USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=18 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 290 THR OG1 : rot 180:sc= -2.62! USER MOD Set 1.2: A 291 HIS :FLIP no HE2:sc= -0.832 F(o=-5!,f=-3.5) USER MOD Set 2.1: A 269 LYS NZ :NH3+ -173:sc= -3.91! (180deg=-5.05!) USER MOD Set 2.2: A 271 ASN : amide:sc= -9.75! C(o=-14!,f=-19!) USER MOD Set 2.3: A 272 MET CE :methyl -161:sc= 0 (180deg=0) USER MOD Set 3.1: A 240 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 281 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Set 4.1: A 233 ASN :FLIP amide:sc= -2.4 F(o=-10!,f=-2.8) USER MOD Set 4.2: A 236 ASN : amide:sc= -0.406 X(o=-2.8,f=-2.9) USER MOD Set 5.1: A 224 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Set 5.2: A 228 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 229 THR OG1 : rot 54:sc= 0.197 USER MOD Single : A 235 GLN : amide:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 ASN : amide:sc= -2.77! C(o=-2.8!,f=-8.3!) 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 17:sc= 1.2 USER MOD Single : A 266 LYS NZ :NH3+ -175:sc= 1.14 (180deg=0.989) USER MOD Single : A 268 THR OG1 : rot -3:sc= 0.877 USER MOD Single : A 273 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN :FLIP amide:sc= -0.994 F(o=-3.4!,f=-0.99) USER MOD Single : A 280 CYS SG : rot -42:sc= -18.5! USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.647 K(o=-0.65,f=-2!) USER MOD Single : A 297 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 220 13.107 5.913 -0.441 1.00 4.69 N ATOM 2 CA GLY A 220 13.472 4.645 0.234 1.00 4.23 C ATOM 3 C GLY A 220 13.211 3.436 -0.642 1.00 3.74 C ATOM 4 O GLY A 220 12.090 3.252 -1.110 1.00 3.79 O ATOM 0 HA2 GLY A 220 14.526 4.672 0.509 1.00 4.23 H new ATOM 0 HA3 GLY A 220 12.904 4.551 1.159 1.00 4.23 H new ATOM 10 N PRO A 221 14.254 2.630 -0.923 1.00 3.49 N ATOM 11 CA PRO A 221 14.137 1.351 -1.646 1.00 3.23 C ATOM 12 C PRO A 221 12.926 0.496 -1.244 1.00 2.59 C ATOM 13 O PRO A 221 11.891 0.521 -1.911 1.00 2.75 O ATOM 14 CB PRO A 221 15.442 0.652 -1.258 1.00 3.34 C ATOM 15 CG PRO A 221 16.424 1.764 -1.183 1.00 3.90 C ATOM 16 CD PRO A 221 15.671 2.937 -0.611 1.00 3.80 C ATOM 0 HA PRO A 221 13.984 1.506 -2.714 1.00 3.23 H new ATOM 0 HB2 PRO A 221 15.351 0.133 -0.304 1.00 3.34 H new ATOM 0 HB3 PRO A 221 15.734 -0.092 -1.999 1.00 3.34 H new ATOM 0 HG2 PRO A 221 17.270 1.496 -0.551 1.00 3.90 H new ATOM 0 HG3 PRO A 221 16.825 1.999 -2.169 1.00 3.90 H new ATOM 0 HD2 PRO A 221 15.833 3.032 0.463 1.00 3.80 H new ATOM 0 HD3 PRO A 221 15.987 3.876 -1.066 1.00 3.80 H new ATOM 24 N TYR A 222 13.074 -0.243 -0.154 1.00 2.37 N ATOM 25 CA TYR A 222 12.069 -1.189 0.327 1.00 2.06 C ATOM 26 C TYR A 222 11.668 -0.812 1.733 1.00 2.25 C ATOM 27 O TYR A 222 12.101 0.236 2.204 1.00 2.77 O ATOM 28 CB TYR A 222 12.558 -2.644 0.255 1.00 2.28 C ATOM 29 CG TYR A 222 13.905 -2.912 0.884 1.00 2.92 C ATOM 30 CD1 TYR A 222 15.076 -2.769 0.150 1.00 3.43 C ATOM 31 CD2 TYR A 222 14.008 -3.273 2.220 1.00 3.39 C ATOM 32 CE1 TYR A 222 16.311 -2.979 0.731 1.00 4.30 C ATOM 33 CE2 TYR A 222 15.238 -3.493 2.806 1.00 4.22 C ATOM 34 CZ TYR A 222 16.377 -3.469 2.024 1.00 4.65 C ATOM 35 OH TYR A 222 17.614 -3.545 2.640 1.00 5.60 O ATOM 0 H TYR A 222 13.908 -0.204 0.432 1.00 2.37 H new ATOM 0 HA TYR A 222 11.198 -1.130 -0.326 1.00 2.06 H new ATOM 0 HB2 TYR A 222 11.818 -3.281 0.739 1.00 2.28 H new ATOM 0 HB3 TYR A 222 12.600 -2.943 -0.792 1.00 2.28 H new ATOM 0 HD1 TYR A 222 15.019 -2.489 -0.892 1.00 3.43 H new ATOM 0 HD2 TYR A 222 13.111 -3.384 2.811 1.00 3.39 H new ATOM 0 HE1 TYR A 222 17.216 -2.763 0.182 1.00 4.30 H new ATOM 0 HE2 TYR A 222 15.310 -3.682 3.867 1.00 4.22 H new ATOM 0 HH TYR A 222 17.507 -3.906 3.545 1.00 5.60 H new ATOM 45 N ALA A 223 10.771 -1.592 2.352 1.00 2.49 N ATOM 46 CA ALA A 223 10.342 -1.333 3.730 1.00 2.89 C ATOM 47 C ALA A 223 11.527 -0.841 4.558 1.00 2.33 C ATOM 48 O ALA A 223 12.647 -1.330 4.392 1.00 2.21 O ATOM 49 CB ALA A 223 9.737 -2.586 4.343 1.00 3.84 C ATOM 0 H ALA A 223 10.331 -2.405 1.920 1.00 2.49 H new ATOM 0 HA ALA A 223 9.576 -0.558 3.724 1.00 2.89 H new ATOM 0 HB1 ALA A 223 9.424 -2.376 5.366 1.00 3.84 H new ATOM 0 HB2 ALA A 223 8.873 -2.898 3.756 1.00 3.84 H new ATOM 0 HB3 ALA A 223 10.480 -3.384 4.347 1.00 3.84 H new ATOM 55 N GLN A 224 11.252 0.037 5.517 1.00 2.43 N ATOM 56 CA GLN A 224 12.163 1.137 5.838 1.00 2.08 C ATOM 57 C GLN A 224 13.633 0.729 5.897 1.00 1.83 C ATOM 58 O GLN A 224 14.077 -0.003 6.785 1.00 2.07 O ATOM 59 CB GLN A 224 11.737 1.836 7.136 1.00 2.42 C ATOM 60 CG GLN A 224 11.820 0.981 8.385 1.00 2.85 C ATOM 61 CD GLN A 224 11.312 1.714 9.609 1.00 3.37 C ATOM 62 OE1 GLN A 224 12.062 2.426 10.275 1.00 4.07 O ATOM 63 NE2 GLN A 224 10.035 1.547 9.915 1.00 3.48 N ATOM 0 H GLN A 224 10.407 0.011 6.087 1.00 2.43 H new ATOM 0 HA GLN A 224 12.084 1.839 5.008 1.00 2.08 H new ATOM 0 HB2 GLN A 224 12.361 2.718 7.277 1.00 2.42 H new ATOM 0 HB3 GLN A 224 10.711 2.186 7.022 1.00 2.42 H new ATOM 0 HG2 GLN A 224 11.238 0.070 8.240 1.00 2.85 H new ATOM 0 HG3 GLN A 224 12.854 0.676 8.548 1.00 2.85 H new ATOM 0 HE21 GLN A 224 9.446 0.948 9.337 1.00 3.48 H new ATOM 0 HE22 GLN A 224 9.640 2.018 10.729 1.00 3.48 H new ATOM 72 N PRO A 225 14.398 1.194 4.885 1.00 1.72 N ATOM 73 CA PRO A 225 15.843 1.038 4.850 1.00 1.92 C ATOM 74 C PRO A 225 16.467 1.730 6.059 1.00 2.14 C ATOM 75 O PRO A 225 17.414 1.226 6.662 1.00 2.66 O ATOM 76 CB PRO A 225 16.265 1.720 3.539 1.00 2.14 C ATOM 77 CG PRO A 225 15.029 1.818 2.720 1.00 2.04 C ATOM 78 CD PRO A 225 13.891 1.890 3.690 1.00 1.87 C ATOM 0 HA PRO A 225 16.165 -0.003 4.888 1.00 1.92 H new ATOM 0 HB2 PRO A 225 16.688 2.707 3.729 1.00 2.14 H new ATOM 0 HB3 PRO A 225 17.031 1.139 3.024 1.00 2.14 H new ATOM 0 HG2 PRO A 225 15.054 2.702 2.082 1.00 2.04 H new ATOM 0 HG3 PRO A 225 14.927 0.954 2.064 1.00 2.04 H new ATOM 0 HD2 PRO A 225 13.621 2.922 3.913 1.00 1.87 H new ATOM 0 HD3 PRO A 225 12.998 1.406 3.295 1.00 1.87 H new ATOM 86 N SER A 226 15.872 2.872 6.421 1.00 1.95 N ATOM 87 CA SER A 226 16.277 3.652 7.596 1.00 2.16 C ATOM 88 C SER A 226 15.522 4.971 7.675 1.00 2.03 C ATOM 89 O SER A 226 15.294 5.503 8.760 1.00 2.18 O ATOM 90 CB SER A 226 17.772 3.938 7.580 1.00 2.66 C ATOM 91 OG SER A 226 18.177 4.496 6.341 1.00 3.31 O ATOM 0 H SER A 226 15.093 3.283 5.906 1.00 1.95 H new ATOM 0 HA SER A 226 16.035 3.049 8.471 1.00 2.16 H new ATOM 0 HB2 SER A 226 18.022 4.624 8.389 1.00 2.66 H new ATOM 0 HB3 SER A 226 18.323 3.015 7.763 1.00 2.66 H new ATOM 0 HG SER A 226 19.141 4.671 6.360 1.00 3.31 H new ATOM 97 N ILE A 227 15.107 5.476 6.519 1.00 1.95 N ATOM 98 CA ILE A 227 14.465 6.785 6.431 1.00 2.10 C ATOM 99 C ILE A 227 12.999 6.703 6.885 1.00 2.00 C ATOM 100 O ILE A 227 12.184 7.559 6.557 1.00 2.30 O ATOM 101 CB ILE A 227 14.542 7.365 4.985 1.00 2.25 C ATOM 102 CG1 ILE A 227 15.929 7.138 4.360 1.00 2.55 C ATOM 103 CG2 ILE A 227 14.236 8.859 4.986 1.00 2.41 C ATOM 104 CD1 ILE A 227 16.065 5.834 3.599 1.00 2.87 C ATOM 0 H ILE A 227 15.204 4.997 5.624 1.00 1.95 H new ATOM 0 HA ILE A 227 15.006 7.458 7.096 1.00 2.10 H new ATOM 0 HB ILE A 227 13.797 6.839 4.389 1.00 2.25 H new ATOM 0 HG12 ILE A 227 16.150 7.964 3.684 1.00 2.55 H new ATOM 0 HG13 ILE A 227 16.679 7.164 5.150 1.00 2.55 H new ATOM 0 HG21 ILE A 227 14.295 9.243 3.968 1.00 2.41 H new ATOM 0 HG22 ILE A 227 13.233 9.025 5.379 1.00 2.41 H new ATOM 0 HG23 ILE A 227 14.961 9.378 5.612 1.00 2.41 H new ATOM 0 HD11 ILE A 227 17.073 5.754 3.191 1.00 2.87 H new ATOM 0 HD12 ILE A 227 15.879 4.998 4.273 1.00 2.87 H new ATOM 0 HD13 ILE A 227 15.341 5.811 2.784 1.00 2.87 H new ATOM 116 N ASN A 228 12.686 5.665 7.665 1.00 1.79 N ATOM 117 CA ASN A 228 11.326 5.458 8.200 1.00 1.83 C ATOM 118 C ASN A 228 10.303 5.304 7.087 1.00 1.88 C ATOM 119 O ASN A 228 9.124 5.597 7.271 1.00 2.30 O ATOM 120 CB ASN A 228 10.895 6.621 9.101 1.00 2.31 C ATOM 121 CG ASN A 228 11.797 6.811 10.307 1.00 2.87 C ATOM 122 OD1 ASN A 228 12.297 5.716 10.869 1.00 3.55 O flip ATOM 123 ND2 ASN A 228 12.027 7.934 10.745 1.00 3.10 N flip ATOM 0 H ASN A 228 13.356 4.948 7.945 1.00 1.79 H new ATOM 0 HA ASN A 228 11.364 4.539 8.785 1.00 1.83 H new ATOM 0 HB2 ASN A 228 10.884 7.540 8.516 1.00 2.31 H new ATOM 0 HB3 ASN A 228 9.874 6.448 9.443 1.00 2.31 H new ATOM 0 HD21 ASN A 228 11.626 8.752 10.287 1.00 3.10 H new ATOM 0 HD22 ASN A 228 12.620 8.049 11.567 1.00 3.10 H new ATOM 130 N THR A 229 10.758 4.830 5.948 1.00 2.19 N ATOM 131 CA THR A 229 9.902 4.659 4.790 1.00 2.52 C ATOM 132 C THR A 229 9.514 3.192 4.605 1.00 2.03 C ATOM 133 O THR A 229 10.247 2.435 3.969 1.00 2.87 O ATOM 134 CB THR A 229 10.624 5.157 3.521 1.00 3.92 C ATOM 135 OG1 THR A 229 11.886 4.486 3.380 1.00 4.47 O ATOM 136 CG2 THR A 229 10.850 6.662 3.581 1.00 4.68 C ATOM 0 H THR A 229 11.728 4.553 5.796 1.00 2.19 H new ATOM 0 HA THR A 229 8.996 5.243 4.953 1.00 2.52 H new ATOM 0 HB THR A 229 9.994 4.934 2.660 1.00 3.92 H new ATOM 0 HG1 THR A 229 11.746 3.516 3.410 1.00 4.47 H new ATOM 0 HG21 THR A 229 11.361 6.990 2.675 1.00 4.68 H new ATOM 0 HG22 THR A 229 9.890 7.171 3.661 1.00 4.68 H new ATOM 0 HG23 THR A 229 11.462 6.904 4.450 1.00 4.68 H new ATOM 144 N PRO A 230 8.381 2.745 5.178 1.00 1.09 N ATOM 145 CA PRO A 230 7.936 1.371 5.024 1.00 1.06 C ATOM 146 C PRO A 230 7.022 1.208 3.816 1.00 1.08 C ATOM 147 O PRO A 230 5.841 1.559 3.862 1.00 1.84 O ATOM 148 CB PRO A 230 7.165 1.140 6.319 1.00 1.66 C ATOM 149 CG PRO A 230 6.573 2.474 6.657 1.00 1.77 C ATOM 150 CD PRO A 230 7.456 3.524 6.017 1.00 1.32 C ATOM 0 HA PRO A 230 8.753 0.668 4.858 1.00 1.06 H new ATOM 0 HB2 PRO A 230 6.390 0.385 6.188 1.00 1.66 H new ATOM 0 HB3 PRO A 230 7.823 0.787 7.113 1.00 1.66 H new ATOM 0 HG2 PRO A 230 5.552 2.549 6.283 1.00 1.77 H new ATOM 0 HG3 PRO A 230 6.528 2.614 7.737 1.00 1.77 H new ATOM 0 HD2 PRO A 230 6.873 4.228 5.422 1.00 1.32 H new ATOM 0 HD3 PRO A 230 7.991 4.107 6.767 1.00 1.32 H new ATOM 158 N LEU A 231 7.566 0.679 2.735 1.00 1.29 N ATOM 159 CA LEU A 231 6.810 0.527 1.515 1.00 1.31 C ATOM 160 C LEU A 231 6.972 -0.853 0.907 1.00 0.89 C ATOM 161 O LEU A 231 8.079 -1.377 0.817 1.00 1.38 O ATOM 162 CB LEU A 231 7.238 1.591 0.511 1.00 2.04 C ATOM 163 CG LEU A 231 8.652 1.449 -0.072 1.00 2.75 C ATOM 164 CD1 LEU A 231 8.754 2.174 -1.401 1.00 3.41 C ATOM 165 CD2 LEU A 231 9.691 2.001 0.889 1.00 3.64 C ATOM 0 H LEU A 231 8.530 0.349 2.682 1.00 1.29 H new ATOM 0 HA LEU A 231 5.756 0.650 1.763 1.00 1.31 H new ATOM 0 HB2 LEU A 231 6.526 1.588 -0.314 1.00 2.04 H new ATOM 0 HB3 LEU A 231 7.163 2.566 0.993 1.00 2.04 H new ATOM 0 HG LEU A 231 8.845 0.387 -0.227 1.00 2.75 H new ATOM 0 HD11 LEU A 231 9.762 2.063 -1.800 1.00 3.41 H new ATOM 0 HD12 LEU A 231 8.037 1.749 -2.103 1.00 3.41 H new ATOM 0 HD13 LEU A 231 8.536 3.232 -1.256 1.00 3.41 H new ATOM 0 HD21 LEU A 231 10.684 1.889 0.454 1.00 3.64 H new ATOM 0 HD22 LEU A 231 9.492 3.057 1.073 1.00 3.64 H new ATOM 0 HD23 LEU A 231 9.643 1.453 1.830 1.00 3.64 H new ATOM 177 N PRO A 232 5.854 -1.464 0.499 1.00 1.28 N ATOM 178 CA PRO A 232 5.865 -2.671 -0.334 1.00 1.64 C ATOM 179 C PRO A 232 6.442 -2.440 -1.742 1.00 1.09 C ATOM 180 O PRO A 232 6.206 -3.238 -2.636 1.00 1.25 O ATOM 181 CB PRO A 232 4.388 -3.073 -0.428 1.00 2.66 C ATOM 182 CG PRO A 232 3.694 -2.329 0.663 1.00 2.98 C ATOM 183 CD PRO A 232 4.491 -1.078 0.899 1.00 2.18 C ATOM 0 HA PRO A 232 6.506 -3.436 0.105 1.00 1.64 H new ATOM 0 HB2 PRO A 232 3.974 -2.815 -1.402 1.00 2.66 H new ATOM 0 HB3 PRO A 232 4.267 -4.149 -0.306 1.00 2.66 H new ATOM 0 HG2 PRO A 232 2.670 -2.089 0.378 1.00 2.98 H new ATOM 0 HG3 PRO A 232 3.640 -2.931 1.570 1.00 2.98 H new ATOM 0 HD2 PRO A 232 4.118 -0.245 0.303 1.00 2.18 H new ATOM 0 HD3 PRO A 232 4.451 -0.767 1.943 1.00 2.18 H new ATOM 191 N ASN A 233 7.172 -1.329 -1.934 1.00 0.77 N ATOM 192 CA ASN A 233 7.962 -1.085 -3.139 1.00 0.98 C ATOM 193 C ASN A 233 7.152 -0.801 -4.397 1.00 0.61 C ATOM 194 O ASN A 233 6.416 -1.644 -4.875 1.00 1.31 O ATOM 195 CB ASN A 233 8.858 -2.273 -3.423 1.00 2.09 C ATOM 196 CG ASN A 233 9.806 -2.582 -2.298 1.00 2.85 C ATOM 197 OD1 ASN A 233 10.944 -1.945 -2.326 1.00 3.08 O flip ATOM 198 ND2 ASN A 233 9.514 -3.383 -1.412 1.00 3.66 N flip ATOM 0 H ASN A 233 7.227 -0.574 -1.250 1.00 0.77 H new ATOM 0 HA ASN A 233 8.530 -0.182 -2.916 1.00 0.98 H new ATOM 0 HB2 ASN A 233 8.239 -3.148 -3.618 1.00 2.09 H new ATOM 0 HB3 ASN A 233 9.431 -2.079 -4.330 1.00 2.09 H new ATOM 0 HD21 ASN A 233 8.612 -3.858 -1.431 1.00 3.66 H new ATOM 0 HD22 ASN A 233 10.174 -3.572 -0.658 1.00 3.66 H new ATOM 205 N LEU A 234 7.315 0.407 -4.909 1.00 0.89 N ATOM 206 CA LEU A 234 7.065 0.721 -6.320 1.00 0.65 C ATOM 207 C LEU A 234 8.422 0.902 -6.943 1.00 0.63 C ATOM 208 O LEU A 234 8.669 0.596 -8.110 1.00 0.85 O ATOM 209 CB LEU A 234 6.225 2.004 -6.419 1.00 0.57 C ATOM 210 CG LEU A 234 6.140 2.768 -7.766 1.00 0.55 C ATOM 211 CD1 LEU A 234 7.408 3.566 -8.052 1.00 0.90 C ATOM 212 CD2 LEU A 234 5.829 1.825 -8.916 1.00 0.86 C ATOM 0 H LEU A 234 7.626 1.208 -4.360 1.00 0.89 H new ATOM 0 HA LEU A 234 6.508 -0.064 -6.832 1.00 0.65 H new ATOM 0 HB2 LEU A 234 5.207 1.749 -6.125 1.00 0.57 H new ATOM 0 HB3 LEU A 234 6.607 2.701 -5.673 1.00 0.57 H new ATOM 0 HG LEU A 234 5.319 3.479 -7.675 1.00 0.55 H new ATOM 0 HD11 LEU A 234 7.304 4.085 -9.005 1.00 0.90 H new ATOM 0 HD12 LEU A 234 7.566 4.295 -7.257 1.00 0.90 H new ATOM 0 HD13 LEU A 234 8.261 2.889 -8.098 1.00 0.90 H new ATOM 0 HD21 LEU A 234 5.776 2.391 -9.846 1.00 0.86 H new ATOM 0 HD22 LEU A 234 6.615 1.073 -8.993 1.00 0.86 H new ATOM 0 HD23 LEU A 234 4.873 1.334 -8.735 1.00 0.86 H new ATOM 224 N GLN A 235 9.291 1.379 -6.087 1.00 0.59 N ATOM 225 CA GLN A 235 10.658 1.600 -6.360 1.00 0.72 C ATOM 226 C GLN A 235 11.327 0.332 -6.846 1.00 0.76 C ATOM 227 O GLN A 235 11.918 0.294 -7.922 1.00 0.99 O ATOM 228 CB GLN A 235 11.216 2.061 -5.041 1.00 0.79 C ATOM 229 CG GLN A 235 11.269 3.569 -4.907 1.00 1.06 C ATOM 230 CD GLN A 235 12.469 4.171 -5.611 1.00 1.32 C ATOM 231 OE1 GLN A 235 12.406 4.508 -6.792 1.00 1.98 O ATOM 232 NE2 GLN A 235 13.572 4.300 -4.895 1.00 1.70 N ATOM 0 H GLN A 235 9.032 1.632 -5.133 1.00 0.59 H new ATOM 0 HA GLN A 235 10.823 2.329 -7.154 1.00 0.72 H new ATOM 0 HB2 GLN A 235 10.607 1.653 -4.234 1.00 0.79 H new ATOM 0 HB3 GLN A 235 12.221 1.657 -4.918 1.00 0.79 H new ATOM 0 HG2 GLN A 235 10.356 4.000 -5.319 1.00 1.06 H new ATOM 0 HG3 GLN A 235 11.299 3.836 -3.851 1.00 1.06 H new ATOM 0 HE21 GLN A 235 13.583 4.008 -3.918 1.00 1.70 H new ATOM 0 HE22 GLN A 235 14.413 4.691 -5.320 1.00 1.70 H new ATOM 241 N ASN A 236 11.207 -0.707 -6.050 1.00 0.64 N ATOM 242 CA ASN A 236 11.750 -1.992 -6.411 1.00 0.65 C ATOM 243 C ASN A 236 10.651 -2.872 -7.022 1.00 0.57 C ATOM 244 O ASN A 236 10.939 -3.873 -7.672 1.00 0.61 O ATOM 245 CB ASN A 236 12.383 -2.666 -5.181 1.00 0.75 C ATOM 246 CG ASN A 236 13.350 -1.755 -4.411 1.00 0.95 C ATOM 247 OD1 ASN A 236 13.867 -0.774 -4.947 1.00 1.48 O ATOM 248 ND2 ASN A 236 13.626 -2.098 -3.148 1.00 1.06 N ATOM 0 H ASN A 236 10.736 -0.684 -5.146 1.00 0.64 H new ATOM 0 HA ASN A 236 12.532 -1.855 -7.158 1.00 0.65 H new ATOM 0 HB2 ASN A 236 11.590 -2.992 -4.508 1.00 0.75 H new ATOM 0 HB3 ASN A 236 12.917 -3.560 -5.502 1.00 0.75 H new ATOM 0 HD21 ASN A 236 14.282 -1.541 -2.600 1.00 1.06 H new ATOM 0 HD22 ASN A 236 13.181 -2.917 -2.733 1.00 1.06 H new ATOM 255 N GLY A 237 9.386 -2.483 -6.812 1.00 0.55 N ATOM 256 CA GLY A 237 8.262 -3.229 -7.347 1.00 0.52 C ATOM 257 C GLY A 237 7.609 -2.541 -8.554 1.00 0.52 C ATOM 258 O GLY A 237 8.279 -2.307 -9.561 1.00 0.65 O ATOM 0 H GLY A 237 9.126 -1.656 -6.275 1.00 0.55 H new ATOM 0 HA2 GLY A 237 8.599 -4.223 -7.640 1.00 0.52 H new ATOM 0 HA3 GLY A 237 7.516 -3.363 -6.564 1.00 0.52 H new ATOM 262 N PRO A 238 6.295 -2.204 -8.486 1.00 0.40 N ATOM 263 CA PRO A 238 5.460 -2.429 -7.312 1.00 0.28 C ATOM 264 C PRO A 238 5.153 -3.847 -7.056 1.00 0.28 C ATOM 265 O PRO A 238 4.891 -4.660 -7.942 1.00 0.41 O ATOM 266 CB PRO A 238 4.217 -1.595 -7.575 1.00 0.25 C ATOM 267 CG PRO A 238 4.089 -1.603 -9.040 1.00 0.59 C ATOM 268 CD PRO A 238 5.513 -1.563 -9.561 1.00 0.43 C ATOM 0 HA PRO A 238 5.975 -2.134 -6.398 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.338 -2.025 -7.095 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.327 -0.582 -7.189 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.568 -2.496 -9.385 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.517 -0.744 -9.390 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.610 -2.102 -10.503 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.845 -0.541 -9.743 1.00 0.43 H new ATOM 276 N PHE A 239 5.220 -4.104 -5.791 1.00 0.24 N ATOM 277 CA PHE A 239 5.116 -5.428 -5.285 1.00 0.26 C ATOM 278 C PHE A 239 3.696 -5.624 -4.807 1.00 0.22 C ATOM 279 O PHE A 239 2.952 -4.651 -4.668 1.00 0.26 O ATOM 280 CB PHE A 239 6.117 -5.673 -4.146 1.00 0.38 C ATOM 281 CG PHE A 239 7.576 -5.738 -4.554 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.945 -6.098 -5.837 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.584 -5.464 -3.634 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.278 -6.181 -6.196 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.915 -5.545 -3.993 1.00 0.79 C ATOM 286 CZ PHE A 239 10.261 -5.907 -5.272 1.00 0.78 C ATOM 0 H PHE A 239 5.350 -3.391 -5.074 1.00 0.24 H new ATOM 0 HA PHE A 239 5.356 -6.146 -6.069 1.00 0.26 H new ATOM 0 HB2 PHE A 239 6.000 -4.879 -3.408 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.855 -6.609 -3.652 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.182 -6.317 -6.569 1.00 0.56 H new ATOM 0 HD2 PHE A 239 8.321 -5.184 -2.625 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.548 -6.461 -7.203 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.684 -5.324 -3.268 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.302 -5.977 -5.552 1.00 0.78 H new ATOM 296 N TYR A 240 3.310 -6.849 -4.534 1.00 0.22 N ATOM 297 CA TYR A 240 1.990 -7.092 -4.063 1.00 0.21 C ATOM 298 C TYR A 240 2.095 -7.081 -2.576 1.00 0.19 C ATOM 299 O TYR A 240 3.201 -7.147 -2.048 1.00 0.23 O ATOM 300 CB TYR A 240 1.473 -8.446 -4.552 1.00 0.24 C ATOM 301 CG TYR A 240 0.438 -8.406 -5.660 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.093 -7.212 -6.126 1.00 0.43 C ATOM 303 CD2 TYR A 240 -0.035 -9.589 -6.214 1.00 0.64 C ATOM 304 CE1 TYR A 240 -1.062 -7.199 -7.107 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.999 -9.582 -7.202 1.00 0.79 C ATOM 306 CZ TYR A 240 -1.509 -8.384 -7.644 1.00 0.69 C ATOM 307 OH TYR A 240 -2.475 -8.369 -8.628 1.00 0.88 O ATOM 0 H TYR A 240 3.895 -7.679 -4.633 1.00 0.22 H new ATOM 0 HA TYR A 240 1.290 -6.342 -4.431 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.324 -9.033 -4.899 1.00 0.24 H new ATOM 0 HB3 TYR A 240 1.045 -8.977 -3.702 1.00 0.24 H new ATOM 0 HD1 TYR A 240 0.258 -6.278 -5.714 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.359 -10.532 -5.865 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.469 -6.260 -7.453 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -1.350 -10.511 -7.625 1.00 0.79 H new ATOM 0 HH TYR A 240 -2.679 -9.288 -8.900 1.00 0.88 H new ATOM 317 N ALA A 241 1.003 -6.950 -1.897 1.00 0.14 N ATOM 318 CA ALA A 241 1.037 -7.073 -0.482 1.00 0.15 C ATOM 319 C ALA A 241 -0.294 -7.486 0.068 1.00 0.11 C ATOM 320 O ALA A 241 -1.309 -6.886 -0.224 1.00 0.12 O ATOM 321 CB ALA A 241 1.531 -5.783 0.151 1.00 0.24 C ATOM 0 H ALA A 241 0.084 -6.759 -2.297 1.00 0.14 H new ATOM 0 HA ALA A 241 1.742 -7.865 -0.227 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.551 -5.894 1.235 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.536 -5.562 -0.210 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.861 -4.966 -0.118 1.00 0.24 H new ATOM 327 N ARG A 242 -0.288 -8.509 0.884 1.00 0.10 N ATOM 328 CA ARG A 242 -1.506 -9.027 1.404 1.00 0.08 C ATOM 329 C ARG A 242 -1.962 -8.132 2.532 1.00 0.08 C ATOM 330 O ARG A 242 -1.397 -8.156 3.627 1.00 0.11 O ATOM 331 CB ARG A 242 -1.277 -10.431 1.912 1.00 0.10 C ATOM 332 CG ARG A 242 -2.491 -11.070 2.601 1.00 0.10 C ATOM 333 CD ARG A 242 -3.502 -11.625 1.618 1.00 0.11 C ATOM 334 NE ARG A 242 -2.893 -12.427 0.559 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.461 -12.618 -0.632 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.640 -12.066 -0.898 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.859 -13.369 -1.547 1.00 0.43 N ATOM 0 H ARG A 242 0.553 -8.993 1.197 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.270 -9.057 0.627 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.978 -11.062 1.075 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.443 -10.417 2.614 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.150 -11.872 3.256 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.977 -10.327 3.233 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.226 -12.236 2.157 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -4.053 -10.799 1.168 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.988 -12.862 0.740 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.108 -11.498 -0.192 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.077 -12.210 -1.808 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.959 -13.802 -1.340 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.297 -13.513 -2.457 1.00 0.43 H new ATOM 351 N VAL A 243 -2.949 -7.319 2.253 1.00 0.07 N ATOM 352 CA VAL A 243 -3.485 -6.434 3.233 1.00 0.08 C ATOM 353 C VAL A 243 -4.073 -7.253 4.353 1.00 0.11 C ATOM 354 O VAL A 243 -4.701 -8.272 4.111 1.00 0.14 O ATOM 355 CB VAL A 243 -4.559 -5.514 2.623 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.676 -6.311 1.996 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.122 -4.621 3.686 1.00 0.18 C ATOM 0 H VAL A 243 -3.397 -7.258 1.339 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.687 -5.798 3.615 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.086 -4.916 1.844 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.417 -5.631 1.575 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.272 -6.943 1.205 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.147 -6.936 2.755 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -5.882 -3.971 3.251 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.571 -5.229 4.472 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.324 -4.012 4.110 1.00 0.18 H new ATOM 367 N ILE A 244 -3.852 -6.837 5.575 1.00 0.12 N ATOM 368 CA ILE A 244 -4.386 -7.594 6.691 1.00 0.16 C ATOM 369 C ILE A 244 -5.133 -6.723 7.647 1.00 0.13 C ATOM 370 O ILE A 244 -5.490 -7.173 8.725 1.00 0.17 O ATOM 371 CB ILE A 244 -3.344 -8.389 7.495 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.059 -7.590 7.724 1.00 0.43 C ATOM 373 CG2 ILE A 244 -3.062 -9.715 6.830 1.00 0.37 C ATOM 374 CD1 ILE A 244 -2.020 -6.883 9.060 1.00 0.61 C ATOM 0 H ILE A 244 -3.322 -6.002 5.824 1.00 0.12 H new ATOM 0 HA ILE A 244 -5.052 -8.311 6.211 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.766 -8.584 8.481 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.204 -8.263 7.653 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -1.952 -6.853 6.928 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.322 -10.264 7.413 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.982 -10.296 6.772 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.677 -9.543 5.825 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -1.082 -6.337 9.155 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.855 -6.185 9.127 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -2.095 -7.617 9.862 1.00 0.61 H new ATOM 386 N GLN A 245 -5.342 -5.483 7.249 1.00 0.11 N ATOM 387 CA GLN A 245 -6.173 -4.546 7.997 1.00 0.12 C ATOM 388 C GLN A 245 -6.363 -3.290 7.187 1.00 0.11 C ATOM 389 O GLN A 245 -5.499 -2.427 7.111 1.00 0.12 O ATOM 390 CB GLN A 245 -5.583 -4.223 9.375 1.00 0.15 C ATOM 391 CG GLN A 245 -6.060 -5.160 10.473 1.00 0.21 C ATOM 392 CD GLN A 245 -5.489 -4.813 11.832 1.00 0.33 C ATOM 393 OE1 GLN A 245 -6.064 -4.020 12.578 1.00 1.05 O ATOM 394 NE2 GLN A 245 -4.357 -5.411 12.166 1.00 1.20 N ATOM 0 H GLN A 245 -4.942 -5.091 6.397 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.141 -5.016 8.174 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.496 -4.269 9.316 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.845 -3.199 9.643 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.148 -5.129 10.523 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.782 -6.182 10.218 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -3.913 -6.062 11.518 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -3.928 -5.221 13.072 1.00 1.20 H new ATOM 403 N LYS A 246 -7.474 -3.254 6.510 1.00 0.12 N ATOM 404 CA LYS A 246 -7.859 -2.114 5.728 1.00 0.12 C ATOM 405 C LYS A 246 -9.337 -1.891 5.942 1.00 0.15 C ATOM 406 O LYS A 246 -10.028 -2.760 6.481 1.00 0.19 O ATOM 407 CB LYS A 246 -7.502 -2.396 4.284 1.00 0.12 C ATOM 408 CG LYS A 246 -7.214 -1.193 3.368 1.00 0.13 C ATOM 409 CD LYS A 246 -5.874 -1.373 2.683 1.00 0.14 C ATOM 410 CE LYS A 246 -4.776 -0.828 3.519 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.445 -1.022 2.881 1.00 0.21 N ATOM 0 H LYS A 246 -8.145 -4.022 6.485 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.339 -1.202 6.021 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.623 -3.041 4.276 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.320 -2.966 3.842 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -8.003 -1.096 2.622 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.213 -0.273 3.952 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.699 -2.431 2.490 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.885 -0.870 1.716 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.944 0.235 3.692 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.786 -1.315 4.494 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.705 -0.628 3.496 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.273 -2.038 2.739 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.426 -0.536 1.962 1.00 0.21 H new ATOM 425 N ARG A 247 -9.815 -0.751 5.545 1.00 0.16 N ATOM 426 CA ARG A 247 -11.204 -0.438 5.680 1.00 0.16 C ATOM 427 C ARG A 247 -11.837 -0.619 4.323 1.00 0.14 C ATOM 428 O ARG A 247 -11.118 -0.814 3.345 1.00 0.14 O ATOM 429 CB ARG A 247 -11.371 0.999 6.164 1.00 0.17 C ATOM 430 CG ARG A 247 -11.091 2.034 5.092 1.00 0.18 C ATOM 431 CD ARG A 247 -11.252 3.450 5.606 1.00 0.23 C ATOM 432 NE ARG A 247 -12.665 3.808 5.729 1.00 0.49 N ATOM 433 CZ ARG A 247 -13.106 4.960 6.236 1.00 0.63 C ATOM 434 NH1 ARG A 247 -12.247 5.879 6.648 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.407 5.196 6.314 1.00 0.63 N ATOM 0 H ARG A 247 -9.254 -0.013 5.119 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.682 -1.090 6.411 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.388 1.134 6.532 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.702 1.170 7.007 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -10.077 1.899 4.716 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.767 1.876 4.251 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.764 3.546 6.576 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.755 4.145 4.929 1.00 0.23 H new ATOM 0 HE ARG A 247 -13.358 3.133 5.406 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -11.244 5.707 6.578 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -12.588 6.759 7.035 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -15.073 4.496 5.986 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.743 6.077 6.702 1.00 0.63 H new ATOM 449 N VAL A 248 -13.150 -0.628 4.242 1.00 0.15 N ATOM 450 CA VAL A 248 -13.784 -0.482 2.964 1.00 0.15 C ATOM 451 C VAL A 248 -14.178 0.979 2.765 1.00 0.14 C ATOM 452 O VAL A 248 -15.245 1.427 3.195 1.00 0.16 O ATOM 453 CB VAL A 248 -14.993 -1.426 2.798 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.885 -0.962 1.665 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.504 -2.839 2.528 1.00 0.21 C ATOM 0 H VAL A 248 -13.784 -0.733 5.034 1.00 0.15 H new ATOM 0 HA VAL A 248 -13.073 -0.771 2.190 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.575 -1.413 3.720 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.731 -1.642 1.566 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.250 0.043 1.878 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.317 -0.952 0.735 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.360 -3.504 2.411 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.909 -2.850 1.615 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.892 -3.178 3.364 1.00 0.21 H new ATOM 465 N PRO A 249 -13.264 1.759 2.175 1.00 0.13 N ATOM 466 CA PRO A 249 -13.499 3.103 1.768 1.00 0.15 C ATOM 467 C PRO A 249 -13.849 3.125 0.293 1.00 0.16 C ATOM 468 O PRO A 249 -14.525 2.225 -0.216 1.00 0.17 O ATOM 469 CB PRO A 249 -12.133 3.773 2.012 1.00 0.16 C ATOM 470 CG PRO A 249 -11.129 2.658 2.039 1.00 0.14 C ATOM 471 CD PRO A 249 -11.899 1.395 1.843 1.00 0.13 C ATOM 0 HA PRO A 249 -14.316 3.596 2.295 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.902 4.488 1.223 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -12.130 4.324 2.952 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.385 2.786 1.253 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.591 2.642 2.987 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.820 1.035 0.817 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.530 0.599 2.489 1.00 0.13 H new ATOM 479 N ASN A 250 -13.381 4.142 -0.377 1.00 0.17 N ATOM 480 CA ASN A 250 -13.425 4.210 -1.817 1.00 0.20 C ATOM 481 C ASN A 250 -12.463 5.276 -2.280 1.00 0.21 C ATOM 482 O ASN A 250 -11.815 5.933 -1.464 1.00 0.19 O ATOM 483 CB ASN A 250 -14.827 4.521 -2.344 1.00 0.24 C ATOM 484 CG ASN A 250 -15.556 5.533 -1.484 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.333 6.728 -1.604 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.446 5.061 -0.626 1.00 1.28 N ATOM 0 H ASN A 250 -12.953 4.957 0.063 1.00 0.17 H new ATOM 0 HA ASN A 250 -13.144 3.233 -2.210 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.753 4.900 -3.363 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.408 3.600 -2.388 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.975 5.703 -0.035 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.603 4.056 -0.556 1.00 1.28 H new ATOM 493 N ALA A 251 -12.374 5.452 -3.576 1.00 0.26 N ATOM 494 CA ALA A 251 -11.488 6.446 -4.138 1.00 0.31 C ATOM 495 C ALA A 251 -12.029 7.855 -3.935 1.00 0.37 C ATOM 496 O ALA A 251 -11.312 8.836 -4.117 1.00 0.42 O ATOM 497 CB ALA A 251 -11.257 6.162 -5.607 1.00 0.39 C ATOM 0 H ALA A 251 -12.905 4.919 -4.264 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.534 6.388 -3.614 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.588 6.916 -6.023 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.807 5.176 -5.721 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.209 6.190 -6.137 1.00 0.39 H new ATOM 503 N TYR A 252 -13.288 7.956 -3.553 1.00 0.39 N ATOM 504 CA TYR A 252 -13.882 9.246 -3.237 1.00 0.47 C ATOM 505 C TYR A 252 -13.399 9.691 -1.873 1.00 0.46 C ATOM 506 O TYR A 252 -13.250 10.880 -1.589 1.00 0.56 O ATOM 507 CB TYR A 252 -15.401 9.145 -3.196 1.00 0.57 C ATOM 508 CG TYR A 252 -16.034 8.550 -4.430 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.374 8.520 -5.653 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.312 8.024 -4.359 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.979 7.977 -6.771 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.921 7.477 -5.467 1.00 1.76 C ATOM 513 CZ TYR A 252 -17.253 7.457 -6.670 1.00 1.98 C ATOM 514 OH TYR A 252 -17.866 6.921 -7.778 1.00 2.53 O ATOM 0 H TYR A 252 -13.921 7.162 -3.453 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.589 9.960 -4.007 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.687 8.543 -2.333 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.812 10.142 -3.040 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.376 8.926 -5.731 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.842 8.043 -3.418 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.458 7.960 -7.717 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.917 7.066 -5.392 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.759 6.598 -7.534 1.00 2.53 H new ATOM 524 N ASP A 253 -13.144 8.698 -1.046 1.00 0.40 N ATOM 525 CA ASP A 253 -12.780 8.891 0.320 1.00 0.43 C ATOM 526 C ASP A 253 -11.320 9.144 0.411 1.00 0.38 C ATOM 527 O ASP A 253 -10.561 8.233 0.750 1.00 0.34 O ATOM 528 CB ASP A 253 -13.018 7.602 1.049 1.00 0.44 C ATOM 529 CG ASP A 253 -13.690 7.765 2.395 1.00 0.56 C ATOM 530 OD1 ASP A 253 -14.922 7.959 2.431 1.00 0.80 O ATOM 531 OD2 ASP A 253 -12.989 7.686 3.425 1.00 0.88 O ATOM 0 H ASP A 253 -13.188 7.717 -1.323 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.354 9.721 0.733 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.632 6.953 0.425 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -12.063 7.096 1.191 1.00 0.44 H new ATOM 536 N LYS A 254 -10.917 10.357 0.100 1.00 0.43 N ATOM 537 CA LYS A 254 -9.543 10.750 0.288 1.00 0.41 C ATOM 538 C LYS A 254 -8.627 9.910 -0.584 1.00 0.31 C ATOM 539 O LYS A 254 -7.410 9.997 -0.484 1.00 0.28 O ATOM 540 CB LYS A 254 -9.233 10.555 1.765 1.00 0.45 C ATOM 541 CG LYS A 254 -10.224 11.296 2.624 1.00 0.60 C ATOM 542 CD LYS A 254 -10.123 10.941 4.098 1.00 0.74 C ATOM 543 CE LYS A 254 -10.986 9.733 4.419 1.00 0.79 C ATOM 544 NZ LYS A 254 -11.090 9.479 5.878 1.00 1.32 N ATOM 0 H LYS A 254 -11.521 11.084 -0.283 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.384 11.789 -0.001 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.257 9.493 2.009 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.224 10.908 1.979 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -10.069 12.368 2.504 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.233 11.079 2.273 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -9.085 10.732 4.357 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.438 11.790 4.704 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.984 9.884 4.008 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.570 8.853 3.929 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -11.689 8.645 6.043 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -10.142 9.307 6.269 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -11.512 10.307 6.345 1.00 1.32 H new ATOM 558 N THR A 255 -9.265 9.115 -1.441 1.00 0.28 N ATOM 559 CA THR A 255 -8.657 8.030 -2.163 1.00 0.22 C ATOM 560 C THR A 255 -8.090 7.064 -1.159 1.00 0.15 C ATOM 561 O THR A 255 -6.982 7.235 -0.651 1.00 0.14 O ATOM 562 CB THR A 255 -7.606 8.428 -3.238 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.541 9.213 -2.690 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.270 9.190 -4.371 1.00 0.55 C ATOM 0 H THR A 255 -10.257 9.224 -1.650 1.00 0.28 H new ATOM 0 HA THR A 255 -9.444 7.570 -2.761 1.00 0.22 H new ATOM 0 HB THR A 255 -7.175 7.502 -3.620 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.537 9.124 -1.714 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.521 9.461 -5.115 1.00 0.55 H new ATOM 0 HG22 THR A 255 -9.031 8.562 -4.834 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.735 10.094 -3.978 1.00 0.55 H new ATOM 572 N ALA A 256 -8.943 6.145 -0.756 1.00 0.13 N ATOM 573 CA ALA A 256 -8.544 5.075 0.117 1.00 0.11 C ATOM 574 C ALA A 256 -8.811 3.693 -0.510 1.00 0.10 C ATOM 575 O ALA A 256 -9.556 3.573 -1.482 1.00 0.12 O ATOM 576 CB ALA A 256 -9.217 5.233 1.462 1.00 0.13 C ATOM 0 H ALA A 256 -9.926 6.124 -1.026 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.466 5.133 0.267 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.911 4.419 2.120 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.927 6.186 1.904 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.299 5.208 1.333 1.00 0.13 H new ATOM 582 N LEU A 257 -8.221 2.654 0.084 1.00 0.10 N ATOM 583 CA LEU A 257 -8.252 1.286 -0.477 1.00 0.09 C ATOM 584 C LEU A 257 -9.400 0.466 0.044 1.00 0.09 C ATOM 585 O LEU A 257 -9.440 0.161 1.231 1.00 0.11 O ATOM 586 CB LEU A 257 -6.964 0.526 -0.126 1.00 0.11 C ATOM 587 CG LEU A 257 -5.737 0.903 -0.911 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.077 1.199 -2.354 1.00 0.27 C ATOM 589 CD2 LEU A 257 -5.042 2.083 -0.274 1.00 0.21 C ATOM 0 H LEU A 257 -7.709 2.728 0.963 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.360 1.416 -1.554 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.754 0.678 0.933 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.146 -0.540 -0.265 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.057 0.051 -0.898 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.169 1.468 -2.894 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.523 0.316 -2.811 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.785 2.027 -2.399 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.157 2.341 -0.855 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.721 2.935 -0.249 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.746 1.825 0.743 1.00 0.21 H new ATOM 601 N ALA A 258 -10.288 0.038 -0.849 1.00 0.10 N ATOM 602 CA ALA A 258 -11.412 -0.764 -0.424 1.00 0.11 C ATOM 603 C ALA A 258 -11.070 -2.211 -0.474 1.00 0.11 C ATOM 604 O ALA A 258 -11.209 -2.880 -1.496 1.00 0.14 O ATOM 605 CB ALA A 258 -12.609 -0.493 -1.283 1.00 0.14 C ATOM 0 H ALA A 258 -10.247 0.232 -1.850 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.650 -0.494 0.605 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.445 -1.107 -0.947 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.879 0.560 -1.209 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.375 -0.735 -2.320 1.00 0.14 H new ATOM 611 N LEU A 259 -10.624 -2.688 0.647 1.00 0.10 N ATOM 612 CA LEU A 259 -10.269 -4.068 0.782 1.00 0.12 C ATOM 613 C LEU A 259 -10.340 -4.488 2.233 1.00 0.12 C ATOM 614 O LEU A 259 -10.431 -3.651 3.129 1.00 0.12 O ATOM 615 CB LEU A 259 -8.875 -4.319 0.219 1.00 0.14 C ATOM 616 CG LEU A 259 -8.014 -3.067 0.082 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.594 -3.362 0.469 1.00 0.49 C ATOM 618 CD2 LEU A 259 -8.060 -2.535 -1.330 1.00 0.55 C ATOM 0 H LEU A 259 -10.496 -2.133 1.493 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.980 -4.667 0.213 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.359 -5.031 0.864 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.971 -4.788 -0.760 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.415 -2.308 0.753 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -5.993 -2.458 0.366 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.562 -3.702 1.504 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.194 -4.140 -0.181 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.439 -1.642 -1.403 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.687 -3.294 -2.017 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -9.088 -2.284 -1.591 1.00 0.55 H new ATOM 630 N GLU A 260 -10.274 -5.779 2.461 1.00 0.15 N ATOM 631 CA GLU A 260 -10.445 -6.321 3.793 1.00 0.16 C ATOM 632 C GLU A 260 -9.135 -6.903 4.294 1.00 0.15 C ATOM 633 O GLU A 260 -8.165 -7.023 3.554 1.00 0.16 O ATOM 634 CB GLU A 260 -11.552 -7.392 3.778 1.00 0.21 C ATOM 635 CG GLU A 260 -11.541 -8.362 4.953 1.00 0.23 C ATOM 636 CD GLU A 260 -12.878 -8.455 5.648 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.138 -7.639 6.557 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.669 -9.351 5.298 1.00 0.92 O ATOM 0 H GLU A 260 -10.102 -6.478 1.739 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.742 -5.522 4.473 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.519 -6.890 3.753 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.466 -7.965 2.855 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.251 -9.351 4.599 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.784 -8.047 5.671 1.00 0.23 H new ATOM 645 N VAL A 261 -9.099 -7.195 5.568 1.00 0.16 N ATOM 646 CA VAL A 261 -8.082 -8.040 6.129 1.00 0.16 C ATOM 647 C VAL A 261 -7.973 -9.359 5.369 1.00 0.17 C ATOM 648 O VAL A 261 -8.936 -10.121 5.277 1.00 0.21 O ATOM 649 CB VAL A 261 -8.421 -8.347 7.584 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.425 -9.318 8.192 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.504 -7.055 8.346 1.00 0.18 C ATOM 0 H VAL A 261 -9.778 -6.851 6.247 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.131 -7.512 6.057 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.390 -8.843 7.638 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.696 -9.515 9.229 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.438 -10.252 7.630 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.425 -8.885 8.154 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.746 -7.262 9.388 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.546 -6.538 8.292 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.281 -6.426 7.911 1.00 0.18 H new ATOM 661 N GLY A 262 -6.804 -9.606 4.815 1.00 0.17 N ATOM 662 CA GLY A 262 -6.541 -10.868 4.169 1.00 0.18 C ATOM 663 C GLY A 262 -6.643 -10.765 2.684 1.00 0.17 C ATOM 664 O GLY A 262 -6.458 -11.737 1.952 1.00 0.19 O ATOM 0 H GLY A 262 -6.024 -8.949 4.801 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.544 -11.214 4.441 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.248 -11.615 4.530 1.00 0.18 H new ATOM 668 N GLU A 263 -6.961 -9.581 2.248 1.00 0.16 N ATOM 669 CA GLU A 263 -7.047 -9.271 0.856 1.00 0.17 C ATOM 670 C GLU A 263 -5.681 -8.846 0.351 1.00 0.13 C ATOM 671 O GLU A 263 -4.673 -9.174 0.955 1.00 0.11 O ATOM 672 CB GLU A 263 -8.111 -8.209 0.774 1.00 0.18 C ATOM 673 CG GLU A 263 -9.358 -8.719 1.462 1.00 0.21 C ATOM 674 CD GLU A 263 -10.223 -9.575 0.566 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.797 -9.036 -0.400 1.00 0.84 O ATOM 676 OE2 GLU A 263 -10.330 -10.791 0.825 1.00 0.75 O ATOM 0 H GLU A 263 -7.171 -8.793 2.861 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.324 -10.109 0.216 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.766 -7.291 1.249 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.325 -7.968 -0.267 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.070 -9.298 2.340 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.942 -7.870 1.818 1.00 0.21 H new ATOM 683 N LEU A 264 -5.627 -8.121 -0.725 1.00 0.17 N ATOM 684 CA LEU A 264 -4.344 -7.775 -1.320 1.00 0.18 C ATOM 685 C LEU A 264 -4.362 -6.328 -1.767 1.00 0.17 C ATOM 686 O LEU A 264 -5.393 -5.788 -2.170 1.00 0.31 O ATOM 687 CB LEU A 264 -4.121 -8.735 -2.483 1.00 0.48 C ATOM 688 CG LEU A 264 -2.734 -8.853 -3.152 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.260 -7.554 -3.741 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.696 -9.378 -2.194 1.00 0.83 C ATOM 0 H LEU A 264 -6.442 -7.753 -1.216 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.525 -7.872 -0.608 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.395 -9.731 -2.134 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.832 -8.464 -3.264 1.00 0.48 H new ATOM 0 HG LEU A 264 -2.862 -9.566 -3.967 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.281 -7.697 -4.197 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.968 -7.218 -4.499 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.187 -6.803 -2.954 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.734 -9.447 -2.702 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.610 -8.701 -1.344 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -1.992 -10.366 -1.842 1.00 0.83 H new ATOM 702 N VAL A 265 -3.210 -5.724 -1.664 1.00 0.19 N ATOM 703 CA VAL A 265 -2.997 -4.348 -2.009 1.00 0.19 C ATOM 704 C VAL A 265 -1.600 -4.204 -2.610 1.00 0.24 C ATOM 705 O VAL A 265 -0.689 -4.907 -2.221 1.00 0.47 O ATOM 706 CB VAL A 265 -3.153 -3.473 -0.750 1.00 0.16 C ATOM 707 CG1 VAL A 265 -2.013 -3.633 0.207 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.240 -2.032 -1.062 1.00 0.27 C ATOM 0 H VAL A 265 -2.369 -6.192 -1.327 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.732 -4.019 -2.743 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.083 -3.821 -0.300 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.174 -2.994 1.075 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.951 -4.673 0.528 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.083 -3.349 -0.285 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.349 -1.465 -0.137 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.333 -1.716 -1.577 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.103 -1.850 -1.703 1.00 0.27 H new ATOM 718 N LYS A 266 -1.435 -3.317 -3.562 1.00 0.14 N ATOM 719 CA LYS A 266 -0.177 -3.208 -4.286 1.00 0.15 C ATOM 720 C LYS A 266 0.326 -1.797 -4.259 1.00 0.32 C ATOM 721 O LYS A 266 -0.345 -0.897 -4.729 1.00 0.74 O ATOM 722 CB LYS A 266 -0.394 -3.654 -5.725 1.00 0.26 C ATOM 723 CG LYS A 266 0.827 -3.495 -6.633 1.00 0.42 C ATOM 724 CD LYS A 266 0.724 -2.282 -7.556 1.00 0.57 C ATOM 725 CE LYS A 266 -0.614 -2.240 -8.292 1.00 0.96 C ATOM 726 NZ LYS A 266 -0.642 -1.225 -9.377 1.00 1.84 N ATOM 0 H LYS A 266 -2.153 -2.656 -3.859 1.00 0.14 H new ATOM 0 HA LYS A 266 0.568 -3.845 -3.809 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.696 -4.701 -5.725 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.221 -3.083 -6.147 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.722 -3.403 -6.018 1.00 0.42 H new ATOM 0 HG3 LYS A 266 0.946 -4.395 -7.236 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.846 -1.370 -6.972 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.537 -2.307 -8.281 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -0.822 -3.223 -8.715 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -1.409 -2.025 -7.579 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -1.597 -1.180 -9.786 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 -0.388 -0.294 -8.988 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 0.039 -1.489 -10.117 1.00 1.84 H new ATOM 740 N VAL A 267 1.519 -1.581 -3.766 1.00 0.14 N ATOM 741 CA VAL A 267 1.936 -0.227 -3.593 1.00 0.16 C ATOM 742 C VAL A 267 2.722 0.199 -4.811 1.00 0.20 C ATOM 743 O VAL A 267 3.781 -0.340 -5.137 1.00 0.23 O ATOM 744 CB VAL A 267 2.700 0.028 -2.284 1.00 0.20 C ATOM 745 CG1 VAL A 267 4.147 -0.377 -2.390 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.556 1.482 -1.882 1.00 0.22 C ATOM 0 H VAL A 267 2.190 -2.298 -3.489 1.00 0.14 H new ATOM 0 HA VAL A 267 1.042 0.390 -3.500 1.00 0.16 H new ATOM 0 HB VAL A 267 2.262 -0.595 -1.504 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.650 -0.180 -1.443 1.00 0.31 H new ATOM 0 HG12 VAL A 267 4.211 -1.440 -2.621 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.628 0.196 -3.183 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.099 1.658 -0.954 1.00 0.22 H new ATOM 0 HG22 VAL A 267 2.963 2.119 -2.667 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.502 1.716 -1.736 1.00 0.22 H new ATOM 756 N THR A 268 2.130 1.131 -5.503 1.00 0.21 N ATOM 757 CA THR A 268 2.588 1.577 -6.776 1.00 0.24 C ATOM 758 C THR A 268 2.939 3.071 -6.745 1.00 0.24 C ATOM 759 O THR A 268 3.432 3.624 -7.723 1.00 0.35 O ATOM 760 CB THR A 268 1.469 1.370 -7.802 1.00 0.26 C ATOM 761 OG1 THR A 268 1.771 2.076 -9.006 1.00 0.31 O ATOM 762 CG2 THR A 268 0.136 1.843 -7.216 1.00 0.24 C ATOM 0 H THR A 268 1.290 1.612 -5.181 1.00 0.21 H new ATOM 0 HA THR A 268 3.479 1.008 -7.040 1.00 0.24 H new ATOM 0 HB THR A 268 1.389 0.309 -8.039 1.00 0.26 H new ATOM 0 HG1 THR A 268 2.609 2.571 -8.893 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.657 1.694 -7.949 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.089 1.271 -6.316 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.204 2.902 -6.965 1.00 0.24 H new ATOM 770 N LYS A 269 2.653 3.733 -5.636 1.00 0.20 N ATOM 771 CA LYS A 269 2.772 5.171 -5.569 1.00 0.23 C ATOM 772 C LYS A 269 3.655 5.548 -4.399 1.00 0.28 C ATOM 773 O LYS A 269 3.232 5.461 -3.263 1.00 0.45 O ATOM 774 CB LYS A 269 1.381 5.778 -5.367 1.00 0.25 C ATOM 775 CG LYS A 269 1.317 7.296 -5.455 1.00 0.49 C ATOM 776 CD LYS A 269 2.050 7.847 -6.669 1.00 0.59 C ATOM 777 CE LYS A 269 3.244 8.670 -6.228 1.00 0.49 C ATOM 778 NZ LYS A 269 2.811 9.900 -5.516 1.00 1.40 N ATOM 0 H LYS A 269 2.337 3.293 -4.772 1.00 0.20 H new ATOM 0 HA LYS A 269 3.211 5.548 -6.493 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.707 5.358 -6.114 1.00 0.25 H new ATOM 0 HB3 LYS A 269 1.006 5.471 -4.391 1.00 0.25 H new ATOM 0 HG2 LYS A 269 0.274 7.610 -5.493 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.747 7.726 -4.550 1.00 0.49 H new ATOM 0 HD2 LYS A 269 2.379 7.027 -7.307 1.00 0.59 H new ATOM 0 HD3 LYS A 269 1.374 8.462 -7.263 1.00 0.59 H new ATOM 0 HE2 LYS A 269 3.880 8.073 -5.575 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.844 8.941 -7.097 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 3.638 10.503 -5.330 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 2.129 10.420 -6.105 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.362 9.640 -4.615 1.00 1.40 H new ATOM 792 N ILE A 270 4.884 5.942 -4.649 1.00 0.31 N ATOM 793 CA ILE A 270 5.753 6.305 -3.541 1.00 0.34 C ATOM 794 C ILE A 270 5.795 7.812 -3.401 1.00 0.38 C ATOM 795 O ILE A 270 6.298 8.519 -4.272 1.00 0.42 O ATOM 796 CB ILE A 270 7.177 5.748 -3.694 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.139 4.321 -4.235 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.912 5.781 -2.363 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.167 3.406 -3.506 1.00 1.44 C ATOM 0 H ILE A 270 5.299 6.020 -5.577 1.00 0.31 H new ATOM 0 HA ILE A 270 5.335 5.856 -2.640 1.00 0.34 H new ATOM 0 HB ILE A 270 7.713 6.378 -4.404 1.00 0.39 H new ATOM 0 HG12 ILE A 270 6.870 4.351 -5.291 1.00 0.57 H new ATOM 0 HG13 ILE A 270 8.140 3.894 -4.173 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.918 5.382 -2.493 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.972 6.809 -2.006 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.373 5.175 -1.635 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.200 2.411 -3.951 1.00 1.44 H new ATOM 0 HD12 ILE A 270 6.446 3.343 -2.454 1.00 1.44 H new ATOM 0 HD13 ILE A 270 5.157 3.807 -3.590 1.00 1.44 H new ATOM 811 N ASN A 271 5.218 8.290 -2.319 1.00 0.40 N ATOM 812 CA ASN A 271 5.075 9.712 -2.089 1.00 0.47 C ATOM 813 C ASN A 271 5.169 10.033 -0.602 1.00 0.49 C ATOM 814 O ASN A 271 5.263 9.127 0.212 1.00 0.51 O ATOM 815 CB ASN A 271 3.746 10.175 -2.685 1.00 0.52 C ATOM 816 CG ASN A 271 2.528 9.375 -2.235 1.00 0.57 C ATOM 817 OD1 ASN A 271 1.560 9.263 -2.976 1.00 0.94 O ATOM 818 ND2 ASN A 271 2.566 8.785 -1.055 1.00 0.46 N ATOM 0 H ASN A 271 4.836 7.705 -1.576 1.00 0.40 H new ATOM 0 HA ASN A 271 5.888 10.249 -2.578 1.00 0.47 H new ATOM 0 HB2 ASN A 271 3.592 11.222 -2.423 1.00 0.52 H new ATOM 0 HB3 ASN A 271 3.814 10.125 -3.772 1.00 0.52 H new ATOM 0 HD21 ASN A 271 1.777 8.220 -0.742 1.00 0.46 H new ATOM 0 HD22 ASN A 271 3.385 8.894 -0.456 1.00 0.46 H new ATOM 825 N MET A 272 5.126 11.319 -0.254 1.00 0.55 N ATOM 826 CA MET A 272 5.222 11.768 1.146 1.00 0.61 C ATOM 827 C MET A 272 6.592 11.428 1.722 1.00 0.57 C ATOM 828 O MET A 272 7.529 11.106 0.989 1.00 0.59 O ATOM 829 CB MET A 272 4.146 11.127 2.041 1.00 0.78 C ATOM 830 CG MET A 272 2.808 10.940 1.363 1.00 0.63 C ATOM 831 SD MET A 272 1.505 10.415 2.495 1.00 0.77 S ATOM 832 CE MET A 272 0.417 9.538 1.372 1.00 0.59 C ATOM 0 H MET A 272 5.024 12.080 -0.926 1.00 0.55 H new ATOM 0 HA MET A 272 5.068 12.847 1.136 1.00 0.61 H new ATOM 0 HB2 MET A 272 4.506 10.157 2.384 1.00 0.78 H new ATOM 0 HB3 MET A 272 4.009 11.748 2.926 1.00 0.78 H new ATOM 0 HG2 MET A 272 2.514 11.877 0.890 1.00 0.63 H new ATOM 0 HG3 MET A 272 2.910 10.200 0.569 1.00 0.63 H new ATOM 0 HE1 MET A 272 -0.572 9.447 1.821 1.00 0.59 H new ATOM 0 HE2 MET A 272 0.341 10.089 0.435 1.00 0.59 H new ATOM 0 HE3 MET A 272 0.820 8.544 1.177 1.00 0.59 H new ATOM 842 N SER A 273 6.700 11.510 3.039 1.00 0.68 N ATOM 843 CA SER A 273 7.926 11.201 3.730 1.00 0.75 C ATOM 844 C SER A 273 7.799 9.920 4.558 1.00 0.85 C ATOM 845 O SER A 273 8.659 9.635 5.393 1.00 1.04 O ATOM 846 CB SER A 273 8.276 12.374 4.633 1.00 0.89 C ATOM 847 OG SER A 273 8.374 13.579 3.889 1.00 1.24 O ATOM 0 H SER A 273 5.936 11.793 3.652 1.00 0.68 H new ATOM 0 HA SER A 273 8.715 11.034 2.996 1.00 0.75 H new ATOM 0 HB2 SER A 273 7.516 12.481 5.407 1.00 0.89 H new ATOM 0 HB3 SER A 273 9.221 12.178 5.140 1.00 0.89 H new ATOM 0 HG SER A 273 8.598 14.318 4.492 1.00 1.24 H new ATOM 853 N GLY A 274 6.735 9.144 4.341 1.00 0.80 N ATOM 854 CA GLY A 274 6.583 7.915 5.113 1.00 0.97 C ATOM 855 C GLY A 274 5.492 6.984 4.598 1.00 0.85 C ATOM 856 O GLY A 274 5.703 5.778 4.525 1.00 1.00 O ATOM 0 H GLY A 274 5.995 9.335 3.665 1.00 0.80 H new ATOM 0 HA2 GLY A 274 7.532 7.379 5.112 1.00 0.97 H new ATOM 0 HA3 GLY A 274 6.364 8.175 6.149 1.00 0.97 H new ATOM 860 N GLN A 275 4.326 7.526 4.246 1.00 0.69 N ATOM 861 CA GLN A 275 3.202 6.698 3.791 1.00 0.58 C ATOM 862 C GLN A 275 2.911 6.919 2.322 1.00 0.47 C ATOM 863 O GLN A 275 3.272 7.945 1.757 1.00 0.48 O ATOM 864 CB GLN A 275 1.967 6.951 4.648 1.00 0.64 C ATOM 865 CG GLN A 275 1.691 5.811 5.613 1.00 0.79 C ATOM 866 CD GLN A 275 2.932 5.336 6.353 1.00 1.11 C ATOM 867 OE1 GLN A 275 3.643 4.377 5.765 1.00 1.87 O flip ATOM 868 NE2 GLN A 275 3.248 5.821 7.438 1.00 1.33 N flip ATOM 0 H GLN A 275 4.133 8.527 4.266 1.00 0.69 H new ATOM 0 HA GLN A 275 3.485 5.652 3.908 1.00 0.58 H new ATOM 0 HB2 GLN A 275 2.101 7.875 5.210 1.00 0.64 H new ATOM 0 HB3 GLN A 275 1.102 7.094 4.001 1.00 0.64 H new ATOM 0 HG2 GLN A 275 0.944 6.131 6.339 1.00 0.79 H new ATOM 0 HG3 GLN A 275 1.262 4.974 5.062 1.00 0.79 H new ATOM 0 HE21 GLN A 275 2.675 6.555 7.855 1.00 1.33 H new ATOM 0 HE22 GLN A 275 4.083 5.489 7.921 1.00 1.33 H new ATOM 877 N TRP A 276 2.273 5.939 1.701 1.00 0.41 N ATOM 878 CA TRP A 276 2.130 5.933 0.255 1.00 0.33 C ATOM 879 C TRP A 276 0.765 5.443 -0.175 1.00 0.23 C ATOM 880 O TRP A 276 -0.100 5.150 0.652 1.00 0.22 O ATOM 881 CB TRP A 276 3.188 5.060 -0.408 1.00 0.41 C ATOM 882 CG TRP A 276 4.267 4.614 0.525 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.261 3.497 1.298 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.498 5.279 0.791 1.00 0.58 C ATOM 885 NE1 TRP A 276 5.403 3.442 2.047 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.187 4.521 1.744 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.078 6.441 0.314 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.432 4.895 2.232 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.315 6.819 0.793 1.00 0.69 C ATOM 890 CH2 TRP A 276 7.980 6.047 1.743 1.00 0.82 C ATOM 0 H TRP A 276 1.848 5.141 2.174 1.00 0.41 H new ATOM 0 HA TRP A 276 2.257 6.967 -0.064 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.705 4.182 -0.838 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.638 5.612 -1.233 1.00 0.41 H new ATOM 0 HD1 TRP A 276 3.471 2.761 1.318 1.00 0.98 H new ATOM 0 HE1 TRP A 276 5.633 2.714 2.723 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.569 7.044 -0.423 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 7.947 4.298 2.970 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.774 7.725 0.427 1.00 0.69 H new ATOM 0 HH2 TRP A 276 8.948 6.366 2.100 1.00 0.82 H new ATOM 901 N GLU A 277 0.603 5.347 -1.484 1.00 0.19 N ATOM 902 CA GLU A 277 -0.649 5.015 -2.093 1.00 0.16 C ATOM 903 C GLU A 277 -0.595 3.665 -2.716 1.00 0.19 C ATOM 904 O GLU A 277 0.297 3.368 -3.478 1.00 0.48 O ATOM 905 CB GLU A 277 -0.999 6.061 -3.130 1.00 0.15 C ATOM 906 CG GLU A 277 -1.782 7.209 -2.550 1.00 0.23 C ATOM 907 CD GLU A 277 -1.997 8.335 -3.540 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.400 8.049 -4.689 1.00 1.03 O ATOM 909 OE2 GLU A 277 -1.759 9.509 -3.186 1.00 0.92 O ATOM 0 H GLU A 277 1.357 5.502 -2.153 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.421 4.997 -1.323 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.083 6.442 -3.581 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.578 5.597 -3.928 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.750 6.845 -2.206 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.257 7.595 -1.676 1.00 0.23 H new ATOM 916 N GLY A 278 -1.547 2.851 -2.362 1.00 0.39 N ATOM 917 CA GLY A 278 -1.677 1.586 -2.965 1.00 0.34 C ATOM 918 C GLY A 278 -2.711 1.613 -4.051 1.00 0.28 C ATOM 919 O GLY A 278 -3.400 2.613 -4.257 1.00 0.32 O ATOM 0 H GLY A 278 -2.246 3.058 -1.648 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.717 1.276 -3.379 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.953 0.847 -2.213 1.00 0.34 H new ATOM 923 N GLU A 279 -2.809 0.511 -4.728 1.00 0.22 N ATOM 924 CA GLU A 279 -3.790 0.286 -5.728 1.00 0.18 C ATOM 925 C GLU A 279 -4.005 -1.201 -5.786 1.00 0.13 C ATOM 926 O GLU A 279 -3.091 -1.970 -6.081 1.00 0.14 O ATOM 927 CB GLU A 279 -3.379 0.811 -7.079 1.00 0.25 C ATOM 928 CG GLU A 279 -4.496 0.632 -8.068 1.00 0.27 C ATOM 929 CD GLU A 279 -4.315 -0.587 -8.945 1.00 0.66 C ATOM 930 OE1 GLU A 279 -3.311 -0.639 -9.689 1.00 1.08 O ATOM 931 OE2 GLU A 279 -5.159 -1.502 -8.864 1.00 0.99 O ATOM 0 H GLU A 279 -2.182 -0.282 -4.589 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.704 0.822 -5.472 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -3.117 1.866 -7.003 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.489 0.286 -7.426 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.441 0.550 -7.531 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.563 1.519 -8.697 1.00 0.27 H new ATOM 938 N CYS A 280 -5.183 -1.596 -5.418 1.00 0.10 N ATOM 939 CA CYS A 280 -5.492 -2.982 -5.255 1.00 0.12 C ATOM 940 C CYS A 280 -6.580 -3.414 -6.207 1.00 0.15 C ATOM 941 O CYS A 280 -7.757 -3.308 -5.884 1.00 0.19 O ATOM 942 CB CYS A 280 -5.960 -3.130 -3.841 1.00 0.17 C ATOM 943 SG CYS A 280 -5.536 -1.708 -2.853 1.00 1.52 S ATOM 0 H CYS A 280 -5.960 -0.965 -5.222 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.622 -3.604 -5.467 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.041 -3.273 -3.829 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.516 -4.023 -3.402 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.325 -1.328 -3.136 1.00 1.52 H new ATOM 949 N ASN A 281 -6.179 -3.891 -7.376 1.00 0.18 N ATOM 950 CA ASN A 281 -7.125 -4.366 -8.386 1.00 0.25 C ATOM 951 C ASN A 281 -8.294 -3.388 -8.551 1.00 0.23 C ATOM 952 O ASN A 281 -9.452 -3.794 -8.649 1.00 0.32 O ATOM 953 CB ASN A 281 -7.643 -5.766 -8.030 1.00 0.33 C ATOM 954 CG ASN A 281 -6.686 -6.881 -8.429 1.00 0.48 C ATOM 955 OD1 ASN A 281 -5.390 -6.605 -8.399 1.00 1.04 O flip ATOM 956 ND2 ASN A 281 -7.113 -7.990 -8.758 1.00 0.69 N flip ATOM 0 H ASN A 281 -5.200 -3.961 -7.654 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.596 -4.425 -9.337 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -7.822 -5.817 -6.956 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.603 -5.927 -8.521 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -8.117 -8.167 -8.770 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -6.462 -8.731 -9.018 1.00 0.69 H new ATOM 963 N GLY A 282 -7.978 -2.098 -8.573 1.00 0.17 N ATOM 964 CA GLY A 282 -8.982 -1.094 -8.840 1.00 0.18 C ATOM 965 C GLY A 282 -9.426 -0.302 -7.620 1.00 0.16 C ATOM 966 O GLY A 282 -10.379 0.470 -7.696 1.00 0.28 O ATOM 0 H GLY A 282 -7.040 -1.732 -8.410 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.594 -0.400 -9.586 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.854 -1.579 -9.279 1.00 0.18 H new ATOM 970 N LYS A 283 -8.747 -0.477 -6.496 1.00 0.10 N ATOM 971 CA LYS A 283 -8.870 0.477 -5.403 1.00 0.10 C ATOM 972 C LYS A 283 -7.571 1.200 -5.291 1.00 0.09 C ATOM 973 O LYS A 283 -6.523 0.606 -5.483 1.00 0.12 O ATOM 974 CB LYS A 283 -9.157 -0.127 -4.026 1.00 0.11 C ATOM 975 CG LYS A 283 -10.378 -1.023 -3.950 1.00 0.15 C ATOM 976 CD LYS A 283 -10.121 -2.398 -4.539 1.00 0.14 C ATOM 977 CE LYS A 283 -11.355 -3.259 -4.496 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.189 -4.511 -5.278 1.00 0.38 N ATOM 0 H LYS A 283 -8.115 -1.257 -6.317 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.725 1.106 -5.652 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.286 -0.701 -3.711 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.279 0.686 -3.310 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.685 -1.128 -2.909 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.205 -0.552 -4.481 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.784 -2.295 -5.571 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.317 -2.886 -3.988 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.588 -3.507 -3.460 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.203 -2.697 -4.888 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.062 -5.074 -5.221 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -10.992 -4.276 -6.272 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.397 -5.061 -4.889 1.00 0.38 H new ATOM 992 N ARG A 284 -7.628 2.464 -4.977 1.00 0.07 N ATOM 993 CA ARG A 284 -6.427 3.250 -4.816 1.00 0.09 C ATOM 994 C ARG A 284 -6.583 4.186 -3.645 1.00 0.11 C ATOM 995 O ARG A 284 -7.689 4.626 -3.344 1.00 0.13 O ATOM 996 CB ARG A 284 -6.115 4.038 -6.061 1.00 0.11 C ATOM 997 CG ARG A 284 -6.314 3.214 -7.298 1.00 0.20 C ATOM 998 CD ARG A 284 -5.596 3.813 -8.476 1.00 0.35 C ATOM 999 NE ARG A 284 -6.028 3.226 -9.743 1.00 0.68 N ATOM 1000 CZ ARG A 284 -5.491 3.526 -10.925 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -4.488 4.395 -11.005 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -5.953 2.951 -12.029 1.00 1.46 N ATOM 0 H ARG A 284 -8.496 2.978 -4.826 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.598 2.567 -4.632 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.754 4.920 -6.104 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.085 4.392 -6.020 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.951 2.201 -7.125 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.379 3.137 -7.519 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.771 4.889 -8.497 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.522 3.667 -8.357 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.787 2.545 -9.721 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -4.126 4.835 -10.159 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -4.080 4.621 -11.912 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -6.719 2.280 -11.972 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -5.542 3.181 -12.934 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.489 4.510 -3.007 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.568 5.295 -1.808 1.00 0.14 C ATOM 1018 C GLY A 285 -4.309 5.224 -1.003 1.00 0.15 C ATOM 1019 O GLY A 285 -3.348 4.664 -1.457 1.00 0.24 O ATOM 0 H GLY A 285 -4.546 4.246 -3.294 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.773 6.333 -2.068 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.405 4.947 -1.202 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.303 5.765 0.200 1.00 0.11 N ATOM 1024 CA HIS A 286 -3.096 5.787 0.994 1.00 0.12 C ATOM 1025 C HIS A 286 -3.334 5.201 2.351 1.00 0.12 C ATOM 1026 O HIS A 286 -4.372 5.434 2.964 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.552 7.209 1.122 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.600 8.283 1.089 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.516 8.495 2.103 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.885 9.192 0.131 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.322 9.488 1.764 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.954 9.928 0.575 1.00 0.23 N ATOM 0 H HIS A 286 -5.116 6.192 0.644 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.353 5.177 0.481 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.997 7.289 2.057 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.842 7.387 0.314 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.368 9.316 -0.809 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.139 9.872 2.357 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.395 10.694 0.067 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.339 4.471 2.817 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.489 3.613 3.978 1.00 0.11 C ATOM 1043 C PHE A 287 -1.130 3.048 4.387 1.00 0.15 C ATOM 1044 O PHE A 287 -0.459 2.416 3.571 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.428 2.439 3.658 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.918 2.673 3.818 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.438 3.476 4.824 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.798 2.074 2.937 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.802 3.670 4.940 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.158 2.263 3.044 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.663 3.065 4.047 1.00 0.12 C ATOM 0 H PHE A 287 -1.407 4.455 2.404 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.908 4.208 4.790 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.244 2.132 2.629 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.148 1.601 4.296 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.769 3.955 5.524 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.412 1.445 2.149 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.194 4.295 5.729 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.828 1.785 2.345 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.729 3.219 4.133 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.699 3.297 5.635 1.00 0.17 N ATOM 1062 CA PRO A 288 0.522 2.728 6.204 1.00 0.23 C ATOM 1063 C PRO A 288 0.732 1.242 5.937 1.00 0.18 C ATOM 1064 O PRO A 288 -0.198 0.484 5.652 1.00 0.16 O ATOM 1065 CB PRO A 288 0.338 2.913 7.714 1.00 0.35 C ATOM 1066 CG PRO A 288 -0.844 3.806 7.908 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.282 4.278 6.554 1.00 0.23 C ATOM 0 HA PRO A 288 1.387 3.220 5.758 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.179 1.952 8.203 1.00 0.35 H new ATOM 0 HB3 PRO A 288 1.230 3.353 8.159 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.652 3.270 8.406 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -0.584 4.653 8.543 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.369 4.306 6.472 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -0.921 5.285 6.346 1.00 0.23 H new ATOM 1075 N PHE A 289 1.988 0.845 6.051 1.00 0.23 N ATOM 1076 CA PHE A 289 2.378 -0.558 5.985 1.00 0.26 C ATOM 1077 C PHE A 289 1.991 -1.279 7.268 1.00 0.23 C ATOM 1078 O PHE A 289 2.088 -2.501 7.361 1.00 0.26 O ATOM 1079 CB PHE A 289 3.885 -0.668 5.733 1.00 0.38 C ATOM 1080 CG PHE A 289 4.491 -2.016 6.026 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.498 -3.003 5.064 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.068 -2.287 7.257 1.00 0.32 C ATOM 1083 CE1 PHE A 289 5.066 -4.237 5.317 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.633 -3.520 7.519 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.634 -4.495 6.545 1.00 0.26 C ATOM 0 H PHE A 289 2.769 1.485 6.192 1.00 0.23 H new ATOM 0 HA PHE A 289 1.851 -1.034 5.158 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.081 -0.419 4.690 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.394 0.080 6.341 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.053 -2.809 4.099 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.076 -1.524 8.021 1.00 0.32 H new ATOM 0 HE1 PHE A 289 5.065 -4.999 4.552 1.00 0.26 H new ATOM 0 HE2 PHE A 289 6.073 -3.719 8.485 1.00 0.31 H new ATOM 0 HZ PHE A 289 6.079 -5.459 6.744 1.00 0.26 H new ATOM 1095 N THR A 290 1.493 -0.510 8.230 1.00 0.24 N ATOM 1096 CA THR A 290 1.151 -0.999 9.555 1.00 0.27 C ATOM 1097 C THR A 290 0.126 -2.137 9.534 1.00 0.23 C ATOM 1098 O THR A 290 -0.281 -2.624 10.589 1.00 0.28 O ATOM 1099 CB THR A 290 0.600 0.149 10.413 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.460 0.813 9.716 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.691 1.150 10.754 1.00 0.44 C ATOM 0 H THR A 290 1.314 0.486 8.106 1.00 0.24 H new ATOM 0 HA THR A 290 2.072 -1.396 9.981 1.00 0.27 H new ATOM 0 HB THR A 290 0.219 -0.275 11.342 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.808 1.543 10.269 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.272 1.952 11.362 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.483 0.649 11.310 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.101 1.568 9.835 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.290 -2.566 8.344 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.336 -3.557 8.232 1.00 0.16 C ATOM 1111 C HIS A 291 -1.283 -4.249 6.883 1.00 0.14 C ATOM 1112 O HIS A 291 -2.318 -4.636 6.333 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.732 -2.958 8.471 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.936 -1.541 8.018 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.580 -0.512 8.618 1.00 0.40 N flip ATOM 1116 CD2 HIS A 291 -2.527 -1.070 6.796 1.00 0.94 C flip ATOM 1117 CE1 HIS A 291 -3.560 0.551 7.748 1.00 0.19 C flip ATOM 1118 NE2 HIS A 291 -2.917 0.184 6.661 1.00 0.77 N flip ATOM 0 H HIS A 291 0.085 -2.240 7.453 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.158 -4.295 9.014 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.465 -3.587 7.966 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.948 -3.010 9.538 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -4.003 -0.524 9.546 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -1.974 -1.636 6.061 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -3.998 1.522 7.926 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.085 -4.382 6.331 1.00 0.16 N ATOM 1128 CA VAL A 292 0.109 -5.218 5.158 1.00 0.15 C ATOM 1129 C VAL A 292 1.256 -6.159 5.337 1.00 0.19 C ATOM 1130 O VAL A 292 2.287 -5.847 5.932 1.00 0.22 O ATOM 1131 CB VAL A 292 0.328 -4.394 3.877 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.890 -3.572 3.569 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.539 -3.504 4.010 1.00 0.31 C ATOM 0 H VAL A 292 0.760 -3.925 6.674 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.813 -5.789 5.046 1.00 0.15 H new ATOM 0 HB VAL A 292 0.502 -5.087 3.054 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.719 -2.995 2.660 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.747 -4.231 3.425 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.090 -2.893 4.398 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.673 -2.932 3.092 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.398 -2.820 4.847 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.423 -4.117 4.188 1.00 0.31 H new ATOM 1143 N ARG A 293 1.001 -7.336 4.856 1.00 0.22 N ATOM 1144 CA ARG A 293 2.016 -8.296 4.585 1.00 0.21 C ATOM 1145 C ARG A 293 2.348 -8.035 3.157 1.00 0.32 C ATOM 1146 O ARG A 293 1.578 -7.363 2.505 1.00 0.70 O ATOM 1147 CB ARG A 293 1.472 -9.700 4.716 1.00 0.19 C ATOM 1148 CG ARG A 293 0.315 -9.833 5.674 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.523 -11.018 5.288 1.00 0.26 C ATOM 1150 NE ARG A 293 0.005 -12.278 5.801 1.00 0.27 N ATOM 1151 CZ ARG A 293 -0.732 -13.375 5.980 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -2.026 -13.371 5.676 1.00 1.09 N ATOM 1153 NH2 ARG A 293 -0.177 -14.474 6.469 1.00 0.60 N ATOM 0 H ARG A 293 0.059 -7.660 4.637 1.00 0.22 H new ATOM 0 HA ARG A 293 2.864 -8.217 5.265 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.155 -10.047 3.732 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.276 -10.359 5.043 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.685 -9.952 6.692 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.290 -8.926 5.658 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.537 -10.876 5.661 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -0.588 -11.072 4.201 1.00 0.26 H new ATOM 0 HE ARG A 293 0.996 -12.322 6.037 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -2.460 -12.526 5.304 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -2.585 -14.213 5.815 1.00 1.09 H new ATOM 0 HH21 ARG A 293 0.814 -14.481 6.709 1.00 0.60 H new ATOM 0 HH22 ARG A 293 -0.741 -15.313 6.606 1.00 0.60 H new ATOM 1167 N LEU A 294 3.466 -8.453 2.662 1.00 0.18 N ATOM 1168 CA LEU A 294 3.686 -8.283 1.243 1.00 0.18 C ATOM 1169 C LEU A 294 3.709 -9.587 0.463 1.00 0.21 C ATOM 1170 O LEU A 294 3.578 -10.682 1.015 1.00 0.30 O ATOM 1171 CB LEU A 294 4.957 -7.518 0.936 1.00 0.22 C ATOM 1172 CG LEU A 294 5.320 -6.388 1.894 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.525 -5.636 1.376 1.00 0.66 C ATOM 1174 CD2 LEU A 294 4.152 -5.448 2.087 1.00 0.58 C ATOM 0 H LEU A 294 4.221 -8.899 3.184 1.00 0.18 H new ATOM 0 HA LEU A 294 2.822 -7.704 0.916 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.785 -8.227 0.915 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.870 -7.100 -0.067 1.00 0.22 H new ATOM 0 HG LEU A 294 5.566 -6.823 2.863 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.776 -4.831 2.067 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.371 -6.318 1.291 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.298 -5.215 0.396 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.436 -4.651 2.774 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.870 -5.016 1.127 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.306 -5.998 2.499 1.00 0.58 H new ATOM 1186 N LEU A 295 3.870 -9.424 -0.844 1.00 0.20 N ATOM 1187 CA LEU A 295 3.901 -10.488 -1.798 1.00 0.22 C ATOM 1188 C LEU A 295 4.970 -10.197 -2.847 1.00 0.28 C ATOM 1189 O LEU A 295 5.818 -9.324 -2.663 1.00 0.31 O ATOM 1190 CB LEU A 295 2.567 -10.529 -2.501 1.00 0.23 C ATOM 1191 CG LEU A 295 1.831 -11.854 -2.477 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.116 -11.986 -1.157 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.855 -11.951 -3.639 1.00 0.28 C ATOM 0 H LEU A 295 3.986 -8.504 -1.270 1.00 0.20 H new ATOM 0 HA LEU A 295 4.114 -11.430 -1.293 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.922 -9.772 -2.054 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.721 -10.243 -3.541 1.00 0.23 H new ATOM 0 HG LEU A 295 2.544 -12.671 -2.585 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.582 -12.936 -1.126 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.842 -11.951 -0.345 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.406 -11.167 -1.044 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.338 -12.910 -3.601 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.126 -11.143 -3.570 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.400 -11.869 -4.580 1.00 0.28 H new ATOM 1205 N ASP A 296 4.862 -10.867 -3.984 1.00 0.39 N ATOM 1206 CA ASP A 296 5.815 -10.709 -5.059 1.00 0.50 C ATOM 1207 C ASP A 296 5.127 -10.147 -6.293 1.00 0.73 C ATOM 1208 O ASP A 296 4.595 -10.896 -7.110 1.00 1.81 O ATOM 1209 CB ASP A 296 6.506 -12.038 -5.390 1.00 0.84 C ATOM 1210 CG ASP A 296 7.444 -12.493 -4.293 1.00 1.76 C ATOM 1211 OD1 ASP A 296 8.555 -11.930 -4.179 1.00 2.44 O ATOM 1212 OD2 ASP A 296 7.076 -13.412 -3.534 1.00 2.42 O ATOM 0 H ASP A 296 4.113 -11.531 -4.182 1.00 0.39 H new ATOM 0 HA ASP A 296 6.581 -10.007 -4.731 1.00 0.50 H new ATOM 0 HB2 ASP A 296 5.750 -12.805 -5.558 1.00 0.84 H new ATOM 0 HB3 ASP A 296 7.064 -11.932 -6.320 1.00 0.84 H new ATOM 1217 N GLN A 297 5.112 -8.813 -6.350 1.00 0.53 N ATOM 1218 CA GLN A 297 4.688 -8.009 -7.524 1.00 0.41 C ATOM 1219 C GLN A 297 3.560 -8.656 -8.327 1.00 0.64 C ATOM 1220 O GLN A 297 2.386 -8.396 -8.015 1.00 1.25 O ATOM 1221 CB GLN A 297 5.895 -7.754 -8.429 1.00 0.51 C ATOM 1222 CG GLN A 297 6.884 -8.903 -8.428 1.00 0.88 C ATOM 1223 CD GLN A 297 8.083 -8.659 -9.303 1.00 0.87 C ATOM 1224 OE1 GLN A 297 8.067 -8.930 -10.504 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.144 -8.180 -8.687 1.00 1.02 N ATOM 1226 OXT GLN A 297 3.853 -9.403 -9.286 1.00 1.41 O ATOM 0 H GLN A 297 5.402 -8.234 -5.562 1.00 0.53 H new ATOM 0 HA GLN A 297 4.292 -7.069 -7.140 1.00 0.41 H new ATOM 0 HB2 GLN A 297 5.549 -7.580 -9.448 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.401 -6.845 -8.104 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.219 -9.083 -7.407 1.00 0.88 H new ATOM 0 HG3 GLN A 297 6.378 -9.809 -8.762 1.00 0.88 H new ATOM 0 HE21 GLN A 297 9.104 -7.972 -7.689 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.006 -8.017 -9.208 1.00 1.02 H new TER 1235 GLN A 297