.107 1.00 0.29 C ATOM 325 CG2 VAL A 267 5.442 -3.006 8.381 1.00 0.31 C ATOM 0 H VAL A 267 4.997 -1.675 5.615 1.00 0.12 H new ATOM 0 HA VAL A 267 6.727 -0.645 7.763 1.00 0.14 H new ATOM 0 HB VAL A 267 6.484 -3.432 6.571 1.00 0.24 H new ATOM 0 HG11 VAL A 267 7.901 -4.129 8.462 1.00 0.29 H new ATOM 0 HG12 VAL A 267 8.737 -2.977 7.395 1.00 0.29 H new ATOM 0 HG13 VAL A 267 8.073 -2.427 8.952 1.00 0.29 H new ATOM 0 HG21 VAL A 267 5.464 -4.038 8.733 1.00 0.31 H new ATOM 0 HG22 VAL A 267 5.527 -2.331 9.232 1.00 0.31 H new ATOM 0 HG23 VAL A 267 4.502 -2.819 7.862 1.00 0.31 H new ATOM 335 N GLY A 268 8.607 -0.156 6.225 1.00 0.17 N ATOM 336 CA GLY A 268 9.744 0.111 5.365 1.00 0.23 C ATOM 337 C GLY A 268 11.002 -0.557 5.878 1.00 0.23 C ATOM 338 O GLY A 268 11.394 -0.351 7.028 1.00 0.37 O ATOM 0 H GLY A 268 8.538 0.450 7.043 1.00 0.17 H new ATOM 0 HA2 GLY A 268 9.529 -0.243 4.357 1.00 0.23 H new ATOM 0 HA3 GLY A 268 9.905 1.187 5.297 1.00 0.23 H new ATOM 342 N GLN A 269 11.626 -1.371 5.041 1.00 0.27 N ATOM 343 CA GLN A 269 12.844 -2.069 5.429 1.00 0.34 C ATOM 344 C GLN A 269 14.071 -1.202 5.168 1.00 0.38 C ATOM 345 O GLN A 269 14.614 -1.189 4.062 1.00 0.50 O ATOM 346 CB GLN A 269 12.966 -3.398 4.683 1.00 0.49 C ATOM 347 CG GLN A 269 12.864 -4.611 5.594 1.00 0.67 C ATOM 348 CD GLN A 269 13.058 -5.922 4.852 1.00 1.19 C ATOM 349 OE1 GLN A 269 13.864 -5.898 3.802 1.00 1.81 O flip ATOM 350 NE2 GLN A 269 12.499 -6.951 5.229 1.00 1.87 N flip ATOM 0 H GLN A 269 11.311 -1.565 4.090 1.00 0.27 H new ATOM 0 HA GLN A 269 12.788 -2.275 6.498 1.00 0.34 H new ATOM 0 HB2 GLN A 269 12.184 -3.455 3.926 1.00 0.49 H new ATOM 0 HB3 GLN A 269 13.921 -3.426 4.158 1.00 0.49 H new ATOM 0 HG2 GLN A 269 13.612 -4.531 6.383 1.00 0.67 H new ATOM 0 HG3 GLN A 269 11.888 -4.614 6.079 1.00 0.67 H new ATOM 0 HE21 GLN A 269 11.885 -6.929 6.043 1.00 1.87 H new ATOM 0 HE22 GLN A 269 12.650 -7.826 4.727 1.00 1.87 H new ATOM 359 N SER A 270 14.488 -0.465 6.187 1.00 0.55 N ATOM 360 CA SER A 270 15.651 0.405 6.079 1.00 0.70 C ATOM 361 C SER A 270 16.668 0.074 7.170 1.00 0.83 C ATOM 362 O SER A 270 16.419 0.316 8.350 1.00 1.17 O ATOM 363 CB SER A 270 15.224 1.875 6.188 1.00 0.96 C ATOM 364 OG SER A 270 13.931 2.084 5.630 1.00 1.10 O ATOM 0 H SER A 270 14.037 -0.452 7.102 1.00 0.55 H new ATOM 0 HA SER A 270 16.116 0.242 5.107 1.00 0.70 H new ATOM 0 HB2 SER A 270 15.223 2.178 7.235 1.00 0.96 H new ATOM 0 HB3 SER A 270 15.950 2.505 5.674 1.00 0.96 H new ATOM 0 HG SER A 270 13.687 3.029 5.716 1.00 1.10 H new ATOM 370 N ASN A 271 17.798 -0.509 6.779 1.00 0.91 N ATOM 371 CA ASN A 271 18.845 -0.861 7.735 1.00 1.15 C ATOM 372 C ASN A 271 20.169 -0.218 7.344 1.00 1.04 C ATOM 373 O ASN A 271 20.860 0.367 8.177 1.00 1.29 O ATOM 374 CB ASN A 271 19.016 -2.381 7.820 1.00 1.43 C ATOM 375 CG ASN A 271 20.043 -2.793 8.862 1.00 2.09 C ATOM 376 OD1 ASN A 271 19.757 -2.802 10.060 1.00 2.75 O ATOM 377 ND2 ASN A 271 21.239 -3.151 8.418 1.00 2.37 N ATOM 0 H ASN A 271 18.012 -0.747 5.811 1.00 0.91 H new ATOM 0 HA ASN A 271 18.543 -0.485 8.713 1.00 1.15 H new ATOM 0 HB2 ASN A 271 18.056 -2.839 8.060 1.00 1.43 H new ATOM 0 HB3 ASN A 271 19.318 -2.765 6.845 1.00 1.43 H new ATOM 0 HD21 ASN A 271 21.960 -3.447 9.076 1.00 2.37 H new ATOM 0 HD22 ASN A 271 21.439 -3.131 7.418 1.00 2.37 H new ATOM 384 N ASP A 272 20.509 -0.328 6.069 1.00 1.04 N ATOM 385 CA ASP A 272 21.752 0.229 5.543 1.00 1.02 C ATOM 386 C ASP A 272 21.541 0.737 4.123 1.00 1.00 C ATOM 387 O ASP A 272 21.620 1.935 3.863 1.00 1.14 O ATOM 388 CB ASP A 272 22.873 -0.822 5.562 1.00 1.26 C ATOM 389 CG ASP A 272 22.372 -2.246 5.369 1.00 1.61 C ATOM 390 OD1 ASP A 272 21.483 -2.470 4.518 1.00 2.08 O ATOM 391 OD2 ASP A 272 22.856 -3.146 6.085 1.00 1.91 O ATOM 0 H ASP A 272 19.937 -0.803 5.371 1.00 1.04 H new ATOM 0 HA ASP A 272 22.048 1.062 6.180 1.00 1.02 H new ATOM 0 HB2 ASP A 272 23.593 -0.589 4.777 1.00 1.26 H new ATOM 0 HB3 ASP A 272 23.405 -0.758 6.511 1.00 1.26 H new ATOM 396 N ARG A 273 21.272 -0.194 3.215 1.00 1.07 N ATOM 397 CA ARG A 273 21.028 0.121 1.813 1.00 1.28 C ATOM 398 C ARG A 273 19.817 1.031 1.670 1.00 1.10 C ATOM 399 O ARG A 273 19.876 2.065 1.005 1.00 1.41 O ATOM 400 CB ARG A 273 20.803 -1.163 1.016 1.00 1.59 C ATOM 401 CG ARG A 273 21.989 -1.568 0.158 1.00 1.84 C ATOM 402 CD ARG A 273 22.264 -0.541 -0.928 1.00 1.60 C ATOM 403 NE ARG A 273 23.045 -1.105 -2.024 1.00 1.78 N ATOM 404 CZ ARG A 273 22.512 -1.665 -3.106 1.00 2.01 C ATOM 405 NH1 ARG A 273 21.194 -1.709 -3.261 1.00 1.92 N ATOM 406 NH2 ARG A 273 23.302 -2.170 -4.046 1.00 2.63 N ATOM 0 H ARG A 273 21.217 -1.189 3.431 1.00 1.07 H new ATOM 0 HA ARG A 273 21.904 0.639 1.422 1.00 1.28 H new ATOM 0 HB2 ARG A 273 20.573 -1.973 1.708 1.00 1.59 H new ATOM 0 HB3 ARG A 273 19.930 -1.034 0.376 1.00 1.59 H new ATOM 0 HG2 ARG A 273 22.873 -1.681 0.786 1.00 1.84 H new ATOM 0 HG3 ARG A 273 21.796 -2.539 -0.298 1.00 1.84 H new ATOM 0 HD2 ARG A 273 21.319 -0.159 -1.314 1.00 1.60 H new ATOM 0 HD3 ARG A 273 22.799 0.306 -0.499 1.00 1.60 H new ATOM 0 HE ARG A 273 24.062 -1.067 -1.956 1.00 1.78 H new ATOM 0 HH11 ARG A 273 20.583 -1.312 -2.547 1.00 1.92 H new ATOM 0 HH12 ARG A 273 20.793 -2.140 -4.094 1.00 1.92 H new ATOM 0 HH21 ARG A 273 24.315 -2.128 -3.937 1.00 2.63 H new ATOM 0 HH22 ARG A 273 22.896 -2.600 -4.877 1.00 2.63 H new ATOM 420 N GLY A 274 18.718 0.635 2.293 1.00 0.89 N ATOM 421 CA GLY A 274 17.513 1.431 2.237 1.00 0.89 C ATOM 422 C GLY A 274 16.519 0.925 1.213 1.00 0.72 C ATOM 423 O GLY A 274 15.316 0.939 1.461 1.00 0.97 O ATOM 0 H GLY A 274 18.640 -0.225 2.837 1.00 0.89 H new ATOM 0 HA2 GLY A 274 17.042 1.438 3.220 1.00 0.89 H new ATOM 0 HA3 GLY A 274 17.776 2.462 2.002 1.00 0.89 H new ATOM 427 N ASP A 275 17.015 0.457 0.072 1.00 0.65 N ATOM 428 CA ASP A 275 16.149 -0.045 -0.998 1.00 0.66 C ATOM 429 C ASP A 275 15.597 -1.434 -0.670 1.00 0.69 C ATOM 430 O ASP A 275 15.782 -2.395 -1.418 1.00 1.44 O ATOM 431 CB ASP A 275 16.890 -0.060 -2.346 1.00 0.91 C ATOM 432 CG ASP A 275 18.212 -0.808 -2.310 1.00 1.10 C ATOM 433 OD1 ASP A 275 19.211 -0.236 -1.829 1.00 1.53 O ATOM 434 OD2 ASP A 275 18.271 -1.957 -2.794 1.00 1.75 O ATOM 0 H ASP A 275 18.012 0.413 -0.139 1.00 0.65 H new ATOM 0 HA ASP A 275 15.303 0.638 -1.079 1.00 0.66 H new ATOM 0 HB2 ASP A 275 16.246 -0.515 -3.099 1.00 0.91 H new ATOM 0 HB3 ASP A 275 17.073 0.967 -2.661 1.00 0.91 H new ATOM 439 N GLY A 276 14.911 -1.528 0.457 1.00 0.48 N ATOM 440 CA GLY A 276 14.332 -2.787 0.872 1.00 0.43 C ATOM 441 C GLY A 276 12.890 -2.912 0.431 1.00 0.37 C ATOM 442 O GLY A 276 12.398 -4.018 0.206 1.00 0.52 O ATOM 0 H GLY A 276 14.744 -0.750 1.095 1.00 0.48 H new ATOM 0 HA2 GLY A 276 14.913 -3.610 0.455 1.00 0.43 H new ATOM 0 HA3 GLY A 276 14.390 -2.874 1.957 1.00 0.43 H new ATOM 446 N GLY A 277 12.216 -1.777 0.296 1.00 0.30 N ATOM 447 CA GLY A 277 10.829 -1.781 -0.117 1.00 0.29 C ATOM 448 C GLY A 277 9.880 -1.651 1.059 1.00 0.24 C ATOM 449 O GLY A 277 10.307 -1.665 2.218 1.00 0.27 O ATOM 0 H GLY A 277 12.608 -0.851 0.466 1.00 0.30 H new ATOM 0 HA2 GLY A 277 10.657 -0.960 -0.813 1.00 0.29 H new ATOM 0 HA3 GLY A 277 10.614 -2.705 -0.654 1.00 0.29 H new ATOM 453 N ILE A 278 8.593 -1.526 0.761 1.00 0.21 N ATOM 454 CA ILE A 278 7.579 -1.389 1.795 1.00 0.19 C ATOM 455 C ILE A 278 6.653 -2.603 1.815 1.00 0.18 C ATOM 456 O ILE A 278 6.147 -3.034 0.774 1.00 0.23 O ATOM 457 CB ILE A 278 6.749 -0.099 1.610 1.00 0.20 C ATOM 458 CG1 ILE A 278 6.284 0.050 0.157 1.00 0.23 C ATOM 459 CG2 ILE A 278 7.565 1.115 2.036 1.00 0.23 C ATOM 460 CD1 ILE A 278 5.249 1.138 -0.039 1.00 0.27 C ATOM 0 H ILE A 278 8.227 -1.517 -0.191 1.00 0.21 H new ATOM 0 HA ILE A 278 8.101 -1.326 2.750 1.00 0.19 H new ATOM 0 HB ILE A 278 5.863 -0.167 2.242 1.00 0.20 H new ATOM 0 HG12 ILE A 278 7.148 0.264 -0.472 1.00 0.23 H new ATOM 0 HG13 ILE A 278 5.870 -0.899 -0.183 1.00 0.23 H new ATOM 0 HG21 ILE A 278 6.970 2.019 1.901 1.00 0.23 H new ATOM 0 HG22 ILE A 278 7.843 1.017 3.085 1.00 0.23 H new ATOM 0 HG23 ILE A 278 8.466 1.180 1.426 1.00 0.23 H new ATOM 0 HD11 ILE A 278 4.967 1.186 -1.091 1.00 0.27 H new ATOM 0 HD12 ILE A 278 4.368 0.915 0.563 1.00 0.27 H new ATOM 0 HD13 ILE A 278 5.666 2.097 0.269 1.00 0.27 H new ATOM 472 N TYR A 279 6.450 -3.159 3.000 1.00 0.15 N ATOM 473 CA TYR A 279 5.601 -4.332 3.167 1.00 0.16 C ATOM 474 C TYR A 279 4.381 -4.001 4.017 1.00 0.15 C ATOM 475 O TYR A 279 4.347 -2.976 4.698 1.00 0.18 O ATOM 476 CB TYR A 279 6.386 -5.467 3.833 1.00 0.19 C ATOM 477 CG TYR A 279 7.583 -5.942 3.040 1.00 0.24 C ATOM 478 CD1 TYR A 279 8.815 -5.306 3.147 1.00 0.42 C ATOM 479 CD2 TYR A 279 7.478 -7.028 2.185 1.00 0.44 C ATOM 480 CE1 TYR A 279 9.910 -5.745 2.426 1.00 0.55 C ATOM 481 CE2 TYR A 279 8.567 -7.474 1.462 1.00 0.57 C ATOM 482 CZ TYR A 279 9.778 -6.829 1.583 1.00 0.55 C ATOM 483 OH TYR A 279 10.863 -7.272 0.859 1.00 0.72 O ATOM 0 H TYR A 279 6.864 -2.815 3.866 1.00 0.15 H new ATOM 0 HA TYR A 279 5.270 -4.649 2.178 1.00 0.16 H new ATOM 0 HB2 TYR A 279 6.724 -5.133 4.814 1.00 0.19 H new ATOM 0 HB3 TYR A 279 5.715 -6.310 3.997 1.00 0.19 H new ATOM 0 HD1 TYR A 279 8.918 -4.455 3.804 1.00 0.42 H new ATOM 0 HD2 TYR A 279 6.529 -7.534 2.083 1.00 0.44 H new ATOM 0 HE1 TYR A 279 10.861 -5.243 2.522 1.00 0.55 H new ATOM 0 HE2 TYR A 279 8.469 -8.325 0.804 1.00 0.57 H new ATOM 0 HH TYR A 279 10.743 -7.039 -0.085 1.00 0.72 H new ATOM 493 N ILE A 280 3.382 -4.868 3.963 1.00 0.16 N ATOM 494 CA ILE A 280 2.167 -4.690 4.746 1.00 0.16 C ATOM 495 C ILE A 280 2.370 -5.246 6.153 1.00 0.17 C ATOM 496 O ILE A 280 2.641 -6.436 6.321 1.00 0.21 O ATOM 497 CB ILE A 280 0.956 -5.395 4.088 1.00 0.19 C ATOM 498 CG1 ILE A 280 0.687 -4.821 2.692 1.00 0.21 C ATOM 499 CG2 ILE A 280 -0.286 -5.269 4.963 1.00 0.21 C ATOM 500 CD1 ILE A 280 0.304 -3.357 2.693 1.00 0.24 C ATOM 0 H ILE A 280 3.388 -5.706 3.382 1.00 0.16 H new ATOM 0 HA ILE A 280 1.957 -3.621 4.792 1.00 0.16 H new ATOM 0 HB ILE A 280 1.197 -6.453 3.985 1.00 0.19 H new ATOM 0 HG12 ILE A 280 1.578 -4.953 2.078 1.00 0.21 H new ATOM 0 HG13 ILE A 280 -0.112 -5.395 2.222 1.00 0.21 H new ATOM 0 HG21 ILE A 280 -1.124 -5.772 4.480 1.00 0.21 H new ATOM 0 HG22 ILE A 280 -0.096 -5.730 5.933 1.00 0.21 H new ATOM 0 HG23 ILE A 280 -0.527 -4.215 5.103 1.00 0.21 H new ATOM 0 HD11 ILE A 280 0.130 -3.026 1.669 1.00 0.24 H new ATOM 0 HD12 ILE A 280 -0.605 -3.219 3.278 1.00 0.24 H new ATOM 0 HD13 ILE A 280 1.111 -2.770 3.132 1.00 0.24 H new ATOM 512 N GLY A 281 2.262 -4.378 7.153 1.00 0.20 N ATOM 513 CA GLY A 281 2.434 -4.806 8.527 1.00 0.23 C ATOM 514 C GLY A 281 1.204 -5.506 9.065 1.00 0.24 C ATOM 515 O GLY A 281 1.233 -6.703 9.342 1.00 0.42 O ATOM 0 H GLY A 281 2.058 -3.385 7.036 1.00 0.20 H new ATOM 0 HA2 GLY A 281 3.290 -5.477 8.592 1.00 0.23 H new ATOM 0 HA3 GLY A 281 2.659 -3.941 9.150 1.00 0.23 H new ATOM 519 N SER A 282 0.122 -4.762 9.213 1.00 0.25 N ATOM 520 CA SER A 282 -1.122 -5.321 9.713 1.00 0.29 C ATOM 521 C SER A 282 -2.316 -4.653 9.043 1.00 0.26 C ATOM 522 O SER A 282 -2.212 -3.522 8.559 1.00 0.30 O ATOM 523 CB SER A 282 -1.201 -5.157 11.236 1.00 0.35 C ATOM 524 OG SER A 282 -0.578 -3.951 11.660 1.00 0.75 O ATOM 0 H SER A 282 0.080 -3.767 8.993 1.00 0.25 H new ATOM 0 HA SER A 282 -1.146 -6.384 9.474 1.00 0.29 H new ATOM 0 HB2 SER A 282 -2.245 -5.159 11.550 1.00 0.35 H new ATOM 0 HB3 SER A 282 -0.720 -6.007 11.721 1.00 0.35 H new ATOM 0 HG SER A 282 -0.618 -3.290 10.937 1.00 0.75 H new ATOM 530 N ILE A 283 -3.435 -5.356 9.007 1.00 0.24 N ATOM 531 CA ILE A 283 -4.652 -4.841 8.402 1.00 0.23 C ATOM 532 C ILE A 283 -5.658 -4.477 9.485 1.00 0.23 C ATOM 533 O ILE A 283 -5.867 -5.240 10.428 1.00 0.30 O ATOM 534 CB ILE A 283 -5.287 -5.873 7.448 1.00 0.27 C ATOM 535 CG1 ILE A 283 -4.236 -6.419 6.481 1.00 0.32 C ATOM 536 CG2 ILE A 283 -6.447 -5.252 6.677 1.00 0.29 C ATOM 537 CD1 ILE A 283 -4.680 -7.665 5.751 1.00 0.53 C ATOM 0 H ILE A 283 -3.526 -6.295 9.394 1.00 0.24 H new ATOM 0 HA ILE A 283 -4.386 -3.954 7.827 1.00 0.23 H new ATOM 0 HB ILE A 283 -5.676 -6.699 8.044 1.00 0.27 H new ATOM 0 HG12 ILE A 283 -3.990 -5.648 5.751 1.00 0.32 H new ATOM 0 HG13 ILE A 283 -3.323 -6.637 7.035 1.00 0.32 H new ATOM 0 HG21 ILE A 283 -6.881 -5.997 6.010 1.00 0.29 H new ATOM 0 HG22 ILE A 283 -7.207 -4.907 7.378 1.00 0.29 H new ATOM 0 HG23 ILE A 283 -6.084 -4.408 6.091 1.00 0.29 H new ATOM 0 HD11 ILE A 283 -3.886 -7.997 5.082 1.00 0.53 H new ATOM 0 HD12 ILE A 283 -4.899 -8.451 6.473 1.00 0.53 H new ATOM 0 HD13 ILE A 283 -5.576 -7.446 5.170 1.00 0.53 H new ATOM 549 N MET A 284 -6.266 -3.312 9.351 1.00 0.20 N ATOM 550 CA MET A 284 -7.245 -2.843 10.320 1.00 0.21 C ATOM 551 C MET A 284 -8.659 -3.179 9.867 1.00 0.22 C ATOM 552 O MET A 284 -9.079 -2.796 8.771 1.00 0.23 O ATOM 553 CB MET A 284 -7.091 -1.332 10.536 1.00 0.24 C ATOM 554 CG MET A 284 -5.820 -0.948 11.279 1.00 0.35 C ATOM 555 SD MET A 284 -5.744 -1.639 12.946 1.00 0.54 S ATOM 556 CE MET A 284 -4.567 -2.973 12.711 1.00 0.74 C ATOM 0 H MET A 284 -6.099 -2.669 8.577 1.00 0.20 H new ATOM 0 HA MET A 284 -7.066 -3.352 11.267 1.00 0.21 H new ATOM 0 HB2 MET A 284 -7.100 -0.832 9.567 1.00 0.24 H new ATOM 0 HB3 MET A 284 -7.953 -0.964 11.093 1.00 0.24 H new ATOM 0 HG2 MET A 284 -4.955 -1.289 10.710 1.00 0.35 H new ATOM 0 HG3 MET A 284 -5.754 0.138 11.338 1.00 0.35 H new ATOM 0 HE1 MET A 284 -4.006 -3.130 13.632 1.00 0.74 H new ATOM 0 HE2 MET A 284 -5.100 -3.887 12.451 1.00 0.74 H new ATOM 0 HE3 MET A 284 -3.878 -2.713 11.907 1.00 0.74 H new ATOM 566 N LYS A 285 -9.378 -3.915 10.710 1.00 0.28 N ATOM 567 CA LYS A 285 -10.749 -4.312 10.421 1.00 0.33 C ATOM 568 C LYS A 285 -11.620 -3.078 10.211 1.00 0.33 C ATOM 569 O LYS A 285 -11.781 -2.255 11.112 1.00 0.46 O ATOM 570 CB LYS A 285 -11.302 -5.165 11.566 1.00 0.43 C ATOM 571 CG LYS A 285 -12.563 -5.935 11.204 1.00 0.49 C ATOM 572 CD LYS A 285 -12.276 -7.064 10.227 1.00 0.63 C ATOM 573 CE LYS A 285 -13.445 -8.035 10.139 1.00 0.83 C ATOM 574 NZ LYS A 285 -14.676 -7.389 9.604 1.00 1.01 N ATOM 0 H LYS A 285 -9.027 -4.250 11.607 1.00 0.28 H new ATOM 0 HA LYS A 285 -10.759 -4.905 9.507 1.00 0.33 H new ATOM 0 HB2 LYS A 285 -10.535 -5.871 11.884 1.00 0.43 H new ATOM 0 HB3 LYS A 285 -11.514 -4.519 12.418 1.00 0.43 H new ATOM 0 HG2 LYS A 285 -13.012 -6.344 12.110 1.00 0.49 H new ATOM 0 HG3 LYS A 285 -13.292 -5.253 10.767 1.00 0.49 H new ATOM 0 HD2 LYS A 285 -12.071 -6.649 9.240 1.00 0.63 H new ATOM 0 HD3 LYS A 285 -11.380 -7.599 10.541 1.00 0.63 H new ATOM 0 HE2 LYS A 285 -13.170 -8.874 9.500 1.00 0.83 H new ATOM 0 HE3 LYS A 285 -13.652 -8.442 11.129 1.00 0.83 H new ATOM 0 HZ1 LYS A 285 -15.435 -8.096 9.530 1.00 1.01 H new ATOM 0 HZ2 LYS A 285 -14.974 -6.626 10.245 1.00 1.01 H new ATOM 0 HZ3 LYS A 285 -14.479 -6.993 8.663 1.00 1.01 H new ATOM 588 N GLY A 286 -12.174 -2.955 9.014 1.00 0.33 N ATOM 589 CA GLY A 286 -13.003 -1.812 8.687 1.00 0.35 C ATOM 590 C GLY A 286 -12.441 -1.042 7.512 1.00 0.30 C ATOM 591 O GLY A 286 -13.150 -0.278 6.855 1.00 0.36 O ATOM 0 H GLY A 286 -12.063 -3.631 8.258 1.00 0.33 H new ATOM 0 HA2 GLY A 286 -14.013 -2.148 8.454 1.00 0.35 H new ATOM 0 HA3 GLY A 286 -13.077 -1.154 9.553 1.00 0.35 H new ATOM 595 N GLY A 287 -11.155 -1.252 7.248 1.00 0.26 N ATOM 596 CA GLY A 287 -10.503 -0.587 6.140 1.00 0.24 C ATOM 597 C GLY A 287 -10.875 -1.202 4.808 1.00 0.22 C ATOM 598 O GLY A 287 -11.505 -2.263 4.757 1.00 0.24 O ATOM 0 H GLY A 287 -10.552 -1.875 7.786 1.00 0.26 H new ATOM 0 HA2 GLY A 287 -10.775 0.468 6.140 1.00 0.24 H new ATOM 0 HA3 GLY A 287 -9.422 -0.637 6.273 1.00 0.24 H new ATOM 602 N ALA A 288 -10.482 -0.544 3.727 1.00 0.21 N ATOM 603 CA ALA A 288 -10.782 -1.021 2.388 1.00 0.22 C ATOM 604 C ALA A 288 -10.109 -2.363 2.112 1.00 0.22 C ATOM 605 O ALA A 288 -10.687 -3.235 1.467 1.00 0.25 O ATOM 606 CB ALA A 288 -10.358 0.012 1.358 1.00 0.24 C ATOM 0 H ALA A 288 -9.952 0.327 3.754 1.00 0.21 H new ATOM 0 HA ALA A 288 -11.859 -1.171 2.315 1.00 0.22 H new ATOM 0 HB1 ALA A 288 -10.587 -0.356 0.358 1.00 0.24 H new ATOM 0 HB2 ALA A 288 -10.896 0.944 1.534 1.00 0.24 H new ATOM 0 HB3 ALA A 288 -9.286 0.191 1.442 1.00 0.24 H new ATOM 612 N VAL A 289 -8.901 -2.527 2.630 1.00 0.20 N ATOM 613 CA VAL A 289 -8.142 -3.759 2.437 1.00 0.21 C ATOM 614 C VAL A 289 -8.779 -4.927 3.191 1.00 0.23 C ATOM 615 O VAL A 289 -8.791 -6.061 2.707 1.00 0.26 O ATOM 616 CB VAL A 289 -6.680 -3.587 2.899 1.00 0.20 C ATOM 617 CG1 VAL A 289 -5.876 -4.851 2.648 1.00 0.23 C ATOM 618 CG2 VAL A 289 -6.036 -2.396 2.205 1.00 0.20 C ATOM 0 H VAL A 289 -8.422 -1.821 3.189 1.00 0.20 H new ATOM 0 HA VAL A 289 -8.155 -3.980 1.370 1.00 0.21 H new ATOM 0 HB VAL A 289 -6.686 -3.399 3.973 1.00 0.20 H new ATOM 0 HG11 VAL A 289 -4.850 -4.702 2.983 1.00 0.23 H new ATOM 0 HG12 VAL A 289 -6.320 -5.680 3.198 1.00 0.23 H new ATOM 0 HG13 VAL A 289 -5.880 -5.079 1.582 1.00 0.23 H new ATOM 0 HG21 VAL A 289 -5.005 -2.291 2.544 1.00 0.20 H new ATOM 0 HG22 VAL A 289 -6.049 -2.553 1.126 1.00 0.20 H new ATOM 0 HG23 VAL A 289 -6.591 -1.490 2.447 1.00 0.20 H new ATOM 628 N ALA A 290 -9.330 -4.635 4.363 1.00 0.23 N ATOM 629 CA ALA A 290 -9.960 -5.655 5.196 1.00 0.27 C ATOM 630 C ALA A 290 -11.205 -6.238 4.530 1.00 0.29 C ATOM 631 O ALA A 290 -11.624 -7.353 4.843 1.00 0.37 O ATOM 632 CB ALA A 290 -10.317 -5.077 6.557 1.00 0.29 C ATOM 0 H ALA A 290 -9.354 -3.696 4.760 1.00 0.23 H new ATOM 0 HA ALA A 290 -9.242 -6.465 5.326 1.00 0.27 H new ATOM 0 HB1 ALA A 290 -10.786 -5.848 7.168 1.00 0.29 H new ATOM 0 HB2 ALA A 290 -9.412 -4.723 7.051 1.00 0.29 H new ATOM 0 HB3 ALA A 290 -11.009 -4.245 6.429 1.00 0.29 H new ATOM 638 N ALA A 291 -11.794 -5.482 3.614 1.00 0.29 N ATOM 639 CA ALA A 291 -12.991 -5.930 2.917 1.00 0.32 C ATOM 640 C ALA A 291 -12.652 -6.897 1.788 1.00 0.32 C ATOM 641 O ALA A 291 -13.506 -7.659 1.336 1.00 0.41 O ATOM 642 CB ALA A 291 -13.762 -4.737 2.380 1.00 0.38 C ATOM 0 H ALA A 291 -11.463 -4.558 3.337 1.00 0.29 H new ATOM 0 HA ALA A 291 -13.616 -6.464 3.633 1.00 0.32 H new ATOM 0 HB1 ALA A 291 -14.655 -5.085 1.861 1.00 0.38 H new ATOM 0 HB2 ALA A 291 -14.052 -4.089 3.207 1.00 0.38 H new ATOM 0 HB3 ALA A 291 -13.133 -4.180 1.686 1.00 0.38 H new ATOM 648 N ASP A 292 -11.407 -6.872 1.334 1.00 0.31 N ATOM 649 CA ASP A 292 -10.980 -7.759 0.259 1.00 0.32 C ATOM 650 C ASP A 292 -10.540 -9.101 0.830 1.00 0.30 C ATOM 651 O ASP A 292 -11.242 -10.104 0.696 1.00 0.38 O ATOM 652 CB ASP A 292 -9.847 -7.135 -0.552 1.00 0.37 C ATOM 653 CG ASP A 292 -9.637 -7.852 -1.869 1.00 0.43 C ATOM 654 OD1 ASP A 292 -8.886 -8.846 -1.895 1.00 0.45 O ATOM 655 OD2 ASP A 292 -10.239 -7.432 -2.883 1.00 0.55 O ATOM 0 H ASP A 292 -10.679 -6.252 1.689 1.00 0.31 H new ATOM 0 HA ASP A 292 -11.828 -7.916 -0.408 1.00 0.32 H new ATOM 0 HB2 ASP A 292 -10.071 -6.085 -0.741 1.00 0.37 H new ATOM 0 HB3 ASP A 292 -8.925 -7.164 0.029 1.00 0.37 H new ATOM 660 N GLY A 293 -9.380 -9.120 1.476 1.00 0.29 N ATOM 661 CA GLY A 293 -8.894 -10.349 2.077 1.00 0.33 C ATOM 662 C GLY A 293 -7.712 -10.975 1.353 1.00 0.33 C ATOM 663 O GLY A 293 -7.017 -11.815 1.926 1.00 0.39 O ATOM 0 H GLY A 293 -8.770 -8.311 1.594 1.00 0.29 H new ATOM 0 HA2 GLY A 293 -8.607 -10.146 3.109 1.00 0.33 H new ATOM 0 HA3 GLY A 293 -9.710 -11.071 2.109 1.00 0.33 H new ATOM 667 N ARG A 294 -7.474 -10.588 0.102 1.00 0.31 N ATOM 668 CA ARG A 294 -6.359 -11.154 -0.661 1.00 0.32 C ATOM 669 C ARG A 294 -5.020 -10.615 -0.167 1.00 0.30 C ATOM 670 O ARG A 294 -3.990 -11.289 -0.267 1.00 0.37 O ATOM 671 CB ARG A 294 -6.536 -10.883 -2.155 1.00 0.35 C ATOM 672 CG ARG A 294 -7.528 -11.824 -2.819 1.00 0.41 C ATOM 673 CD ARG A 294 -7.865 -11.383 -4.232 1.00 0.44 C ATOM 674 NE ARG A 294 -8.630 -10.142 -4.248 1.00 0.43 N ATOM 675 CZ ARG A 294 -9.207 -9.639 -5.336 1.00 0.54 C ATOM 676 NH1 ARG A 294 -9.114 -10.270 -6.499 1.00 0.68 N ATOM 677 NH2 ARG A 294 -9.879 -8.501 -5.260 1.00 0.58 N ATOM 0 H ARG A 294 -8.028 -9.895 -0.401 1.00 0.31 H new ATOM 0 HA ARG A 294 -6.360 -12.233 -0.505 1.00 0.32 H new ATOM 0 HB2 ARG A 294 -6.870 -9.855 -2.294 1.00 0.35 H new ATOM 0 HB3 ARG A 294 -5.570 -10.974 -2.652 1.00 0.35 H new ATOM 0 HG2 ARG A 294 -7.113 -12.832 -2.842 1.00 0.41 H new ATOM 0 HG3 ARG A 294 -8.441 -11.868 -2.225 1.00 0.41 H new ATOM 0 HD2 ARG A 294 -6.944 -11.249 -4.799 1.00 0.44 H new ATOM 0 HD3 ARG A 294 -8.435 -12.167 -4.730 1.00 0.44 H new ATOM 0 HE ARG A 294 -8.729 -9.629 -3.372 1.00 0.43 H new ATOM 0 HH11 ARG A 294 -8.597 -11.147 -6.563 1.00 0.68 H new ATOM 0 HH12 ARG A 294 -9.559 -9.878 -7.329 1.00 0.68 H new ATOM 0 HH21 ARG A 294 -9.954 -8.011 -4.368 1.00 0.58 H new ATOM 0 HH22 ARG A 294 -10.322 -8.114 -6.093 1.00 0.58 H new ATOM 691 N ILE A 295 -5.038 -9.401 0.364 1.00 0.26 N ATOM 692 CA ILE A 295 -3.830 -8.789 0.893 1.00 0.25 C ATOM 693 C ILE A 295 -3.668 -9.187 2.354 1.00 0.25 C ATOM 694 O ILE A 295 -4.655 -9.271 3.091 1.00 0.29 O ATOM 695 CB ILE A 295 -3.862 -7.249 0.775 1.00 0.25 C ATOM 696 CG1 ILE A 295 -4.157 -6.837 -0.669 1.00 0.27 C ATOM 697 CG2 ILE A 295 -2.534 -6.655 1.231 1.00 0.27 C ATOM 698 CD1 ILE A 295 -4.263 -5.340 -0.865 1.00 0.37 C ATOM 0 H ILE A 295 -5.874 -8.822 0.439 1.00 0.26 H new ATOM 0 HA ILE A 295 -2.985 -9.146 0.304 1.00 0.25 H new ATOM 0 HB ILE A 295 -4.654 -6.866 1.419 1.00 0.25 H new ATOM 0 HG12 ILE A 295 -3.370 -7.224 -1.316 1.00 0.27 H new ATOM 0 HG13 ILE A 295 -5.090 -7.303 -0.987 1.00 0.27 H new ATOM 0 HG21 ILE A 295 -2.571 -5.569 1.142 1.00 0.27 H new ATOM 0 HG22 ILE A 295 -2.351 -6.928 2.270 1.00 0.27 H new ATOM 0 HG23 ILE A 295 -1.729 -7.042 0.607 1.00 0.27 H new ATOM 0 HD11 ILE A 295 -4.473 -5.124 -1.913 1.00 0.37 H new ATOM 0 HD12 ILE A 295 -5.069 -4.948 -0.245 1.00 0.37 H new ATOM 0 HD13 ILE A 295 -3.323 -4.868 -0.579 1.00 0.37 H new ATOM 710 N GLU A 296 -2.440 -9.455 2.761 1.00 0.24 N ATOM 711 CA GLU A 296 -2.159 -9.861 4.128 1.00 0.26 C ATOM 712 C GLU A 296 -0.773 -9.374 4.550 1.00 0.24 C ATOM 713 O GLU A 296 0.004 -8.912 3.712 1.00 0.22 O ATOM 714 CB GLU A 296 -2.232 -11.386 4.219 1.00 0.31 C ATOM 715 CG GLU A 296 -1.109 -12.080 3.471 1.00 0.36 C ATOM 716 CD GLU A 296 -1.306 -13.571 3.374 1.00 0.49 C ATOM 717 OE1 GLU A 296 -1.129 -14.263 4.398 1.00 0.69 O ATOM 718 OE2 GLU A 296 -1.631 -14.059 2.271 1.00 0.56 O ATOM 0 H GLU A 296 -1.617 -9.399 2.161 1.00 0.24 H new ATOM 0 HA GLU A 296 -2.896 -9.419 4.798 1.00 0.26 H new ATOM 0 HB2 GLU A 296 -2.201 -11.684 5.267 1.00 0.31 H new ATOM 0 HB3 GLU A 296 -3.189 -11.723 3.820 1.00 0.31 H new ATOM 0 HG2 GLU A 296 -1.035 -11.662 2.467 1.00 0.36 H new ATOM 0 HG3 GLU A 296 -0.163 -11.875 3.973 1.00 0.36 H new ATOM 725 N PRO A 297 -0.452 -9.439 5.856 1.00 0.26 N ATOM 726 CA PRO A 297 0.860 -9.034 6.357 1.00 0.27 C ATOM 727 C PRO A 297 1.977 -9.781 5.635 1.00 0.27 C ATOM 728 O PRO A 297 1.893 -10.998 5.431 1.00 0.41 O ATOM 729 CB PRO A 297 0.815 -9.420 7.838 1.00 0.32 C ATOM 730 CG PRO A 297 -0.628 -9.429 8.188 1.00 0.34 C ATOM 731 CD PRO A 297 -1.345 -9.879 6.949 1.00 0.32 C ATOM 0 HA PRO A 297 1.063 -7.975 6.200 1.00 0.27 H new ATOM 0 HB2 PRO A 297 1.268 -10.397 8.005 1.00 0.32 H new ATOM 0 HB3 PRO A 297 1.365 -8.705 8.449 1.00 0.32 H new ATOM 0 HG2 PRO A 297 -0.824 -10.104 9.021 1.00 0.34 H new ATOM 0 HG3 PRO A 297 -0.962 -8.438 8.495 1.00 0.34 H new ATOM 0 HD2 PRO A 297 -1.490 -10.959 6.939 1.00 0.32 H new ATOM 0 HD3 PRO A 297 -2.332 -9.424 6.869 1.00 0.32 H new ATOM 739 N GLY A 298 2.994 -9.048 5.216 1.00 0.27 N ATOM 740 CA GLY A 298 4.106 -9.656 4.516 1.00 0.28 C ATOM 741 C GLY A 298 4.100 -9.325 3.037 1.00 0.25 C ATOM 742 O GLY A 298 5.134 -9.423 2.371 1.00 0.29 O ATOM 0 H GLY A 298 3.071 -8.039 5.348 1.00 0.27 H new ATOM 0 HA2 GLY A 298 5.042 -9.316 4.959 1.00 0.28 H new ATOM 0 HA3 GLY A 298 4.067 -10.738 4.645 1.00 0.28 H new ATOM 746 N ASP A 299 2.937 -8.937 2.521 1.00 0.22 N ATOM 747 CA ASP A 299 2.802 -8.583 1.110 1.00 0.22 C ATOM 748 C ASP A 299 3.570 -7.300 0.821 1.00 0.20 C ATOM 749 O ASP A 299 3.532 -6.359 1.614 1.00 0.21 O ATOM 750 CB ASP A 299 1.327 -8.398 0.722 1.00 0.24 C ATOM 751 CG ASP A 299 0.544 -9.703 0.664 1.00 0.27 C ATOM 752 OD1 ASP A 299 1.163 -10.785 0.634 1.00 0.34 O ATOM 753 OD2 ASP A 299 -0.705 -9.652 0.654 1.00 0.28 O ATOM 0 H ASP A 299 2.074 -8.860 3.059 1.00 0.22 H new ATOM 0 HA ASP A 299 3.214 -9.399 0.517 1.00 0.22 H new ATOM 0 HB2 ASP A 299 0.852 -7.730 1.441 1.00 0.24 H new ATOM 0 HB3 ASP A 299 1.274 -7.909 -0.251 1.00 0.24 H new ATOM 758 N MET A 300 4.273 -7.262 -0.301 1.00 0.21 N ATOM 759 CA MET A 300 5.046 -6.078 -0.666 1.00 0.21 C ATOM 760 C MET A 300 4.266 -5.204 -1.642 1.00 0.19 C ATOM 761 O MET A 300 3.684 -5.702 -2.605 1.00 0.21 O ATOM 762 CB MET A 300 6.392 -6.475 -1.282 1.00 0.27 C ATOM 763 CG MET A 300 7.341 -5.300 -1.472 1.00 0.32 C ATOM 764 SD MET A 300 9.033 -5.819 -1.826 1.00 0.50 S ATOM 765 CE MET A 300 8.840 -6.507 -3.469 1.00 1.26 C ATOM 0 H MET A 300 4.326 -8.029 -0.971 1.00 0.21 H new ATOM 0 HA MET A 300 5.233 -5.508 0.244 1.00 0.21 H new ATOM 0 HB2 MET A 300 6.870 -7.219 -0.644 1.00 0.27 H new ATOM 0 HB3 MET A 300 6.215 -6.949 -2.247 1.00 0.27 H new ATOM 0 HG2 MET A 300 6.979 -4.675 -2.288 1.00 0.32 H new ATOM 0 HG3 MET A 300 7.335 -4.685 -0.572 1.00 0.32 H new ATOM 0 HE1 MET A 300 9.246 -7.518 -3.490 1.00 1.26 H new ATOM 0 HE2 MET A 300 7.782 -6.536 -3.729 1.00 1.26 H new ATOM 0 HE3 MET A 300 9.374 -5.886 -4.188 1.00 1.26 H new ATOM 775 N LEU A 301 4.253 -3.903 -1.385 1.00 0.19 N ATOM 776 CA LEU A 301 3.553 -2.960 -2.246 1.00 0.19 C ATOM 777 C LEU A 301 4.454 -2.538 -3.394 1.00 0.20 C ATOM 778 O LEU A 301 5.569 -2.067 -3.177 1.00 0.24 O ATOM 779 CB LEU A 301 3.120 -1.727 -1.450 1.00 0.23 C ATOM 780 CG LEU A 301 1.950 -1.935 -0.487 1.00 0.33 C ATOM 781 CD1 LEU A 301 1.970 -0.876 0.608 1.00 0.48 C ATOM 782 CD2 LEU A 301 0.631 -1.890 -1.243 1.00 0.47 C ATOM 0 H LEU A 301 4.720 -3.476 -0.585 1.00 0.19 H new ATOM 0 HA LEU A 301 2.665 -3.450 -2.646 1.00 0.19 H new ATOM 0 HB2 LEU A 301 3.976 -1.367 -0.880 1.00 0.23 H new ATOM 0 HB3 LEU A 301 2.851 -0.939 -2.154 1.00 0.23 H new ATOM 0 HG LEU A 301 2.052 -2.916 -0.022 1.00 0.33 H new ATOM 0 HD11 LEU A 301 1.131 -1.037 1.285 1.00 0.48 H new ATOM 0 HD12 LEU A 301 2.905 -0.946 1.165 1.00 0.48 H new ATOM 0 HD13 LEU A 301 1.888 0.114 0.159 1.00 0.48 H new ATOM 0 HD21 LEU A 301 -0.193 -2.039 -0.546 1.00 0.47 H new ATOM 0 HD22 LEU A 301 0.523 -0.921 -1.730 1.00 0.47 H new ATOM 0 HD23 LEU A 301 0.616 -2.678 -1.996 1.00 0.47 H new ATOM 794 N LEU A 302 3.975 -2.718 -4.614 1.00 0.20 N ATOM 795 CA LEU A 302 4.748 -2.350 -5.790 1.00 0.22 C ATOM 796 C LEU A 302 4.194 -1.083 -6.419 1.00 0.22 C ATOM 797 O LEU A 302 4.800 -0.013 -6.334 1.00 0.29 O ATOM 798 CB LEU A 302 4.731 -3.481 -6.823 1.00 0.27 C ATOM 799 CG LEU A 302 5.335 -4.807 -6.359 1.00 0.37 C ATOM 800 CD1 LEU A 302 5.155 -5.870 -7.430 1.00 0.53 C ATOM 801 CD2 LEU A 302 6.808 -4.633 -6.018 1.00 0.46 C ATOM 0 H LEU A 302 3.058 -3.115 -4.816 1.00 0.20 H new ATOM 0 HA LEU A 302 5.776 -2.172 -5.473 1.00 0.22 H new ATOM 0 HB2 LEU A 302 3.699 -3.658 -7.125 1.00 0.27 H new ATOM 0 HB3 LEU A 302 5.270 -3.147 -7.710 1.00 0.27 H new ATOM 0 HG LEU A 302 4.813 -5.131 -5.458 1.00 0.37 H new ATOM 0 HD11 LEU A 302 5.589 -6.809 -7.087 1.00 0.53 H new ATOM 0 HD12 LEU A 302 4.092 -6.012 -7.627 1.00 0.53 H new ATOM 0 HD13 LEU A 302 5.654 -5.552 -8.345 1.00 0.53 H new ATOM 0 HD21 LEU A 302 7.221 -5.587 -5.690 1.00 0.46 H new ATOM 0 HD22 LEU A 302 7.347 -4.289 -6.900 1.00 0.46 H new ATOM 0 HD23 LEU A 302 6.912 -3.899 -5.219 1.00 0.46 H new ATOM 813 N GLN A 303 3.028 -1.206 -7.031 1.00 0.21 N ATOM 814 CA GLN A 303 2.400 -0.083 -7.698 1.00 0.22 C ATOM 815 C GLN A 303 1.061 0.256 -7.060 1.00 0.21 C ATOM 816 O GLN A 303 0.271 -0.633 -6.726 1.00 0.25 O ATOM 817 CB GLN A 303 2.211 -0.409 -9.181 1.00 0.27 C ATOM 818 CG GLN A 303 1.502 0.681 -9.964 1.00 0.32 C ATOM 819 CD GLN A 303 1.185 0.267 -11.386 1.00 0.51 C ATOM 820 OE1 GLN A 303 0.157 0.652 -11.939 1.00 0.68 O ATOM 821 NE2 GLN A 303 2.068 -0.516 -11.991 1.00 0.73 N ATOM 0 H GLN A 303 2.498 -2.076 -7.078 1.00 0.21 H new ATOM 0 HA GLN A 303 3.049 0.787 -7.596 1.00 0.22 H new ATOM 0 HB2 GLN A 303 3.187 -0.589 -9.631 1.00 0.27 H new ATOM 0 HB3 GLN A 303 1.643 -1.335 -9.270 1.00 0.27 H new ATOM 0 HG2 GLN A 303 0.577 0.947 -9.453 1.00 0.32 H new ATOM 0 HG3 GLN A 303 2.125 1.575 -9.981 1.00 0.32 H new ATOM 0 HE21 GLN A 303 2.909 -0.813 -11.496 1.00 0.73 H new ATOM 0 HE22 GLN A 303 1.906 -0.821 -12.951 1.00 0.73 H new ATOM 830 N VAL A 304 0.823 1.544 -6.881 1.00 0.20 N ATOM 831 CA VAL A 304 -0.418 2.020 -6.296 1.00 0.21 C ATOM 832 C VAL A 304 -1.042 3.079 -7.194 1.00 0.22 C ATOM 833 O VAL A 304 -0.695 4.253 -7.107 1.00 0.26 O ATOM 834 CB VAL A 304 -0.199 2.612 -4.889 1.00 0.24 C ATOM 835 CG1 VAL A 304 -1.518 3.079 -4.292 1.00 0.29 C ATOM 836 CG2 VAL A 304 0.470 1.594 -3.980 1.00 0.27 C ATOM 0 H VAL A 304 1.478 2.283 -7.135 1.00 0.20 H new ATOM 0 HA VAL A 304 -1.086 1.164 -6.204 1.00 0.21 H new ATOM 0 HB VAL A 304 0.459 3.476 -4.979 1.00 0.24 H new ATOM 0 HG11 VAL A 304 -1.342 3.493 -3.299 1.00 0.29 H new ATOM 0 HG12 VAL A 304 -1.956 3.845 -4.932 1.00 0.29 H new ATOM 0 HG13 VAL A 304 -2.202 2.234 -4.216 1.00 0.29 H new ATOM 0 HG21 VAL A 304 0.616 2.030 -2.992 1.00 0.27 H new ATOM 0 HG22 VAL A 304 -0.162 0.710 -3.897 1.00 0.27 H new ATOM 0 HG23 VAL A 304 1.436 1.312 -4.399 1.00 0.27 H new ATOM 846 N ASN A 305 -1.955 2.651 -8.059 1.00 0.27 N ATOM 847 CA ASN A 305 -2.632 3.552 -8.993 1.00 0.33 C ATOM 848 C ASN A 305 -1.634 4.260 -9.907 1.00 0.31 C ATOM 849 O ASN A 305 -1.318 5.438 -9.705 1.00 0.34 O ATOM 850 CB ASN A 305 -3.488 4.588 -8.249 1.00 0.39 C ATOM 851 CG ASN A 305 -4.934 4.149 -8.097 1.00 0.78 C ATOM 852 OD1 ASN A 305 -5.235 2.959 -8.095 1.00 1.71 O ATOM 853 ND2 ASN A 305 -5.839 5.108 -7.958 1.00 1.14 N ATOM 0 H ASN A 305 -2.247 1.677 -8.135 1.00 0.27 H new ATOM 0 HA ASN A 305 -3.289 2.938 -9.609 1.00 0.33 H new ATOM 0 HB2 ASN A 305 -3.060 4.766 -7.262 1.00 0.39 H new ATOM 0 HB3 ASN A 305 -3.454 5.536 -8.787 1.00 0.39 H new ATOM 0 HD21 ASN A 305 -6.824 4.867 -7.844 1.00 1.14 H new ATOM 0 HD22 ASN A 305 -5.551 6.086 -7.965 1.00 1.14 H new ATOM 860 N ASP A 306 -1.120 3.512 -10.887 1.00 0.32 N ATOM 861 CA ASP A 306 -0.172 4.021 -11.889 1.00 0.35 C ATOM 862 C ASP A 306 1.247 4.174 -11.349 1.00 0.31 C ATOM 863 O ASP A 306 2.177 3.563 -11.877 1.00 0.35 O ATOM 864 CB ASP A 306 -0.641 5.350 -12.489 1.00 0.42 C ATOM 865 CG ASP A 306 -1.604 5.154 -13.636 1.00 0.66 C ATOM 866 OD1 ASP A 306 -1.146 4.844 -14.754 1.00 1.06 O ATOM 867 OD2 ASP A 306 -2.826 5.305 -13.426 1.00 1.11 O ATOM 0 H ASP A 306 -1.351 2.526 -11.011 1.00 0.32 H new ATOM 0 HA ASP A 306 -0.146 3.264 -12.673 1.00 0.35 H new ATOM 0 HB2 ASP A 306 -1.120 5.947 -11.713 1.00 0.42 H new ATOM 0 HB3 ASP A 306 0.224 5.914 -12.837 1.00 0.42 H new ATOM 872 N VAL A 307 1.420 4.977 -10.307 1.00 0.30 N ATOM 873 CA VAL A 307 2.750 5.210 -9.748 1.00 0.29 C ATOM 874 C VAL A 307 3.352 3.935 -9.159 1.00 0.25 C ATOM 875 O VAL A 307 2.773 3.301 -8.273 1.00 0.28 O ATOM 876 CB VAL A 307 2.758 6.335 -8.685 1.00 0.34 C ATOM 877 CG1 VAL A 307 2.764 7.698 -9.355 1.00 0.71 C ATOM 878 CG2 VAL A 307 1.572 6.214 -7.746 1.00 0.53 C ATOM 0 H VAL A 307 0.666 5.475 -9.834 1.00 0.30 H new ATOM 0 HA VAL A 307 3.370 5.534 -10.584 1.00 0.29 H new ATOM 0 HB VAL A 307 3.667 6.229 -8.093 1.00 0.34 H new ATOM 0 HG11 VAL A 307 2.770 8.478 -8.593 1.00 0.71 H new ATOM 0 HG12 VAL A 307 3.653 7.793 -9.978 1.00 0.71 H new ATOM 0 HG13 VAL A 307 1.874 7.803 -9.975 1.00 0.71 H new ATOM 0 HG21 VAL A 307 1.606 7.018 -7.011 1.00 0.53 H new ATOM 0 HG22 VAL A 307 0.647 6.284 -8.318 1.00 0.53 H new ATOM 0 HG23 VAL A 307 1.610 5.253 -7.234 1.00 0.53 H new ATOM 888 N ASN A 308 4.507 3.559 -9.685 1.00 0.25 N ATOM 889 CA ASN A 308 5.221 2.375 -9.231 1.00 0.25 C ATOM 890 C ASN A 308 6.357 2.793 -8.307 1.00 0.24 C ATOM 891 O ASN A 308 7.160 3.661 -8.658 1.00 0.33 O ATOM 892 CB ASN A 308 5.768 1.599 -10.435 1.00 0.33 C ATOM 893 CG ASN A 308 6.102 0.162 -10.103 1.00 0.46 C ATOM 894 OD1 ASN A 308 5.578 -0.404 -9.151 1.00 0.58 O ATOM 895 ND2 ASN A 308 6.965 -0.441 -10.900 1.00 0.74 N ATOM 0 H ASN A 308 4.975 4.064 -10.437 1.00 0.25 H new ATOM 0 HA ASN A 308 4.538 1.725 -8.684 1.00 0.25 H new ATOM 0 HB2 ASN A 308 5.033 1.620 -11.239 1.00 0.33 H new ATOM 0 HB3 ASN A 308 6.662 2.098 -10.808 1.00 0.33 H new ATOM 0 HD21 ASN A 308 7.218 -1.415 -10.734 1.00 0.74 H new ATOM 0 HD22 ASN A 308 7.378 0.067 -11.682 1.00 0.74 H new ATOM 902 N PHE A 309 6.430 2.184 -7.132 1.00 0.22 N ATOM 903 CA PHE A 309 7.461 2.530 -6.159 1.00 0.24 C ATOM 904 C PHE A 309 8.584 1.496 -6.143 1.00 0.26 C ATOM 905 O PHE A 309 9.348 1.412 -5.182 1.00 0.30 O ATOM 906 CB PHE A 309 6.848 2.648 -4.761 1.00 0.28 C ATOM 907 CG PHE A 309 5.675 3.587 -4.687 1.00 0.26 C ATOM 908 CD1 PHE A 309 5.844 4.942 -4.909 1.00 0.29 C ATOM 909 CD2 PHE A 309 4.407 3.113 -4.395 1.00 0.31 C ATOM 910 CE1 PHE A 309 4.772 5.810 -4.841 1.00 0.33 C ATOM 911 CE2 PHE A 309 3.330 3.977 -4.324 1.00 0.33 C ATOM 912 CZ PHE A 309 3.512 5.326 -4.550 1.00 0.33 C ATOM 0 H PHE A 309 5.790 1.450 -6.828 1.00 0.22 H new ATOM 0 HA PHE A 309 7.886 3.489 -6.453 1.00 0.24 H new ATOM 0 HB2 PHE A 309 6.531 1.659 -4.429 1.00 0.28 H new ATOM 0 HB3 PHE A 309 7.616 2.986 -4.066 1.00 0.28 H new ATOM 0 HD1 PHE A 309 6.827 5.326 -5.138 1.00 0.29 H new ATOM 0 HD2 PHE A 309 4.258 2.058 -4.221 1.00 0.31 H new ATOM 0 HE1 PHE A 309 4.919 6.866 -5.015 1.00 0.33 H new ATOM 0 HE2 PHE A 309 2.346 3.596 -4.092 1.00 0.33 H new ATOM 0 HZ PHE A 309 2.671 6.002 -4.499 1.00 0.33 H new ATOM 922 N GLU A 310 8.695 0.732 -7.221 1.00 0.29 N ATOM 923 CA GLU A 310 9.718 -0.306 -7.326 1.00 0.33 C ATOM 924 C GLU A 310 11.131 0.272 -7.303 1.00 0.35 C ATOM 925 O GLU A 310 12.076 -0.403 -6.894 1.00 0.47 O ATOM 926 CB GLU A 310 9.523 -1.113 -8.607 1.00 0.40 C ATOM 927 CG GLU A 310 8.597 -2.305 -8.452 1.00 0.54 C ATOM 928 CD GLU A 310 8.589 -3.188 -9.682 1.00 0.67 C ATOM 929 OE1 GLU A 310 9.478 -4.060 -9.801 1.00 1.21 O ATOM 930 OE2 GLU A 310 7.700 -3.016 -10.538 1.00 1.04 O ATOM 0 H GLU A 310 8.089 0.810 -8.038 1.00 0.29 H new ATOM 0 HA GLU A 310 9.605 -0.954 -6.457 1.00 0.33 H new ATOM 0 HB2 GLU A 310 9.126 -0.456 -9.381 1.00 0.40 H new ATOM 0 HB3 GLU A 310 10.495 -1.464 -8.954 1.00 0.40 H new ATOM 0 HG2 GLU A 310 8.906 -2.892 -7.587 1.00 0.54 H new ATOM 0 HG3 GLU A 310 7.585 -1.953 -8.253 1.00 0.54 H new ATOM 937 N ASN A 311 11.279 1.512 -7.746 1.00 0.35 N ATOM 938 CA ASN A 311 12.588 2.152 -7.778 1.00 0.41 C ATOM 939 C ASN A 311 12.572 3.480 -7.034 1.00 0.37 C ATOM 940 O ASN A 311 13.221 4.440 -7.450 1.00 0.48 O ATOM 941 CB ASN A 311 13.040 2.381 -9.222 1.00 0.54 C ATOM 942 CG ASN A 311 13.294 1.090 -9.968 1.00 0.89 C ATOM 943 OD1 ASN A 311 14.369 0.500 -9.865 1.00 1.27 O ATOM 944 ND2 ASN A 311 12.313 0.651 -10.739 1.00 1.32 N ATOM 0 H ASN A 311 10.514 2.094 -8.087 1.00 0.35 H new ATOM 0 HA ASN A 311 13.291 1.484 -7.282 1.00 0.41 H new ATOM 0 HB2 ASN A 311 12.279 2.956 -9.749 1.00 0.54 H new ATOM 0 HB3 ASN A 311 13.950 2.981 -9.222 1.00 0.54 H new ATOM 0 HD21 ASN A 311 12.432 -0.207 -11.277 1.00 1.32 H new ATOM 0 HD22 ASN A 311 11.437 1.171 -10.796 1.00 1.32 H new ATOM 951 N MET A 312 11.835 3.531 -5.934 1.00 0.30 N ATOM 952 CA MET A 312 11.740 4.747 -5.135 1.00 0.28 C ATOM 953 C MET A 312 12.116 4.461 -3.689 1.00 0.26 C ATOM 954 O MET A 312 12.254 3.304 -3.298 1.00 0.34 O ATOM 955 CB MET A 312 10.327 5.330 -5.217 1.00 0.28 C ATOM 956 CG MET A 312 9.996 5.920 -6.579 1.00 0.39 C ATOM 957 SD MET A 312 8.295 6.502 -6.700 1.00 0.37 S ATOM 958 CE MET A 312 8.255 7.717 -5.385 1.00 0.51 C ATOM 0 H MET A 312 11.294 2.745 -5.573 1.00 0.30 H new ATOM 0 HA MET A 312 12.439 5.481 -5.535 1.00 0.28 H new ATOM 0 HB2 MET A 312 9.605 4.548 -4.983 1.00 0.28 H new ATOM 0 HB3 MET A 312 10.216 6.104 -4.457 1.00 0.28 H new ATOM 0 HG2 MET A 312 10.673 6.749 -6.784 1.00 0.39 H new ATOM 0 HG3 MET A 312 10.172 5.167 -7.347 1.00 0.39 H new ATOM 0 HE1 MET A 312 7.393 8.370 -5.519 1.00 0.51 H new ATOM 0 HE2 MET A 312 8.180 7.210 -4.423 1.00 0.51 H new ATOM 0 HE3 MET A 312 9.168 8.312 -5.411 1.00 0.51 H new ATOM 968 N SER A 313 12.295 5.513 -2.901 1.00 0.26 N ATOM 969 CA SER A 313 12.662 5.361 -1.500 1.00 0.28 C ATOM 970 C SER A 313 11.463 4.913 -0.669 1.00 0.24 C ATOM 971 O SER A 313 10.313 5.124 -1.059 1.00 0.26 O ATOM 972 CB SER A 313 13.216 6.679 -0.952 1.00 0.36 C ATOM 973 OG SER A 313 12.196 7.661 -0.835 1.00 0.97 O ATOM 0 H SER A 313 12.192 6.480 -3.208 1.00 0.26 H new ATOM 0 HA SER A 313 13.434 4.594 -1.432 1.00 0.28 H new ATOM 0 HB2 SER A 313 13.671 6.507 0.023 1.00 0.36 H new ATOM 0 HB3 SER A 313 14.003 7.046 -1.610 1.00 0.36 H new ATOM 0 HG SER A 313 12.344 8.367 -1.499 1.00 0.97 H new ATOM 979 N ASN A 314 11.738 4.297 0.478 1.00 0.26 N ATOM 980 CA ASN A 314 10.677 3.831 1.369 1.00 0.27 C ATOM 981 C ASN A 314 9.854 5.018 1.857 1.00 0.25 C ATOM 982 O ASN A 314 8.644 4.917 2.051 1.00 0.33 O ATOM 983 CB ASN A 314 11.261 3.082 2.574 1.00 0.35 C ATOM 984 CG ASN A 314 12.024 1.827 2.187 1.00 0.37 C ATOM 985 OD1 ASN A 314 11.757 1.207 1.158 1.00 0.45 O ATOM 986 ND2 ASN A 314 12.980 1.439 3.019 1.00 0.48 N ATOM 0 H ASN A 314 12.683 4.109 0.812 1.00 0.26 H new ATOM 0 HA ASN A 314 10.039 3.145 0.811 1.00 0.27 H new ATOM 0 HB2 ASN A 314 11.927 3.750 3.121 1.00 0.35 H new ATOM 0 HB3 ASN A 314 10.452 2.813 3.253 1.00 0.35 H new ATOM 0 HD21 ASN A 314 13.524 0.600 2.816 1.00 0.48 H new ATOM 0 HD22 ASN A 314 13.172 1.979 3.863 1.00 0.48 H new ATOM 993 N ASP A 315 10.528 6.148 2.036 1.00 0.26 N ATOM 994 CA ASP A 315 9.878 7.368 2.495 1.00 0.28 C ATOM 995 C ASP A 315 8.954 7.934 1.424 1.00 0.23 C ATOM 996 O ASP A 315 7.766 8.148 1.670 1.00 0.24 O ATOM 997 CB ASP A 315 10.922 8.418 2.877 1.00 0.37 C ATOM 998 CG ASP A 315 11.242 8.411 4.355 1.00 0.83 C ATOM 999 OD1 ASP A 315 10.570 9.134 5.119 1.00 1.36 O ATOM 1000 OD2 ASP A 315 12.176 7.686 4.762 1.00 1.40 O ATOM 0 H ASP A 315 11.530 6.244 1.869 1.00 0.26 H new ATOM 0 HA ASP A 315 9.282 7.116 3.372 1.00 0.28 H new ATOM 0 HB2 ASP A 315 11.836 8.239 2.311 1.00 0.37 H new ATOM 0 HB3 ASP A 315 10.559 9.406 2.593 1.00 0.37 H new ATOM 1005 N ASP A 316 9.502 8.146 0.228 1.00 0.23 N ATOM 1006 CA ASP A 316 8.737 8.703 -0.886 1.00 0.24 C ATOM 1007 C ASP A 316 7.551 7.819 -1.230 1.00 0.19 C ATOM 1008 O ASP A 316 6.493 8.314 -1.617 1.00 0.20 O ATOM 1009 CB ASP A 316 9.621 8.890 -2.121 1.00 0.32 C ATOM 1010 CG ASP A 316 10.493 10.123 -2.025 1.00 0.50 C ATOM 1011 OD1 ASP A 316 9.965 11.201 -1.684 1.00 0.69 O ATOM 1012 OD2 ASP A 316 11.711 10.017 -2.282 1.00 0.88 O ATOM 0 H ASP A 316 10.476 7.940 0.006 1.00 0.23 H new ATOM 0 HA ASP A 316 8.366 9.678 -0.571 1.00 0.24 H new ATOM 0 HB2 ASP A 316 10.252 8.011 -2.249 1.00 0.32 H new ATOM 0 HB3 ASP A 316 8.991 8.962 -3.008 1.00 0.32 H new ATOM 1017 N ALA A 317 7.734 6.514 -1.074 1.00 0.17 N ATOM 1018 CA ALA A 317 6.679 5.554 -1.358 1.00 0.16 C ATOM 1019 C ALA A 317 5.434 5.846 -0.525 1.00 0.14 C ATOM 1020 O ALA A 317 4.335 5.966 -1.063 1.00 0.17 O ATOM 1021 CB ALA A 317 7.169 4.137 -1.107 1.00 0.20 C ATOM 0 H ALA A 317 8.607 6.097 -0.751 1.00 0.17 H new ATOM 0 HA ALA A 317 6.410 5.648 -2.410 1.00 0.16 H new ATOM 0 HB1 ALA A 317 6.367 3.431 -1.324 1.00 0.20 H new ATOM 0 HB2 ALA A 317 8.022 3.927 -1.752 1.00 0.20 H new ATOM 0 HB3 ALA A 317 7.469 4.035 -0.064 1.00 0.20 H new ATOM 1027 N VAL A 318 5.612 5.988 0.787 1.00 0.12 N ATOM 1028 CA VAL A 318 4.487 6.263 1.673 1.00 0.12 C ATOM 1029 C VAL A 318 4.024 7.710 1.525 1.00 0.11 C ATOM 1030 O VAL A 318 2.851 8.019 1.748 1.00 0.14 O ATOM 1031 CB VAL A 318 4.814 5.976 3.154 1.00 0.15 C ATOM 1032 CG1 VAL A 318 3.534 5.710 3.936 1.00 0.18 C ATOM 1033 CG2 VAL A 318 5.774 4.803 3.284 1.00 0.21 C ATOM 0 H VAL A 318 6.516 5.918 1.255 1.00 0.12 H new ATOM 0 HA VAL A 318 3.686 5.588 1.373 1.00 0.12 H new ATOM 0 HB VAL A 318 5.302 6.856 3.572 1.00 0.15 H new ATOM 0 HG11 VAL A 318 3.780 5.509 4.979 1.00 0.18 H new ATOM 0 HG12 VAL A 318 2.884 6.583 3.878 1.00 0.18 H new ATOM 0 HG13 VAL A 318 3.021 4.847 3.511 1.00 0.18 H new ATOM 0 HG21 VAL A 318 5.987 4.623 4.338 1.00 0.21 H new ATOM 0 HG22 VAL A 318 5.322 3.912 2.848 1.00 0.21 H new ATOM 0 HG23 VAL A 318 6.702 5.032 2.760 1.00 0.21 H new ATOM 1043 N ARG A 319 4.950 8.592 1.147 1.00 0.12 N ATOM 1044 CA ARG A 319 4.628 10.006 0.948 1.00 0.16 C ATOM 1045 C ARG A 319 3.535 10.145 -0.105 1.00 0.14 C ATOM 1046 O ARG A 319 2.509 10.785 0.125 1.00 0.22 O ATOM 1047 CB ARG A 319 5.869 10.803 0.523 1.00 0.21 C ATOM 1048 CG ARG A 319 6.837 11.100 1.662 1.00 0.35 C ATOM 1049 CD ARG A 319 8.052 11.892 1.184 1.00 0.40 C ATOM 1050 NE ARG A 319 9.081 11.999 2.221 1.00 0.50 N ATOM 1051 CZ ARG A 319 10.393 11.866 2.000 1.00 0.61 C ATOM 1052 NH1 ARG A 319 10.852 11.644 0.776 1.00 0.83 N ATOM 1053 NH2 ARG A 319 11.251 11.959 3.012 1.00 0.81 N ATOM 0 H ARG A 319 5.926 8.353 0.973 1.00 0.12 H new ATOM 0 HA ARG A 319 4.273 10.411 1.896 1.00 0.16 H new ATOM 0 HB2 ARG A 319 6.396 10.248 -0.252 1.00 0.21 H new ATOM 0 HB3 ARG A 319 5.548 11.745 0.078 1.00 0.21 H new ATOM 0 HG2 ARG A 319 6.321 11.662 2.440 1.00 0.35 H new ATOM 0 HG3 ARG A 319 7.168 10.163 2.111 1.00 0.35 H new ATOM 0 HD2 ARG A 319 8.475 11.410 0.302 1.00 0.40 H new ATOM 0 HD3 ARG A 319 7.737 12.891 0.881 1.00 0.40 H new ATOM 0 HE ARG A 319 8.776 12.188 3.176 1.00 0.50 H new ATOM 0 HH11 ARG A 319 10.202 11.573 -0.007 1.00 0.83 H new ATOM 0 HH12 ARG A 319 11.855 11.544 0.618 1.00 0.83 H new ATOM 0 HH21 ARG A 319 10.908 12.132 3.957 1.00 0.81 H new ATOM 0 HH22 ARG A 319 12.252 11.857 2.843 1.00 0.81 H new ATOM 1067 N VAL A 320 3.752 9.514 -1.254 1.00 0.10 N ATOM 1068 CA VAL A 320 2.786 9.558 -2.346 1.00 0.10 C ATOM 1069 C VAL A 320 1.577 8.684 -2.026 1.00 0.09 C ATOM 1070 O VAL A 320 0.445 9.023 -2.372 1.00 0.11 O ATOM 1071 CB VAL A 320 3.412 9.104 -3.686 1.00 0.14 C ATOM 1072 CG1 VAL A 320 2.411 9.241 -4.826 1.00 0.17 C ATOM 1073 CG2 VAL A 320 4.674 9.899 -3.986 1.00 0.17 C ATOM 0 H VAL A 320 4.589 8.966 -1.453 1.00 0.10 H new ATOM 0 HA VAL A 320 2.468 10.595 -2.453 1.00 0.10 H new ATOM 0 HB VAL A 320 3.682 8.052 -3.594 1.00 0.14 H new ATOM 0 HG11 VAL A 320 2.874 8.916 -5.758 1.00 0.17 H new ATOM 0 HG12 VAL A 320 1.538 8.622 -4.620 1.00 0.17 H new ATOM 0 HG13 VAL A 320 2.104 10.283 -4.918 1.00 0.17 H new ATOM 0 HG21 VAL A 320 5.099 9.564 -4.932 1.00 0.17 H new ATOM 0 HG22 VAL A 320 4.429 10.959 -4.053 1.00 0.17 H new ATOM 0 HG23 VAL A 320 5.400 9.744 -3.188 1.00 0.17 H new ATOM 1083 N LEU A 321 1.826 7.567 -1.345 1.00 0.08 N ATOM 1084 CA LEU A 321 0.766 6.636 -0.962 1.00 0.09 C ATOM 1085 C LEU A 321 -0.329 7.353 -0.184 1.00 0.09 C ATOM 1086 O LEU A 321 -1.511 7.252 -0.514 1.00 0.10 O ATOM 1087 CB LEU A 321 1.338 5.505 -0.104 1.00 0.11 C ATOM 1088 CG LEU A 321 0.356 4.384 0.244 1.00 0.20 C ATOM 1089 CD1 LEU A 321 -0.163 3.713 -1.013 1.00 0.38 C ATOM 1090 CD2 LEU A 321 1.017 3.364 1.156 1.00 0.29 C ATOM 0 H LEU A 321 2.759 7.283 -1.045 1.00 0.08 H new ATOM 0 HA LEU A 321 0.338 6.220 -1.874 1.00 0.09 H new ATOM 0 HB2 LEU A 321 2.189 5.070 -0.627 1.00 0.11 H new ATOM 0 HB3 LEU A 321 1.719 5.932 0.824 1.00 0.11 H new ATOM 0 HG LEU A 321 -0.491 4.824 0.770 1.00 0.20 H new ATOM 0 HD11 LEU A 321 -0.859 2.920 -0.741 1.00 0.38 H new ATOM 0 HD12 LEU A 321 -0.675 4.449 -1.633 1.00 0.38 H new ATOM 0 HD13 LEU A 321 0.672 3.288 -1.570 1.00 0.38 H new ATOM 0 HD21 LEU A 321 0.305 2.574 1.394 1.00 0.29 H new ATOM 0 HD22 LEU A 321 1.883 2.933 0.653 1.00 0.29 H new ATOM 0 HD23 LEU A 321 1.338 3.853 2.076 1.00 0.29 H new ATOM 1102 N ARG A 322 0.075 8.094 0.838 1.00 0.10 N ATOM 1103 CA ARG A 322 -0.864 8.822 1.675 1.00 0.12 C ATOM 1104 C ARG A 322 -1.647 9.852 0.867 1.00 0.13 C ATOM 1105 O ARG A 322 -2.822 10.093 1.141 1.00 0.21 O ATOM 1106 CB ARG A 322 -0.136 9.490 2.836 1.00 0.15 C ATOM 1107 CG ARG A 322 0.440 8.501 3.838 1.00 0.19 C ATOM 1108 CD ARG A 322 0.696 9.157 5.185 1.00 0.34 C ATOM 1109 NE ARG A 322 -0.514 9.769 5.738 1.00 0.49 N ATOM 1110 CZ ARG A 322 -0.691 11.086 5.883 1.00 1.05 C ATOM 1111 NH1 ARG A 322 0.269 11.937 5.544 1.00 1.57 N ATOM 1112 NH2 ARG A 322 -1.832 11.553 6.367 1.00 1.28 N ATOM 0 H ARG A 322 1.052 8.206 1.107 1.00 0.10 H new ATOM 0 HA ARG A 322 -1.579 8.105 2.078 1.00 0.12 H new ATOM 0 HB2 ARG A 322 0.671 10.108 2.442 1.00 0.15 H new ATOM 0 HB3 ARG A 322 -0.826 10.158 3.352 1.00 0.15 H new ATOM 0 HG2 ARG A 322 -0.249 7.666 3.964 1.00 0.19 H new ATOM 0 HG3 ARG A 322 1.372 8.089 3.450 1.00 0.19 H new ATOM 0 HD2 ARG A 322 1.077 8.412 5.884 1.00 0.34 H new ATOM 0 HD3 ARG A 322 1.469 9.917 5.076 1.00 0.34 H new ATOM 0 HE ARG A 322 -1.270 9.151 6.031 1.00 0.49 H new ATOM 0 HH11 ARG A 322 1.151 11.588 5.169 1.00 1.57 H new ATOM 0 HH12 ARG A 322 0.125 12.940 5.658 1.00 1.57 H new ATOM 0 HH21 ARG A 322 -2.577 10.907 6.630 1.00 1.28 H new ATOM 0 HH22 ARG A 322 -1.966 12.558 6.477 1.00 1.28 H new ATOM 1126 N GLU A 323 -1.003 10.447 -0.132 1.00 0.12 N ATOM 1127 CA GLU A 323 -1.657 11.437 -0.982 1.00 0.15 C ATOM 1128 C GLU A 323 -2.801 10.799 -1.764 1.00 0.14 C ATOM 1129 O GLU A 323 -3.872 11.391 -1.914 1.00 0.21 O ATOM 1130 CB GLU A 323 -0.646 12.060 -1.950 1.00 0.20 C ATOM 1131 CG GLU A 323 0.183 13.166 -1.331 1.00 0.62 C ATOM 1132 CD GLU A 323 -0.664 14.328 -0.862 1.00 1.27 C ATOM 1133 OE1 GLU A 323 -1.432 14.877 -1.680 1.00 1.76 O ATOM 1134 OE2 GLU A 323 -0.558 14.700 0.325 1.00 1.87 O ATOM 0 H GLU A 323 -0.029 10.261 -0.373 1.00 0.12 H new ATOM 0 HA GLU A 323 -2.064 12.221 -0.343 1.00 0.15 H new ATOM 0 HB2 GLU A 323 0.021 11.280 -2.318 1.00 0.20 H new ATOM 0 HB3 GLU A 323 -1.179 12.457 -2.814 1.00 0.20 H new ATOM 0 HG2 GLU A 323 0.745 12.766 -0.487 1.00 0.62 H new ATOM 0 HG3 GLU A 323 0.911 13.522 -2.060 1.00 0.62 H new ATOM 1141 N ILE A 324 -2.568 9.585 -2.251 1.00 0.12 N ATOM 1142 CA ILE A 324 -3.572 8.855 -3.011 1.00 0.14 C ATOM 1143 C ILE A 324 -4.710 8.393 -2.101 1.00 0.14 C ATOM 1144 O ILE A 324 -5.884 8.527 -2.444 1.00 0.18 O ATOM 1145 CB ILE A 324 -2.960 7.629 -3.725 1.00 0.18 C ATOM 1146 CG1 ILE A 324 -1.747 8.048 -4.557 1.00 0.21 C ATOM 1147 CG2 ILE A 324 -3.996 6.958 -4.614 1.00 0.23 C ATOM 1148 CD1 ILE A 324 -0.866 6.890 -4.964 1.00 0.29 C ATOM 0 H ILE A 324 -1.687 9.085 -2.131 1.00 0.12 H new ATOM 0 HA ILE A 324 -3.964 9.538 -3.764 1.00 0.14 H new ATOM 0 HB ILE A 324 -2.637 6.916 -2.967 1.00 0.18 H new ATOM 0 HG12 ILE A 324 -2.092 8.564 -5.453 1.00 0.21 H new ATOM 0 HG13 ILE A 324 -1.154 8.762 -3.986 1.00 0.21 H new ATOM 0 HG21 ILE A 324 -3.548 6.097 -5.109 1.00 0.23 H new ATOM 0 HG22 ILE A 324 -4.839 6.629 -4.006 1.00 0.23 H new ATOM 0 HG23 ILE A 324 -4.345 7.667 -5.365 1.00 0.23 H new ATOM 0 HD11 ILE A 324 -0.026 7.261 -5.551 1.00 0.29 H new ATOM 0 HD12 ILE A 324 -0.492 6.387 -4.073 1.00 0.29 H new ATOM 0 HD13 ILE A 324 -1.444 6.186 -5.562 1.00 0.29 H new ATOM 1160 N VAL A 325 -4.359 7.871 -0.929 1.00 0.11 N ATOM 1161 CA VAL A 325 -5.358 7.392 0.024 1.00 0.13 C ATOM 1162 C VAL A 325 -6.219 8.547 0.532 1.00 0.16 C ATOM 1163 O VAL A 325 -7.410 8.380 0.806 1.00 0.24 O ATOM 1164 CB VAL A 325 -4.699 6.659 1.216 1.00 0.15 C ATOM 1165 CG1 VAL A 325 -5.755 6.173 2.201 1.00 0.19 C ATOM 1166 CG2 VAL A 325 -3.862 5.495 0.716 1.00 0.16 C ATOM 0 H VAL A 325 -3.394 7.769 -0.616 1.00 0.11 H new ATOM 0 HA VAL A 325 -5.995 6.681 -0.502 1.00 0.13 H new ATOM 0 HB VAL A 325 -4.047 7.361 1.736 1.00 0.15 H new ATOM 0 HG11 VAL A 325 -5.269 5.660 3.031 1.00 0.19 H new ATOM 0 HG12 VAL A 325 -6.318 7.025 2.580 1.00 0.19 H new ATOM 0 HG13 VAL A 325 -6.434 5.485 1.697 1.00 0.19 H new ATOM 0 HG21 VAL A 325 -3.403 4.986 1.564 1.00 0.16 H new ATOM 0 HG22 VAL A 325 -4.499 4.795 0.174 1.00 0.16 H new ATOM 0 HG23 VAL A 325 -3.083 5.867 0.050 1.00 0.16 H new ATOM 1176 N SER A 326 -5.623 9.727 0.626 1.00 0.19 N ATOM 1177 CA SER A 326 -6.342 10.906 1.092 1.00 0.24 C ATOM 1178 C SER A 326 -7.048 11.611 -0.070 1.00 0.27 C ATOM 1179 O SER A 326 -7.548 12.728 0.077 1.00 0.44 O ATOM 1180 CB SER A 326 -5.379 11.869 1.787 1.00 0.32 C ATOM 1181 OG SER A 326 -4.594 11.193 2.759 1.00 0.37 O ATOM 0 H SER A 326 -4.646 9.894 0.387 1.00 0.19 H new ATOM 0 HA SER A 326 -7.100 10.584 1.806 1.00 0.24 H new ATOM 0 HB2 SER A 326 -4.727 12.333 1.047 1.00 0.32 H new ATOM 0 HB3 SER A 326 -5.942 12.671 2.264 1.00 0.32 H new ATOM 0 HG SER A 326 -3.743 10.917 2.358 1.00 0.37 H new ATOM 1187 N GLN A 327 -7.078 10.951 -1.222 1.00 0.27 N ATOM 1188 CA GLN A 327 -7.717 11.491 -2.412 1.00 0.32 C ATOM 1189 C GLN A 327 -8.970 10.690 -2.742 1.00 0.34 C ATOM 1190 O GLN A 327 -9.059 9.503 -2.421 1.00 0.53 O ATOM 1191 CB GLN A 327 -6.741 11.442 -3.593 1.00 0.41 C ATOM 1192 CG GLN A 327 -6.937 12.562 -4.602 1.00 0.63 C ATOM 1193 CD GLN A 327 -6.546 13.927 -4.057 1.00 0.75 C ATOM 1194 OE1 GLN A 327 -5.579 13.963 -3.149 1.00 1.16 O flip ATOM 1195 NE2 GLN A 327 -7.109 14.947 -4.456 1.00 0.94 N flip ATOM 0 H GLN A 327 -6.661 10.030 -1.355 1.00 0.27 H new ATOM 0 HA GLN A 327 -8.000 12.527 -2.224 1.00 0.32 H new ATOM 0 HB2 GLN A 327 -5.721 11.485 -3.211 1.00 0.41 H new ATOM 0 HB3 GLN A 327 -6.850 10.484 -4.102 1.00 0.41 H new ATOM 0 HG2 GLN A 327 -6.345 12.349 -5.492 1.00 0.63 H new ATOM 0 HG3 GLN A 327 -7.982 12.586 -4.912 1.00 0.63 H new ATOM 0 HE21 GLN A 327 -7.849 14.881 -5.155 1.00 0.94 H new ATOM 0 HE22 GLN A 327 -6.836 15.858 -4.087 1.00 0.94 H new ATOM 1204 N THR A 328 -9.937 11.337 -3.369 1.00 0.42 N ATOM 1205 CA THR A 328 -11.175 10.678 -3.741 1.00 0.49 C ATOM 1206 C THR A 328 -10.979 9.837 -4.998 1.00 0.51 C ATOM 1207 O THR A 328 -10.353 10.289 -5.956 1.00 0.84 O ATOM 1208 CB THR A 328 -12.288 11.712 -3.983 1.00 0.66 C ATOM 1209 OG1 THR A 328 -11.704 12.978 -4.341 1.00 0.88 O ATOM 1210 CG2 THR A 328 -13.156 11.874 -2.745 1.00 0.89 C ATOM 0 H THR A 328 -9.887 12.321 -3.632 1.00 0.42 H new ATOM 0 HA THR A 328 -11.468 10.026 -2.918 1.00 0.49 H new ATOM 0 HB THR A 328 -12.918 11.358 -4.799 1.00 0.66 H new ATOM 0 HG1 THR A 328 -12.415 13.634 -4.496 1.00 0.88 H new ATOM 0 HG21 THR A 328 -13.936 12.610 -2.941 1.00 0.89 H new ATOM 0 HG22 THR A 328 -13.615 10.918 -2.495 1.00 0.89 H new ATOM 0 HG23 THR A 328 -12.541 12.211 -1.911 1.00 0.89 H new ATOM 1218 N GLY A 329 -11.490 8.615 -4.982 1.00 0.45 N ATOM 1219 CA GLY A 329 -11.364 7.740 -6.134 1.00 0.44 C ATOM 1220 C GLY A 329 -10.974 6.328 -5.745 1.00 0.39 C ATOM 1221 O GLY A 329 -10.400 6.120 -4.673 1.00 0.43 O ATOM 0 H GLY A 329 -11.991 8.211 -4.191 1.00 0.45 H new ATOM 0 HA2 GLY A 329 -12.310 7.717 -6.675 1.00 0.44 H new ATOM 0 HA3 GLY A 329 -10.617 8.146 -6.816 1.00 0.44 H new ATOM 1225 N PRO A 330 -11.291 5.334 -6.594 1.00 0.40 N ATOM 1226 CA PRO A 330 -10.962 3.928 -6.332 1.00 0.39 C ATOM 1227 C PRO A 330 -9.457 3.671 -6.389 1.00 0.36 C ATOM 1228 O PRO A 330 -8.750 4.205 -7.250 1.00 0.56 O ATOM 1229 CB PRO A 330 -11.680 3.174 -7.456 1.00 0.47 C ATOM 1230 CG PRO A 330 -11.858 4.170 -8.545 1.00 0.58 C ATOM 1231 CD PRO A 330 -12.005 5.507 -7.873 1.00 0.52 C ATOM 0 HA PRO A 330 -11.269 3.615 -5.334 1.00 0.39 H new ATOM 0 HB2 PRO A 330 -11.092 2.321 -7.795 1.00 0.47 H new ATOM 0 HB3 PRO A 330 -12.640 2.785 -7.118 1.00 0.47 H new ATOM 0 HG2 PRO A 330 -11.002 4.166 -9.220 1.00 0.58 H new ATOM 0 HG3 PRO A 330 -12.738 3.937 -9.145 1.00 0.58 H new ATOM 0 HD2 PRO A 330 -11.568 6.306 -8.471 1.00 0.52 H new ATOM 0 HD3 PRO A 330 -13.053 5.763 -7.716 1.00 0.52 H new ATOM 1239 N ILE A 331 -8.970 2.848 -5.472 1.00 0.27 N ATOM 1240 CA ILE A 331 -7.551 2.535 -5.408 1.00 0.25 C ATOM 1241 C ILE A 331 -7.275 1.094 -5.832 1.00 0.25 C ATOM 1242 O ILE A 331 -7.887 0.155 -5.318 1.00 0.30 O ATOM 1243 CB ILE A 331 -6.989 2.769 -3.987 1.00 0.29 C ATOM 1244 CG1 ILE A 331 -7.269 4.207 -3.538 1.00 0.31 C ATOM 1245 CG2 ILE A 331 -5.493 2.483 -3.950 1.00 0.37 C ATOM 1246 CD1 ILE A 331 -6.910 4.476 -2.093 1.00 0.35 C ATOM 0 H ILE A 331 -9.537 2.385 -4.762 1.00 0.27 H new ATOM 0 HA ILE A 331 -7.049 3.207 -6.104 1.00 0.25 H new ATOM 0 HB ILE A 331 -7.486 2.085 -3.300 1.00 0.29 H new ATOM 0 HG12 ILE A 331 -6.710 4.892 -4.175 1.00 0.31 H new ATOM 0 HG13 ILE A 331 -8.327 4.425 -3.687 1.00 0.31 H new ATOM 0 HG21 ILE A 331 -5.115 2.653 -2.942 1.00 0.37 H new ATOM 0 HG22 ILE A 331 -5.314 1.446 -4.235 1.00 0.37 H new ATOM 0 HG23 ILE A 331 -4.979 3.145 -4.647 1.00 0.37 H new ATOM 0 HD11 ILE A 331 -7.136 5.514 -1.849 1.00 0.35 H new ATOM 0 HD12 ILE A 331 -7.488 3.817 -1.446 1.00 0.35 H new ATOM 0 HD13 ILE A 331 -5.846 4.291 -1.942 1.00 0.35 H new ATOM 1258 N SER A 332 -6.365 0.937 -6.785 1.00 0.28 N ATOM 1259 CA SER A 332 -5.970 -0.369 -7.278 1.00 0.31 C ATOM 1260 C SER A 332 -4.566 -0.688 -6.769 1.00 0.27 C ATOM 1261 O SER A 332 -3.580 -0.083 -7.202 1.00 0.31 O ATOM 1262 CB SER A 332 -6.012 -0.397 -8.810 1.00 0.41 C ATOM 1263 OG SER A 332 -7.240 0.136 -9.289 1.00 1.09 O ATOM 0 H SER A 332 -5.882 1.714 -7.236 1.00 0.28 H new ATOM 0 HA SER A 332 -6.665 -1.124 -6.912 1.00 0.31 H new ATOM 0 HB2 SER A 332 -5.178 0.179 -9.212 1.00 0.41 H new ATOM 0 HB3 SER A 332 -5.892 -1.421 -9.163 1.00 0.41 H new ATOM 0 HG SER A 332 -7.247 0.111 -10.269 1.00 1.09 H new ATOM 1269 N LEU A 333 -4.481 -1.617 -5.832 1.00 0.27 N ATOM 1270 CA LEU A 333 -3.206 -1.989 -5.243 1.00 0.26 C ATOM 1271 C LEU A 333 -2.582 -3.179 -5.955 1.00 0.26 C ATOM 1272 O LEU A 333 -3.233 -4.201 -6.171 1.00 0.30 O ATOM 1273 CB LEU A 333 -3.387 -2.318 -3.760 1.00 0.29 C ATOM 1274 CG LEU A 333 -3.761 -1.132 -2.869 1.00 0.27 C ATOM 1275 CD1 LEU A 333 -4.083 -1.610 -1.464 1.00 0.48 C ATOM 1276 CD2 LEU A 333 -2.639 -0.106 -2.835 1.00 0.39 C ATOM 0 H LEU A 333 -5.282 -2.129 -5.462 1.00 0.27 H new ATOM 0 HA LEU A 333 -2.534 -1.138 -5.353 1.00 0.26 H new ATOM 0 HB2 LEU A 333 -4.160 -3.080 -3.666 1.00 0.29 H new ATOM 0 HB3 LEU A 333 -2.461 -2.755 -3.386 1.00 0.29 H new ATOM 0 HG LEU A 333 -4.646 -0.655 -3.289 1.00 0.27 H new ATOM 0 HD11 LEU A 333 -4.347 -0.756 -0.841 1.00 0.48 H new ATOM 0 HD12 LEU A 333 -4.921 -2.306 -1.500 1.00 0.48 H new ATOM 0 HD13 LEU A 333 -3.212 -2.111 -1.042 1.00 0.48 H new ATOM 0 HD21 LEU A 333 -2.928 0.728 -2.195 1.00 0.39 H new ATOM 0 HD22 LEU A 333 -1.734 -0.569 -2.441 1.00 0.39 H new ATOM 0 HD23 LEU A 333 -2.450 0.260 -3.844 1.00 0.39 H new ATOM 1288 N THR A 334 -1.326 -3.024 -6.337 1.00 0.24 N ATOM 1289 CA THR A 334 -0.586 -4.089 -6.983 1.00 0.26 C ATOM 1290 C THR A 334 0.455 -4.620 -5.999 1.00 0.26 C ATOM 1291 O THR A 334 1.520 -4.022 -5.828 1.00 0.28 O ATOM 1292 CB THR A 334 0.096 -3.589 -8.268 1.00 0.31 C ATOM 1293 OG1 THR A 334 -0.778 -2.680 -8.948 1.00 0.50 O ATOM 1294 CG2 THR A 334 0.436 -4.750 -9.185 1.00 0.42 C ATOM 0 H THR A 334 -0.796 -2.162 -6.208 1.00 0.24 H new ATOM 0 HA THR A 334 -1.273 -4.886 -7.268 1.00 0.26 H new ATOM 0 HB THR A 334 1.021 -3.081 -7.996 1.00 0.31 H new ATOM 0 HG1 THR A 334 -0.744 -1.804 -8.510 1.00 0.50 H new ATOM 0 HG21 THR A 334 0.917 -4.372 -10.087 1.00 0.42 H new ATOM 0 HG22 THR A 334 1.113 -5.433 -8.672 1.00 0.42 H new ATOM 0 HG23 THR A 334 -0.478 -5.279 -9.456 1.00 0.42 H new ATOM 1302 N VAL A 335 0.123 -5.715 -5.320 1.00 0.26 N ATOM 1303 CA VAL A 335 1.018 -6.292 -4.321 1.00 0.28 C ATOM 1304 C VAL A 335 1.726 -7.541 -4.836 1.00 0.28 C ATOM 1305 O VAL A 335 1.278 -8.180 -5.791 1.00 0.32 O ATOM 1306 CB VAL A 335 0.263 -6.648 -3.019 1.00 0.30 C ATOM 1307 CG1 VAL A 335 -0.320 -5.399 -2.369 1.00 0.33 C ATOM 1308 CG2 VAL A 335 -0.827 -7.672 -3.292 1.00 0.31 C ATOM 0 H VAL A 335 -0.755 -6.219 -5.443 1.00 0.26 H new ATOM 0 HA VAL A 335 1.764 -5.526 -4.110 1.00 0.28 H new ATOM 0 HB VAL A 335 0.978 -7.088 -2.323 1.00 0.30 H new ATOM 0 HG11 VAL A 335 -0.846 -5.676 -1.455 1.00 0.33 H new ATOM 0 HG12 VAL A 335 0.485 -4.705 -2.128 1.00 0.33 H new ATOM 0 HG13 VAL A 335 -1.017 -4.922 -3.058 1.00 0.33 H new ATOM 0 HG21 VAL A 335 -1.345 -7.908 -2.363 1.00 0.31 H new ATOM 0 HG22 VAL A 335 -1.538 -7.264 -4.011 1.00 0.31 H new ATOM 0 HG23 VAL A 335 -0.380 -8.579 -3.699 1.00 0.31 H new ATOM 1318 N ALA A 336 2.836 -7.868 -4.194 1.00 0.28 N ATOM 1319 CA ALA A 336 3.621 -9.036 -4.543 1.00 0.31 C ATOM 1320 C ALA A 336 3.637 -10.010 -3.377 1.00 0.33 C ATOM 1321 O ALA A 336 4.124 -9.686 -2.290 1.00 0.38 O ATOM 1322 CB ALA A 336 5.037 -8.633 -4.925 1.00 0.34 C ATOM 0 H ALA A 336 3.216 -7.329 -3.416 1.00 0.28 H new ATOM 0 HA ALA A 336 3.166 -9.525 -5.404 1.00 0.31 H new ATOM 0 HB1 ALA A 336 5.611 -9.523 -5.184 1.00 0.34 H new ATOM 0 HB2 ALA A 336 5.005 -7.960 -5.782 1.00 0.34 H new ATOM 0 HB3 ALA A 336 5.511 -8.127 -4.084 1.00 0.34 H new ATOM 1328 N LYS A 337 3.075 -11.185 -3.600 1.00 0.36 N ATOM 1329 CA LYS A 337 3.014 -12.215 -2.580 1.00 0.40 C ATOM 1330 C LYS A 337 4.091 -13.262 -2.823 1.00 0.47 C ATOM 1331 O LYS A 337 4.208 -13.743 -3.974 1.00 0.60 O ATOM 1332 CB LYS A 337 1.630 -12.872 -2.569 1.00 0.41 C ATOM 1333 CG LYS A 337 0.486 -11.882 -2.408 1.00 0.37 C ATOM 1334 CD LYS A 337 -0.855 -12.591 -2.294 1.00 0.41 C ATOM 1335 CE LYS A 337 -1.018 -13.285 -0.948 1.00 0.39 C ATOM 1336 NZ LYS A 337 -1.277 -12.322 0.154 1.00 0.38 N ATOM 1337 OXT LYS A 337 4.819 -13.605 -1.867 1.00 0.70 O ATOM 0 H LYS A 337 2.650 -11.450 -4.489 1.00 0.36 H new ATOM 0 HA LYS A 337 3.188 -11.753 -1.608 1.00 0.40 H new ATOM 0 HB2 LYS A 337 1.492 -13.425 -3.498 1.00 0.41 H new ATOM 0 HB3 LYS A 337 1.588 -13.598 -1.757 1.00 0.41 H new ATOM 0 HG2 LYS A 337 0.653 -11.273 -1.520 1.00 0.37 H new ATOM 0 HG3 LYS A 337 0.468 -11.203 -3.261 1.00 0.37 H new ATOM 0 HD2 LYS A 337 -1.660 -11.869 -2.430 1.00 0.41 H new ATOM 0 HD3 LYS A 337 -0.947 -13.325 -3.094 1.00 0.41 H new ATOM 0 HE2 LYS A 337 -1.841 -13.997 -1.006 1.00 0.39 H new ATOM 0 HE3 LYS A 337 -0.117 -13.856 -0.724 1.00 0.39 H new ATOM 0 HZ1 LYS A 337 -1.708 -12.822 0.958 1.00 0.38 H new ATOM 0 HZ2 LYS A 337 -0.380 -11.890 0.456 1.00 0.38 H new ATOM 0 HZ3 LYS A 337 -1.924 -11.579 -0.179 1.00 0.38 H new TER 1351 LYS A 337 HETATM 1352 C1 PHQ B 1 1.893 4.144 7.827 1.00 0.19 C HETATM 1353 O1 PHQ B 1 1.841 2.944 8.114 1.00 0.22 O HETATM 1354 O2 PHQ B 1 3.208 4.784 7.401 1.00 0.26 O HETATM 1355 C2 PHQ B 1 4.382 3.847 7.663 1.00 0.31 C HETATM 1356 C3 PHQ B 1 5.725 4.429 7.289 1.00 0.38 C HETATM 1357 C4 PHQ B 1 6.829 3.580 7.101 1.00 1.30 C HETATM 1358 C5 PHQ B 1 8.036 4.097 6.607 1.00 1.42 C HETATM 1359 C6 PHQ B 1 8.162 5.478 6.365 1.00 0.84 C HETATM 1360 C7 PHQ B 1 7.079 6.337 6.627 1.00 1.38 C HETATM 1361 C8 PHQ B 1 5.872 5.816 7.124 1.00 1.29 C HETATM 0 H81 PHQ B 1 5.052 6.487 7.381 1.00 1.29 H new HETATM 0 H71 PHQ B 1 7.176 7.407 6.444 1.00 1.38 H new HETATM 0 H61 PHQ B 1 9.097 5.881 5.975 1.00 0.84 H new HETATM 0 H51 PHQ B 1 8.875 3.430 6.411 1.00 1.42 H new HETATM 0 H41 PHQ B 1 6.747 2.519 7.339 1.00 1.30 H new HETATM 0 H22 PHQ B 1 4.394 3.582 8.720 1.00 0.31 H new HETATM 0 H21 PHQ B 1 4.229 2.924 7.104 1.00 0.31 H new ATOM 1369 N TRP B 2 0.800 4.887 7.888 1.00 0.14 N ATOM 1370 CA TRP B 2 -0.495 4.344 8.287 1.00 0.13 C ATOM 1371 C TRP B 2 -1.608 4.997 7.486 1.00 0.14 C ATOM 1372 O TRP B 2 -1.858 6.197 7.626 1.00 0.23 O ATOM 1373 CB TRP B 2 -0.741 4.575 9.781 1.00 0.19 C ATOM 1374 CG TRP B 2 -0.260 3.460 10.657 1.00 0.21 C ATOM 1375 CD1 TRP B 2 0.953 3.368 11.278 1.00 0.30 C ATOM 1376 CD2 TRP B 2 -0.985 2.279 11.020 1.00 0.24 C ATOM 1377 NE1 TRP B 2 1.025 2.204 12.002 1.00 0.32 N ATOM 1378 CE2 TRP B 2 -0.149 1.518 11.859 1.00 0.28 C ATOM 1379 CE3 TRP B 2 -2.261 1.788 10.718 1.00 0.32 C ATOM 1380 CZ2 TRP B 2 -0.543 0.299 12.397 1.00 0.33 C ATOM 1381 CZ3 TRP B 2 -2.646 0.575 11.255 1.00 0.40 C ATOM 1382 CH2 TRP B 2 -1.791 -0.156 12.086 1.00 0.39 C ATOM 0 HA TRP B 2 -0.488 3.272 8.090 1.00 0.13 H new ATOM 0 HB2 TRP B 2 -0.246 5.499 10.082 1.00 0.19 H new ATOM 0 HB3 TRP B 2 -1.809 4.717 9.945 1.00 0.19 H new ATOM 0 HD1 TRP B 2 1.741 4.104 11.209 1.00 0.30 H new ATOM 0 HE1 TRP B 2 1.825 1.900 12.557 1.00 0.32 H new ATOM 0 HE3 TRP B 2 -2.930 2.346 10.079 1.00 0.32 H new ATOM 0 HZ2 TRP B 2 0.115 -0.268 13.039 1.00 0.33 H new ATOM 0 HZ3 TRP B 2 -3.627 0.183 11.029 1.00 0.40 H new ATOM 0 HH2 TRP B 2 -2.126 -1.100 12.490 1.00 0.39 H new ATOM 1393 N VAL B 3 -2.268 4.216 6.646 1.00 0.09 N ATOM 1394 CA VAL B 3 -3.360 4.728 5.829 1.00 0.11 C ATOM 1395 C VAL B 3 -4.460 3.692 5.707 1.00 0.14 C ATOM 1396 O VAL B 3 -5.643 4.081 5.630 1.00 0.24 O ATOM 1397 CB VAL B 3 -2.908 5.158 4.416 1.00 0.14 C ATOM 1398 CG1 VAL B 3 -2.541 6.633 4.404 1.00 0.21 C ATOM 1399 CG2 VAL B 3 -1.745 4.312 3.905 1.00 0.11 C ATOM 1400 OXT VAL B 3 -4.140 2.493 5.724 1.00 0.27 O ATOM 0 H VAL B 3 -2.068 3.225 6.511 1.00 0.09 H new ATOM 0 HA VAL B 3 -3.732 5.616 6.339 1.00 0.11 H new ATOM 0 HB VAL B 3 -3.748 4.995 3.740 1.00 0.14 H new ATOM 0 HG11 VAL B 3 -2.224 6.921 3.402 1.00 0.21 H new ATOM 0 HG12 VAL B 3 -3.408 7.226 4.695 1.00 0.21 H new ATOM 0 HG13 VAL B 3 -1.727 6.811 5.107 1.00 0.21 H new ATOM 0 HG21 VAL B 3 -1.460 4.649 2.908 1.00 0.11 H new ATOM 0 HG22 VAL B 3 -0.895 4.416 4.580 1.00 0.11 H new ATOM 0 HG23 VAL B 3 -2.048 3.266 3.861 1.00 0.11 H new TER 1410 VAL B 3