USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 271 ASN :FLIP amide:sc= -1.95 F(o=-5.5!,f=-2.5) USER MOD Set 1.2: A 272 MET CE :methyl -103:sc= -0.524 (180deg=-3.1!) USER MOD Set 2.1: A 240 TYR OH : rot 180:sc= 0.0789 USER MOD Set 2.2: A 281 ASN : amide:sc= 0.0781 X(o=0.16,f=0.27) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.9!) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 228 ASN : amide:sc= -5.52! C(o=-5.5!,f=-5.5!) USER MOD Single : A 229 THR OG1 : rot 56:sc= 0.287 USER MOD Single : A 233 ASN : amide:sc= -4.67! C(o=-4.7!,f=-4.9!) USER MOD Single : A 235 GLN :FLIP amide:sc= -0.0707 F(o=-1.3!,f=-0.071) USER MOD Single : A 236 ASN : amide:sc= -2.87 K(o=-2.9,f=-5.8!) USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 246 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00183) USER MOD Single : A 250 ASN : amide:sc= -2.55! C(o=-2.6!,f=-11!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 52:sc= 0.907 USER MOD Single : A 266 LYS NZ :NH3+ -130:sc= 0.0853 (180deg=0) USER MOD Single : A 268 THR OG1 : rot -28:sc= 0.19 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN :FLIP amide:sc= -2.28! C(o=-5.8!,f=-2.3!) USER MOD Single : A 280 CYS SG : rot -42:sc= -18.6! USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.801 K(o=-0.8,f=-2.4!) USER MOD Single : A 290 THR OG1 : rot 180:sc= -0.144 USER MOD Single : A 291 HIS :FLIP no HE2:sc= -0.63 F(o=-1.4,f=-0.63) USER MOD Single : A 297 GLN : amide:sc= -1.82 X(o=-1.8,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 12.158 5.956 -0.498 1.00 4.69 N ATOM 2 CA GLY A 220 11.175 4.935 -0.064 1.00 4.23 C ATOM 3 C GLY A 220 11.399 3.600 -0.744 1.00 3.74 C ATOM 4 O GLY A 220 10.782 3.316 -1.770 1.00 3.79 O ATOM 0 HA2 GLY A 220 11.241 4.806 1.016 1.00 4.23 H new ATOM 0 HA3 GLY A 220 10.167 5.288 -0.282 1.00 4.23 H new ATOM 10 N PRO A 221 12.300 2.766 -0.203 1.00 3.49 N ATOM 11 CA PRO A 221 12.595 1.438 -0.747 1.00 3.23 C ATOM 12 C PRO A 221 11.491 0.398 -0.460 1.00 2.59 C ATOM 13 O PRO A 221 10.428 0.425 -1.074 1.00 2.75 O ATOM 14 CB PRO A 221 13.931 1.061 -0.057 1.00 3.34 C ATOM 15 CG PRO A 221 14.400 2.314 0.602 1.00 3.90 C ATOM 16 CD PRO A 221 13.153 3.064 0.948 1.00 3.80 C ATOM 0 HA PRO A 221 12.654 1.449 -1.835 1.00 3.23 H new ATOM 0 HB2 PRO A 221 13.786 0.264 0.672 1.00 3.34 H new ATOM 0 HB3 PRO A 221 14.661 0.701 -0.782 1.00 3.34 H new ATOM 0 HG2 PRO A 221 14.988 2.094 1.493 1.00 3.90 H new ATOM 0 HG3 PRO A 221 15.037 2.895 -0.065 1.00 3.90 H new ATOM 0 HD2 PRO A 221 12.714 2.718 1.884 1.00 3.80 H new ATOM 0 HD3 PRO A 221 13.335 4.133 1.057 1.00 3.80 H new ATOM 24 N TYR A 222 11.747 -0.488 0.496 1.00 2.37 N ATOM 25 CA TYR A 222 10.920 -1.665 0.763 1.00 2.06 C ATOM 26 C TYR A 222 10.097 -1.452 2.016 1.00 2.25 C ATOM 27 O TYR A 222 10.082 -0.343 2.543 1.00 2.77 O ATOM 28 CB TYR A 222 11.775 -2.937 0.873 1.00 2.28 C ATOM 29 CG TYR A 222 12.949 -2.834 1.825 1.00 2.92 C ATOM 30 CD1 TYR A 222 14.170 -2.318 1.405 1.00 3.43 C ATOM 31 CD2 TYR A 222 12.831 -3.244 3.148 1.00 3.39 C ATOM 32 CE1 TYR A 222 15.238 -2.216 2.275 1.00 4.30 C ATOM 33 CE2 TYR A 222 13.896 -3.146 4.023 1.00 4.22 C ATOM 34 CZ TYR A 222 15.110 -2.662 3.565 1.00 4.65 C ATOM 35 OH TYR A 222 16.155 -2.528 4.450 1.00 5.60 O ATOM 0 H TYR A 222 12.550 -0.409 1.120 1.00 2.37 H new ATOM 0 HA TYR A 222 10.241 -1.803 -0.079 1.00 2.06 H new ATOM 0 HB2 TYR A 222 11.137 -3.760 1.194 1.00 2.28 H new ATOM 0 HB3 TYR A 222 12.150 -3.192 -0.118 1.00 2.28 H new ATOM 0 HD1 TYR A 222 14.285 -1.992 0.382 1.00 3.43 H new ATOM 0 HD2 TYR A 222 11.891 -3.646 3.498 1.00 3.39 H new ATOM 0 HE1 TYR A 222 16.171 -1.786 1.940 1.00 4.30 H new ATOM 0 HE2 TYR A 222 13.783 -3.444 5.055 1.00 4.22 H new ATOM 0 HH TYR A 222 15.895 -2.895 5.321 1.00 5.60 H new ATOM 45 N ALA A 223 9.332 -2.477 2.420 1.00 2.49 N ATOM 46 CA ALA A 223 8.555 -2.438 3.666 1.00 2.89 C ATOM 47 C ALA A 223 9.333 -1.714 4.766 1.00 2.33 C ATOM 48 O ALA A 223 10.566 -1.704 4.743 1.00 2.21 O ATOM 49 CB ALA A 223 8.217 -3.852 4.111 1.00 3.84 C ATOM 0 H ALA A 223 9.235 -3.348 1.898 1.00 2.49 H new ATOM 0 HA ALA A 223 7.631 -1.890 3.481 1.00 2.89 H new ATOM 0 HB1 ALA A 223 7.641 -3.815 5.036 1.00 3.84 H new ATOM 0 HB2 ALA A 223 7.630 -4.346 3.337 1.00 3.84 H new ATOM 0 HB3 ALA A 223 9.138 -4.410 4.280 1.00 3.84 H new ATOM 55 N GLN A 224 8.625 -1.246 5.793 1.00 2.43 N ATOM 56 CA GLN A 224 9.008 -0.029 6.517 1.00 2.08 C ATOM 57 C GLN A 224 10.514 0.093 6.753 1.00 1.83 C ATOM 58 O GLN A 224 11.088 -0.531 7.643 1.00 2.07 O ATOM 59 CB GLN A 224 8.264 0.049 7.854 1.00 2.42 C ATOM 60 CG GLN A 224 8.369 -1.213 8.698 1.00 2.85 C ATOM 61 CD GLN A 224 7.697 -1.072 10.046 1.00 3.37 C ATOM 62 OE1 GLN A 224 6.505 -1.342 10.190 1.00 4.07 O ATOM 63 NE2 GLN A 224 8.456 -0.651 11.047 1.00 3.48 N ATOM 0 H GLN A 224 7.778 -1.692 6.146 1.00 2.43 H new ATOM 0 HA GLN A 224 8.723 0.807 5.879 1.00 2.08 H new ATOM 0 HB2 GLN A 224 8.655 0.890 8.427 1.00 2.42 H new ATOM 0 HB3 GLN A 224 7.212 0.257 7.660 1.00 2.42 H new ATOM 0 HG2 GLN A 224 7.918 -2.045 8.157 1.00 2.85 H new ATOM 0 HG3 GLN A 224 9.420 -1.460 8.845 1.00 2.85 H new ATOM 0 HE21 GLN A 224 9.440 -0.438 10.886 1.00 3.48 H new ATOM 0 HE22 GLN A 224 8.056 -0.540 11.979 1.00 3.48 H new ATOM 72 N PRO A 225 11.161 0.916 5.894 1.00 1.72 N ATOM 73 CA PRO A 225 12.600 1.226 5.965 1.00 1.92 C ATOM 74 C PRO A 225 12.999 1.904 7.282 1.00 2.14 C ATOM 75 O PRO A 225 14.176 2.179 7.514 1.00 2.66 O ATOM 76 CB PRO A 225 12.806 2.198 4.801 1.00 2.14 C ATOM 77 CG PRO A 225 11.685 1.940 3.866 1.00 2.04 C ATOM 78 CD PRO A 225 10.527 1.578 4.737 1.00 1.87 C ATOM 0 HA PRO A 225 13.207 0.322 5.913 1.00 1.92 H new ATOM 0 HB2 PRO A 225 12.798 3.232 5.147 1.00 2.14 H new ATOM 0 HB3 PRO A 225 13.768 2.031 4.316 1.00 2.14 H new ATOM 0 HG2 PRO A 225 11.464 2.821 3.263 1.00 2.04 H new ATOM 0 HG3 PRO A 225 11.926 1.132 3.175 1.00 2.04 H new ATOM 0 HD2 PRO A 225 9.961 2.459 5.039 1.00 1.87 H new ATOM 0 HD3 PRO A 225 9.832 0.913 4.225 1.00 1.87 H new ATOM 86 N SER A 226 11.994 2.201 8.109 1.00 1.95 N ATOM 87 CA SER A 226 12.183 2.738 9.453 1.00 2.16 C ATOM 88 C SER A 226 12.428 4.243 9.437 1.00 2.03 C ATOM 89 O SER A 226 13.326 4.746 10.111 1.00 2.18 O ATOM 90 CB SER A 226 13.306 2.007 10.197 1.00 2.66 C ATOM 91 OG SER A 226 12.998 0.630 10.352 1.00 3.31 O ATOM 0 H SER A 226 11.014 2.072 7.858 1.00 1.95 H new ATOM 0 HA SER A 226 11.254 2.565 9.995 1.00 2.16 H new ATOM 0 HB2 SER A 226 14.242 2.115 9.648 1.00 2.66 H new ATOM 0 HB3 SER A 226 13.456 2.463 11.176 1.00 2.66 H new ATOM 0 HG SER A 226 13.729 0.183 10.828 1.00 3.31 H new ATOM 97 N ILE A 227 11.611 4.962 8.675 1.00 1.95 N ATOM 98 CA ILE A 227 11.556 6.418 8.799 1.00 2.10 C ATOM 99 C ILE A 227 10.292 6.733 9.582 1.00 2.00 C ATOM 100 O ILE A 227 10.014 7.861 9.990 1.00 2.30 O ATOM 101 CB ILE A 227 11.513 7.151 7.428 1.00 2.25 C ATOM 102 CG1 ILE A 227 12.651 6.694 6.515 1.00 2.55 C ATOM 103 CG2 ILE A 227 11.579 8.661 7.615 1.00 2.41 C ATOM 104 CD1 ILE A 227 12.329 5.446 5.728 1.00 2.87 C ATOM 0 H ILE A 227 10.984 4.569 7.973 1.00 1.95 H new ATOM 0 HA ILE A 227 12.461 6.767 9.296 1.00 2.10 H new ATOM 0 HB ILE A 227 10.565 6.894 6.955 1.00 2.25 H new ATOM 0 HG12 ILE A 227 12.895 7.499 5.821 1.00 2.55 H new ATOM 0 HG13 ILE A 227 13.540 6.514 7.119 1.00 2.55 H new ATOM 0 HG21 ILE A 227 11.547 9.150 6.641 1.00 2.41 H new ATOM 0 HG22 ILE A 227 10.730 8.991 8.214 1.00 2.41 H new ATOM 0 HG23 ILE A 227 12.507 8.924 8.123 1.00 2.41 H new ATOM 0 HD11 ILE A 227 13.181 5.180 5.102 1.00 2.87 H new ATOM 0 HD12 ILE A 227 12.114 4.628 6.415 1.00 2.87 H new ATOM 0 HD13 ILE A 227 11.459 5.628 5.097 1.00 2.87 H new ATOM 116 N ASN A 228 9.563 5.652 9.777 1.00 1.79 N ATOM 117 CA ASN A 228 8.228 5.603 10.334 1.00 1.83 C ATOM 118 C ASN A 228 7.693 4.251 9.899 1.00 1.88 C ATOM 119 O ASN A 228 8.460 3.288 9.826 1.00 2.30 O ATOM 120 CB ASN A 228 7.335 6.778 9.857 1.00 2.31 C ATOM 121 CG ASN A 228 7.114 6.833 8.358 1.00 2.87 C ATOM 122 OD1 ASN A 228 6.126 6.313 7.854 1.00 3.55 O ATOM 123 ND2 ASN A 228 8.024 7.476 7.642 1.00 3.10 N ATOM 0 H ASN A 228 9.911 4.725 9.534 1.00 1.79 H new ATOM 0 HA ASN A 228 8.235 5.713 11.418 1.00 1.83 H new ATOM 0 HB2 ASN A 228 6.366 6.705 10.352 1.00 2.31 H new ATOM 0 HB3 ASN A 228 7.788 7.716 10.179 1.00 2.31 H new ATOM 0 HD21 ASN A 228 7.916 7.552 6.631 1.00 3.10 H new ATOM 0 HD22 ASN A 228 8.832 7.895 8.102 1.00 3.10 H new ATOM 130 N THR A 229 6.441 4.171 9.558 1.00 2.19 N ATOM 131 CA THR A 229 5.897 2.913 9.057 1.00 2.52 C ATOM 132 C THR A 229 5.125 3.133 7.762 1.00 2.03 C ATOM 133 O THR A 229 3.896 3.248 7.754 1.00 2.87 O ATOM 134 CB THR A 229 4.968 2.246 10.089 1.00 3.92 C ATOM 135 OG1 THR A 229 3.997 3.195 10.555 1.00 4.47 O ATOM 136 CG2 THR A 229 5.762 1.699 11.261 1.00 4.68 C ATOM 0 H THR A 229 5.774 4.941 9.611 1.00 2.19 H new ATOM 0 HA THR A 229 6.744 2.254 8.869 1.00 2.52 H new ATOM 0 HB THR A 229 4.458 1.414 9.605 1.00 3.92 H new ATOM 0 HG1 THR A 229 3.510 3.567 9.790 1.00 4.47 H new ATOM 0 HG21 THR A 229 5.083 1.233 11.975 1.00 4.68 H new ATOM 0 HG22 THR A 229 6.476 0.957 10.902 1.00 4.68 H new ATOM 0 HG23 THR A 229 6.299 2.513 11.748 1.00 4.68 H new ATOM 144 N PRO A 230 5.855 3.213 6.651 1.00 1.09 N ATOM 145 CA PRO A 230 5.302 3.314 5.318 1.00 1.06 C ATOM 146 C PRO A 230 5.331 2.033 4.514 1.00 1.08 C ATOM 147 O PRO A 230 6.031 1.074 4.838 1.00 1.84 O ATOM 148 CB PRO A 230 6.243 4.307 4.651 1.00 1.66 C ATOM 149 CG PRO A 230 7.317 4.586 5.648 1.00 1.77 C ATOM 150 CD PRO A 230 7.285 3.418 6.583 1.00 1.32 C ATOM 0 HA PRO A 230 4.248 3.587 5.368 1.00 1.06 H new ATOM 0 HB2 PRO A 230 6.660 3.893 3.733 1.00 1.66 H new ATOM 0 HB3 PRO A 230 5.716 5.221 4.378 1.00 1.66 H new ATOM 0 HG2 PRO A 230 8.290 4.680 5.165 1.00 1.77 H new ATOM 0 HG3 PRO A 230 7.132 5.521 6.177 1.00 1.77 H new ATOM 0 HD2 PRO A 230 7.815 2.551 6.190 1.00 1.32 H new ATOM 0 HD3 PRO A 230 7.723 3.646 7.555 1.00 1.32 H new ATOM 158 N LEU A 231 4.572 2.070 3.445 1.00 1.29 N ATOM 159 CA LEU A 231 4.624 1.068 2.401 1.00 1.31 C ATOM 160 C LEU A 231 4.966 1.774 1.087 1.00 0.89 C ATOM 161 O LEU A 231 4.083 2.304 0.427 1.00 1.38 O ATOM 162 CB LEU A 231 3.266 0.361 2.304 1.00 2.04 C ATOM 163 CG LEU A 231 3.134 -0.680 1.196 1.00 2.75 C ATOM 164 CD1 LEU A 231 4.083 -1.841 1.433 1.00 3.41 C ATOM 165 CD2 LEU A 231 1.695 -1.164 1.093 1.00 3.64 C ATOM 0 H LEU A 231 3.889 2.808 3.271 1.00 1.29 H new ATOM 0 HA LEU A 231 5.382 0.316 2.619 1.00 1.31 H new ATOM 0 HB2 LEU A 231 3.062 -0.125 3.258 1.00 2.04 H new ATOM 0 HB3 LEU A 231 2.494 1.117 2.160 1.00 2.04 H new ATOM 0 HG LEU A 231 3.406 -0.214 0.249 1.00 2.75 H new ATOM 0 HD11 LEU A 231 3.972 -2.571 0.631 1.00 3.41 H new ATOM 0 HD12 LEU A 231 5.109 -1.474 1.450 1.00 3.41 H new ATOM 0 HD13 LEU A 231 3.850 -2.312 2.388 1.00 3.41 H new ATOM 0 HD21 LEU A 231 1.617 -1.906 0.298 1.00 3.64 H new ATOM 0 HD22 LEU A 231 1.393 -1.613 2.040 1.00 3.64 H new ATOM 0 HD23 LEU A 231 1.043 -0.320 0.867 1.00 3.64 H new ATOM 177 N PRO A 232 6.263 1.855 0.738 1.00 1.28 N ATOM 178 CA PRO A 232 6.731 2.602 -0.429 1.00 1.64 C ATOM 179 C PRO A 232 6.703 1.800 -1.737 1.00 1.09 C ATOM 180 O PRO A 232 5.675 1.741 -2.409 1.00 1.25 O ATOM 181 CB PRO A 232 8.149 3.007 -0.032 1.00 2.66 C ATOM 182 CG PRO A 232 8.581 2.046 1.038 1.00 2.98 C ATOM 183 CD PRO A 232 7.380 1.221 1.442 1.00 2.18 C ATOM 0 HA PRO A 232 6.081 3.448 -0.655 1.00 1.64 H new ATOM 0 HB2 PRO A 232 8.820 2.961 -0.889 1.00 2.66 H new ATOM 0 HB3 PRO A 232 8.171 4.033 0.335 1.00 2.66 H new ATOM 0 HG2 PRO A 232 9.379 1.401 0.671 1.00 2.98 H new ATOM 0 HG3 PRO A 232 8.978 2.587 1.897 1.00 2.98 H new ATOM 0 HD2 PRO A 232 7.496 0.177 1.149 1.00 2.18 H new ATOM 0 HD3 PRO A 232 7.231 1.235 2.522 1.00 2.18 H new ATOM 191 N ASN A 233 7.843 1.198 -2.103 1.00 0.77 N ATOM 192 CA ASN A 233 7.930 0.318 -3.265 1.00 0.98 C ATOM 193 C ASN A 233 7.653 1.063 -4.565 1.00 0.61 C ATOM 194 O ASN A 233 7.838 2.276 -4.632 1.00 1.31 O ATOM 195 CB ASN A 233 6.995 -0.866 -3.075 1.00 2.09 C ATOM 196 CG ASN A 233 7.376 -1.701 -1.865 1.00 2.85 C ATOM 197 OD1 ASN A 233 8.549 -1.822 -1.525 1.00 3.08 O ATOM 198 ND2 ASN A 233 6.388 -2.286 -1.205 1.00 3.66 N ATOM 0 H ASN A 233 8.724 1.310 -1.601 1.00 0.77 H new ATOM 0 HA ASN A 233 8.951 -0.055 -3.346 1.00 0.98 H new ATOM 0 HB2 ASN A 233 5.973 -0.506 -2.960 1.00 2.09 H new ATOM 0 HB3 ASN A 233 7.015 -1.491 -3.968 1.00 2.09 H new ATOM 0 HD21 ASN A 233 6.591 -2.859 -0.386 1.00 3.66 H new ATOM 0 HD22 ASN A 233 5.424 -2.164 -1.516 1.00 3.66 H new ATOM 205 N LEU A 234 7.258 0.315 -5.607 1.00 0.89 N ATOM 206 CA LEU A 234 7.200 0.819 -6.992 1.00 0.65 C ATOM 207 C LEU A 234 8.613 0.957 -7.510 1.00 0.63 C ATOM 208 O LEU A 234 8.982 0.401 -8.543 1.00 0.85 O ATOM 209 CB LEU A 234 6.436 2.153 -7.072 1.00 0.57 C ATOM 210 CG LEU A 234 6.147 2.729 -8.478 1.00 0.55 C ATOM 211 CD1 LEU A 234 7.406 3.285 -9.133 1.00 0.90 C ATOM 212 CD2 LEU A 234 5.522 1.679 -9.378 1.00 0.86 C ATOM 0 H LEU A 234 6.969 -0.659 -5.515 1.00 0.89 H new ATOM 0 HA LEU A 234 6.652 0.113 -7.616 1.00 0.65 H new ATOM 0 HB2 LEU A 234 5.483 2.026 -6.559 1.00 0.57 H new ATOM 0 HB3 LEU A 234 7.002 2.898 -6.513 1.00 0.57 H new ATOM 0 HG LEU A 234 5.442 3.550 -8.345 1.00 0.55 H new ATOM 0 HD11 LEU A 234 7.159 3.680 -10.119 1.00 0.90 H new ATOM 0 HD12 LEU A 234 7.816 4.084 -8.514 1.00 0.90 H new ATOM 0 HD13 LEU A 234 8.145 2.490 -9.235 1.00 0.90 H new ATOM 0 HD21 LEU A 234 5.329 2.110 -10.360 1.00 0.86 H new ATOM 0 HD22 LEU A 234 6.204 0.835 -9.480 1.00 0.86 H new ATOM 0 HD23 LEU A 234 4.584 1.337 -8.941 1.00 0.86 H new ATOM 224 N GLN A 235 9.384 1.688 -6.749 1.00 0.59 N ATOM 225 CA GLN A 235 10.791 1.753 -6.870 1.00 0.72 C ATOM 226 C GLN A 235 11.380 0.349 -6.817 1.00 0.76 C ATOM 227 O GLN A 235 12.337 0.014 -7.520 1.00 0.99 O ATOM 228 CB GLN A 235 11.208 2.566 -5.676 1.00 0.79 C ATOM 229 CG GLN A 235 11.406 4.041 -5.962 1.00 1.06 C ATOM 230 CD GLN A 235 12.648 4.336 -6.780 1.00 1.32 C ATOM 231 OE1 GLN A 235 13.680 3.526 -6.614 1.00 1.98 O flip ATOM 232 NE2 GLN A 235 12.683 5.294 -7.549 1.00 1.70 N flip ATOM 0 H GLN A 235 9.018 2.275 -5.999 1.00 0.59 H new ATOM 0 HA GLN A 235 11.131 2.191 -7.808 1.00 0.72 H new ATOM 0 HB2 GLN A 235 10.454 2.457 -4.896 1.00 0.79 H new ATOM 0 HB3 GLN A 235 12.137 2.157 -5.280 1.00 0.79 H new ATOM 0 HG2 GLN A 235 10.533 4.421 -6.492 1.00 1.06 H new ATOM 0 HG3 GLN A 235 11.466 4.582 -5.017 1.00 1.06 H new ATOM 0 HE21 GLN A 235 11.866 5.897 -7.650 1.00 1.70 H new ATOM 0 HE22 GLN A 235 13.529 5.486 -8.086 1.00 1.70 H new ATOM 241 N ASN A 236 10.765 -0.464 -5.975 1.00 0.64 N ATOM 242 CA ASN A 236 11.164 -1.837 -5.777 1.00 0.65 C ATOM 243 C ASN A 236 10.340 -2.778 -6.660 1.00 0.57 C ATOM 244 O ASN A 236 10.882 -3.692 -7.277 1.00 0.61 O ATOM 245 CB ASN A 236 10.976 -2.215 -4.307 1.00 0.75 C ATOM 246 CG ASN A 236 11.809 -1.392 -3.330 1.00 0.95 C ATOM 247 OD1 ASN A 236 12.175 -0.250 -3.603 1.00 1.48 O ATOM 248 ND2 ASN A 236 12.101 -1.971 -2.170 1.00 1.06 N ATOM 0 H ASN A 236 9.967 -0.181 -5.406 1.00 0.64 H new ATOM 0 HA ASN A 236 12.214 -1.937 -6.054 1.00 0.65 H new ATOM 0 HB2 ASN A 236 9.923 -2.105 -4.049 1.00 0.75 H new ATOM 0 HB3 ASN A 236 11.227 -3.268 -4.181 1.00 0.75 H new ATOM 0 HD21 ASN A 236 12.646 -1.466 -1.471 1.00 1.06 H new ATOM 0 HD22 ASN A 236 11.780 -2.920 -1.979 1.00 1.06 H new ATOM 255 N GLY A 237 9.028 -2.544 -6.719 1.00 0.55 N ATOM 256 CA GLY A 237 8.145 -3.421 -7.466 1.00 0.52 C ATOM 257 C GLY A 237 7.415 -2.701 -8.603 1.00 0.52 C ATOM 258 O GLY A 237 8.016 -2.454 -9.646 1.00 0.65 O ATOM 0 H GLY A 237 8.563 -1.760 -6.261 1.00 0.55 H new ATOM 0 HA2 GLY A 237 8.725 -4.247 -7.878 1.00 0.52 H new ATOM 0 HA3 GLY A 237 7.411 -3.855 -6.786 1.00 0.52 H new ATOM 262 N PRO A 238 6.122 -2.327 -8.437 1.00 0.40 N ATOM 263 CA PRO A 238 5.383 -2.432 -7.179 1.00 0.28 C ATOM 264 C PRO A 238 5.072 -3.817 -6.794 1.00 0.28 C ATOM 265 O PRO A 238 4.729 -4.676 -7.602 1.00 0.41 O ATOM 266 CB PRO A 238 4.124 -1.616 -7.426 1.00 0.25 C ATOM 267 CG PRO A 238 3.883 -1.759 -8.871 1.00 0.59 C ATOM 268 CD PRO A 238 5.255 -1.796 -9.504 1.00 0.43 C ATOM 0 HA PRO A 238 5.973 -2.064 -6.339 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.284 -1.992 -6.842 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.264 -0.572 -7.146 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.325 -2.670 -9.088 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.295 -0.926 -9.256 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.271 -2.435 -10.387 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.575 -0.804 -9.823 1.00 0.43 H new ATOM 276 N PHE A 239 5.211 -3.996 -5.519 1.00 0.24 N ATOM 277 CA PHE A 239 5.072 -5.284 -4.933 1.00 0.26 C ATOM 278 C PHE A 239 3.606 -5.498 -4.650 1.00 0.22 C ATOM 279 O PHE A 239 2.853 -4.529 -4.527 1.00 0.26 O ATOM 280 CB PHE A 239 5.853 -5.417 -3.619 1.00 0.38 C ATOM 281 CG PHE A 239 7.360 -5.358 -3.682 1.00 0.48 C ATOM 282 CD1 PHE A 239 8.058 -6.052 -4.642 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.075 -4.660 -2.722 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.440 -6.049 -4.658 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.454 -4.645 -2.736 1.00 0.79 C ATOM 286 CZ PHE A 239 10.137 -5.344 -3.704 1.00 0.78 C ATOM 0 H PHE A 239 5.424 -3.250 -4.857 1.00 0.24 H new ATOM 0 HA PHE A 239 5.472 -6.025 -5.625 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.516 -4.627 -2.948 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.575 -6.365 -3.160 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.518 -6.608 -5.395 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.545 -4.120 -1.952 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.973 -6.600 -5.419 1.00 0.71 H new ATOM 0 HE2 PHE A 239 9.997 -4.086 -1.988 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.217 -5.339 -3.715 1.00 0.78 H new ATOM 296 N TYR A 240 3.199 -6.736 -4.510 1.00 0.22 N ATOM 297 CA TYR A 240 1.864 -7.015 -4.106 1.00 0.21 C ATOM 298 C TYR A 240 1.928 -7.014 -2.621 1.00 0.19 C ATOM 299 O TYR A 240 3.020 -7.065 -2.062 1.00 0.23 O ATOM 300 CB TYR A 240 1.389 -8.374 -4.629 1.00 0.24 C ATOM 301 CG TYR A 240 0.297 -8.324 -5.680 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.152 -7.121 -6.204 1.00 0.43 C ATOM 303 CD2 TYR A 240 -0.305 -9.494 -6.130 1.00 0.64 C ATOM 304 CE1 TYR A 240 -1.160 -7.084 -7.139 1.00 0.57 C ATOM 305 CE2 TYR A 240 -1.313 -9.462 -7.075 1.00 0.79 C ATOM 306 CZ TYR A 240 -1.737 -8.253 -7.575 1.00 0.69 C ATOM 307 OH TYR A 240 -2.748 -8.207 -8.509 1.00 0.88 O ATOM 0 H TYR A 240 3.781 -7.558 -4.672 1.00 0.22 H new ATOM 0 HA TYR A 240 1.155 -6.286 -4.500 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.246 -8.903 -5.046 1.00 0.24 H new ATOM 0 HB3 TYR A 240 1.030 -8.963 -3.785 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.298 -6.197 -5.872 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.021 -10.444 -5.734 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.498 -6.136 -7.531 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -1.765 -10.381 -7.419 1.00 0.79 H new ATOM 0 HH TYR A 240 -3.048 -9.118 -8.712 1.00 0.88 H new ATOM 317 N ALA A 241 0.827 -6.897 -1.969 1.00 0.14 N ATOM 318 CA ALA A 241 0.858 -6.985 -0.557 1.00 0.15 C ATOM 319 C ALA A 241 -0.442 -7.450 0.005 1.00 0.11 C ATOM 320 O ALA A 241 -1.484 -6.879 -0.244 1.00 0.12 O ATOM 321 CB ALA A 241 1.289 -5.668 0.057 1.00 0.24 C ATOM 0 H ALA A 241 -0.092 -6.743 -2.384 1.00 0.14 H new ATOM 0 HA ALA A 241 1.600 -7.739 -0.294 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.305 -5.761 1.143 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.286 -5.409 -0.300 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.586 -4.886 -0.230 1.00 0.24 H new ATOM 327 N ARG A 242 -0.369 -8.481 0.789 1.00 0.10 N ATOM 328 CA ARG A 242 -1.549 -9.032 1.375 1.00 0.08 C ATOM 329 C ARG A 242 -1.968 -8.160 2.539 1.00 0.08 C ATOM 330 O ARG A 242 -1.378 -8.208 3.614 1.00 0.11 O ATOM 331 CB ARG A 242 -1.268 -10.437 1.854 1.00 0.10 C ATOM 332 CG ARG A 242 -2.421 -11.096 2.606 1.00 0.10 C ATOM 333 CD ARG A 242 -3.493 -11.607 1.668 1.00 0.11 C ATOM 334 NE ARG A 242 -2.948 -12.463 0.619 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.649 -12.887 -0.427 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.933 -12.567 -0.541 1.00 0.51 N ATOM 337 NH2 ARG A 242 -3.071 -13.645 -1.348 1.00 0.43 N ATOM 0 H ARG A 242 0.498 -8.958 1.038 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.351 -9.067 0.638 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -1.012 -11.055 0.994 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.393 -10.417 2.503 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.038 -11.923 3.203 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.859 -10.378 3.299 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.237 -12.164 2.238 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -4.008 -10.761 1.213 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.973 -12.752 0.693 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.382 -11.995 0.175 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.470 -12.893 -1.344 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -2.089 -13.903 -1.253 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.609 -13.971 -2.151 1.00 0.43 H new ATOM 351 N VAL A 243 -2.973 -7.352 2.309 1.00 0.07 N ATOM 352 CA VAL A 243 -3.471 -6.458 3.307 1.00 0.08 C ATOM 353 C VAL A 243 -4.012 -7.259 4.473 1.00 0.11 C ATOM 354 O VAL A 243 -4.554 -8.337 4.281 1.00 0.14 O ATOM 355 CB VAL A 243 -4.572 -5.558 2.715 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.692 -6.380 2.121 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.125 -4.656 3.776 1.00 0.18 C ATOM 0 H VAL A 243 -3.466 -7.301 1.418 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.660 -5.819 3.657 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.123 -4.961 1.921 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.453 -5.716 1.712 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.297 -7.013 1.326 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.135 -7.005 2.896 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -5.903 -4.024 3.347 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.549 -5.257 4.580 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.326 -4.030 4.174 1.00 0.18 H new ATOM 367 N ILE A 244 -3.838 -6.758 5.679 1.00 0.12 N ATOM 368 CA ILE A 244 -4.339 -7.478 6.842 1.00 0.16 C ATOM 369 C ILE A 244 -5.141 -6.586 7.739 1.00 0.13 C ATOM 370 O ILE A 244 -5.540 -7.000 8.816 1.00 0.17 O ATOM 371 CB ILE A 244 -3.252 -8.105 7.718 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.175 -7.070 8.027 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.706 -9.342 7.063 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.471 -7.285 9.348 1.00 0.61 C ATOM 0 H ILE A 244 -3.366 -5.877 5.882 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.945 -8.272 6.406 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.677 -8.418 8.671 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.435 -7.082 7.227 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.628 -6.079 8.027 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -1.934 -9.778 7.696 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.510 -10.064 6.922 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.278 -9.082 6.095 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.721 -6.507 9.491 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.198 -7.242 10.159 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -0.986 -8.261 9.347 1.00 0.61 H new ATOM 386 N GLN A 245 -5.332 -5.362 7.307 1.00 0.11 N ATOM 387 CA GLN A 245 -6.181 -4.416 8.018 1.00 0.12 C ATOM 388 C GLN A 245 -6.381 -3.197 7.166 1.00 0.11 C ATOM 389 O GLN A 245 -5.513 -2.336 7.050 1.00 0.12 O ATOM 390 CB GLN A 245 -5.614 -4.015 9.387 1.00 0.15 C ATOM 391 CG GLN A 245 -6.095 -4.870 10.542 1.00 0.21 C ATOM 392 CD GLN A 245 -5.942 -4.179 11.883 1.00 0.33 C ATOM 393 OE1 GLN A 245 -5.061 -3.338 12.063 1.00 1.05 O ATOM 394 NE2 GLN A 245 -6.787 -4.536 12.837 1.00 1.20 N ATOM 0 H GLN A 245 -4.909 -4.988 6.458 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.134 -4.909 8.209 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.526 -4.064 9.344 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.879 -2.976 9.586 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.143 -5.127 10.387 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.536 -5.806 10.554 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.503 -5.237 12.648 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -6.722 -4.110 13.762 1.00 1.20 H new ATOM 403 N LYS A 246 -7.493 -3.182 6.499 1.00 0.12 N ATOM 404 CA LYS A 246 -7.877 -2.062 5.698 1.00 0.12 C ATOM 405 C LYS A 246 -9.352 -1.809 5.920 1.00 0.15 C ATOM 406 O LYS A 246 -10.052 -2.654 6.489 1.00 0.19 O ATOM 407 CB LYS A 246 -7.526 -2.374 4.261 1.00 0.12 C ATOM 408 CG LYS A 246 -7.203 -1.186 3.346 1.00 0.13 C ATOM 409 CD LYS A 246 -5.864 -1.395 2.667 1.00 0.14 C ATOM 410 CE LYS A 246 -4.751 -0.905 3.523 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.427 -1.077 2.866 1.00 0.21 N ATOM 0 H LYS A 246 -8.163 -3.951 6.495 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.350 -1.147 5.969 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.667 -3.044 4.261 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.359 -2.923 3.821 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.985 -1.073 2.596 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.184 -0.265 3.928 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.723 -2.454 2.451 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.851 -0.871 1.711 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.907 0.149 3.753 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.758 -1.443 4.471 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.680 -0.708 3.488 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.258 -2.087 2.684 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.416 -0.557 1.966 1.00 0.21 H new ATOM 425 N ARG A 247 -9.813 -0.667 5.504 1.00 0.16 N ATOM 426 CA ARG A 247 -11.189 -0.303 5.664 1.00 0.16 C ATOM 427 C ARG A 247 -11.871 -0.527 4.337 1.00 0.14 C ATOM 428 O ARG A 247 -11.192 -0.802 3.351 1.00 0.14 O ATOM 429 CB ARG A 247 -11.291 1.161 6.089 1.00 0.17 C ATOM 430 CG ARG A 247 -11.039 2.154 4.965 1.00 0.18 C ATOM 431 CD ARG A 247 -11.059 3.595 5.454 1.00 0.23 C ATOM 432 NE ARG A 247 -12.419 4.083 5.661 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.907 5.190 5.102 1.00 0.63 C ATOM 434 NH1 ARG A 247 -12.124 5.980 4.375 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.175 5.519 5.291 1.00 0.63 N ATOM 0 H ARG A 247 -9.243 0.041 5.042 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.668 -0.905 6.436 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.284 1.340 6.501 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.575 1.346 6.890 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -10.074 1.942 4.505 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.796 2.024 4.192 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.501 3.669 6.388 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.552 4.231 4.729 1.00 0.23 H new ATOM 0 HE ARG A 247 -13.034 3.544 6.271 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -11.141 5.741 4.241 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -12.506 6.825 3.951 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.776 4.926 5.863 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.551 6.366 4.864 1.00 0.63 H new ATOM 449 N VAL A 248 -13.186 -0.496 4.296 1.00 0.15 N ATOM 450 CA VAL A 248 -13.849 -0.389 3.028 1.00 0.15 C ATOM 451 C VAL A 248 -14.203 1.071 2.763 1.00 0.14 C ATOM 452 O VAL A 248 -15.228 1.583 3.219 1.00 0.16 O ATOM 453 CB VAL A 248 -15.085 -1.302 2.925 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.989 -0.850 1.795 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.644 -2.735 2.693 1.00 0.21 C ATOM 0 H VAL A 248 -13.800 -0.543 5.109 1.00 0.15 H new ATOM 0 HA VAL A 248 -13.162 -0.737 2.256 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.643 -1.242 3.859 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.857 -1.507 1.738 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.320 0.172 1.980 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.442 -0.889 0.853 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.521 -3.378 2.621 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -14.073 -2.794 1.767 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -14.021 -3.063 3.525 1.00 0.21 H new ATOM 465 N PRO A 249 -13.292 1.780 2.090 1.00 0.13 N ATOM 466 CA PRO A 249 -13.501 3.099 1.604 1.00 0.15 C ATOM 467 C PRO A 249 -13.831 3.060 0.122 1.00 0.16 C ATOM 468 O PRO A 249 -14.484 2.134 -0.360 1.00 0.17 O ATOM 469 CB PRO A 249 -12.132 3.748 1.830 1.00 0.16 C ATOM 470 CG PRO A 249 -11.146 2.616 1.839 1.00 0.14 C ATOM 471 CD PRO A 249 -11.949 1.362 1.748 1.00 0.13 C ATOM 0 HA PRO A 249 -14.322 3.627 2.089 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.902 4.462 1.040 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -12.109 4.296 2.772 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.454 2.696 1.001 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.547 2.629 2.750 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.907 0.933 0.747 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.580 0.601 2.436 1.00 0.13 H new ATOM 479 N ASN A 250 -13.365 4.057 -0.583 1.00 0.17 N ATOM 480 CA ASN A 250 -13.385 4.065 -2.028 1.00 0.20 C ATOM 481 C ASN A 250 -12.394 5.098 -2.519 1.00 0.21 C ATOM 482 O ASN A 250 -11.762 5.789 -1.719 1.00 0.19 O ATOM 483 CB ASN A 250 -14.778 4.363 -2.594 1.00 0.24 C ATOM 484 CG ASN A 250 -15.440 5.554 -1.933 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.195 6.691 -2.309 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.299 5.302 -0.960 1.00 1.28 N ATOM 0 H ASN A 250 -12.957 4.895 -0.170 1.00 0.17 H new ATOM 0 HA ASN A 250 -13.111 3.070 -2.378 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.698 4.547 -3.665 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.412 3.485 -2.468 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.783 6.070 -0.496 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.477 4.339 -0.674 1.00 1.28 H new ATOM 493 N ALA A 251 -12.252 5.205 -3.823 1.00 0.26 N ATOM 494 CA ALA A 251 -11.289 6.126 -4.400 1.00 0.31 C ATOM 495 C ALA A 251 -11.768 7.570 -4.314 1.00 0.37 C ATOM 496 O ALA A 251 -11.008 8.506 -4.554 1.00 0.42 O ATOM 497 CB ALA A 251 -10.986 5.739 -5.836 1.00 0.39 C ATOM 0 H ALA A 251 -12.789 4.668 -4.504 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.370 6.057 -3.818 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.263 6.438 -6.256 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.573 4.730 -5.862 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -11.904 5.770 -6.423 1.00 0.39 H new ATOM 503 N TYR A 252 -13.024 7.748 -3.980 1.00 0.39 N ATOM 504 CA TYR A 252 -13.573 9.073 -3.786 1.00 0.47 C ATOM 505 C TYR A 252 -13.289 9.534 -2.375 1.00 0.46 C ATOM 506 O TYR A 252 -13.162 10.726 -2.092 1.00 0.56 O ATOM 507 CB TYR A 252 -15.067 9.049 -4.027 1.00 0.57 C ATOM 508 CG TYR A 252 -15.449 8.628 -5.424 1.00 0.95 C ATOM 509 CD1 TYR A 252 -14.555 8.737 -6.484 1.00 1.30 C ATOM 510 CD2 TYR A 252 -16.711 8.127 -5.681 1.00 1.27 C ATOM 511 CE1 TYR A 252 -14.917 8.357 -7.762 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.082 7.741 -6.954 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.181 7.860 -7.991 1.00 1.98 C ATOM 514 OH TYR A 252 -16.549 7.483 -9.263 1.00 2.53 O ATOM 0 H TYR A 252 -13.690 6.989 -3.836 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.110 9.763 -4.492 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.530 8.369 -3.313 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.474 10.041 -3.832 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -13.563 9.125 -6.305 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.420 8.036 -4.872 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -14.213 8.449 -8.576 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.072 7.348 -7.136 1.00 1.76 H new ATOM 0 HH TYR A 252 -17.472 7.153 -9.252 1.00 2.53 H new ATOM 524 N ASP A 253 -13.184 8.556 -1.504 1.00 0.40 N ATOM 525 CA ASP A 253 -12.915 8.769 -0.117 1.00 0.43 C ATOM 526 C ASP A 253 -11.461 9.025 0.053 1.00 0.38 C ATOM 527 O ASP A 253 -10.718 8.116 0.432 1.00 0.34 O ATOM 528 CB ASP A 253 -13.198 7.488 0.616 1.00 0.44 C ATOM 529 CG ASP A 253 -13.977 7.656 1.909 1.00 0.56 C ATOM 530 OD1 ASP A 253 -13.342 7.822 2.970 1.00 0.88 O ATOM 531 OD2 ASP A 253 -15.223 7.588 1.874 1.00 0.80 O ATOM 0 H ASP A 253 -13.287 7.573 -1.755 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.517 9.599 0.252 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.755 6.823 -0.044 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.251 6.996 0.839 1.00 0.44 H new ATOM 536 N LYS A 254 -11.039 10.234 -0.248 1.00 0.43 N ATOM 537 CA LYS A 254 -9.676 10.634 0.011 1.00 0.41 C ATOM 538 C LYS A 254 -8.702 9.791 -0.797 1.00 0.31 C ATOM 539 O LYS A 254 -7.489 9.907 -0.636 1.00 0.28 O ATOM 540 CB LYS A 254 -9.439 10.451 1.502 1.00 0.45 C ATOM 541 CG LYS A 254 -10.496 11.160 2.308 1.00 0.60 C ATOM 542 CD LYS A 254 -10.427 10.838 3.788 1.00 0.74 C ATOM 543 CE LYS A 254 -11.201 9.568 4.119 1.00 0.79 C ATOM 544 NZ LYS A 254 -11.208 9.286 5.580 1.00 1.32 N ATOM 0 H LYS A 254 -11.621 10.956 -0.672 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.515 11.671 -0.283 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.442 9.389 1.747 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.455 10.837 1.767 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -10.389 12.236 2.170 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.480 10.886 1.928 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -9.386 10.719 4.088 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.831 11.672 4.362 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -12.227 9.665 3.763 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.758 8.725 3.589 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -11.745 8.414 5.763 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -10.231 9.168 5.915 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -11.654 10.079 6.084 1.00 1.32 H new ATOM 558 N THR A 255 -9.271 8.968 -1.679 1.00 0.28 N ATOM 559 CA THR A 255 -8.592 7.869 -2.314 1.00 0.22 C ATOM 560 C THR A 255 -8.070 6.964 -1.233 1.00 0.15 C ATOM 561 O THR A 255 -7.001 7.187 -0.668 1.00 0.14 O ATOM 562 CB THR A 255 -7.471 8.243 -3.331 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.890 9.520 -3.049 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.009 8.234 -4.752 1.00 0.55 C ATOM 0 H THR A 255 -10.244 9.061 -1.970 1.00 0.28 H new ATOM 0 HA THR A 255 -9.329 7.371 -2.944 1.00 0.22 H new ATOM 0 HB THR A 255 -6.692 7.488 -3.231 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.608 9.551 -2.111 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.210 8.498 -5.445 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.385 7.239 -4.993 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.819 8.958 -4.839 1.00 0.55 H new ATOM 572 N ALA A 256 -8.929 6.051 -0.837 1.00 0.13 N ATOM 573 CA ALA A 256 -8.565 5.011 0.086 1.00 0.11 C ATOM 574 C ALA A 256 -8.822 3.610 -0.512 1.00 0.10 C ATOM 575 O ALA A 256 -9.577 3.465 -1.473 1.00 0.12 O ATOM 576 CB ALA A 256 -9.286 5.221 1.399 1.00 0.13 C ATOM 0 H ALA A 256 -9.899 6.013 -1.149 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.493 5.064 0.279 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -9.008 4.431 2.097 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -9.007 6.189 1.816 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.363 5.195 1.231 1.00 0.13 H new ATOM 582 N LEU A 257 -8.213 2.584 0.087 1.00 0.10 N ATOM 583 CA LEU A 257 -8.245 1.210 -0.452 1.00 0.09 C ATOM 584 C LEU A 257 -9.389 0.395 0.078 1.00 0.09 C ATOM 585 O LEU A 257 -9.435 0.098 1.269 1.00 0.11 O ATOM 586 CB LEU A 257 -6.956 0.466 -0.094 1.00 0.11 C ATOM 587 CG LEU A 257 -5.738 0.852 -0.887 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.123 1.252 -2.287 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.982 1.970 -0.212 1.00 0.21 C ATOM 0 H LEU A 257 -7.685 2.675 0.955 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.360 1.321 -1.530 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.746 0.630 0.963 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.127 -0.603 -0.223 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.083 -0.018 -0.939 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.229 1.528 -2.846 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.616 0.415 -2.782 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.803 2.103 -2.248 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.106 2.228 -0.807 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.629 2.843 -0.120 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.664 1.648 0.780 1.00 0.21 H new ATOM 601 N ALA A 258 -10.272 -0.033 -0.812 1.00 0.10 N ATOM 602 CA ALA A 258 -11.398 -0.834 -0.395 1.00 0.11 C ATOM 603 C ALA A 258 -11.070 -2.284 -0.453 1.00 0.11 C ATOM 604 O ALA A 258 -11.230 -2.947 -1.477 1.00 0.14 O ATOM 605 CB ALA A 258 -12.594 -0.552 -1.250 1.00 0.14 C ATOM 0 H ALA A 258 -10.227 0.161 -1.812 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.629 -0.569 0.637 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.431 -1.166 -0.919 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.861 0.501 -1.166 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.362 -0.786 -2.289 1.00 0.14 H new ATOM 611 N LEU A 259 -10.635 -2.769 0.667 1.00 0.10 N ATOM 612 CA LEU A 259 -10.306 -4.158 0.805 1.00 0.12 C ATOM 613 C LEU A 259 -10.390 -4.582 2.254 1.00 0.12 C ATOM 614 O LEU A 259 -10.477 -3.745 3.153 1.00 0.12 O ATOM 615 CB LEU A 259 -8.911 -4.430 0.254 1.00 0.14 C ATOM 616 CG LEU A 259 -8.030 -3.191 0.127 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.629 -3.499 0.563 1.00 0.49 C ATOM 618 CD2 LEU A 259 -8.025 -2.671 -1.288 1.00 0.55 C ATOM 0 H LEU A 259 -10.497 -2.216 1.513 1.00 0.10 H new ATOM 0 HA LEU A 259 -11.027 -4.741 0.232 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.412 -5.151 0.902 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -9.006 -4.895 -0.727 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.444 -2.419 0.775 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -6.013 -2.605 0.466 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.635 -3.825 1.603 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.219 -4.291 -0.063 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.389 -1.788 -1.349 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.641 -3.441 -1.957 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.041 -2.408 -1.582 1.00 0.55 H new ATOM 630 N GLU A 260 -10.353 -5.877 2.476 1.00 0.15 N ATOM 631 CA GLU A 260 -10.483 -6.414 3.815 1.00 0.16 C ATOM 632 C GLU A 260 -9.143 -6.936 4.298 1.00 0.15 C ATOM 633 O GLU A 260 -8.187 -7.037 3.540 1.00 0.16 O ATOM 634 CB GLU A 260 -11.538 -7.537 3.833 1.00 0.21 C ATOM 635 CG GLU A 260 -11.490 -8.450 5.052 1.00 0.23 C ATOM 636 CD GLU A 260 -12.799 -8.491 5.808 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.852 -8.217 5.201 1.00 0.75 O ATOM 638 OE2 GLU A 260 -12.778 -8.787 7.021 1.00 0.92 O ATOM 0 H GLU A 260 -10.234 -6.580 1.746 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.809 -5.620 4.487 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.528 -7.085 3.776 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.413 -8.146 2.937 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.228 -9.459 4.734 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.700 -8.112 5.722 1.00 0.23 H new ATOM 645 N VAL A 261 -9.065 -7.191 5.572 1.00 0.16 N ATOM 646 CA VAL A 261 -8.019 -8.008 6.128 1.00 0.16 C ATOM 647 C VAL A 261 -7.887 -9.337 5.382 1.00 0.17 C ATOM 648 O VAL A 261 -8.845 -10.104 5.292 1.00 0.21 O ATOM 649 CB VAL A 261 -8.350 -8.314 7.581 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.333 -9.282 8.167 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.436 -7.019 8.344 1.00 0.18 C ATOM 0 H VAL A 261 -9.728 -6.837 6.261 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.081 -7.459 6.039 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.318 -8.810 7.655 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.585 -9.490 9.207 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.346 -10.212 7.598 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.338 -8.839 8.117 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.673 -7.227 9.387 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.480 -6.498 8.286 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.217 -6.393 7.912 1.00 0.18 H new ATOM 661 N GLY A 262 -6.706 -9.601 4.854 1.00 0.17 N ATOM 662 CA GLY A 262 -6.446 -10.867 4.212 1.00 0.18 C ATOM 663 C GLY A 262 -6.612 -10.777 2.728 1.00 0.17 C ATOM 664 O GLY A 262 -6.459 -11.757 1.996 1.00 0.19 O ATOM 0 H GLY A 262 -5.917 -8.955 4.859 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.433 -11.193 4.446 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.124 -11.623 4.609 1.00 0.18 H new ATOM 668 N GLU A 263 -6.963 -9.598 2.295 1.00 0.16 N ATOM 669 CA GLU A 263 -7.083 -9.285 0.902 1.00 0.17 C ATOM 670 C GLU A 263 -5.731 -8.850 0.369 1.00 0.13 C ATOM 671 O GLU A 263 -4.708 -9.177 0.947 1.00 0.11 O ATOM 672 CB GLU A 263 -8.151 -8.223 0.822 1.00 0.18 C ATOM 673 CG GLU A 263 -9.414 -8.734 1.481 1.00 0.21 C ATOM 674 CD GLU A 263 -10.414 -9.307 0.504 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.263 -10.487 0.111 1.00 0.75 O ATOM 676 OE2 GLU A 263 -11.353 -8.579 0.115 1.00 0.84 O ATOM 0 H GLU A 263 -7.177 -8.815 2.913 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.375 -10.131 0.280 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.812 -7.312 1.316 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.348 -7.967 -0.219 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.150 -9.500 2.210 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.882 -7.918 2.032 1.00 0.21 H new ATOM 683 N LEU A 264 -5.705 -8.116 -0.701 1.00 0.17 N ATOM 684 CA LEU A 264 -4.437 -7.760 -1.316 1.00 0.18 C ATOM 685 C LEU A 264 -4.469 -6.309 -1.769 1.00 0.17 C ATOM 686 O LEU A 264 -5.512 -5.767 -2.138 1.00 0.31 O ATOM 687 CB LEU A 264 -4.231 -8.720 -2.478 1.00 0.48 C ATOM 688 CG LEU A 264 -2.858 -8.841 -3.181 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.392 -7.548 -3.792 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.793 -9.367 -2.255 1.00 0.83 C ATOM 0 H LEU A 264 -6.532 -7.749 -1.172 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.606 -7.846 -0.616 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.494 -9.715 -2.120 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.959 -8.454 -3.244 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.016 -9.557 -3.988 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.424 -7.699 -4.269 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -3.116 -7.216 -4.536 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.298 -6.791 -3.014 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.846 -9.435 -2.791 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.682 -8.691 -1.407 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.079 -10.356 -1.896 1.00 0.83 H new ATOM 702 N VAL A 265 -3.309 -5.709 -1.721 1.00 0.19 N ATOM 703 CA VAL A 265 -3.110 -4.328 -2.046 1.00 0.19 C ATOM 704 C VAL A 265 -1.721 -4.167 -2.668 1.00 0.24 C ATOM 705 O VAL A 265 -0.801 -4.850 -2.274 1.00 0.47 O ATOM 706 CB VAL A 265 -3.245 -3.490 -0.759 1.00 0.16 C ATOM 707 CG1 VAL A 265 -2.066 -3.649 0.149 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.389 -2.046 -1.025 1.00 0.27 C ATOM 0 H VAL A 265 -2.451 -6.187 -1.445 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.855 -3.983 -2.763 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.149 -3.872 -0.284 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.209 -3.039 1.041 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.967 -4.696 0.437 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.162 -3.328 -0.369 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.480 -1.509 -0.081 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.513 -1.686 -1.564 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.281 -1.874 -1.627 1.00 0.27 H new ATOM 718 N LYS A 266 -1.564 -3.296 -3.641 1.00 0.14 N ATOM 719 CA LYS A 266 -0.299 -3.209 -4.365 1.00 0.15 C ATOM 720 C LYS A 266 0.224 -1.808 -4.392 1.00 0.32 C ATOM 721 O LYS A 266 -0.341 -0.942 -5.038 1.00 0.74 O ATOM 722 CB LYS A 266 -0.474 -3.695 -5.792 1.00 0.26 C ATOM 723 CG LYS A 266 0.814 -3.629 -6.617 1.00 0.42 C ATOM 724 CD LYS A 266 0.692 -2.752 -7.856 1.00 0.57 C ATOM 725 CE LYS A 266 -0.696 -2.840 -8.480 1.00 0.96 C ATOM 726 NZ LYS A 266 -0.734 -2.322 -9.873 1.00 1.84 N ATOM 0 H LYS A 266 -2.282 -2.642 -3.952 1.00 0.14 H new ATOM 0 HA LYS A 266 0.418 -3.841 -3.840 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.835 -4.723 -5.776 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.242 -3.095 -6.281 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.620 -3.249 -5.989 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.095 -4.638 -6.921 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.906 -1.717 -7.590 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.440 -3.054 -8.590 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -1.027 -3.878 -8.474 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -1.401 -2.277 -7.868 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -1.518 -1.646 -9.971 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 0.164 -1.844 -10.090 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 -0.874 -3.113 -10.534 1.00 1.84 H new ATOM 740 N VAL A 267 1.346 -1.589 -3.766 1.00 0.14 N ATOM 741 CA VAL A 267 1.789 -0.246 -3.596 1.00 0.16 C ATOM 742 C VAL A 267 2.660 0.177 -4.765 1.00 0.20 C ATOM 743 O VAL A 267 3.762 -0.335 -4.991 1.00 0.23 O ATOM 744 CB VAL A 267 2.467 -0.018 -2.250 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.759 -0.798 -2.143 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.655 1.465 -2.037 1.00 0.22 C ATOM 0 H VAL A 267 1.954 -2.309 -3.375 1.00 0.14 H new ATOM 0 HA VAL A 267 0.908 0.395 -3.588 1.00 0.16 H new ATOM 0 HB VAL A 267 1.831 -0.396 -1.450 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.216 -0.613 -1.171 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.551 -1.863 -2.249 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.442 -0.481 -2.932 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.140 1.636 -1.076 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.277 1.871 -2.834 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.684 1.960 -2.047 1.00 0.22 H new ATOM 756 N THR A 268 2.102 1.119 -5.490 1.00 0.21 N ATOM 757 CA THR A 268 2.558 1.540 -6.780 1.00 0.24 C ATOM 758 C THR A 268 2.842 3.041 -6.808 1.00 0.24 C ATOM 759 O THR A 268 3.409 3.558 -7.768 1.00 0.35 O ATOM 760 CB THR A 268 1.431 1.253 -7.780 1.00 0.26 C ATOM 761 OG1 THR A 268 1.769 1.734 -9.089 1.00 0.31 O ATOM 762 CG2 THR A 268 0.131 1.905 -7.287 1.00 0.24 C ATOM 0 H THR A 268 1.279 1.632 -5.175 1.00 0.21 H new ATOM 0 HA THR A 268 3.478 1.009 -7.025 1.00 0.24 H new ATOM 0 HB THR A 268 1.290 0.174 -7.849 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.382 2.495 -9.010 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.670 1.701 -7.997 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.135 1.495 -6.313 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.274 2.982 -7.201 1.00 0.24 H new ATOM 770 N LYS A 269 2.419 3.742 -5.769 1.00 0.20 N ATOM 771 CA LYS A 269 2.452 5.182 -5.772 1.00 0.23 C ATOM 772 C LYS A 269 3.438 5.662 -4.735 1.00 0.28 C ATOM 773 O LYS A 269 3.139 5.696 -3.552 1.00 0.45 O ATOM 774 CB LYS A 269 1.070 5.737 -5.434 1.00 0.25 C ATOM 775 CG LYS A 269 0.945 7.250 -5.565 1.00 0.49 C ATOM 776 CD LYS A 269 1.223 7.734 -6.977 1.00 0.59 C ATOM 777 CE LYS A 269 2.531 8.506 -7.053 1.00 0.49 C ATOM 778 NZ LYS A 269 2.818 8.984 -8.433 1.00 1.40 N ATOM 0 H LYS A 269 2.049 3.329 -4.913 1.00 0.20 H new ATOM 0 HA LYS A 269 2.750 5.528 -6.762 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.334 5.267 -6.087 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.818 5.452 -4.413 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.059 7.556 -5.270 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.640 7.730 -4.876 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.263 6.881 -7.654 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.404 8.370 -7.313 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.488 9.359 -6.376 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.348 7.869 -6.713 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 3.718 9.505 -8.440 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 2.885 8.169 -9.076 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.052 9.612 -8.749 1.00 1.40 H new ATOM 792 N ILE A 270 4.614 6.024 -5.161 1.00 0.31 N ATOM 793 CA ILE A 270 5.570 6.563 -4.230 1.00 0.34 C ATOM 794 C ILE A 270 5.493 8.088 -4.209 1.00 0.38 C ATOM 795 O ILE A 270 5.989 8.766 -5.108 1.00 0.42 O ATOM 796 CB ILE A 270 7.014 6.095 -4.518 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.124 5.373 -5.869 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.494 5.178 -3.403 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.882 6.244 -7.085 1.00 1.44 C ATOM 0 H ILE A 270 4.933 5.959 -6.128 1.00 0.31 H new ATOM 0 HA ILE A 270 5.306 6.177 -3.245 1.00 0.34 H new ATOM 0 HB ILE A 270 7.645 6.983 -4.564 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.118 4.933 -5.948 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.409 4.550 -5.883 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.513 4.852 -3.613 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.473 5.716 -2.455 1.00 0.61 H new ATOM 0 HG23 ILE A 270 6.840 4.308 -3.341 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.982 5.643 -7.989 1.00 1.44 H new ATOM 0 HD12 ILE A 270 5.877 6.664 -7.038 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.612 7.053 -7.104 1.00 1.44 H new ATOM 811 N ASN A 271 4.843 8.606 -3.176 1.00 0.40 N ATOM 812 CA ASN A 271 4.683 10.041 -2.979 1.00 0.47 C ATOM 813 C ASN A 271 4.898 10.405 -1.509 1.00 0.49 C ATOM 814 O ASN A 271 4.896 9.521 -0.660 1.00 0.51 O ATOM 815 CB ASN A 271 3.287 10.470 -3.438 1.00 0.52 C ATOM 816 CG ASN A 271 2.143 9.666 -2.815 1.00 0.57 C ATOM 817 OD1 ASN A 271 2.329 9.124 -1.613 1.00 0.94 O flip ATOM 818 ND2 ASN A 271 1.084 9.532 -3.421 1.00 0.46 N flip ATOM 0 H ASN A 271 4.409 8.040 -2.447 1.00 0.40 H new ATOM 0 HA ASN A 271 5.430 10.568 -3.573 1.00 0.47 H new ATOM 0 HB2 ASN A 271 3.147 11.524 -3.199 1.00 0.52 H new ATOM 0 HB3 ASN A 271 3.230 10.379 -4.523 1.00 0.52 H new ATOM 0 HD21 ASN A 271 0.965 9.957 -4.341 1.00 0.46 H new ATOM 0 HD22 ASN A 271 0.323 8.996 -3.005 1.00 0.46 H new ATOM 825 N MET A 272 5.027 11.705 -1.206 1.00 0.55 N ATOM 826 CA MET A 272 5.303 12.196 0.167 1.00 0.61 C ATOM 827 C MET A 272 6.473 11.436 0.824 1.00 0.57 C ATOM 828 O MET A 272 7.261 10.785 0.134 1.00 0.59 O ATOM 829 CB MET A 272 4.031 12.214 1.066 1.00 0.78 C ATOM 830 CG MET A 272 3.023 11.101 0.815 1.00 0.63 C ATOM 831 SD MET A 272 1.602 11.156 1.929 1.00 0.77 S ATOM 832 CE MET A 272 0.599 9.816 1.268 1.00 0.59 C ATOM 0 H MET A 272 4.945 12.450 -1.898 1.00 0.55 H new ATOM 0 HA MET A 272 5.615 13.236 0.067 1.00 0.61 H new ATOM 0 HB2 MET A 272 4.346 12.164 2.108 1.00 0.78 H new ATOM 0 HB3 MET A 272 3.527 13.171 0.930 1.00 0.78 H new ATOM 0 HG2 MET A 272 2.671 11.165 -0.215 1.00 0.63 H new ATOM 0 HG3 MET A 272 3.522 10.138 0.922 1.00 0.63 H new ATOM 0 HE1 MET A 272 -0.221 10.230 0.681 1.00 0.59 H new ATOM 0 HE2 MET A 272 1.215 9.180 0.632 1.00 0.59 H new ATOM 0 HE3 MET A 272 0.195 9.225 2.090 1.00 0.59 H new ATOM 842 N SER A 273 6.631 11.556 2.141 1.00 0.68 N ATOM 843 CA SER A 273 7.806 11.023 2.810 1.00 0.75 C ATOM 844 C SER A 273 7.468 10.211 4.069 1.00 0.85 C ATOM 845 O SER A 273 8.276 10.135 4.999 1.00 1.04 O ATOM 846 CB SER A 273 8.701 12.200 3.175 1.00 0.89 C ATOM 847 OG SER A 273 7.925 13.329 3.558 1.00 1.24 O ATOM 0 H SER A 273 5.962 12.015 2.759 1.00 0.68 H new ATOM 0 HA SER A 273 8.305 10.331 2.132 1.00 0.75 H new ATOM 0 HB2 SER A 273 9.366 11.917 3.991 1.00 0.89 H new ATOM 0 HB3 SER A 273 9.332 12.459 2.325 1.00 0.89 H new ATOM 0 HG SER A 273 8.521 14.072 3.790 1.00 1.24 H new ATOM 853 N GLY A 274 6.301 9.580 4.093 1.00 0.80 N ATOM 854 CA GLY A 274 5.900 8.836 5.283 1.00 0.97 C ATOM 855 C GLY A 274 4.838 7.813 4.983 1.00 0.85 C ATOM 856 O GLY A 274 4.874 6.698 5.479 1.00 1.00 O ATOM 0 H GLY A 274 5.630 9.566 3.325 1.00 0.80 H new ATOM 0 HA2 GLY A 274 6.771 8.338 5.709 1.00 0.97 H new ATOM 0 HA3 GLY A 274 5.530 9.531 6.036 1.00 0.97 H new ATOM 860 N GLN A 275 3.874 8.199 4.187 1.00 0.69 N ATOM 861 CA GLN A 275 2.839 7.288 3.757 1.00 0.58 C ATOM 862 C GLN A 275 2.761 7.334 2.252 1.00 0.47 C ATOM 863 O GLN A 275 3.177 8.314 1.646 1.00 0.48 O ATOM 864 CB GLN A 275 1.514 7.672 4.409 1.00 0.64 C ATOM 865 CG GLN A 275 1.601 7.793 5.933 1.00 0.79 C ATOM 866 CD GLN A 275 1.537 6.465 6.674 1.00 1.11 C ATOM 867 OE1 GLN A 275 2.253 5.463 6.193 1.00 1.87 O flip ATOM 868 NE2 GLN A 275 0.906 6.367 7.728 1.00 1.33 N flip ATOM 0 H GLN A 275 3.782 9.146 3.820 1.00 0.69 H new ATOM 0 HA GLN A 275 3.067 6.267 4.063 1.00 0.58 H new ATOM 0 HB2 GLN A 275 1.175 8.622 3.995 1.00 0.64 H new ATOM 0 HB3 GLN A 275 0.762 6.926 4.153 1.00 0.64 H new ATOM 0 HG2 GLN A 275 2.533 8.296 6.193 1.00 0.79 H new ATOM 0 HG3 GLN A 275 0.788 8.429 6.282 1.00 0.79 H new ATOM 0 HE21 GLN A 275 0.363 7.159 8.073 1.00 1.33 H new ATOM 0 HE22 GLN A 275 0.927 5.494 8.256 1.00 1.33 H new ATOM 877 N TRP A 276 2.291 6.269 1.641 1.00 0.41 N ATOM 878 CA TRP A 276 2.223 6.220 0.196 1.00 0.33 C ATOM 879 C TRP A 276 0.921 5.552 -0.218 1.00 0.23 C ATOM 880 O TRP A 276 0.115 5.178 0.641 1.00 0.22 O ATOM 881 CB TRP A 276 3.445 5.493 -0.404 1.00 0.41 C ATOM 882 CG TRP A 276 4.732 5.647 0.387 1.00 0.62 C ATOM 883 CD1 TRP A 276 5.012 5.086 1.596 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.918 6.375 0.022 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.266 5.454 2.013 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.843 6.232 1.070 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.286 7.134 -1.072 1.00 0.52 C ATOM 888 CZ2 TRP A 276 8.102 6.821 1.049 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.536 7.722 -1.101 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.434 7.562 -0.043 1.00 0.82 C ATOM 0 H TRP A 276 1.953 5.432 2.116 1.00 0.41 H new ATOM 0 HA TRP A 276 2.243 7.237 -0.195 1.00 0.33 H new ATOM 0 HB2 TRP A 276 3.212 4.431 -0.489 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.610 5.865 -1.415 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.342 4.443 2.148 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.696 5.183 2.897 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.602 7.267 -1.898 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.792 6.695 1.870 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.824 8.315 -1.956 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.405 8.033 -0.092 1.00 0.82 H new ATOM 901 N GLU A 277 0.711 5.407 -1.513 1.00 0.19 N ATOM 902 CA GLU A 277 -0.564 4.992 -2.031 1.00 0.16 C ATOM 903 C GLU A 277 -0.489 3.638 -2.644 1.00 0.19 C ATOM 904 O GLU A 277 0.444 3.326 -3.336 1.00 0.48 O ATOM 905 CB GLU A 277 -1.066 6.016 -3.032 1.00 0.15 C ATOM 906 CG GLU A 277 -1.882 7.098 -2.372 1.00 0.23 C ATOM 907 CD GLU A 277 -2.350 8.179 -3.324 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.247 7.984 -4.551 1.00 1.03 O ATOM 909 OE2 GLU A 277 -2.840 9.224 -2.845 1.00 0.92 O ATOM 0 H GLU A 277 1.420 5.574 -2.226 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.270 4.929 -1.203 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.217 6.465 -3.547 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.671 5.517 -3.789 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.752 6.645 -1.896 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.288 7.556 -1.581 1.00 0.23 H new ATOM 916 N GLY A 278 -1.468 2.831 -2.338 1.00 0.39 N ATOM 917 CA GLY A 278 -1.602 1.569 -2.958 1.00 0.34 C ATOM 918 C GLY A 278 -2.685 1.594 -3.998 1.00 0.28 C ATOM 919 O GLY A 278 -3.439 2.558 -4.110 1.00 0.32 O ATOM 0 H GLY A 278 -2.189 3.043 -1.649 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.656 1.284 -3.419 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.831 0.813 -2.207 1.00 0.34 H new ATOM 923 N GLU A 279 -2.758 0.530 -4.741 1.00 0.22 N ATOM 924 CA GLU A 279 -3.752 0.343 -5.740 1.00 0.18 C ATOM 925 C GLU A 279 -3.974 -1.137 -5.844 1.00 0.13 C ATOM 926 O GLU A 279 -3.080 -1.899 -6.207 1.00 0.14 O ATOM 927 CB GLU A 279 -3.349 0.915 -7.080 1.00 0.25 C ATOM 928 CG GLU A 279 -4.482 0.804 -8.063 1.00 0.27 C ATOM 929 CD GLU A 279 -4.295 -0.310 -9.068 1.00 0.66 C ATOM 930 OE1 GLU A 279 -3.288 -0.280 -9.803 1.00 1.08 O ATOM 931 OE2 GLU A 279 -5.151 -1.218 -9.127 1.00 0.99 O ATOM 0 H GLU A 279 -2.106 -0.251 -4.662 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.662 0.873 -5.459 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.061 1.960 -6.964 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.476 0.385 -7.461 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.412 0.640 -7.518 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.587 1.750 -8.595 1.00 0.27 H new ATOM 938 N CYS A 280 -5.133 -1.537 -5.442 1.00 0.10 N ATOM 939 CA CYS A 280 -5.445 -2.921 -5.307 1.00 0.12 C ATOM 940 C CYS A 280 -6.489 -3.335 -6.313 1.00 0.15 C ATOM 941 O CYS A 280 -7.678 -3.229 -6.037 1.00 0.19 O ATOM 942 CB CYS A 280 -5.971 -3.087 -3.916 1.00 0.17 C ATOM 943 SG CYS A 280 -5.634 -1.658 -2.901 1.00 1.52 S ATOM 0 H CYS A 280 -5.897 -0.908 -5.196 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.568 -3.543 -5.485 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.046 -3.260 -3.953 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.521 -3.970 -3.461 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.423 -1.241 -3.126 1.00 1.52 H new ATOM 949 N ASN A 281 -6.035 -3.790 -7.471 1.00 0.18 N ATOM 950 CA ASN A 281 -6.928 -4.243 -8.534 1.00 0.25 C ATOM 951 C ASN A 281 -8.134 -3.311 -8.696 1.00 0.23 C ATOM 952 O ASN A 281 -9.265 -3.763 -8.879 1.00 0.32 O ATOM 953 CB ASN A 281 -7.371 -5.685 -8.266 1.00 0.33 C ATOM 954 CG ASN A 281 -6.238 -6.676 -8.484 1.00 0.48 C ATOM 955 OD1 ASN A 281 -6.059 -7.200 -9.585 1.00 1.04 O ATOM 956 ND2 ASN A 281 -5.457 -6.934 -7.444 1.00 0.69 N ATOM 0 H ASN A 281 -5.044 -3.857 -7.702 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.379 -4.216 -9.476 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -7.735 -5.769 -7.242 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.205 -5.937 -8.922 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -4.678 -7.585 -7.540 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.635 -6.481 -6.548 1.00 0.69 H new ATOM 963 N GLY A 282 -7.875 -2.005 -8.649 1.00 0.17 N ATOM 964 CA GLY A 282 -8.920 -1.030 -8.872 1.00 0.18 C ATOM 965 C GLY A 282 -9.391 -0.295 -7.621 1.00 0.16 C ATOM 966 O GLY A 282 -10.366 0.457 -7.678 1.00 0.28 O ATOM 0 H GLY A 282 -6.955 -1.608 -8.459 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.563 -0.296 -9.594 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.775 -1.533 -9.324 1.00 0.18 H new ATOM 970 N LYS A 283 -8.712 -0.487 -6.495 1.00 0.10 N ATOM 971 CA LYS A 283 -8.859 0.439 -5.377 1.00 0.10 C ATOM 972 C LYS A 283 -7.575 1.193 -5.260 1.00 0.09 C ATOM 973 O LYS A 283 -6.515 0.630 -5.484 1.00 0.12 O ATOM 974 CB LYS A 283 -9.123 -0.197 -4.006 1.00 0.11 C ATOM 975 CG LYS A 283 -10.317 -1.134 -3.926 1.00 0.15 C ATOM 976 CD LYS A 283 -10.032 -2.481 -4.560 1.00 0.14 C ATOM 977 CE LYS A 283 -11.202 -3.421 -4.428 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.033 -4.642 -5.260 1.00 0.38 N ATOM 0 H LYS A 283 -8.066 -1.260 -6.333 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.736 1.045 -5.606 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.232 -0.749 -3.706 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.264 0.602 -3.278 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.595 -1.277 -2.882 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.171 -0.674 -4.423 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.794 -2.343 -5.615 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.154 -2.925 -4.091 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.320 -3.708 -3.383 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.116 -2.905 -4.722 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -11.860 -5.261 -5.140 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -10.946 -4.371 -6.260 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.175 -5.149 -4.963 1.00 0.38 H new ATOM 992 N ARG A 284 -7.656 2.447 -4.914 1.00 0.07 N ATOM 993 CA ARG A 284 -6.465 3.251 -4.758 1.00 0.09 C ATOM 994 C ARG A 284 -6.607 4.159 -3.568 1.00 0.11 C ATOM 995 O ARG A 284 -7.707 4.599 -3.248 1.00 0.13 O ATOM 996 CB ARG A 284 -6.191 4.067 -5.989 1.00 0.11 C ATOM 997 CG ARG A 284 -6.428 3.278 -7.240 1.00 0.20 C ATOM 998 CD ARG A 284 -5.764 3.927 -8.418 1.00 0.35 C ATOM 999 NE ARG A 284 -6.266 3.410 -9.692 1.00 0.68 N ATOM 1000 CZ ARG A 284 -6.546 4.168 -10.753 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -6.369 5.486 -10.707 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -6.999 3.601 -11.863 1.00 1.46 N ATOM 0 H ARG A 284 -8.531 2.939 -4.734 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.624 2.576 -4.603 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.829 4.951 -5.990 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.160 4.419 -5.970 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -6.044 2.266 -7.114 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.499 3.193 -7.423 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.926 5.004 -8.376 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.688 3.764 -8.361 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.411 2.404 -9.774 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -6.017 5.924 -9.856 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -6.586 6.058 -11.523 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -7.132 2.590 -11.902 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -7.215 4.176 -12.678 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.502 4.455 -2.935 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.553 5.207 -1.715 1.00 0.14 C ATOM 1018 C GLY A 285 -4.285 5.119 -0.932 1.00 0.15 C ATOM 1019 O GLY A 285 -3.332 4.564 -1.405 1.00 0.24 O ATOM 0 H GLY A 285 -4.566 4.189 -3.242 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.762 6.252 -1.945 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.379 4.844 -1.103 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.271 5.639 0.276 1.00 0.11 N ATOM 1024 CA HIS A 286 -3.052 5.709 1.047 1.00 0.12 C ATOM 1025 C HIS A 286 -3.244 5.127 2.411 1.00 0.12 C ATOM 1026 O HIS A 286 -4.243 5.392 3.075 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.579 7.157 1.156 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.689 8.168 1.113 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.678 8.266 2.074 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.984 9.095 0.178 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.538 9.209 1.722 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -5.137 9.729 0.576 1.00 0.23 N ATOM 0 H HIS A 286 -5.093 6.020 0.745 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.291 5.123 0.531 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -2.027 7.279 2.088 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.882 7.363 0.343 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.418 9.301 -0.719 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.417 9.503 2.277 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.607 10.479 0.069 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.245 4.374 2.831 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.357 3.533 4.012 1.00 0.11 C ATOM 1043 C PHE A 287 -0.979 2.991 4.403 1.00 0.15 C ATOM 1044 O PHE A 287 -0.276 2.426 3.568 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.298 2.346 3.744 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.784 2.603 3.896 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.288 3.401 4.911 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.676 2.033 3.005 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.649 3.620 5.029 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.031 2.246 3.114 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.523 3.042 4.128 1.00 0.12 C ATOM 0 H PHE A 287 -1.337 4.326 2.368 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.762 4.139 4.822 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.117 1.991 2.729 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.023 1.535 4.419 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.611 3.857 5.618 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.301 1.408 2.208 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.028 4.243 5.826 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.709 1.791 2.407 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.586 3.212 4.217 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.581 3.166 5.675 1.00 0.17 N ATOM 1062 CA PRO A 288 0.702 2.675 6.208 1.00 0.23 C ATOM 1063 C PRO A 288 0.922 1.170 6.060 1.00 0.18 C ATOM 1064 O PRO A 288 0.002 0.401 5.760 1.00 0.16 O ATOM 1065 CB PRO A 288 0.629 3.031 7.701 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.810 3.293 7.958 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.314 3.913 6.698 1.00 0.23 C ATOM 0 HA PRO A 288 1.530 3.124 5.659 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.999 2.215 8.321 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.237 3.906 7.929 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.345 2.372 8.187 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -0.945 3.960 8.809 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.393 3.800 6.591 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.100 4.981 6.655 1.00 0.23 H new ATOM 1075 N PHE A 289 2.163 0.775 6.305 1.00 0.23 N ATOM 1076 CA PHE A 289 2.567 -0.638 6.291 1.00 0.26 C ATOM 1077 C PHE A 289 2.043 -1.371 7.515 1.00 0.23 C ATOM 1078 O PHE A 289 2.082 -2.599 7.570 1.00 0.26 O ATOM 1079 CB PHE A 289 4.087 -0.759 6.280 1.00 0.38 C ATOM 1080 CG PHE A 289 4.598 -2.175 6.331 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.537 -2.989 5.222 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.145 -2.682 7.497 1.00 0.32 C ATOM 1083 CE1 PHE A 289 5.010 -4.286 5.269 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.618 -3.977 7.555 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.551 -4.781 6.437 1.00 0.26 C ATOM 0 H PHE A 289 2.924 1.419 6.520 1.00 0.23 H new ATOM 0 HA PHE A 289 2.146 -1.084 5.390 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.471 -0.279 5.380 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.489 -0.209 7.131 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.114 -2.609 4.304 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.202 -2.055 8.374 1.00 0.32 H new ATOM 0 HE1 PHE A 289 4.956 -4.912 4.391 1.00 0.26 H new ATOM 0 HE2 PHE A 289 6.039 -4.359 8.473 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.921 -5.795 6.476 1.00 0.26 H new ATOM 1095 N THR A 290 1.535 -0.611 8.477 1.00 0.24 N ATOM 1096 CA THR A 290 1.128 -1.128 9.777 1.00 0.27 C ATOM 1097 C THR A 290 0.095 -2.252 9.694 1.00 0.23 C ATOM 1098 O THR A 290 -0.355 -2.758 10.720 1.00 0.28 O ATOM 1099 CB THR A 290 0.554 0.012 10.626 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.344 0.797 9.831 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.664 0.895 11.172 1.00 0.44 C ATOM 0 H THR A 290 1.392 0.394 8.375 1.00 0.24 H new ATOM 0 HA THR A 290 2.023 -1.550 10.233 1.00 0.27 H new ATOM 0 HB THR A 290 0.016 -0.421 11.469 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.712 1.524 10.375 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.230 1.696 11.771 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.331 0.298 11.793 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.227 1.325 10.344 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.277 -2.648 8.481 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.314 -3.631 8.305 1.00 0.16 C ATOM 1111 C HIS A 291 -1.269 -4.219 6.918 1.00 0.14 C ATOM 1112 O HIS A 291 -2.313 -4.485 6.310 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.698 -3.052 8.592 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.921 -1.628 8.168 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.634 -0.638 8.755 1.00 0.40 N flip ATOM 1116 CD2 HIS A 291 -2.457 -1.106 6.980 1.00 0.94 C flip ATOM 1117 CE1 HIS A 291 -3.606 0.448 7.914 1.00 0.19 C flip ATOM 1118 NE2 HIS A 291 -2.887 0.136 6.853 1.00 0.77 N flip ATOM 0 H HIS A 291 0.129 -2.298 7.613 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.129 -4.426 9.027 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.441 -3.677 8.097 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.884 -3.124 9.664 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -4.106 -0.689 9.658 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -1.839 -1.630 6.266 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -4.091 1.397 8.092 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.069 -4.403 6.395 1.00 0.16 N ATOM 1128 CA VAL A 292 0.087 -5.204 5.198 1.00 0.15 C ATOM 1129 C VAL A 292 1.222 -6.186 5.329 1.00 0.19 C ATOM 1130 O VAL A 292 2.252 -5.927 5.948 1.00 0.22 O ATOM 1131 CB VAL A 292 0.316 -4.346 3.940 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.883 -3.485 3.669 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.547 -3.486 4.095 1.00 0.31 C ATOM 0 H VAL A 292 0.796 -4.016 6.773 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.852 -5.746 5.084 1.00 0.15 H new ATOM 0 HB VAL A 292 0.467 -5.017 3.094 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.706 -2.885 2.777 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.757 -4.117 3.513 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.058 -2.827 4.520 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.689 -2.889 3.194 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.424 -2.825 4.953 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.418 -4.122 4.249 1.00 0.31 H new ATOM 1143 N ARG A 293 0.964 -7.332 4.772 1.00 0.22 N ATOM 1144 CA ARG A 293 1.969 -8.308 4.472 1.00 0.21 C ATOM 1145 C ARG A 293 2.315 -8.008 3.048 1.00 0.32 C ATOM 1146 O ARG A 293 1.523 -7.361 2.396 1.00 0.70 O ATOM 1147 CB ARG A 293 1.356 -9.699 4.579 1.00 0.19 C ATOM 1148 CG ARG A 293 0.297 -9.775 5.654 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.593 -10.983 5.495 1.00 0.26 C ATOM 1150 NE ARG A 293 0.158 -12.238 5.492 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.400 -13.448 5.445 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -1.723 -13.582 5.425 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.369 -14.529 5.422 1.00 0.60 N ATOM 0 H ARG A 293 0.023 -7.622 4.507 1.00 0.22 H new ATOM 0 HA ARG A 293 2.832 -8.277 5.137 1.00 0.21 H new ATOM 0 HB2 ARG A 293 0.918 -9.976 3.620 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.141 -10.425 4.793 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.777 -9.806 6.632 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.312 -8.871 5.626 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.322 -11.002 6.305 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.153 -10.897 4.564 1.00 0.26 H new ATOM 0 HE ARG A 293 1.176 -12.184 5.528 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.320 -12.755 5.446 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -2.141 -14.512 5.389 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.384 -14.433 5.440 1.00 0.60 H new ATOM 0 HH22 ARG A 293 -0.055 -15.456 5.386 1.00 0.60 H new ATOM 1167 N LEU A 294 3.458 -8.371 2.552 1.00 0.18 N ATOM 1168 CA LEU A 294 3.671 -8.176 1.129 1.00 0.18 C ATOM 1169 C LEU A 294 3.859 -9.470 0.350 1.00 0.21 C ATOM 1170 O LEU A 294 3.889 -10.568 0.906 1.00 0.30 O ATOM 1171 CB LEU A 294 4.838 -7.252 0.817 1.00 0.22 C ATOM 1172 CG LEU A 294 5.099 -6.097 1.788 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.211 -5.209 1.259 1.00 0.66 C ATOM 1174 CD2 LEU A 294 3.845 -5.278 2.027 1.00 0.58 C ATOM 0 H LEU A 294 4.232 -8.786 3.072 1.00 0.18 H new ATOM 0 HA LEU A 294 2.744 -7.706 0.801 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.743 -7.858 0.763 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.677 -6.829 -0.175 1.00 0.22 H new ATOM 0 HG LEU A 294 5.405 -6.526 2.742 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.387 -4.391 1.958 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.123 -5.795 1.149 1.00 0.66 H new ATOM 0 HD13 LEU A 294 5.922 -4.802 0.290 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.067 -4.467 2.721 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.497 -4.862 1.082 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.069 -5.916 2.450 1.00 0.58 H new ATOM 1186 N LEU A 295 3.973 -9.288 -0.959 1.00 0.20 N ATOM 1187 CA LEU A 295 4.090 -10.337 -1.923 1.00 0.22 C ATOM 1188 C LEU A 295 5.177 -9.978 -2.939 1.00 0.28 C ATOM 1189 O LEU A 295 5.873 -8.972 -2.785 1.00 0.31 O ATOM 1190 CB LEU A 295 2.766 -10.446 -2.646 1.00 0.23 C ATOM 1191 CG LEU A 295 2.049 -11.784 -2.555 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.469 -11.945 -1.167 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.956 -11.880 -3.610 1.00 0.28 C ATOM 0 H LEU A 295 3.985 -8.359 -1.381 1.00 0.20 H new ATOM 0 HA LEU A 295 4.349 -11.276 -1.433 1.00 0.22 H new ATOM 0 HB2 LEU A 295 2.101 -9.676 -2.256 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.933 -10.220 -3.699 1.00 0.23 H new ATOM 0 HG LEU A 295 2.762 -12.588 -2.741 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.954 -12.903 -1.097 1.00 0.29 H new ATOM 0 HD12 LEU A 295 2.272 -11.910 -0.431 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.763 -11.138 -0.972 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.455 -12.845 -3.528 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.231 -11.081 -3.457 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.398 -11.784 -4.602 1.00 0.28 H new ATOM 1205 N ASP A 296 5.278 -10.758 -4.006 1.00 0.39 N ATOM 1206 CA ASP A 296 6.308 -10.551 -5.018 1.00 0.50 C ATOM 1207 C ASP A 296 5.700 -9.964 -6.292 1.00 0.73 C ATOM 1208 O ASP A 296 5.512 -10.664 -7.287 1.00 1.81 O ATOM 1209 CB ASP A 296 7.034 -11.869 -5.320 1.00 0.84 C ATOM 1210 CG ASP A 296 8.157 -11.713 -6.331 1.00 1.76 C ATOM 1211 OD1 ASP A 296 9.233 -11.202 -5.962 1.00 2.44 O ATOM 1212 OD2 ASP A 296 7.972 -12.118 -7.496 1.00 2.42 O ATOM 0 H ASP A 296 4.656 -11.544 -4.195 1.00 0.39 H new ATOM 0 HA ASP A 296 7.036 -9.839 -4.630 1.00 0.50 H new ATOM 0 HB2 ASP A 296 7.441 -12.273 -4.393 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.314 -12.596 -5.695 1.00 0.84 H new ATOM 1217 N GLN A 297 5.353 -8.681 -6.205 1.00 0.53 N ATOM 1218 CA GLN A 297 4.833 -7.896 -7.338 1.00 0.41 C ATOM 1219 C GLN A 297 3.701 -8.626 -8.055 1.00 0.64 C ATOM 1220 O GLN A 297 2.620 -8.776 -7.459 1.00 1.25 O ATOM 1221 CB GLN A 297 5.959 -7.601 -8.323 1.00 0.51 C ATOM 1222 CG GLN A 297 7.114 -6.884 -7.683 1.00 0.88 C ATOM 1223 CD GLN A 297 8.258 -6.618 -8.626 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.080 -6.442 -9.831 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.444 -6.581 -8.059 1.00 1.02 N ATOM 1226 OXT GLN A 297 3.899 -9.047 -9.214 1.00 1.41 O ATOM 0 H GLN A 297 5.423 -8.146 -5.339 1.00 0.53 H new ATOM 0 HA GLN A 297 4.434 -6.962 -6.942 1.00 0.41 H new ATOM 0 HB2 GLN A 297 6.312 -8.537 -8.756 1.00 0.51 H new ATOM 0 HB3 GLN A 297 5.570 -6.997 -9.143 1.00 0.51 H new ATOM 0 HG2 GLN A 297 6.762 -5.936 -7.277 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.477 -7.476 -6.843 1.00 0.88 H new ATOM 0 HE21 GLN A 297 9.534 -6.734 -7.055 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.274 -6.399 -8.624 1.00 1.02 H new TER 1235 GLN A 297